G4VJY4_SCHMA Loading...

Phosphatidylinositol-3-phosphatase SAC1

AlphaFold DB , UniProt , Accession G4VJY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 648 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
1M75Confident92.9Very high174 Ų17443.4 Ų43.486%0.85721%0.213SC*.  0135.20-89.5-174.6-79.600105T132 D194M1-T132 HydrophobicContact SD-CG2 4.35Å; M1-D194 PolarHBondContact N-OD1 3.14Å; M1-D194 WeakPolarHBondContact O-CB 3.46Å; M1-D194 VanDerWaalsContact O-CG 3.23Å
2V88.1Confident92.8Very high11 Ų1144.8 Ų44.87%0.06723%0.228CC..  trans-78140.4-176.7-172.40000109.3S131 D194 C196 V197V2-S131 PolarHBondContact N-O 2.86Å; V2-S131 WeakPolarHBondContact O-CB 3.32Å; V2-D194 CarbonylContact C-O 3.56Å; V2-D194 WeakPolarHBondContact CA-O 3.46Å; V2-D194 VanDerWaalsContact CG1-O 3.3Å; V2-D194 WeakPolarHBondContact CG1-O 3.41Å; V2-C196 WeakPolarHBondContact CG2-O 3.49Å; V2-V197 HydrophobicContact CG1-CB 3.85Å; V2-V197 HydrophobicContact CG1-CG2 4.36Å
3Y92Very high92.8Very high56 Ų5645.7 Ų45.722%0.2223%0.234CC..  trans-65.1140.1174.5-66-77.7000110.2Y6 A19 D194 Y195Y3-Y6 WeakPolarHBondContact CB-OH 3.24Å; Y3-Y6 WeakPolarHBondContact O-CE2 3.48Å; Y3-Y6 PolarHBondContact O-OH 2.9Å; Y3-A19 HydrophobicContact CD1-CB 3.71Å; Y3-A19 HydrophobicContact CD2-CB 3.56Å; Y3-A19 HydrophobicContact CE1-CB 4.12Å; Y3-A19 HydrophobicContact CE2-CB 4.01Å; Y3-A19 HydrophobicContact CG-CB 3.41Å; Y3-A19 VanDerWaalsContact CG-CB 3.41Å; Y3-D194 HydrophobicContact CD2-CB 4Å; Y3-D194 VanDerWaalsContact CD2-O 3.3Å; Y3-D194 WeakPolarHBondContact CD2-O 3.05Å; Y3-D194 HydrophobicContact CE2-CB 3.85Å; Y3-D194 PolarHBondContact N-O 3.23Å; Y3-Y195 HydrophobicContact CD2-CD2 4.41Å; Y3-Y195 HydrophobicContact CD2-CE1 4.23Å; Y3-Y195 HydrophobicContact CD2-CE2 4.11Å; Y3-Y195 HydrophobicContact CE2-CD2 4.41Å; Y3-Y195 HydrophobicContact CE2-CE1 4.43Å; Y3-Y195 AromaticContact CE2-CE2 3.75Å; Y3-Y195 HydrophobicContact CE2-CE2 3.75Å; Y3-Y195 AromaticContact CE2-CZ 3.76Å
4D91.6Very high93Very high67 Ų6746.8 Ų46.836%0.35824%0.237SC..  trans-104.7-14.9-17477.3-45000113.5Y54 R74 S131D4-Y54 CarbonylContact O-C 3.55Å; D4-Y54 WeakPolarHBondContact O-CA 3.2Å; D4-R74 VanDerWaalsContact O-CZ 3.24Å; D4-R74 PolarHBondContact O-NH1 2.97Å; D4-R74 PolarHBondContact O-NH2 3.47Å; D4-R74 IonicContact OD2-NH2 2.96Å; D4-R74 PolarHBondContact OD2-NH2 3.48Å; D4-S131 WeakPolarHBondContact CB-OG 3.39Å
5E96.6Very high93.2Very high61 Ų6144.1 Ų44.129%0.28522%0.223SC..  trans-141.8139.9177.8-170.9171.4143.700111.2L20 T52 Y54E5-L20 HydrophobicContact CB-CB 4.25Å; E5-L20 HydrophobicContact CB-CD2 4.33Å; E5-L20 PolarHBondContact O-N 2.75Å; E5-T52 HydrophobicContact CG-CG2 3.63Å; E5-Y54 HydrophobicContact CG-CD1 4.41Å; E5-Y54 HydrophobicContact CG-CE1 4.46Å
6Y97.4Very high93.4Very high0 Ų042.2 Ų42.20%021%0.213CC..EExtended strand (participates in β ladder)trans-138.9147.6179.3-43.8-113000110Y3 I17 N18 A19 T52 I53 I56 Y195Y3-Y6 WeakPolarHBondContact CB-OH 3.24Å; Y3-Y6 WeakPolarHBondContact O-CE2 3.48Å; Y3-Y6 PolarHBondContact O-OH 2.9Å; Y6-I17 HydrophobicContact CD1-CG2 4.1Å; Y6-N18 CarbonylContact C-O 3.57Å; Y6-N18 VanDerWaalsContact CA-O 3.25Å; Y6-N18 WeakPolarHBondContact CA-O 3.38Å; Y6-N18 WeakPolarHBondContact CB-O 3.31Å; Y6-A19 HydrophobicContact CD1-CB 3.53Å; Y6-A19 HydrophobicContact CE1-CB 3.72Å; Y6-A19 HydrophobicContact CG-CB 4.4Å; Y6-T52 WeakPolarHBondContact O-CA 3.34Å; Y6-I53 HydrophobicContact CD2-CG1 4.24Å; Y6-I53 HydrophobicContact CG-CG1 4.23Å; Y6-I53 PolarHBondContact N-O 3.4Å; Y6-I53 PolarHBondContact O-N 3.29Å; Y6-I56 HydrophobicContact CE1-CD1 4.45Å; Y6-Y195 HydrophobicContact CD1-CD1 4.35Å; Y6-Y195 HydrophobicContact CD1-CE1 4.41Å; Y6-Y195 AromaticContact CE1-CD1 3.62Å; Y6-Y195 HydrophobicContact CE1-CD1 3.62Å; Y6-Y195 AromaticContact CE1-CE1 3.98Å; Y6-Y195 HydrophobicContact CE1-CE1 3.98Å
7T96.9Very high93.6Very high22 Ų2239.7 Ų39.714%0.13520%0.2CC..EExtended strand (participates in β ladder)trans-95.4121.7164.8-58.40000109.4F9 I17 N18 K50T7-F9 HydrophobicContact CG2-CD2 3.85Å; T7-F9 HydrophobicContact CG2-CE1 4.12Å; T7-F9 HydrophobicContact CG2-CE2 3.29Å; T7-F9 HydrophobicContact CG2-CG 4.48Å; T7-F9 HydrophobicContact CG2-CZ 3.45Å; T7-F9 VanDerWaalsContact CG2-CZ 3.45Å; T7-I17 WeakPolarHBondContact O-CA 3.41Å; T7-N18 PolarHBondContact N-O 2.83Å; T7-N18 PolarHBondContact O-N 3.41Å; T7-K50 HydrophobicContact CG2-CD 4.09Å; T7-K50 VanDerWaalsContact CG2-CE 3.49Å; T7-K50 HydrophobicContact CG2-CG 3.71Å
8L97.4Very high93.7Very high4 Ų438.9 Ų38.92%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-104.7121171.3169.866.8000109.3I10 F16 I17 H51 I53 L94L8-I10 HydrophobicContact CD1-CG1 4.31Å; L8-I10 HydrophobicContact CD2-CD1 4.02Å; L8-I10 HydrophobicContact CD2-CG1 4.1Å; L8-I10 HydrophobicContact CG-CD1 4.4Å; L8-I10 HydrophobicContact CG-CG1 3.96Å; L8-F16 CarbonylContact C-O 3.58Å; L8-F16 WeakPolarHBondContact CA-O 3.32Å; L8-I17 HydrophobicContact CD1-CD1 4.48Å; L8-I17 HydrophobicContact CD1-CG1 3.7Å; L8-H51 HydrophobicContact CB-CB 4.4Å; L8-H51 PolarHBondContact N-O 2.89Å; L8-H51 PolarHBondContact O-N 2.84Å; L8-I53 HydrophobicContact CB-CD1 4.21Å; L8-I53 HydrophobicContact CB-CG1 4.44Å; L8-I53 HydrophobicContact CB-CG2 4.23Å; L8-I53 HydrophobicContact CD2-CG2 4.17Å; L8-L94 HydrophobicContact CD2-CD1 3.55Å
9F97.1Very high93.7Very high35 Ų3536.9 Ų36.915%0.15419%0.187CC..EExtended strand (participates in β ladder)trans-102.9127170.4-59-92.6000109.6T7 Y15 F16 I44 A48 K49 K50T7-F9 HydrophobicContact CG2-CD2 3.85Å; T7-F9 HydrophobicContact CG2-CE1 4.12Å; T7-F9 HydrophobicContact CG2-CE2 3.29Å; T7-F9 HydrophobicContact CG2-CG 4.48Å; T7-F9 HydrophobicContact CG2-CZ 3.45Å; T7-F9 VanDerWaalsContact CG2-CZ 3.45Å; F9-Y15 WeakPolarHBondContact O-CA 3.24Å; F9-F16 HydrophobicContact CB-CB 4.14Å; F9-F16 HydrophobicContact CB-CD2 4.16Å; F9-F16 HydrophobicContact CD2-CB 4.26Å; F9-F16 PolarHBondContact N-O 2.82Å; F9-F16 PolarHBondContact O-N 3.04Å; F9-I44 HydrophobicContact CB-CG2 4.12Å; F9-I44 HydrophobicContact CD1-CD1 4.49Å; F9-I44 HydrophobicContact CD1-CG2 3.89Å; F9-I44 HydrophobicContact CD2-CD1 3.73Å; F9-I44 HydrophobicContact CE1-CD1 4.45Å; F9-I44 HydrophobicContact CE1-CG2 4.42Å; F9-I44 HydrophobicContact CE2-CD1 3.68Å; F9-I44 HydrophobicContact CG-CD1 4.13Å; F9-I44 HydrophobicContact CG-CG2 4Å; F9-I44 HydrophobicContact CZ-CD1 4.05Å; F9-A48 HydrophobicContact CB-CB 4.18Å; F9-A48 HydrophobicContact CD1-CB 4.43Å; F9-K49 WeakPolarHBondContact CA-O 3.15Å; F9-K50 HydrophobicContact CD1-CB 4.05Å; F9-K50 HydrophobicContact CD1-CG 4.15Å; F9-K50 HydrophobicContact CE1-CB 4.05Å; F9-K50 HydrophobicContact CE1-CD 3.84Å; F9-K50 HydrophobicContact CE1-CG 3.8Å; F9-K50 HydrophobicContact CZ-CD 4.25Å; F9-K50 HydrophobicContact CZ-CG 4.35Å
10I96.1Very high93.6Very high39 Ų3940.3 Ų40.320%0.221%0.205CC..EExtended strand (participates in β ladder)trans-109.1122.8-178.8-64.1179.6000110.1L8 Y15 A48 K49 L94L8-I10 HydrophobicContact CD1-CG1 4.31Å; L8-I10 HydrophobicContact CD2-CD1 4.02Å; L8-I10 HydrophobicContact CD2-CG1 4.1Å; L8-I10 HydrophobicContact CG-CD1 4.4Å; L8-I10 HydrophobicContact CG-CG1 3.96Å; I10-Y15 HydrophobicContact CB-CD1 4.29Å; I10-Y15 HydrophobicContact CB-CE1 4.35Å; I10-Y15 HydrophobicContact CG1-CD1 4Å; I10-Y15 HydrophobicContact CG1-CE1 4.14Å; I10-Y15 HydrophobicContact CG2-CD1 4.14Å; I10-Y15 HydrophobicContact CG2-CE1 3.76Å; I10-A48 WeakPolarHBondContact O-CA 3.49Å; I10-K49 HydrophobicContact CB-CB 4.43Å; I10-K49 PolarHBondContact N-O 2.89Å; I10-K49 PolarHBondContact O-N 2.75Å; I10-L94 HydrophobicContact CD1-CD2 4.17Å
11T94.3Very high93.3Very high8 Ų842.1 Ų42.15%0.04923%0.233CC..  trans-123.7168168.7710000110.2D13 H14 F16 R30 P45 A48T11-D13 PolarHBondContact O-N 2.7Å; T11-H14 PolarHBondContact N-O 3.14Å; T11-H14 WeakPolarHBondContact OG1-CA 3.01Å; T11-H14 PolarHBondContact OG1-N 2.84Å; T11-H14 PolarHBondContact OG1-O 3.38Å; T11-F16 HydrophobicContact CG2-CE2 4.1Å; T11-R30 PolarHBondContact O-NH1 2.85Å; T11-P45 HydrophobicContact CG2-CB 4.47Å; T11-P45 HydrophobicContact CG2-CG 4.09Å; T11-A48 HydrophobicContact CG2-CB 3.54Å
12P90.9Very high94Very high61 Ų6134.6 Ų34.640%0.39620%0.198SC..SBendtrans-57.6-36.4173.8-26.836.8000113.3R30P12-R30 PolarHBondContact O-NH1 3.34Å
13D93.1Very high94Very high56 Ų5642.3 Ų42.330%0.29923%0.231SC..SBendtrans-104.3-22.2-170.6-55.1-46.2000113.5T11 R30 V31 R98T11-D13 PolarHBondContact O-N 2.7Å; D13-R30 VanDerWaalsContact O-CB 3.27Å; D13-R30 WeakPolarHBondContact O-CB 3.42Å; D13-R30 PolarHBondContact O-N 2.68Å; D13-V31 HydrophobicContact CB-CG2 4.45Å; D13-R98 IonicContact OD1-CZ 3.21Å; D13-R98 IonicContact OD1-NE 3.7Å; D13-R98 IonicContact OD1-NH1 2.66Å; D13-R98 PolarHBondContact OD1-NH1 3.26Å; D13-R98 IonicContact OD1-NH2 3.9Å
14H95Very high93.9Very high61 Ų6139.7 Ų39.728%0.28222%0.22SC..EExtended strand (participates in β ladder)trans-142.1148.9-175.7-62.685.2000112.9T11 F16 I28T11-H14 PolarHBondContact N-O 3.14Å; T11-H14 WeakPolarHBondContact OG1-CA 3.01Å; T11-H14 PolarHBondContact OG1-N 2.84Å; T11-H14 PolarHBondContact OG1-O 3.38Å; H14-F16 HydrophobicContact CB-CD2 4.23Å; H14-F16 HydrophobicContact CB-CE1 4.27Å; H14-F16 HydrophobicContact CB-CE2 3.49Å; H14-F16 VanDerWaalsContact CB-CE2 3.49Å; H14-F16 HydrophobicContact CB-CZ 3.5Å; H14-F16 AromaticContact CG-CZ 3.96Å; H14-I28 CarbonylContact C-O 3.54Å; H14-I28 VanDerWaalsContact CA-O 3.26Å; H14-I28 WeakPolarHBondContact CA-O 3.01Å
15Y96.7Very high93.9Very high7 Ų737.3 Ų37.33%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-107.5132.8157.6-55.4-42.4000109.6F9 I10 I27 I28 R30 L94 P95F9-Y15 WeakPolarHBondContact O-CA 3.24Å; I10-Y15 HydrophobicContact CB-CD1 4.29Å; I10-Y15 HydrophobicContact CB-CE1 4.35Å; I10-Y15 HydrophobicContact CG1-CD1 4Å; I10-Y15 HydrophobicContact CG1-CE1 4.14Å; I10-Y15 HydrophobicContact CG2-CD1 4.14Å; I10-Y15 HydrophobicContact CG2-CE1 3.76Å; Y15-I27 CarbonylContact O-C 3.54Å; Y15-I27 WeakPolarHBondContact O-CA 3.31Å; Y15-I28 HydrophobicContact CD2-CB 4.31Å; Y15-I28 HydrophobicContact CD2-CD1 4.35Å; Y15-I28 HydrophobicContact CD2-CG2 4.32Å; Y15-I28 PolarHBondContact N-O 3.44Å; Y15-I28 PolarHBondContact O-N 2.98Å; Y15-R30 HydrophobicContact CD2-CG 4.33Å; Y15-R30 HydrophobicContact CE2-CG 4.25Å; Y15-R30 VanDerWaalsContact CZ-NE 3.34Å; Y15-R30 PolarHBondContact OH-NE 3.4Å; Y15-L94 HydrophobicContact CE2-CB 3.97Å; Y15-P95 VanDerWaalsContact CE2-O 3.25Å; Y15-P95 WeakPolarHBondContact CE2-O 3.23Å; Y15-P95 PolarHBondContact OH-O 3.49Å
16F96.5Very high93.8Very high13 Ų1334.4 Ų34.46%0.05719%0.193CC..EExtended strand (participates in β ladder)trans-115.5124174-50-96.2000108.9L8 F9 T11 H14 I26 I27 P42 I44L8-F16 CarbonylContact C-O 3.58Å; L8-F16 WeakPolarHBondContact CA-O 3.32Å; F9-F16 HydrophobicContact CB-CB 4.14Å; F9-F16 HydrophobicContact CB-CD2 4.16Å; F9-F16 HydrophobicContact CD2-CB 4.26Å; F9-F16 PolarHBondContact N-O 2.82Å; F9-F16 PolarHBondContact O-N 3.04Å; T11-F16 HydrophobicContact CG2-CE2 4.1Å; H14-F16 HydrophobicContact CB-CD2 4.23Å; H14-F16 HydrophobicContact CB-CE1 4.27Å; H14-F16 HydrophobicContact CB-CE2 3.49Å; H14-F16 VanDerWaalsContact CB-CE2 3.49Å; H14-F16 HydrophobicContact CB-CZ 3.5Å; H14-F16 AromaticContact CG-CZ 3.96Å; F16-I26 CarbonylContact C-O 3.57Å; F16-I26 WeakPolarHBondContact CA-O 3.33Å; F16-I27 HydrophobicContact CD1-CB 4.39Å; F16-I27 HydrophobicContact CD1-CD1 4.05Å; F16-I27 HydrophobicContact CD1-CG1 3.86Å; F16-I27 HydrophobicContact CD1-CG2 3.9Å; F16-I27 HydrophobicContact CE1-CD1 4.11Å; F16-I27 HydrophobicContact CE1-CG1 4.3Å; F16-I27 HydrophobicContact CE1-CG2 3.77Å; F16-P42 HydrophobicContact CD1-CB 4.23Å; F16-P42 HydrophobicContact CD1-CG 3.76Å; F16-P42 HydrophobicContact CE1-CB 4.08Å; F16-P42 HydrophobicContact CE1-CG 4.12Å; F16-I44 HydrophobicContact CD1-CG1 4.39Å; F16-I44 HydrophobicContact CD2-CG1 4.41Å; F16-I44 HydrophobicContact CG-CG1 4.23Å
17I96.4Very high93.7Very high0 Ų035 Ų350%020%0.197CC..EExtended strand (participates in β ladder)trans-117.8121.2179.7-55.1166.7000108.1Y6 T7 L8 I26 I28 L68 W172Y6-I17 HydrophobicContact CD1-CG2 4.1Å; T7-I17 WeakPolarHBondContact O-CA 3.41Å; L8-I17 HydrophobicContact CD1-CD1 4.48Å; L8-I17 HydrophobicContact CD1-CG1 3.7Å; I17-I26 HydrophobicContact CB-CB 4.24Å; I17-I26 PolarHBondContact N-O 2.86Å; I17-I26 PolarHBondContact O-N 3.43Å; I17-I28 HydrophobicContact CD1-CD1 4.2Å; I17-L68 HydrophobicContact CD1-CD2 3.58Å; I17-W172 HydrophobicContact CD1-CH2 4.44Å
18N94.9Very high93.6Very high26 Ų2634 Ų3414%0.13919%0.19CC..EExtended strand (participates in β ladder)trans-124.1125.7173.9174.9-106.1000109.4Y6 T7 S22 A24 F25Y6-N18 CarbonylContact C-O 3.57Å; Y6-N18 VanDerWaalsContact CA-O 3.25Å; Y6-N18 WeakPolarHBondContact CA-O 3.38Å; Y6-N18 WeakPolarHBondContact CB-O 3.31Å; T7-N18 PolarHBondContact N-O 2.83Å; T7-N18 PolarHBondContact O-N 3.41Å; N18-S22 PolarHBondContact ND2-O 3.16Å; N18-A24 PolarHBondContact ND2-O 3.5Å; N18-F25 HydrophobicContact CB-CD1 3.7Å; N18-F25 HydrophobicContact CB-CE1 3.54Å; N18-F25 HydrophobicContact CB-CG 4.38Å; N18-F25 HydrophobicContact CB-CZ 4.1Å
19A94.6Very high93.5Very high0 Ų035.2 Ų35.20%020%0.197CC..EExtended strand (participates in β ladder)trans-77.6140174.800000110Y3 Y6 G21 S22 Y195Y3-A19 HydrophobicContact CD1-CB 3.71Å; Y3-A19 HydrophobicContact CD2-CB 3.56Å; Y3-A19 HydrophobicContact CE1-CB 4.12Å; Y3-A19 HydrophobicContact CE2-CB 4.01Å; Y3-A19 HydrophobicContact CG-CB 3.41Å; Y3-A19 VanDerWaalsContact CG-CB 3.41Å; Y6-A19 HydrophobicContact CD1-CB 3.53Å; Y6-A19 HydrophobicContact CE1-CB 3.72Å; Y6-A19 HydrophobicContact CG-CB 4.4Å; A19-G21 PolarHBondContact O-N 3.25Å; A19-S22 WeakPolarHBondContact O-CB 3.48Å; A19-S22 PolarHBondContact O-N 3.06Å; A19-Y195 HydrophobicContact CB-CE1 3.89Å
20L92.3Very high93.3Very high105 Ų10535 Ų3555%0.5520%0.195SC..THydrogen-bonded Turntrans-59.1123.9179.1-176.264.8000110E5 S22E5-L20 HydrophobicContact CB-CB 4.25Å; E5-L20 HydrophobicContact CB-CD2 4.33Å; E5-L20 PolarHBondContact O-N 2.75Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 2.78Å
21G87.4Confident93.1Very high78 Ų7837.9 Ų37.980%0.80421%0.214SC*.THydrogen-bonded Turntrans84.8-7.1-176.500000115.2A19A19-G21 PolarHBondContact O-N 3.25Å
22S88.8Confident93Very high16 Ų1640 Ų4011%0.11223%0.23CC..  trans-90.4143173.7-173.50000111.5N18 A19 L20 A24 Y195N18-S22 PolarHBondContact ND2-O 3.16Å; A19-S22 WeakPolarHBondContact O-CB 3.48Å; A19-S22 PolarHBondContact O-N 3.06Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 2.78Å; S22-A24 VanDerWaalsContact C-N 3.35Å; S22-A24 PolarHBondContact OG-N 3.26Å; S22-A24 VanDerWaalsContact OG-N 3.14Å; S22-Y195 PolarHBondContact OG-OH 2.94Å; S22-Y195 VanDerWaalsContact OG-OH 3.08Å
23K87.3Confident92.9Very high173 Ų17340 Ų4075%0.75222%0.224SC*.  trans-84.1-12168.9-64.1-173.8179.6-176.90113
24A89.9Confident92.8Very high1 Ų142.2 Ų42.21%0.00823%0.233CC..  trans-81.9134.8-177.500000111.2N18 S22 V37 E38 F39 W190N18-A24 PolarHBondContact ND2-O 3.5Å; S22-A24 VanDerWaalsContact C-N 3.35Å; S22-A24 PolarHBondContact OG-N 3.26Å; S22-A24 VanDerWaalsContact OG-N 3.14Å; A24-V37 HydrophobicContact CB-CG1 4.24Å; A24-E38 CarbonylContact C-O 3.52Å; A24-E38 WeakPolarHBondContact CA-O 3.32Å; A24-F39 HydrophobicContact CB-CD1 4.14Å; A24-F39 HydrophobicContact CB-CE1 3.84Å; A24-F39 HydrophobicContact CB-CZ 4.39Å; A24-W190 VanDerWaalsContact CB-CD1 3.41Å
25F92.6Very high92.7Very high17 Ų1739.7 Ų39.78%0.07522%0.222CC..EExtended strand (participates in β ladder)trans-109.5122.3170.7-73-97.3000108.8N18 I27 V37 E38 E41 P42 I44N18-F25 HydrophobicContact CB-CD1 3.7Å; N18-F25 HydrophobicContact CB-CE1 3.54Å; N18-F25 HydrophobicContact CB-CG 4.38Å; N18-F25 HydrophobicContact CB-CZ 4.1Å; F25-I27 HydrophobicContact CB-CG1 4.39Å; F25-V37 WeakPolarHBondContact O-CA 3.49Å; F25-E38 PolarHBondContact N-O 3.06Å; F25-E38 PolarHBondContact O-N 2.87Å; F25-E41 HydrophobicContact CE2-CB 4.1Å; F25-E41 HydrophobicContact CE2-CG 4.13Å; F25-E41 HydrophobicContact CZ-CB 4.37Å; F25-E41 HydrophobicContact CZ-CG 3.88Å; F25-P42 HydrophobicContact CB-CG 4.11Å; F25-P42 HydrophobicContact CD1-CG 3.91Å; F25-P42 HydrophobicContact CE1-CG 4.49Å; F25-P42 VanDerWaalsContact CG-CD 3.42Å; F25-P42 HydrophobicContact CG-CG 3.95Å; F25-I44 HydrophobicContact CE1-CD1 4.09Å
26I94.2Very high92.5Very high0 Ų043.7 Ų43.70%024%0.239CC..EExtended strand (participates in β ladder)trans-91.4119.4169.9-56.4167.3000107.2F16 I17 L35 V37 W172 L176 Y195F16-I26 CarbonylContact C-O 3.57Å; F16-I26 WeakPolarHBondContact CA-O 3.33Å; I17-I26 HydrophobicContact CB-CB 4.24Å; I17-I26 PolarHBondContact N-O 2.86Å; I17-I26 PolarHBondContact O-N 3.43Å; I26-L35 HydrophobicContact CG2-CD1 3.88Å; I26-L35 HydrophobicContact CG2-CD2 3.85Å; I26-L35 HydrophobicContact CG2-CG 3.84Å; I26-V37 HydrophobicContact CG1-CG2 4.22Å; I26-W172 HydrophobicContact CD1-CH2 4.18Å; I26-W172 HydrophobicContact CD1-CZ2 3.88Å; I26-W172 HydrophobicContact CG2-CH2 3.96Å; I26-L176 HydrophobicContact CD1-CD2 3.96Å; I26-L176 HydrophobicContact CG1-CD2 4.36Å; I26-L176 HydrophobicContact CG2-CD2 4.33Å; I26-Y195 HydrophobicContact CD1-CD1 3.5Å; I26-Y195 VanDerWaalsContact CD1-CD1 3.5Å; I26-Y195 HydrophobicContact CD1-CE1 3.56Å; I26-Y195 HydrophobicContact CD1-CG 4.14Å; I26-Y195 HydrophobicContact CG1-CE1 4.43Å
27I95Very high92.2Very high13 Ų1343.7 Ų43.77%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-113.2121.4-174.6-49.3-176.9000107.9Y15 F16 F25 L35 K36 E38 P42Y15-I27 CarbonylContact O-C 3.54Å; Y15-I27 WeakPolarHBondContact O-CA 3.31Å; F16-I27 HydrophobicContact CD1-CB 4.39Å; F16-I27 HydrophobicContact CD1-CD1 4.05Å; F16-I27 HydrophobicContact CD1-CG1 3.86Å; F16-I27 HydrophobicContact CD1-CG2 3.9Å; F16-I27 HydrophobicContact CE1-CD1 4.11Å; F16-I27 HydrophobicContact CE1-CG1 4.3Å; F16-I27 HydrophobicContact CE1-CG2 3.77Å; F25-I27 HydrophobicContact CB-CG1 4.39Å; I27-L35 CarbonylContact O-C 3.56Å; I27-L35 WeakPolarHBondContact O-CA 3.47Å; I27-K36 HydrophobicContact CB-CB 4.49Å; I27-K36 PolarHBondContact N-O 2.95Å; I27-K36 PolarHBondContact O-N 2.86Å; I27-E38 HydrophobicContact CD1-CB 4.18Å; I27-E38 VanDerWaalsContact CD1-CD 3.42Å; I27-E38 HydrophobicContact CD1-CG 3.93Å; I27-E38 WeakPolarHBondContact CD1-OE2 3.17Å; I27-P42 HydrophobicContact CD1-CB 3.92Å; I27-P42 HydrophobicContact CD1-CG 4.04Å
28I95.4Very high91.8Very high0 Ų047.5 Ų47.50%026%0.258CS..EExtended strand (participates in β ladder)trans-106.3111.7173.4-60164.1000106.7H14 Y15 I17 L35 L68 F96H14-I28 CarbonylContact C-O 3.54Å; H14-I28 VanDerWaalsContact CA-O 3.26Å; H14-I28 WeakPolarHBondContact CA-O 3.01Å; Y15-I28 HydrophobicContact CD2-CB 4.31Å; Y15-I28 HydrophobicContact CD2-CD1 4.35Å; Y15-I28 HydrophobicContact CD2-CG2 4.32Å; Y15-I28 PolarHBondContact N-O 3.44Å; Y15-I28 PolarHBondContact O-N 2.98Å; I17-I28 HydrophobicContact CD1-CD1 4.2Å; I28-L35 HydrophobicContact CG1-CD1 4.21Å; I28-L35 HydrophobicContact CG1-CG 4.34Å; I28-L68 HydrophobicContact CD1-CD2 4.02Å; I28-F96 HydrophobicContact CD1-CE1 3.89Å; I28-F96 HydrophobicContact CD1-CZ 3.77Å; I28-F96 HydrophobicContact CG1-CE2 4.37Å; I28-F96 HydrophobicContact CG1-CZ 4.07Å; I28-F96 HydrophobicContact CG2-CB 4.49Å; I28-F96 HydrophobicContact CG2-CD1 4.01Å; I28-F96 HydrophobicContact CG2-CD2 3.48Å; I28-F96 VanDerWaalsContact CG2-CD2 3.48Å; I28-F96 HydrophobicContact CG2-CE1 4.05Å; I28-F96 HydrophobicContact CG2-CE2 3.52Å; I28-F96 HydrophobicContact CG2-CG 3.73Å; I28-F96 HydrophobicContact CG2-CZ 3.8Å
29D94.3Very high91.5Very high31 Ų3149.6 Ų49.617%0.16627%0.266CS..EExtended strand (participates in β ladder)trans-79.5119.1172.3174.8-2.9000108.7V31 S32 Q33 E34D29-V31 VanDerWaalsContact C-N 3.31Å; D29-V31 WeakPolarHBondContact OD1-CA 3.41Å; D29-V31 WeakPolarHBondContact OD1-CB 3.36Å; D29-V31 PolarHBondContact OD1-N 3.48Å; D29-S32 WeakPolarHBondContact CB-OG 3.32Å; D29-S32 PolarHBondContact OD1-N 3.04Å; D29-S32 WeakPolarHBondContact OD2-CB 3.4Å; D29-S32 PolarHBondContact OD2-OG 2.92Å; D29-Q33 CarbonylContact O-C 3.57Å; D29-Q33 WeakPolarHBondContact O-CA 3.22Å; D29-Q33 PolarHBondContact O-N 2.82Å; D29-E34 PolarHBondContact N-O 3.24Å
30R94.2Very high91Very high29 Ų2957.2 Ų57.211%0.10930%0.301CS..THydrogen-bonded Turntrans-82.9-10.4-175.3-60.8-174.667.1-149.2-5.8113.6T11 P12 D13 Y15 P95 F96 A97 R98T11-R30 PolarHBondContact O-NH1 2.85Å; P12-R30 PolarHBondContact O-NH1 3.34Å; D13-R30 VanDerWaalsContact O-CB 3.27Å; D13-R30 WeakPolarHBondContact O-CB 3.42Å; D13-R30 PolarHBondContact O-N 2.68Å; Y15-R30 HydrophobicContact CD2-CG 4.33Å; Y15-R30 HydrophobicContact CE2-CG 4.25Å; Y15-R30 VanDerWaalsContact CZ-NE 3.34Å; Y15-R30 PolarHBondContact OH-NE 3.4Å; R30-P95 PolarHBondContact NE-O 2.85Å; R30-F96 WeakPolarHBondContact CA-O 3.2Å; R30-F96 WeakPolarHBondContact CB-O 3.47Å; R30-F96 VanDerWaalsContact CG-O 3.28Å; R30-F96 WeakPolarHBondContact CG-O 3.46Å; R30-F96 PolarHBondContact NE-O 2.72Å; R30-A97 PolarHBondContact NH2-O 2.75Å; R30-R98 HydrophobicContact CB-CB 4.3Å; R30-R98 PolarHBondContact O-N 2.87Å; R30-R98 VanDerWaalsContact O-N 3.12Å
31V91.5Very high90.7Very high100 Ų10059.7 Ų59.761%0.60631%0.31SS*.THydrogen-bonded Turntrans-87.6-53.2175.8-175.80000109.4D13 D29D13-V31 HydrophobicContact CB-CG2 4.45Å; D29-V31 VanDerWaalsContact C-N 3.31Å; D29-V31 WeakPolarHBondContact OD1-CA 3.41Å; D29-V31 WeakPolarHBondContact OD1-CB 3.36Å; D29-V31 PolarHBondContact OD1-N 3.48Å
32S90.9Very high90.7Very high53 Ų5356.8 Ų56.837%0.37128%0.277SS..THydrogen-bonded Turntrans-82.3-18.5177.463.60000113.8D29 E34D29-S32 WeakPolarHBondContact CB-OG 3.32Å; D29-S32 PolarHBondContact OD1-N 3.04Å; D29-S32 WeakPolarHBondContact OD2-CB 3.4Å; D29-S32 PolarHBondContact OD2-OG 2.92Å; S32-E34 PolarHBondContact O-N 2.92Å; S32-E34 PolarHBondContact OG-N 3.07Å
33Q90.3Very high90.7Very high60 Ų6060.9 Ų60.928%0.2831%0.312SS..  trans62.817.7-170.2-49-173.529.400113.7D29 F96D29-Q33 CarbonylContact O-C 3.57Å; D29-Q33 WeakPolarHBondContact O-CA 3.22Å; D29-Q33 PolarHBondContact O-N 2.82Å; Q33-F96 HydrophobicContact CB-CB 4.32Å; Q33-F96 HydrophobicContact CB-CD2 4.36Å; Q33-F96 HydrophobicContact CG-CB 4.33Å
34E91.4Very high90.8Very high103 Ų10354.5 Ų54.548%0.48129%0.286SS..  trans-86.4149.6176.8-65.7-175.7168.600112.2D29 S32 K36D29-E34 PolarHBondContact N-O 3.24Å; S32-E34 PolarHBondContact O-N 2.92Å; S32-E34 PolarHBondContact OG-N 3.07Å; E34-K36 WeakPolarHBondContact OE2-CE 3.07Å; E34-K36 IonicContact OE2-NZ 2.75Å
35L92.8Very high90.8Very high9 Ų957 Ų575%0.04730%0.302CS..EExtended strand (participates in β ladder)trans-106.5129.6173.1-172.2154.1000110I26 I27 I28 V37 W172 M175 L176 T179I26-L35 HydrophobicContact CG2-CD1 3.88Å; I26-L35 HydrophobicContact CG2-CD2 3.85Å; I26-L35 HydrophobicContact CG2-CG 3.84Å; I27-L35 CarbonylContact O-C 3.56Å; I27-L35 WeakPolarHBondContact O-CA 3.47Å; I28-L35 HydrophobicContact CG1-CD1 4.21Å; I28-L35 HydrophobicContact CG1-CG 4.34Å; L35-V37 HydrophobicContact CD2-CG2 4.05Å; L35-W172 HydrophobicContact CD1-CE3 4.2Å; L35-W172 HydrophobicContact CD1-CH2 3.89Å; L35-W172 HydrophobicContact CD1-CZ3 3.42Å; L35-W172 VanDerWaalsContact CD1-CZ3 3.42Å; L35-M175 HydrophobicContact CB-CG 3.82Å; L35-M175 HydrophobicContact CD1-CG 3.97Å; L35-M175 HydrophobicContact CG-CG 4.42Å; L35-L176 HydrophobicContact CD1-CD2 4.27Å; L35-L176 HydrophobicContact CD2-CD2 3.84Å; L35-T179 HydrophobicContact CD2-CG2 4.16Å; L35-T179 VanDerWaalsContact CD2-OG1 3.29Å; L35-T179 WeakPolarHBondContact CD2-OG1 3.44Å; L35-T179 WeakPolarHBondContact O-CG2 3.3Å; L35-T179 PolarHBondContact O-OG1 3.39Å
36K90.9Very high90.5Very high90 Ų9064.9 Ų64.939%0.39134%0.343SS..EExtended strand (participates in β ladder)trans-122.9148.7177.3-67.1177.3-172.9166.70110.5I27 E34I27-K36 HydrophobicContact CB-CB 4.49Å; I27-K36 PolarHBondContact N-O 2.95Å; I27-K36 PolarHBondContact O-N 2.86Å; E34-K36 WeakPolarHBondContact OE2-CE 3.07Å; E34-K36 IonicContact OE2-NZ 2.75Å
37V90.1Very high90.3Very high14 Ų1471.3 Ų71.39%0.08538%0.376CS..EExtended strand (participates in β ladder)trans-122.8119.2173.8-1770000107.9A24 F25 I26 L35 F39 L176 T179 W190A24-V37 HydrophobicContact CB-CG1 4.24Å; F25-V37 WeakPolarHBondContact O-CA 3.49Å; I26-V37 HydrophobicContact CG1-CG2 4.22Å; L35-V37 HydrophobicContact CD2-CG2 4.05Å; V37-F39 HydrophobicContact CG1-CE2 4.27Å; V37-F39 HydrophobicContact CG1-CZ 4.39Å; V37-L176 HydrophobicContact CG2-CD2 4.35Å; V37-T179 HydrophobicContact CB-CG2 4.27Å; V37-T179 HydrophobicContact CG2-CG2 3.98Å; V37-T179 VanDerWaalsContact N-CG2 3.31Å; V37-W190 HydrophobicContact CG1-CZ2 4.22Å; V37-W190 HydrophobicContact CG2-CZ2 4.25Å
38E89.5Confident90.2Very high80 Ų8071.5 Ų71.537%0.37438%0.379SS..EExtended strand (participates in β ladder)trans-118.1148.7-178.9-65.9-178.7-178.100109.9A24 F25 I27A24-E38 CarbonylContact C-O 3.52Å; A24-E38 WeakPolarHBondContact CA-O 3.32Å; F25-E38 PolarHBondContact N-O 3.06Å; F25-E38 PolarHBondContact O-N 2.87Å; I27-E38 HydrophobicContact CD1-CB 4.18Å; I27-E38 VanDerWaalsContact CD1-CD 3.42Å; I27-E38 HydrophobicContact CD1-CG 3.93Å; I27-E38 WeakPolarHBondContact CD1-OE2 3.17Å
39F87.2Confident90.2Very high69 Ų6978.3 Ų78.330%0.30341%0.409SS..SBendtrans-110.4-9.8-179.9-68.5-89.3000112.8A24 V37 F182 T187 W190A24-F39 HydrophobicContact CB-CD1 4.14Å; A24-F39 HydrophobicContact CB-CE1 3.84Å; A24-F39 HydrophobicContact CB-CZ 4.39Å; V37-F39 HydrophobicContact CG1-CE2 4.27Å; V37-F39 HydrophobicContact CG1-CZ 4.39Å; F39-F182 HydrophobicContact CE2-CE1 4.42Å; F39-F182 HydrophobicContact CZ-CE1 4.28Å; F39-F182 HydrophobicContact CZ-CZ 4.47Å; F39-T187 HydrophobicContact CD2-CG2 4.06Å; F39-T187 HydrophobicContact CE1-CG2 4.33Å; F39-T187 HydrophobicContact CE2-CG2 3.34Å; F39-T187 HydrophobicContact CZ-CG2 3.5Å; F39-W190 HydrophobicContact CE1-CB 3.74Å; F39-W190 HydrophobicContact CE1-CG 4Å; F39-W190 HydrophobicContact CZ-CB 3.74Å; F39-W190 HydrophobicContact CZ-CD2 4.42Å; F39-W190 AromaticContact CZ-CG 3.81Å; F39-W190 HydrophobicContact CZ-CG 3.81Å
40E84.5Confident90.3Very high160 Ų16083.4 Ų83.475%0.74843%0.43SS*.SBendtrans-89.9141.5167-65.7-178.6-178.500107.7P42E40-P42 VanDerWaalsContact O-CD 3.25Å; E40-P42 WeakPolarHBondContact O-CD 3.43Å; E40-P42 VanDerWaalsContact O-N 3.15Å
41E85.6Confident90.4Very high157 Ų15785.2 Ų85.273%0.73444%0.439SS*.  trans-64.1115.9178.3-177170.5-171.400108.9F25F25-E41 HydrophobicContact CE2-CB 4.1Å; F25-E41 HydrophobicContact CE2-CG 4.13Å; F25-E41 HydrophobicContact CZ-CB 4.37Å; F25-E41 HydrophobicContact CZ-CG 3.88Å
42P87.3Confident90.6Very high17 Ų1782.7 Ų82.711%0.1142%0.424CS..  trans-69.9156.6-177.528.7-33.3000110F16 F25 I27 E40 I44F16-P42 HydrophobicContact CD1-CB 4.23Å; F16-P42 HydrophobicContact CD1-CG 3.76Å; F16-P42 HydrophobicContact CE1-CB 4.08Å; F16-P42 HydrophobicContact CE1-CG 4.12Å; F25-P42 HydrophobicContact CB-CG 4.11Å; F25-P42 HydrophobicContact CD1-CG 3.91Å; F25-P42 HydrophobicContact CE1-CG 4.49Å; F25-P42 VanDerWaalsContact CG-CD 3.42Å; F25-P42 HydrophobicContact CG-CG 3.95Å; I27-P42 HydrophobicContact CD1-CB 3.92Å; I27-P42 HydrophobicContact CD1-CG 4.04Å; E40-P42 VanDerWaalsContact O-CD 3.25Å; E40-P42 WeakPolarHBondContact O-CD 3.43Å; E40-P42 VanDerWaalsContact O-N 3.15Å; P42-I44 VanDerWaalsContact C-N 3.3Å; P42-I44 HydrophobicContact CG-CG1 4.17Å; P42-I44 PolarHBondContact O-N 2.81Å
43A88.9Confident91Very high102 Ų10280.1 Ų80.184%0.84341%0.406SS*.  trans-70.485.317400000110.7P45A43-P45 WeakPolarHBondContact O-CD 3.32Å
44I89.9Confident91.3Very high40 Ų4080.2 Ų80.221%0.20540%0.404CS..  trans-74.1121.3179.6-60.8170.5000109F9 F16 F25 P42 A48F9-I44 HydrophobicContact CB-CG2 4.12Å; F9-I44 HydrophobicContact CD1-CD1 4.49Å; F9-I44 HydrophobicContact CD1-CG2 3.89Å; F9-I44 HydrophobicContact CD2-CD1 3.73Å; F9-I44 HydrophobicContact CE1-CD1 4.45Å; F9-I44 HydrophobicContact CE1-CG2 4.42Å; F9-I44 HydrophobicContact CE2-CD1 3.68Å; F9-I44 HydrophobicContact CG-CD1 4.13Å; F9-I44 HydrophobicContact CG-CG2 4Å; F9-I44 HydrophobicContact CZ-CD1 4.05Å; F16-I44 HydrophobicContact CD1-CG1 4.39Å; F16-I44 HydrophobicContact CD2-CG1 4.41Å; F16-I44 HydrophobicContact CG-CG1 4.23Å; F25-I44 HydrophobicContact CE1-CD1 4.09Å; P42-I44 VanDerWaalsContact C-N 3.3Å; P42-I44 HydrophobicContact CG-CG1 4.17Å; P42-I44 PolarHBondContact O-N 2.81Å; I44-A48 HydrophobicContact CG2-CB 3.72Å
45P90Very high91.6Very high54 Ų5475.3 Ų75.335%0.35138%0.381SS..  trans-59.4141.1179.3-25.134.9000112.4T11 A43 I47 A48T11-P45 HydrophobicContact CG2-CB 4.47Å; T11-P45 HydrophobicContact CG2-CG 4.09Å; A43-P45 WeakPolarHBondContact O-CD 3.32Å; P45-I47 HydrophobicContact CB-CG1 3.82Å; P45-I47 PolarHBondContact O-N 3.11Å; P45-I47 VanDerWaalsContact O-N 3.09Å; P45-A48 WeakPolarHBondContact O-CB 3.39Å; P45-A48 PolarHBondContact O-N 3.11Å
46I87.4Confident91.8Very high181 Ų18174.9 Ų74.993%0.92838%0.379SS*.THydrogen-bonded Turntrans-57.6-29.7178.5-61170.9000111.9A48I46-A48 PolarHBondContact O-N 3.25Å
47I90.1Very high92.1Very high136 Ų13670.6 Ų70.670%0.69736%0.361SS*.THydrogen-bonded Turntrans-73.5-6.5177.459.7165.4000114P45 K49P45-I47 HydrophobicContact CB-CG1 3.82Å; P45-I47 PolarHBondContact O-N 3.11Å; P45-I47 VanDerWaalsContact O-N 3.09Å; I47-K49 PolarHBondContact O-N 3.46Å
48A92.9Very high92.5Very high16 Ų1670 Ų7013%0.13236%0.357CS..PPolyproline II helixtrans-65.2128.1-176.600000111.2F9 I10 T11 I44 P45 I46 K50F9-A48 HydrophobicContact CB-CB 4.18Å; F9-A48 HydrophobicContact CD1-CB 4.43Å; I10-A48 WeakPolarHBondContact O-CA 3.49Å; T11-A48 HydrophobicContact CG2-CB 3.54Å; I44-A48 HydrophobicContact CG2-CB 3.72Å; P45-A48 WeakPolarHBondContact O-CB 3.39Å; P45-A48 PolarHBondContact O-N 3.11Å; I46-A48 PolarHBondContact O-N 3.25Å; A48-K50 PolarHBondContact O-N 3.2Å
49K94.6Very high92.9Very high144 Ų14466.1 Ų66.163%0.62634%0.339SS*.EExtended strand (participates in β ladder)trans-76.5116.2175.3-67.3-178.3-178.6177.90109.1F9 I10 I47F9-K49 WeakPolarHBondContact CA-O 3.15Å; I10-K49 HydrophobicContact CB-CB 4.43Å; I10-K49 PolarHBondContact N-O 2.89Å; I10-K49 PolarHBondContact O-N 2.75Å; I47-K49 PolarHBondContact O-N 3.46Å
50K95.4Very high93.3Very high138 Ų13863.4 Ų63.460%0.633%0.328SS*.EExtended strand (participates in β ladder)trans-84.8132.2178-173.8176.5175.9171.20111T7 F9 A48T7-K50 HydrophobicContact CG2-CD 4.09Å; T7-K50 VanDerWaalsContact CG2-CE 3.49Å; T7-K50 HydrophobicContact CG2-CG 3.71Å; F9-K50 HydrophobicContact CD1-CB 4.05Å; F9-K50 HydrophobicContact CD1-CG 4.15Å; F9-K50 HydrophobicContact CE1-CB 4.05Å; F9-K50 HydrophobicContact CE1-CD 3.84Å; F9-K50 HydrophobicContact CE1-CG 3.8Å; F9-K50 HydrophobicContact CZ-CD 4.25Å; F9-K50 HydrophobicContact CZ-CG 4.35Å; A48-K50 PolarHBondContact O-N 3.2Å
51H96.5Very high93.8Very high66 Ų6661.5 Ų61.531%0.30631%0.314SS..EExtended strand (participates in β ladder)trans-139.4131.3-179.2-72.3-55.1000110.5L8L8-H51 HydrophobicContact CB-CB 4.4Å; L8-H51 PolarHBondContact N-O 2.89Å; L8-H51 PolarHBondContact O-N 2.84Å
52T97.5Very high94.3Very high47 Ų4754 Ų5429%0.28828%0.279SS..EExtended strand (participates in β ladder)trans-79.5137.4165.9-49.20000109.9E5 Y6 Y54 K72E5-T52 HydrophobicContact CG-CG2 3.63Å; Y6-T52 WeakPolarHBondContact O-CA 3.34Å; T52-Y54 HydrophobicContact CG2-CE1 3.99Å; T52-K72 PolarHBondContact O-NZ 2.95Å
53I97.8Very high94.5Very high0 Ų054.3 Ų54.30%028%0.28CS..EExtended strand (participates in β ladder)trans-131160.6169.965.9174.3000108.6Y6 L8 V70 I71 K72Y6-I53 HydrophobicContact CD2-CG1 4.24Å; Y6-I53 HydrophobicContact CG-CG1 4.23Å; Y6-I53 PolarHBondContact N-O 3.4Å; Y6-I53 PolarHBondContact O-N 3.29Å; L8-I53 HydrophobicContact CB-CD1 4.21Å; L8-I53 HydrophobicContact CB-CG1 4.44Å; L8-I53 HydrophobicContact CB-CG2 4.23Å; L8-I53 HydrophobicContact CD2-CG2 4.17Å; I53-V70 HydrophobicContact CB-CB 4.46Å; I53-V70 HydrophobicContact CD1-CB 4.02Å; I53-V70 HydrophobicContact CD1-CG1 3.83Å; I53-V70 HydrophobicContact CG2-CB 4.29Å; I53-V70 HydrophobicContact CG2-CG2 3.98Å; I53-I71 CarbonylContact C-O 3.58Å; I53-I71 WeakPolarHBondContact CA-O 3.39Å; I53-I71 WeakPolarHBondContact CB-O 3.33Å; I53-K72 HydrophobicContact CG2-CD 4.25Å
54Y97.8Very high94.7Very high62 Ų6249.6 Ų49.624%0.24324%0.241CC..  trans-121.68.6-168.9-57-74.2000114.8D4 E5 T52 I71 K72 R74 Y129D4-Y54 CarbonylContact O-C 3.55Å; D4-Y54 WeakPolarHBondContact O-CA 3.2Å; E5-Y54 HydrophobicContact CG-CD1 4.41Å; E5-Y54 HydrophobicContact CG-CE1 4.46Å; T52-Y54 HydrophobicContact CG2-CE1 3.99Å; Y54-I71 PolarHBondContact N-O 3.32Å; Y54-K72 WeakPolarHBondContact CD2-O 3.45Å; Y54-K72 VanDerWaalsContact CE2-O 3.26Å; Y54-K72 WeakPolarHBondContact CE2-O 3.4Å; Y54-R74 HydrophobicContact CD1-CG 4.38Å; Y54-R74 VanDerWaalsContact CD1-NE 3.34Å; Y54-R74 HydrophobicContact CD2-CG 4Å; Y54-R74 HydrophobicContact CE2-CG 4.47Å; Y54-R74 HydrophobicContact CG-CG 3.94Å; Y54-Y129 WeakPolarHBondContact CB-OH 3.43Å; Y54-Y129 PolarHBondContact O-OH 3Å
55G96.9Very high94.8Very high0 Ų048.1 Ų48.10%024%0.236CC..  trans159167.8-178.500000111.5I71G55-I71 PolarHBondContact O-N 2.86Å
56I97.5Very high95.1Very high0 Ų047.1 Ų47.10%023%0.226CC..EExtended strand (participates in β ladder)trans-120.6124-176-66161000107.4Y6 G58 L68 W172Y6-I56 HydrophobicContact CE1-CD1 4.45Å; I56-G58 VanDerWaalsContact C-N 3.35Å; I56-L68 HydrophobicContact CG2-CD1 3.9Å; I56-W172 HydrophobicContact CD1-CH2 4.36Å; I56-W172 HydrophobicContact CD1-CZ2 3.6Å; I56-W172 HydrophobicContact CG2-CD2 4.18Å; I56-W172 HydrophobicContact CG2-CG 4.29Å
57W97.8Very high95.6Very high0 Ų039.1 Ų39.10%018%0.184CC..EExtended strand (participates in β ladder)trans-68.3-41.8170.9-80.480.8000110.3I69 I88 S91 L122 F127 N165 L168 L169 I199 L550W57-I69 HydrophobicContact CB-CB 3.75Å; W57-I69 HydrophobicContact CB-CG2 3.65Å; W57-I69 WeakPolarHBondContact CB-O 3.48Å; W57-I69 HydrophobicContact CD2-CG2 4.39Å; W57-I69 HydrophobicContact CG-CB 4.32Å; W57-I69 HydrophobicContact CG-CG2 3.65Å; W57-I69 PolarHBondContact N-O 3.5Å; W57-I88 HydrophobicContact CZ2-CD1 3.69Å; W57-I88 HydrophobicContact CZ2-CG2 4.47Å; W57-S91 PolarHBondContact NE1-OG 3.02Å; W57-L122 HydrophobicContact CD2-CD2 3.81Å; W57-L122 HydrophobicContact CE3-CD2 3.96Å; W57-L122 HydrophobicContact CG-CD2 4.47Å; W57-L122 HydrophobicContact CH2-CD2 3.85Å; W57-L122 HydrophobicContact CZ2-CD2 3.68Å; W57-L122 HydrophobicContact CZ3-CD2 3.99Å; W57-F127 HydrophobicContact CH2-CB 4.15Å; W57-F127 AromaticContact CH2-CD1 3.54Å; W57-F127 HydrophobicContact CH2-CD1 3.54Å; W57-F127 AromaticContact CH2-CD2 3.78Å; W57-F127 HydrophobicContact CH2-CD2 3.78Å; W57-F127 AromaticContact CH2-CE1 3.72Å; W57-F127 HydrophobicContact CH2-CE1 3.72Å; W57-F127 AromaticContact CH2-CE2 3.96Å; W57-F127 HydrophobicContact CH2-CE2 3.96Å; W57-F127 AromaticContact CH2-CG 3.56Å; W57-F127 HydrophobicContact CH2-CG 3.56Å; W57-F127 AromaticContact CH2-CZ 3.92Å; W57-F127 HydrophobicContact CH2-CZ 3.92Å; W57-F127 HydrophobicContact CZ2-CB 4.27Å; W57-F127 HydrophobicContact CZ2-CD1 4.45Å; W57-F127 HydrophobicContact CZ2-CD2 4.17Å; W57-F127 HydrophobicContact CZ2-CG 4.06Å; W57-F127 HydrophobicContact CZ3-CD1 4.27Å; W57-F127 HydrophobicContact CZ3-CE1 4.2Å; W57-N165 HydrophobicContact CE3-CB 3.72Å; W57-N165 HydrophobicContact CZ3-CB 4.27Å; W57-N165 PolarHBondContact O-ND2 3.49Å; W57-L168 HydrophobicContact CB-CD1 4.25Å; W57-L168 HydrophobicContact CE3-CD1 4.18Å; W57-L168 WeakPolarHBondContact O-CB 3.33Å; W57-L169 WeakPolarHBondContact O-CD2 2.92Å; W57-L169 WeakPolarHBondContact O-CG 3.37Å; W57-I199 HydrophobicContact CD2-CD1 3.47Å; W57-I199 VanDerWaalsContact CD2-CD1 3.47Å; W57-I199 HydrophobicContact CE3-CD1 3.73Å; W57-I199 HydrophobicContact CG-CD1 3.85Å; W57-I199 HydrophobicContact CH2-CD1 4.35Å; W57-I199 HydrophobicContact CH2-CG2 4.15Å; W57-I199 HydrophobicContact CZ2-CD1 4.15Å; W57-I199 HydrophobicContact CZ3-CD1 4.15Å; W57-I199 HydrophobicContact CZ3-CG2 4.36Å; W57-L550 HydrophobicContact CE3-CD1 4.5Å; W57-L550 HydrophobicContact CZ3-CD1 4.41Å; W57-L550 HydrophobicContact CZ3-CD2 4.24Å
58G97.9Very high95.9Very high0 Ų032.7 Ų32.70%015%0.151CC..EExtended strand (participates in β ladder)trans137.2-156.2178.700000111.4I56 I69 L168I56-G58 VanDerWaalsContact C-N 3.35Å; G58-I69 PolarHBondContact O-N 2.87Å; G58-L168 WeakPolarHBondContact CA-O 3.05Å
59L97.4Very high96.2Very high0 Ų031.9 Ų31.90%015%0.145CC..EExtended strand (participates in β ladder)trans-110.1142.4177.7-61.8-179.2000111.4F66 Y67 L68 F96 L168 E171 W172 M175L59-F66 HydrophobicContact CB-CD1 4.19Å; L59-F66 HydrophobicContact CD1-CD1 4.4Å; L59-Y67 WeakPolarHBondContact CA-O 3.32Å; L59-L68 HydrophobicContact CD2-CB 4.1Å; L59-L68 HydrophobicContact CD2-CD1 3.72Å; L59-F96 HydrophobicContact CD1-CZ 4.16Å; L59-F96 HydrophobicContact CD2-CE1 3.58Å; L59-F96 HydrophobicContact CD2-CZ 3.63Å; L59-L168 PolarHBondContact N-O 2.92Å; L59-L168 WeakPolarHBondContact O-CA 3.44Å; L59-L168 VanDerWaalsContact O-CD2 3.22Å; L59-L168 WeakPolarHBondContact O-CD2 3.49Å; L59-E171 HydrophobicContact CB-CB 3.97Å; L59-W172 HydrophobicContact CD1-CE3 3.94Å; L59-W172 HydrophobicContact CD2-CE3 3.88Å; L59-W172 HydrophobicContact CD2-CZ3 4.3Å; L59-W172 HydrophobicContact CG-CB 4.15Å; L59-W172 HydrophobicContact CG-CE3 3.73Å; L59-M175 HydrophobicContact CD1-CB 3.9Å; L59-M175 HydrophobicContact CD1-CE 4.07Å; L59-M175 HydrophobicContact CD1-CG 4.16Å
60V96.3Very high96.4Very high12 Ų1225.1 Ų25.17%0.07312%0.116CC..EExtended strand (participates in β ladder)trans-124.1140.4166.165.40000108.9L62 F66 Y67 I69 L118 L168V60-L62 HydrophobicContact CG1-CD2 4.5Å; V60-L62 HydrophobicContact CG1-CG 4.41Å; V60-L62 HydrophobicContact CG2-CD2 4.01Å; V60-F66 CarbonylContact O-C 3.56Å; V60-F66 WeakPolarHBondContact O-CA 3.39Å; V60-Y67 PolarHBondContact N-O 3.46Å; V60-Y67 PolarHBondContact O-N 3.09Å; V60-I69 HydrophobicContact CB-CD1 4.34Å; V60-I69 HydrophobicContact CG1-CD1 3.81Å; V60-I69 HydrophobicContact CG1-CG1 4.28Å; V60-L118 HydrophobicContact CG1-CD1 3.73Å; V60-L168 HydrophobicContact CB-CD2 3.66Å; V60-L168 HydrophobicContact CG2-CD2 4.24Å
61R94.9Very high96.5Very high119 Ų11918.6 Ų18.645%0.4499%0.087SC..EExtended strand (participates in β ladder)trans-100.1120.1174-171.1173.7178.6-1790.9109.8G65 F66 M557R61-G65 WeakPolarHBondContact CA-O 3.48Å; R61-F66 HydrophobicContact CB-CD1 3.92Å; R61-F66 HydrophobicContact CB-CE1 3.82Å; R61-F66 HydrophobicContact CB-CZ 4.49Å; R61-F66 HydrophobicContact CG-CD1 4.4Å; R61-F66 HydrophobicContact CG-CE1 4.31Å; R61-M557 HydrophobicContact CG-CG 4.44Å
62L94.7Very high96.6Very high1 Ų117.6 Ų17.61%0.0058%0.082CC..  trans-109.5-157.7174.3-54.9-174.4000110.2V60 G65 Y67 E111 Y114 L118 L549 V556V60-L62 HydrophobicContact CG1-CD2 4.5Å; V60-L62 HydrophobicContact CG1-CG 4.41Å; V60-L62 HydrophobicContact CG2-CD2 4.01Å; L62-G65 PolarHBondContact N-O 3.47Å; L62-Y67 HydrophobicContact CB-CD2 4.11Å; L62-Y67 HydrophobicContact CB-CE2 4.02Å; L62-Y67 HydrophobicContact CD1-CD2 3.84Å; L62-Y67 HydrophobicContact CD1-CE2 3.85Å; L62-Y67 HydrophobicContact CD1-CG 4.31Å; L62-Y67 HydrophobicContact CG-CD2 3.92Å; L62-Y67 HydrophobicContact CG-CE2 4.18Å; L62-E111 WeakPolarHBondContact CB-OE2 3.49Å; L62-Y114 HydrophobicContact CD2-CG 4.48Å; L62-L118 HydrophobicContact CD1-CD1 3.95Å; L62-L118 HydrophobicContact CD2-CD1 4.15Å; L62-L118 HydrophobicContact CG-CD1 4.46Å; L62-L549 HydrophobicContact CD2-CD1 4.41Å; L62-V556 HydrophobicContact CD2-CG2 4.1Å
63V92.9Very high96.6Very high22 Ų2219.2 Ų19.213%0.1339%0.086CC..SBendtrans-70.6-43.6-176.2-168.50000111G65 L103 Q107 D110 E111 Y114 V556 L563V63-G65 VanDerWaalsContact C-N 3.3Å; V63-G65 PolarHBondContact O-N 3.1Å; V63-L103 HydrophobicContact CG1-CD1 4.45Å; V63-L103 HydrophobicContact CG1-CD2 3.85Å; V63-Q107 HydrophobicContact CG1-CB 3.88Å; V63-Q107 HydrophobicContact CG1-CG 3.95Å; V63-D110 HydrophobicContact CG2-CB 4.3Å; V63-E111 WeakPolarHBondContact CA-OE2 3.44Å; V63-E111 HydrophobicContact CB-CB 4.37Å; V63-E111 WeakPolarHBondContact CB-OE2 3.44Å; V63-E111 HydrophobicContact CG2-CB 4.4Å; V63-E111 VanDerWaalsContact CG2-OE2 3.31Å; V63-E111 WeakPolarHBondContact CG2-OE2 3.19Å; V63-E111 PolarHBondContact N-OE2 2.95Å; V63-Y114 HydrophobicContact CG2-CD2 3.86Å; V63-Y114 HydrophobicContact CG2-CE2 3.78Å; V63-V556 HydrophobicContact CG2-CG1 4.15Å; V63-L563 HydrophobicContact CB-CD1 4.36Å; V63-L563 HydrophobicContact CG1-CD1 4.06Å; V63-L563 HydrophobicContact CG1-CD2 3.69Å; V63-L563 HydrophobicContact CG2-CD1 3.9Å
64S91.9Very high96.6Very high4 Ų421.4 Ų21.43%0.0289%0.094CC..SBendtrans-78.6-11-178.668.60000114.8Y67 L100 E111S64-Y67 VanDerWaalsContact OG-CE2 3.25Å; S64-Y67 WeakPolarHBondContact OG-CE2 3.47Å; S64-Y67 PolarHBondContact OG-OH 3.4Å; S64-L100 VanDerWaalsContact CB-CD2 3.41Å; S64-E111 WeakPolarHBondContact CB-OE1 3.33Å; S64-E111 PolarHBondContact N-OE1 3.41Å; S64-E111 VanDerWaalsContact N-OE1 3.14Å; S64-E111 PolarHBondContact OG-OE1 3.49Å
65G93.2Very high96.6Very high9 Ų925.1 Ų25.19%0.09311%0.112CC..SBendtrans131.5-151.3-176.800000112.7R61 L62 V63R61-G65 WeakPolarHBondContact CA-O 3.48Å; L62-G65 PolarHBondContact N-O 3.47Å; V63-G65 VanDerWaalsContact C-N 3.3Å; V63-G65 PolarHBondContact O-N 3.1Å
66F95.5Very high96.6Very high33 Ų3331.6 Ų31.615%0.14514%0.136CC..EExtended strand (participates in β ladder)trans-78.7145.3-179.5-73.3-75.1000112.4L59 V60 R61 F96 M175L59-F66 HydrophobicContact CB-CD1 4.19Å; L59-F66 HydrophobicContact CD1-CD1 4.4Å; V60-F66 CarbonylContact O-C 3.56Å; V60-F66 WeakPolarHBondContact O-CA 3.39Å; R61-F66 HydrophobicContact CB-CD1 3.92Å; R61-F66 HydrophobicContact CB-CE1 3.82Å; R61-F66 HydrophobicContact CB-CZ 4.49Å; R61-F66 HydrophobicContact CG-CD1 4.4Å; R61-F66 HydrophobicContact CG-CE1 4.31Å; F66-F96 HydrophobicContact CB-CB 4.38Å; F66-F96 HydrophobicContact CB-CD1 3.96Å; F66-F96 HydrophobicContact CB-CD2 3.92Å; F66-F96 HydrophobicContact CB-CE1 4.18Å; F66-F96 HydrophobicContact CB-CE2 4.17Å; F66-F96 HydrophobicContact CB-CG 3.83Å; F66-F96 HydrophobicContact CB-CZ 4.3Å; F66-F96 VanDerWaalsContact O-CB 3.23Å; F66-F96 WeakPolarHBondContact O-CB 3.46Å; F66-F96 WeakPolarHBondContact O-CD1 3.41Å; F66-F96 WeakPolarHBondContact O-CG 3.33Å; F66-F96 PolarHBondContact O-N 2.85Å; F66-M175 HydrophobicContact CD1-CE 4.48Å; F66-M175 HydrophobicContact CD2-CE 3.79Å; F66-M175 HydrophobicContact CE1-CE 4.19Å; F66-M175 HydrophobicContact CE2-CE 3.46Å; F66-M175 VanDerWaalsContact CE2-CE 3.46Å; F66-M175 HydrophobicContact CG-CE 4.29Å; F66-M175 HydrophobicContact CZ-CE 3.67Å
67Y97.4Very high96.6Very high13 Ų1333.8 Ų33.85%0.05115%0.149CC..EExtended strand (participates in β ladder)trans-123.2130.7170.1-78.7-106.8000109L59 V60 L62 S64 I93 L94 P95 E111L59-Y67 WeakPolarHBondContact CA-O 3.32Å; V60-Y67 PolarHBondContact N-O 3.46Å; V60-Y67 PolarHBondContact O-N 3.09Å; L62-Y67 HydrophobicContact CB-CD2 4.11Å; L62-Y67 HydrophobicContact CB-CE2 4.02Å; L62-Y67 HydrophobicContact CD1-CD2 3.84Å; L62-Y67 HydrophobicContact CD1-CE2 3.85Å; L62-Y67 HydrophobicContact CD1-CG 4.31Å; L62-Y67 HydrophobicContact CG-CD2 3.92Å; L62-Y67 HydrophobicContact CG-CE2 4.18Å; S64-Y67 VanDerWaalsContact OG-CE2 3.25Å; S64-Y67 WeakPolarHBondContact OG-CE2 3.47Å; S64-Y67 PolarHBondContact OG-OH 3.4Å; Y67-I93 HydrophobicContact CD1-CG2 3.37Å; Y67-I93 HydrophobicContact CE1-CG2 4.24Å; Y67-I93 HydrophobicContact CG-CG2 3.99Å; Y67-L94 CarbonylContact C-O 3.55Å; Y67-L94 VanDerWaalsContact CA-O 3.31Å; Y67-L94 WeakPolarHBondContact CA-O 3.41Å; Y67-P95 VanDerWaalsContact CD1-CA 3.48Å; Y67-P95 HydrophobicContact CD1-CB 3.88Å; Y67-P95 HydrophobicContact CE1-CB 3.45Å; Y67-P95 VanDerWaalsContact CE1-CB 3.45Å; Y67-P95 HydrophobicContact CE1-CG 4.12Å; Y67-P95 HydrophobicContact CE2-CB 4.35Å; Y67-E111 WeakPolarHBondContact CE2-OE1 3.35Å; Y67-E111 PolarHBondContact OH-OE1 3.46Å
68L97.8Very high96.5Very high0 Ų034.1 Ų34.10%015%0.153CC..EExtended strand (participates in β ladder)trans-83.9127.2169-177.767.4000109.5I17 I28 I56 L59 V70 L94 F96 W172I17-L68 HydrophobicContact CD1-CD2 3.58Å; I28-L68 HydrophobicContact CD1-CD2 4.02Å; I56-L68 HydrophobicContact CG2-CD1 3.9Å; L59-L68 HydrophobicContact CD2-CB 4.1Å; L59-L68 HydrophobicContact CD2-CD1 3.72Å; L68-V70 HydrophobicContact CD1-CG1 4.38Å; L68-V70 HydrophobicContact CD2-CG1 3.6Å; L68-V70 HydrophobicContact CG-CG1 3.63Å; L68-L94 HydrophobicContact CB-CB 4.31Å; L68-L94 HydrophobicContact CD2-CD1 4.39Å; L68-L94 PolarHBondContact N-O 3.4Å; L68-L94 PolarHBondContact O-N 2.95Å; L68-F96 HydrophobicContact CB-CE1 3.93Å; L68-W172 HydrophobicContact CD1-CE3 4.14Å; L68-W172 HydrophobicContact CD1-CH2 4.41Å; L68-W172 HydrophobicContact CD1-CZ3 3.92Å
69I98.4Very high96.5Very high0 Ų038 Ų380%017%0.171CC..EExtended strand (participates in β ladder)trans-106.9122.1173.1-54.1173.1000108.5W57 G58 V60 V92 I93 L122 L168W57-I69 HydrophobicContact CB-CB 3.75Å; W57-I69 HydrophobicContact CB-CG2 3.65Å; W57-I69 WeakPolarHBondContact CB-O 3.48Å; W57-I69 HydrophobicContact CD2-CG2 4.39Å; W57-I69 HydrophobicContact CG-CB 4.32Å; W57-I69 HydrophobicContact CG-CG2 3.65Å; W57-I69 PolarHBondContact N-O 3.5Å; G58-I69 PolarHBondContact O-N 2.87Å; V60-I69 HydrophobicContact CB-CD1 4.34Å; V60-I69 HydrophobicContact CG1-CD1 3.81Å; V60-I69 HydrophobicContact CG1-CG1 4.28Å; I69-V92 WeakPolarHBondContact CA-O 3.5Å; I69-I93 HydrophobicContact CG1-CG1 4.42Å; I69-I93 HydrophobicContact CG1-CG2 4.29Å; I69-L122 HydrophobicContact CD1-CD1 4.28Å; I69-L122 HydrophobicContact CG2-CD1 3.63Å; I69-L122 HydrophobicContact CG2-CD2 4.01Å; I69-L168 HydrophobicContact CD1-CD1 4.2Å; I69-L168 HydrophobicContact CD1-CD2 4.41Å
70V98.2Very high96.4Very high2 Ų238 Ų381%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-122.2151.3-176-58.40000112.3I53 L68 K72 S91 V92 L94I53-V70 HydrophobicContact CB-CB 4.46Å; I53-V70 HydrophobicContact CD1-CB 4.02Å; I53-V70 HydrophobicContact CD1-CG1 3.83Å; I53-V70 HydrophobicContact CG2-CB 4.29Å; I53-V70 HydrophobicContact CG2-CG2 3.98Å; L68-V70 HydrophobicContact CD1-CG1 4.38Å; L68-V70 HydrophobicContact CD2-CG1 3.6Å; L68-V70 HydrophobicContact CG-CG1 3.63Å; V70-K72 PolarHBondContact O-N 3.26Å; V70-S91 CarbonylContact O-C 3.54Å; V70-S91 VanDerWaalsContact O-CA 3.24Å; V70-S91 WeakPolarHBondContact O-CA 3.43Å; V70-V92 HydrophobicContact CG2-CB 4.05Å; V70-V92 PolarHBondContact N-O 3.03Å; V70-V92 PolarHBondContact O-N 2.91Å; V70-L94 HydrophobicContact CG1-CD1 4.38Å; V70-L94 HydrophobicContact CG2-CD1 4.13Å
71I98.3Very high96.3Very high0 Ų039 Ų390%018%0.175CC..EExtended strand (participates in β ladder)trans-84.3106.4173.2-57.4175.7000108I53 Y54 G55 I88 Y129 V197 I199I53-I71 CarbonylContact C-O 3.58Å; I53-I71 WeakPolarHBondContact CA-O 3.39Å; I53-I71 WeakPolarHBondContact CB-O 3.33Å; Y54-I71 PolarHBondContact N-O 3.32Å; G55-I71 PolarHBondContact O-N 2.86Å; I71-I88 HydrophobicContact CD1-CD1 3.57Å; I71-I88 HydrophobicContact CD1-CG1 3.98Å; I71-I88 HydrophobicContact CG1-CD1 3.94Å; I71-I88 HydrophobicContact CG1-CG1 4.33Å; I71-I88 HydrophobicContact CG2-CG1 4.17Å; I71-I88 HydrophobicContact CG2-CG2 4.17Å; I71-Y129 HydrophobicContact CD1-CD1 4Å; I71-Y129 HydrophobicContact CD1-CE1 3.68Å; I71-Y129 HydrophobicContact CD1-CE2 4.47Å; I71-Y129 HydrophobicContact CG2-CE1 4.29Å; I71-V197 HydrophobicContact CD1-CG1 4.47Å; I71-I199 HydrophobicContact CD1-CD1 4.16Å
72K97.7Very high96.2Very high46 Ų4636.1 Ų36.120%0.218%0.183CC..EExtended strand (participates in β ladder)trans-88.4-36.8-176.3-177.960.2-170.4167.40112.7T52 I53 Y54 V70 K90 V92T52-K72 PolarHBondContact O-NZ 2.95Å; I53-K72 HydrophobicContact CG2-CD 4.25Å; Y54-K72 WeakPolarHBondContact CD2-O 3.45Å; Y54-K72 VanDerWaalsContact CE2-O 3.26Å; Y54-K72 WeakPolarHBondContact CE2-O 3.4Å; V70-K72 PolarHBondContact O-N 3.26Å; K72-K90 PolarHBondContact N-O 3.35Å; K72-V92 HydrophobicContact CB-CB 4.48Å; K72-V92 HydrophobicContact CB-CG2 3.63Å; K72-V92 HydrophobicContact CG-CG2 3.91Å
73E98.1Very high96.3Very high81 Ų8137.9 Ų37.938%0.37919%0.192SC..EExtended strand (participates in β ladder)trans-136.7142.1178.4-58170-156.400109.8T89 K90E73-T89 VanDerWaalsContact CB-OG1 3.27Å; E73-T89 WeakPolarHBondContact CB-OG1 3.43Å; E73-T89 PolarHBondContact O-N 3.36Å; E73-T89 PolarHBondContact O-OG1 3.38Å; E73-K90 HydrophobicContact CB-CB 3.74Å; E73-K90 VanDerWaalsContact CD-CD 3.41Å; E73-K90 HydrophobicContact CG-CB 3.99Å; E73-K90 HydrophobicContact CG-CD 4.04Å; E73-K90 PolarHBondContact N-O 3.14Å; E73-K90 VanDerWaalsContact N-O 3.11Å; E73-K90 PolarHBondContact O-N 2.96Å; E73-K90 WeakPolarHBondContact OE1-CD 3.44Å; E73-K90 IonicContact OE1-NZ 3.12Å; E73-K90 PolarHBondContact OE1-NZ 3.41Å
74R97.3Very high96.5Very high45 Ų4538.3 Ų38.317%0.1720%0.195CC..EExtended strand (participates in β ladder)trans-138.2155.617871.1-177.7176.8-174.3-0.8110.5D4 Y54 F86 K87 T89 Y129D4-R74 VanDerWaalsContact O-CZ 3.24Å; D4-R74 PolarHBondContact O-NH1 2.97Å; D4-R74 PolarHBondContact O-NH2 3.47Å; D4-R74 IonicContact OD2-NH2 2.96Å; D4-R74 PolarHBondContact OD2-NH2 3.48Å; Y54-R74 HydrophobicContact CD1-CG 4.38Å; Y54-R74 VanDerWaalsContact CD1-NE 3.34Å; Y54-R74 HydrophobicContact CD2-CG 4Å; Y54-R74 HydrophobicContact CE2-CG 4.47Å; Y54-R74 HydrophobicContact CG-CG 3.94Å; R74-F86 HydrophobicContact CB-CB 4.4Å; R74-F86 HydrophobicContact CG-CD1 4.01Å; R74-F86 HydrophobicContact CG-CG 4.49Å; R74-K87 CarbonylContact C-O 3.54Å; R74-K87 VanDerWaalsContact CA-O 3.28Å; R74-K87 WeakPolarHBondContact CA-O 3.4Å; R74-T89 PolarHBondContact N-OG1 3.46Å; R74-Y129 HydrophobicContact CB-CE1 4.48Å; R74-Y129 WeakPolarHBondContact CD-OH 3.3Å; R74-Y129 PolarHBondContact NH1-OH 3.39Å; R74-Y129 VanDerWaalsContact NH1-OH 3.12Å
75K97.8Very high96.8Very high141 Ų14138.1 Ų38.161%0.61319%0.194SC*.EExtended strand (participates in β ladder)trans-119.9128.9171.1-178.5177.6178.8178.30109.7V77 F86 K87 T89K75-V77 PolarHBondContact O-N 3.21Å; K75-F86 WeakPolarHBondContact O-CA 3.26Å; K75-K87 PolarHBondContact N-O 3.15Å; K75-K87 PolarHBondContact O-N 2.75Å; K75-T89 HydrophobicContact CB-CG2 3.89Å
76R97.8Very high97.1Very high135 Ų13538.9 Ų38.951%0.50919%0.194SC..EExtended strand (participates in β ladder)trans-65.9126.3171.2-176.1168.4178.1-94.17.8109.6E79 T84 F86R76-E79 IonicContact CZ-OE1 2.76Å; R76-E79 IonicContact NH2-OE1 3.22Å; R76-E79 PolarHBondContact NH2-OE1 3.15Å; R76-T84 HydrophobicContact CG-CG2 3.78Å; R76-F86 HydrophobicContact CB-CD1 4.15Å; R76-F86 HydrophobicContact CB-CE1 4.05Å; R76-F86 HydrophobicContact CG-CE1 4.37Å
77V97.3Very high97.2Very high46 Ų4638.5 Ų38.528%0.27919%0.193SC..EExtended strand (participates in β ladder)trans-88.4-42.8177.3-178.70000110.2K75 I85 K87 Y128 V204 I206K75-V77 PolarHBondContact O-N 3.21Å; V77-I85 HydrophobicContact CB-CB 4.49Å; V77-I85 PolarHBondContact N-O 2.9Å; V77-K87 HydrophobicContact CG2-CB 3.81Å; V77-Y128 HydrophobicContact CG2-CD1 4.04Å; V77-Y128 HydrophobicContact CG2-CE1 3.93Å; V77-V204 HydrophobicContact CG1-CG1 4.29Å; V77-I206 HydrophobicContact CG1-CD1 4.05Å; V77-I206 HydrophobicContact CG1-CG1 4.18Å
78G96.5Very high97.2Very high8 Ų838.4 Ų38.48%0.08219%0.193CC..EExtended strand (participates in β ladder)trans158.1-160.3-176.500000110.2I85G78-I85 PolarHBondContact O-N 3.07Å
79E96.4Very high97.2Very high80 Ų8041.7 Ų41.737%0.37421%0.213SC..EExtended strand (participates in β ladder)trans-123.1141.5177.9-80.2169.4-162.100111.4R76 N83R76-E79 IonicContact CZ-OE1 2.76Å; R76-E79 IonicContact NH2-OE1 3.22Å; R76-E79 PolarHBondContact NH2-OE1 3.15Å; E79-N83 CarbonylContact C-O 3.51Å; E79-N83 VanDerWaalsContact CA-O 3.24Å; E79-N83 WeakPolarHBondContact CA-O 3.21Å
80I96.7Very high97.2Very high1 Ų146.3 Ų46.31%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-121.9116.7172.4-56.9-176000106.7G82 N83 I85 V204 I206 I226 L258I80-G82 PolarHBondContact O-N 3.18Å; I80-N83 PolarHBondContact N-O 3.45Å; I80-N83 WeakPolarHBondContact O-CB 3.12Å; I80-N83 PolarHBondContact O-N 3.48Å; I80-N83 PolarHBondContact O-ND2 3.11Å; I80-I85 HydrophobicContact CB-CG1 4.37Å; I80-I85 HydrophobicContact CD1-CD1 4.39Å; I80-I85 HydrophobicContact CD1-CG1 3.86Å; I80-I85 HydrophobicContact CG1-CD1 4.45Å; I80-I85 HydrophobicContact CG1-CG1 3.82Å; I80-V204 HydrophobicContact CD1-CG1 4.37Å; I80-I206 HydrophobicContact CD1-CD1 4.02Å; I80-I206 HydrophobicContact CD1-CG1 4.35Å; I80-I206 HydrophobicContact CG1-CD1 3.61Å; I80-I206 HydrophobicContact CG1-CG1 4.19Å; I80-I226 HydrophobicContact CD1-CD1 3.8Å; I80-I226 HydrophobicContact CD1-CG1 4.09Å; I80-L258 HydrophobicContact CG2-CD1 3.69Å
81F94.3Very high97.2Very high32 Ų3247.3 Ų47.314%0.1424%0.24CC..THydrogen-bonded Turntrans53.337.5-178.1-47.5-42.2000113.5N83 Y133 L139 L258 D260 R265F81-N83 VanDerWaalsContact C-N 3.27Å; F81-N83 PolarHBondContact O-N 2.83Å; F81-N83 PolarHBondContact O-ND2 3.24Å; F81-Y133 HydrophobicContact CD2-CE2 4.12Å; F81-L139 HydrophobicContact CE2-CD1 4Å; F81-L139 HydrophobicContact CE2-CD2 3.9Å; F81-L139 HydrophobicContact CE2-CG 4.44Å; F81-L139 HydrophobicContact CZ-CD2 3.78Å; F81-L258 HydrophobicContact CE2-CD1 4.01Å; F81-L258 HydrophobicContact CE2-CD2 4.46Å; F81-L258 HydrophobicContact CZ-CB 4.3Å; F81-L258 HydrophobicContact CZ-CD1 4.11Å; F81-L258 HydrophobicContact CZ-CD2 4.18Å; F81-L258 HydrophobicContact CZ-CG 4.44Å; F81-D260 HydrophobicContact CD1-CB 4.2Å; F81-D260 WeakPolarHBondContact CD1-OD2 3.42Å; F81-D260 HydrophobicContact CE1-CB 3.98Å; F81-R265 HydrophobicContact CD1-CG 4.14Å; F81-R265 HydrophobicContact CE1-CB 4.26Å; F81-R265 VanDerWaalsContact CE1-CD 3.46Å; F81-R265 HydrophobicContact CE1-CG 3.69Å; F81-R265 HydrophobicContact CZ-CG 4.36Å
82G92.9Very high97.1Very high60 Ų6049.5 Ų49.562%0.61925%0.253SS*.THydrogen-bonded Turntrans78.90.4-176.200000115.2I80I80-G82 PolarHBondContact O-N 3.18Å
83N95.9Very high97.1Very high37 Ų3748.9 Ų48.920%0.19825%0.252CS..EExtended strand (participates in β ladder)trans-97.2128.4177.8-62.8-83.7000111E79 I80 F81 T132 Y133E79-N83 CarbonylContact C-O 3.51Å; E79-N83 VanDerWaalsContact CA-O 3.24Å; E79-N83 WeakPolarHBondContact CA-O 3.21Å; I80-N83 PolarHBondContact N-O 3.45Å; I80-N83 WeakPolarHBondContact O-CB 3.12Å; I80-N83 PolarHBondContact O-N 3.48Å; I80-N83 PolarHBondContact O-ND2 3.11Å; F81-N83 VanDerWaalsContact C-N 3.27Å; F81-N83 PolarHBondContact O-N 2.83Å; F81-N83 PolarHBondContact O-ND2 3.24Å; N83-T132 WeakPolarHBondContact CB-OG1 3.44Å; N83-T132 VanDerWaalsContact OD1-CB 3.27Å; N83-T132 WeakPolarHBondContact OD1-CB 3.14Å; N83-T132 PolarHBondContact OD1-OG1 3.45Å; N83-Y133 HydrophobicContact CB-CD2 4.49Å; N83-Y133 HydrophobicContact CB-CG 4.25Å
84T97.3Very high97.1Very high32 Ų3245.7 Ų45.720%0.19624%0.237CC..EExtended strand (participates in β ladder)trans-75.7132.8-179.8-63.80000111.1R76 F86 S130R76-T84 HydrophobicContact CG-CG2 3.78Å; T84-F86 HydrophobicContact CG2-CD1 4.31Å; T84-F86 HydrophobicContact CG2-CD2 4.19Å; T84-F86 HydrophobicContact CG2-CE1 3.7Å; T84-F86 HydrophobicContact CG2-CE2 3.56Å; T84-F86 HydrophobicContact CG2-CZ 3.29Å; T84-S130 WeakPolarHBondContact O-CB 3.43Å; T84-S130 PolarHBondContact O-OG 3.11Å
85I98.2Very high97Very high0 Ų045.3 Ų45.30%024%0.24CC..EExtended strand (participates in β ladder)trans-108135.1175.8-49.1-53.3000110.1V77 G78 I80 Y133 L135 V204 I206V77-I85 HydrophobicContact CB-CB 4.49Å; V77-I85 PolarHBondContact N-O 2.9Å; G78-I85 PolarHBondContact O-N 3.07Å; I80-I85 HydrophobicContact CB-CG1 4.37Å; I80-I85 HydrophobicContact CD1-CD1 4.39Å; I80-I85 HydrophobicContact CD1-CG1 3.86Å; I80-I85 HydrophobicContact CG1-CD1 4.45Å; I80-I85 HydrophobicContact CG1-CG1 3.82Å; I85-Y133 HydrophobicContact CD1-CD1 4.24Å; I85-L135 HydrophobicContact CD1-CD1 4.48Å; I85-L135 HydrophobicContact CD1-CD2 3.92Å; I85-L135 HydrophobicContact CD1-CG 4.35Å; I85-L135 HydrophobicContact CG2-CD1 3.96Å; I85-V204 HydrophobicContact CG2-CB 4.48Å; I85-V204 HydrophobicContact CG2-CG1 4.07Å; I85-V204 HydrophobicContact CG2-CG2 4.5Å; I85-I206 HydrophobicContact CB-CD1 4.37Å; I85-I206 HydrophobicContact CG1-CD1 4.2Å
86F98.4Very high96.8Very high24 Ų2438.6 Ų38.611%0.10521%0.211CC..EExtended strand (participates in β ladder)trans-119.4142.8180-61.4-77.8000111.6R74 K75 R76 T84 Y128 Y129R74-F86 HydrophobicContact CB-CB 4.4Å; R74-F86 HydrophobicContact CG-CD1 4.01Å; R74-F86 HydrophobicContact CG-CG 4.49Å; K75-F86 WeakPolarHBondContact O-CA 3.26Å; R76-F86 HydrophobicContact CB-CD1 4.15Å; R76-F86 HydrophobicContact CB-CE1 4.05Å; R76-F86 HydrophobicContact CG-CE1 4.37Å; T84-F86 HydrophobicContact CG2-CD1 4.31Å; T84-F86 HydrophobicContact CG2-CD2 4.19Å; T84-F86 HydrophobicContact CG2-CE1 3.7Å; T84-F86 HydrophobicContact CG2-CE2 3.56Å; T84-F86 HydrophobicContact CG2-CZ 3.29Å; F86-Y128 VanDerWaalsContact O-CA 3.27Å; F86-Y128 WeakPolarHBondContact O-CA 3.47Å; F86-Y129 HydrophobicContact CB-CD1 4.11Å; F86-Y129 HydrophobicContact CB-CE1 3.73Å; F86-Y129 HydrophobicContact CD2-CE2 4.31Å; F86-Y129 PolarHBondContact N-O 2.92Å; F86-Y129 PolarHBondContact O-N 3.44Å
87K98.4Very high96.6Very high26 Ų2632.4 Ų32.411%0.11319%0.189CC..EExtended strand (participates in β ladder)trans-99131.1166.1-176.9-176.2173.1-168.70108.6R74 K75 V77 E125 Y128 Y496R74-K87 CarbonylContact C-O 3.54Å; R74-K87 VanDerWaalsContact CA-O 3.28Å; R74-K87 WeakPolarHBondContact CA-O 3.4Å; K75-K87 PolarHBondContact N-O 3.15Å; K75-K87 PolarHBondContact O-N 2.75Å; V77-K87 HydrophobicContact CG2-CB 3.81Å; K87-E125 WeakPolarHBondContact CE-OE2 3.49Å; K87-E125 IonicContact NZ-OE2 2.96Å; K87-E125 PolarHBondContact NZ-OE2 2.9Å; K87-Y128 HydrophobicContact CB-CD1 3.8Å; K87-Y128 HydrophobicContact CB-CE1 3.64Å; K87-Y128 HydrophobicContact CD-CE1 4.04Å; K87-Y128 HydrophobicContact CG-CD1 4.13Å; K87-Y128 HydrophobicContact CG-CE1 3.71Å; K87-Y496 PolarHBondContact NZ-OH 3.19Å
88I98.5Very high96.2Very high10 Ų1037.1 Ų37.15%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-74.3128.6172.9-59.7174.3000108.2W57 I71 F127 Y129 I199W57-I88 HydrophobicContact CZ2-CD1 3.69Å; W57-I88 HydrophobicContact CZ2-CG2 4.47Å; I71-I88 HydrophobicContact CD1-CD1 3.57Å; I71-I88 HydrophobicContact CD1-CG1 3.98Å; I71-I88 HydrophobicContact CG1-CD1 3.94Å; I71-I88 HydrophobicContact CG1-CG1 4.33Å; I71-I88 HydrophobicContact CG2-CG1 4.17Å; I71-I88 HydrophobicContact CG2-CG2 4.17Å; I88-F127 HydrophobicContact CB-CB 4.19Å; I88-F127 HydrophobicContact CD1-CB 4.04Å; I88-F127 HydrophobicContact CG1-CB 4.42Å; I88-F127 PolarHBondContact N-O 3Å; I88-Y129 HydrophobicContact CD1-CD1 3.99Å; I88-Y129 HydrophobicContact CD1-CE1 4.39Å; I88-Y129 HydrophobicContact CG1-CD1 3.63Å; I88-Y129 HydrophobicContact CG1-CE1 3.75Å; I88-I199 HydrophobicContact CD1-CD1 3.7Å; I88-I199 HydrophobicContact CD1-CG1 4.14Å; I88-I199 HydrophobicContact CD1-CG2 3.93Å
89T97.4Very high95.8Very high69 Ų6939.2 Ų39.242%0.42322%0.215SC..EExtended strand (participates in β ladder)trans-112.9-21178.256.30000112.6E73 R74 K75E73-T89 VanDerWaalsContact CB-OG1 3.27Å; E73-T89 WeakPolarHBondContact CB-OG1 3.43Å; E73-T89 PolarHBondContact O-N 3.36Å; E73-T89 PolarHBondContact O-OG1 3.38Å; R74-T89 PolarHBondContact N-OG1 3.46Å; K75-T89 HydrophobicContact CB-CG2 3.89Å
90K97.7Very high95.4Very high98 Ų9838.6 Ų38.643%0.42621%0.214SC..EExtended strand (participates in β ladder)trans-154.5134.7175.2-166.2178.9-178171.80111.5K72 E73K72-K90 PolarHBondContact N-O 3.35Å; E73-K90 HydrophobicContact CB-CB 3.74Å; E73-K90 VanDerWaalsContact CD-CD 3.41Å; E73-K90 HydrophobicContact CG-CB 3.99Å; E73-K90 HydrophobicContact CG-CD 4.04Å; E73-K90 PolarHBondContact N-O 3.14Å; E73-K90 VanDerWaalsContact N-O 3.11Å; E73-K90 PolarHBondContact O-N 2.96Å; E73-K90 WeakPolarHBondContact OE1-CD 3.44Å; E73-K90 IonicContact OE1-NZ 3.12Å; E73-K90 PolarHBondContact OE1-NZ 3.41Å
91S98.1Very high95Very high22 Ų2246.3 Ų46.315%0.15425%0.254CS..EExtended strand (participates in β ladder)trans-118.6152.4172.8-53.10000109.7W57 V70W57-S91 PolarHBondContact NE1-OG 3.02Å; V70-S91 CarbonylContact O-C 3.54Å; V70-S91 VanDerWaalsContact O-CA 3.24Å; V70-S91 WeakPolarHBondContact O-CA 3.43Å
92V96.9Very high94.6Very high47 Ų4750.1 Ų50.129%0.28527%0.272SS..EExtended strand (participates in β ladder)trans-127.9138.2178.1176.60000108.8I69 V70 K72 L94I69-V92 WeakPolarHBondContact CA-O 3.5Å; V70-V92 HydrophobicContact CG2-CB 4.05Å; V70-V92 PolarHBondContact N-O 3.03Å; V70-V92 PolarHBondContact O-N 2.91Å; K72-V92 HydrophobicContact CB-CB 4.48Å; K72-V92 HydrophobicContact CB-CG2 3.63Å; K72-V92 HydrophobicContact CG-CG2 3.91Å; V92-L94 HydrophobicContact CG1-CD2 3.73Å; V92-L94 HydrophobicContact CG1-CG 4.08Å
93I97.8Very high94.4Very high32 Ų3248 Ų4816%0.16425%0.247CC..EExtended strand (participates in β ladder)trans-104.1124.2178.1-48.6169.4000107.5Y67 I69 L118 L122Y67-I93 HydrophobicContact CD1-CG2 3.37Å; Y67-I93 HydrophobicContact CE1-CG2 4.24Å; Y67-I93 HydrophobicContact CG-CG2 3.99Å; I69-I93 HydrophobicContact CG1-CG1 4.42Å; I69-I93 HydrophobicContact CG1-CG2 4.29Å; I93-L118 HydrophobicContact CD1-CB 3.54Å; I93-L118 HydrophobicContact CD1-CD1 4.38Å; I93-L122 HydrophobicContact CD1-CD1 3.95Å; I93-L122 HydrophobicContact CG1-CD1 3.72Å
94L96.8Very high94.2Very high15 Ų1550 Ų508%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-121.3113.4-173.9-61.1171.1000110L8 I10 Y15 Y67 L68 V70 V92L8-L94 HydrophobicContact CD2-CD1 3.55Å; I10-L94 HydrophobicContact CD1-CD2 4.17Å; Y15-L94 HydrophobicContact CE2-CB 3.97Å; Y67-L94 CarbonylContact C-O 3.55Å; Y67-L94 VanDerWaalsContact CA-O 3.31Å; Y67-L94 WeakPolarHBondContact CA-O 3.41Å; L68-L94 HydrophobicContact CB-CB 4.31Å; L68-L94 HydrophobicContact CD2-CD1 4.39Å; L68-L94 PolarHBondContact N-O 3.4Å; L68-L94 PolarHBondContact O-N 2.95Å; V70-L94 HydrophobicContact CG1-CD1 4.38Å; V70-L94 HydrophobicContact CG2-CD1 4.13Å; V92-L94 HydrophobicContact CG1-CD2 3.73Å; V92-L94 HydrophobicContact CG1-CG 4.08Å
95P96.2Very high93.7Very high36 Ų3655.3 Ų55.323%0.23429%0.288CS..EExtended strand (participates in β ladder)trans-68.5133.9178.525.3-31.5000111.3Y15 R30 Y67Y15-P95 VanDerWaalsContact CE2-O 3.25Å; Y15-P95 WeakPolarHBondContact CE2-O 3.23Å; Y15-P95 PolarHBondContact OH-O 3.49Å; R30-P95 PolarHBondContact NE-O 2.85Å; Y67-P95 VanDerWaalsContact CD1-CA 3.48Å; Y67-P95 HydrophobicContact CD1-CB 3.88Å; Y67-P95 HydrophobicContact CE1-CB 3.45Å; Y67-P95 VanDerWaalsContact CE1-CB 3.45Å; Y67-P95 HydrophobicContact CE1-CG 4.12Å; Y67-P95 HydrophobicContact CE2-CB 4.35Å
96F94.3Very high93.1Very high0 Ų060.1 Ų60.10%031%0.312CS..SBendtrans-63.7-49.2167.1-81.139.5000108.9I28 R30 Q33 L59 F66 L68 R98I28-F96 HydrophobicContact CD1-CE1 3.89Å; I28-F96 HydrophobicContact CD1-CZ 3.77Å; I28-F96 HydrophobicContact CG1-CE2 4.37Å; I28-F96 HydrophobicContact CG1-CZ 4.07Å; I28-F96 HydrophobicContact CG2-CB 4.49Å; I28-F96 HydrophobicContact CG2-CD1 4.01Å; I28-F96 HydrophobicContact CG2-CD2 3.48Å; I28-F96 VanDerWaalsContact CG2-CD2 3.48Å; I28-F96 HydrophobicContact CG2-CE1 4.05Å; I28-F96 HydrophobicContact CG2-CE2 3.52Å; I28-F96 HydrophobicContact CG2-CG 3.73Å; I28-F96 HydrophobicContact CG2-CZ 3.8Å; R30-F96 WeakPolarHBondContact CA-O 3.2Å; R30-F96 WeakPolarHBondContact CB-O 3.47Å; R30-F96 VanDerWaalsContact CG-O 3.28Å; R30-F96 WeakPolarHBondContact CG-O 3.46Å; R30-F96 PolarHBondContact NE-O 2.72Å; Q33-F96 HydrophobicContact CB-CB 4.32Å; Q33-F96 HydrophobicContact CB-CD2 4.36Å; Q33-F96 HydrophobicContact CG-CB 4.33Å; L59-F96 HydrophobicContact CD1-CZ 4.16Å; L59-F96 HydrophobicContact CD2-CE1 3.58Å; L59-F96 HydrophobicContact CD2-CZ 3.63Å; F66-F96 HydrophobicContact CB-CB 4.38Å; F66-F96 HydrophobicContact CB-CD1 3.96Å; F66-F96 HydrophobicContact CB-CD2 3.92Å; F66-F96 HydrophobicContact CB-CE1 4.18Å; F66-F96 HydrophobicContact CB-CE2 4.17Å; F66-F96 HydrophobicContact CB-CG 3.83Å; F66-F96 HydrophobicContact CB-CZ 4.3Å; F66-F96 VanDerWaalsContact O-CB 3.23Å; F66-F96 WeakPolarHBondContact O-CB 3.46Å; F66-F96 WeakPolarHBondContact O-CD1 3.41Å; F66-F96 WeakPolarHBondContact O-CG 3.33Å; F66-F96 PolarHBondContact O-N 2.85Å; L68-F96 HydrophobicContact CB-CE1 3.93Å; F96-R98 PolarHBondContact O-N 3.35Å
97A92.5Very high92.7Very high5 Ų561.5 Ų61.54%0.04132%0.319CS..SBendtrans-55.9130.1178.800000111.6R30 S99R30-A97 PolarHBondContact NH2-O 2.75Å; A97-S99 VanDerWaalsContact C-N 3.28Å; A97-S99 PolarHBondContact O-N 3.21Å
98R88.9Confident92.3Very high145 Ų14562.8 Ų62.855%0.54733%0.327SS..SBendtrans-63-35.4174.2179.8177171.7171.48.7112.6D13 R30 F96D13-R98 IonicContact OD1-CZ 3.21Å; D13-R98 IonicContact OD1-NE 3.7Å; D13-R98 IonicContact OD1-NH1 2.66Å; D13-R98 PolarHBondContact OD1-NH1 3.26Å; D13-R98 IonicContact OD1-NH2 3.9Å; R30-R98 HydrophobicContact CB-CB 4.3Å; R30-R98 PolarHBondContact O-N 2.87Å; R30-R98 VanDerWaalsContact O-N 3.12Å; F96-R98 PolarHBondContact O-N 3.35Å
99S88.6Confident91.8Very high52 Ų5267.7 Ų67.736%0.36435%0.35SS..  trans-148.2148.6-171.9-179.60000111.8A97 L101 H102A97-S99 VanDerWaalsContact C-N 3.28Å; A97-S99 PolarHBondContact O-N 3.21Å; S99-L101 WeakPolarHBondContact OG-CD1 3.47Å; S99-L101 WeakPolarHBondContact OG-CG 3.45Å; S99-L101 PolarHBondContact OG-N 2.68Å; S99-H102 PolarHBondContact O-CE1 2.88Å; S99-H102 VanDerWaalsContact O-CE1 3.31Å; S99-H102 PolarHBondContact O-ND1 3.33Å; S99-H102 VanDerWaalsContact O-ND1 3.08Å
100L87.6Confident91.4Very high67 Ų6764.6 Ų64.635%0.35133%0.331SS..SBendtrans-93.25.7176.5-56-179.8000113.1S64 H102 L103S64-L100 VanDerWaalsContact CB-CD2 3.41Å; L100-H102 PolarHBondContact O-N 2.95Å; L100-L103 HydrophobicContact CB-CD1 4.38Å; L100-L103 HydrophobicContact CD2-CD1 4.23Å; L100-L103 WeakPolarHBondContact O-CB 3.32Å; L100-L103 PolarHBondContact O-N 3.02Å
101L88.3Confident91.2Very high163 Ų16360.1 Ų60.185%0.85331%0.311SS*.THydrogen-bonded Turntrans-62-16.1-177.2-70.1170.6000114.7S99 L103S99-L101 WeakPolarHBondContact OG-CD1 3.47Å; S99-L101 WeakPolarHBondContact OG-CG 3.45Å; S99-L101 PolarHBondContact OG-N 2.68Å; L101-L103 VanDerWaalsContact C-N 3.28Å
102H86.7Confident90.9Very high112 Ų11262.9 Ų62.952%0.51933%0.331SS..THydrogen-bonded Turntrans-81-9.6176.465.8-83.6000112.9S99 L100S99-H102 PolarHBondContact O-CE1 2.88Å; S99-H102 VanDerWaalsContact O-CE1 3.31Å; S99-H102 PolarHBondContact O-ND1 3.33Å; S99-H102 VanDerWaalsContact O-ND1 3.08Å; L100-H102 PolarHBondContact O-N 2.95Å
103L89Confident90.7Very high17 Ų1762.4 Ų62.49%0.08933%0.328CS..SBendtrans-88.2143.3178.7-61.8-171.9000111.2V63 L100 L101 Q107 N108 E111V63-L103 HydrophobicContact CG1-CD1 4.45Å; V63-L103 HydrophobicContact CG1-CD2 3.85Å; L100-L103 HydrophobicContact CB-CD1 4.38Å; L100-L103 HydrophobicContact CD2-CD1 4.23Å; L100-L103 WeakPolarHBondContact O-CB 3.32Å; L100-L103 PolarHBondContact O-N 3.02Å; L101-L103 VanDerWaalsContact C-N 3.28Å; L103-Q107 HydrophobicContact CB-CB 3.92Å; L103-Q107 HydrophobicContact CD2-CB 4.16Å; L103-Q107 HydrophobicContact CG-CB 4.43Å; L103-N108 WeakPolarHBondContact CB-OD1 3.33Å; L103-N108 WeakPolarHBondContact CD1-OD1 3.43Å; L103-N108 PolarHBondContact O-ND2 2.9Å; L103-E111 HydrophobicContact CD1-CB 4.14Å; L103-E111 HydrophobicContact CD1-CG 4.29Å
104T90Very high90.5Very high78 Ų7860.9 Ų60.948%0.47932%0.32SS..  trans-69.6166.4166.967.60000111.2I106 Q107 N108T104-I106 VanDerWaalsContact C-N 3.29Å; T104-I106 PolarHBondContact O-N 3.47Å; T104-Q107 PolarHBondContact O-N 3.33Å; T104-Q107 VanDerWaalsContact O-N 3.15Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.48Å; T104-Q107 PolarHBondContact OG1-N 3.5Å; T104-Q107 PolarHBondContact OG1-OE1 3.07Å; T104-N108 PolarHBondContact O-N 2.89Å; T104-N108 PolarHBondContact O-ND2 3.06Å
105D87.6Confident90.5Very high143 Ų14361.6 Ų61.677%0.76533%0.326SS*.Hα-helixtrans-58-40.7178.6-65.2-31.9000112.7N108 Q109D105-N108 PolarHBondContact O-N 3.42Å; D105-Q109 PolarHBondContact O-N 3.45Å
106I85.8Confident90.5Very high101 Ų10165.4 Ų65.452%0.51834%0.341SS..Hα-helixtrans-65.9-44177-61.4171.9000110.3T104 N108 Q109 D110T104-I106 VanDerWaalsContact C-N 3.29Å; T104-I106 PolarHBondContact O-N 3.47Å; I106-N108 VanDerWaalsContact C-N 3.33Å; I106-N108 PolarHBondContact O-N 3.26Å; I106-Q109 WeakPolarHBondContact O-CB 3.22Å; I106-Q109 PolarHBondContact O-N 2.92Å; I106-D110 PolarHBondContact O-N 2.86Å
107Q89.7Confident90.5Very high54 Ų5465.5 Ų65.525%0.25234%0.341SS..Hα-helixtrans-64.5-37.7177.6-76.1173.5-27.400112.3V63 L103 T104 Q109 D110 E111 L563V63-Q107 HydrophobicContact CG1-CB 3.88Å; V63-Q107 HydrophobicContact CG1-CG 3.95Å; L103-Q107 HydrophobicContact CB-CB 3.92Å; L103-Q107 HydrophobicContact CD2-CB 4.16Å; L103-Q107 HydrophobicContact CG-CB 4.43Å; T104-Q107 PolarHBondContact O-N 3.33Å; T104-Q107 VanDerWaalsContact O-N 3.15Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.48Å; T104-Q107 PolarHBondContact OG1-N 3.5Å; T104-Q107 PolarHBondContact OG1-OE1 3.07Å; Q107-Q109 VanDerWaalsContact C-N 3.32Å; Q107-D110 PolarHBondContact O-N 3.16Å; Q107-E111 VanDerWaalsContact O-CB 3.28Å; Q107-E111 WeakPolarHBondContact O-CB 3.16Å; Q107-E111 PolarHBondContact O-N 3.35Å; Q107-L563 HydrophobicContact CG-CD2 3.89Å
108N89.8Confident90.7Very high52 Ų5265.3 Ų65.328%0.27834%0.339SS..Hα-helixtrans-64-37.7173.6-83.3-46.6000111.8L103 T104 D105 I106 S112L103-N108 WeakPolarHBondContact CB-OD1 3.33Å; L103-N108 WeakPolarHBondContact CD1-OD1 3.43Å; L103-N108 PolarHBondContact O-ND2 2.9Å; T104-N108 PolarHBondContact O-N 2.89Å; T104-N108 PolarHBondContact O-ND2 3.06Å; D105-N108 PolarHBondContact O-N 3.42Å; I106-N108 VanDerWaalsContact C-N 3.33Å; I106-N108 PolarHBondContact O-N 3.26Å; N108-S112 WeakPolarHBondContact O-CB 3.21Å; N108-S112 PolarHBondContact O-N 2.93Å
109Q87.7Confident91.1Very high114 Ų11460.9 Ų60.953%0.53333%0.33SS..Hα-helixtrans-65.4-47.1174.1-173.8175.36.700111.4D105 I106 Q107 E111 S112 V113D105-Q109 PolarHBondContact O-N 3.45Å; I106-Q109 WeakPolarHBondContact O-CB 3.22Å; I106-Q109 PolarHBondContact O-N 2.92Å; Q107-Q109 VanDerWaalsContact C-N 3.32Å; Q109-E111 VanDerWaalsContact C-N 3.35Å; Q109-E111 PolarHBondContact O-N 2.88Å; Q109-S112 WeakPolarHBondContact O-CB 3.24Å; Q109-S112 PolarHBondContact O-N 2.88Å; Q109-V113 WeakPolarHBondContact O-CG2 3.18Å; Q109-V113 PolarHBondContact O-N 3.22Å
110D90Very high91.4Very high4 Ų460.5 Ų60.52%0.02133%0.328CS..Hα-helixtrans-59.7-45.4177-73.4-3.1000111.3V63 I106 Q107 S112 V113 Y114 L566 H567V63-D110 HydrophobicContact CG2-CB 4.3Å; I106-D110 PolarHBondContact O-N 2.86Å; Q107-D110 PolarHBondContact O-N 3.16Å; D110-S112 VanDerWaalsContact C-N 3.33Å; D110-S112 PolarHBondContact O-N 3.4Å; D110-V113 WeakPolarHBondContact O-CB 3.18Å; D110-V113 PolarHBondContact O-N 2.91Å; D110-V113 VanDerWaalsContact O-N 3.15Å; D110-Y114 HydrophobicContact CB-CD2 4.5Å; D110-Y114 HydrophobicContact CB-CE2 4.09Å; D110-Y114 WeakPolarHBondContact O-CD2 3.49Å; D110-Y114 PolarHBondContact O-N 3.39Å; D110-L566 HydrophobicContact CB-CB 4.35Å; D110-L566 HydrophobicContact CB-CD2 4.34Å; D110-L566 WeakPolarHBondContact OD1-CB 3.25Å; D110-H567 IonicContact OD1-CD2 3.11Å; D110-H567 PolarHBondContact OD1-CD2 3.43Å; D110-H567 IonicContact OD1-NE2 3.97Å
111E92.4Very high91.7Very high3 Ų357.5 Ų57.51%0.01431%0.312CS..Hα-helixtrans-58.2-44.5177.1-172.274.915400112L62 V63 S64 Y67 L103 Q107 Q109 V113 Y114 C115L62-E111 WeakPolarHBondContact CB-OE2 3.49Å; V63-E111 WeakPolarHBondContact CA-OE2 3.44Å; V63-E111 HydrophobicContact CB-CB 4.37Å; V63-E111 WeakPolarHBondContact CB-OE2 3.44Å; V63-E111 HydrophobicContact CG2-CB 4.4Å; V63-E111 VanDerWaalsContact CG2-OE2 3.31Å; V63-E111 WeakPolarHBondContact CG2-OE2 3.19Å; V63-E111 PolarHBondContact N-OE2 2.95Å; S64-E111 WeakPolarHBondContact CB-OE1 3.33Å; S64-E111 PolarHBondContact N-OE1 3.41Å; S64-E111 VanDerWaalsContact N-OE1 3.14Å; S64-E111 PolarHBondContact OG-OE1 3.49Å; Y67-E111 WeakPolarHBondContact CE2-OE1 3.35Å; Y67-E111 PolarHBondContact OH-OE1 3.46Å; L103-E111 HydrophobicContact CD1-CB 4.14Å; L103-E111 HydrophobicContact CD1-CG 4.29Å; Q107-E111 VanDerWaalsContact O-CB 3.28Å; Q107-E111 WeakPolarHBondContact O-CB 3.16Å; Q107-E111 PolarHBondContact O-N 3.35Å; Q109-E111 VanDerWaalsContact C-N 3.35Å; Q109-E111 PolarHBondContact O-N 2.88Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 2.87Å; E111-Y114 PolarHBondContact O-N 3.07Å; E111-C115 WeakPolarHBondContact O-CB 3.29Å; E111-C115 PolarHBondContact O-N 3.2Å; E111-C115 PolarHBondContact O-SG 2.73Å
112S92.7Very high92.2Very high81 Ų8150.3 Ų50.357%0.56628%0.275SS*.Hα-helixtrans-61.3-42.2176.7-175.10000111.6N108 Q109 D110 C115 H116N108-S112 WeakPolarHBondContact O-CB 3.21Å; N108-S112 PolarHBondContact O-N 2.93Å; Q109-S112 WeakPolarHBondContact O-CB 3.24Å; Q109-S112 PolarHBondContact O-N 2.88Å; D110-S112 VanDerWaalsContact C-N 3.33Å; D110-S112 PolarHBondContact O-N 3.4Å; S112-C115 PolarHBondContact O-N 3.14Å; S112-H116 WeakPolarHBondContact O-CB 3.45Å; S112-H116 PolarHBondContact O-N 2.68Å
113V92.1Very high92.5Very high36 Ų3649.6 Ų49.622%0.21828%0.282CS..Hα-helixtrans-63.4-46.2176.4174.90000111.2Q109 D110 E111 H116 M117 L566Q109-V113 WeakPolarHBondContact O-CG2 3.18Å; Q109-V113 PolarHBondContact O-N 3.22Å; D110-V113 WeakPolarHBondContact O-CB 3.18Å; D110-V113 PolarHBondContact O-N 2.91Å; D110-V113 VanDerWaalsContact O-N 3.15Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 2.87Å; V113-H116 WeakPolarHBondContact O-CB 3.46Å; V113-H116 PolarHBondContact O-N 3.49Å; V113-M117 HydrophobicContact CG1-CE 3.73Å; V113-M117 HydrophobicContact CG1-SD 4.36Å; V113-M117 WeakPolarHBondContact O-CG 3.12Å; V113-M117 PolarHBondContact O-N 2.99Å; V113-L566 HydrophobicContact CB-CD2 3.95Å; V113-L566 HydrophobicContact CG1-CD2 3.78Å; V113-L566 HydrophobicContact CG2-CD2 4.49Å
114Y94.8Very high92.7Very high0 Ų050.7 Ų50.70%029%0.291CS..Hα-helixtrans-63.9-42.6177.6-65.6-52.8000112.5L62 V63 D110 E111 H116 M117 L118 L549 Y554 V556 L566 F645L62-Y114 HydrophobicContact CD2-CG 4.48Å; V63-Y114 HydrophobicContact CG2-CD2 3.86Å; V63-Y114 HydrophobicContact CG2-CE2 3.78Å; D110-Y114 HydrophobicContact CB-CD2 4.5Å; D110-Y114 HydrophobicContact CB-CE2 4.09Å; D110-Y114 WeakPolarHBondContact O-CD2 3.49Å; D110-Y114 PolarHBondContact O-N 3.39Å; E111-Y114 PolarHBondContact O-N 3.07Å; Y114-H116 VanDerWaalsContact C-N 3.28Å; Y114-H116 PolarHBondContact O-N 2.84Å; Y114-M117 HydrophobicContact CD1-SD 4.2Å; Y114-M117 WeakPolarHBondContact O-CB 3.39Å; Y114-M117 PolarHBondContact O-N 2.85Å; Y114-L118 PolarHBondContact O-N 2.84Å; Y114-L549 HydrophobicContact CD1-CD2 4.04Å; Y114-Y554 AromaticContact CE1-CE1 3.76Å; Y114-Y554 HydrophobicContact CE1-CE1 3.76Å; Y114-Y554 PolarHBondContact OH-OH 2.91Å; Y114-Y554 VanDerWaalsContact OH-OH 3.08Å; Y114-V556 HydrophobicContact CD1-CG2 4.22Å; Y114-V556 HydrophobicContact CD2-CG1 4.48Å; Y114-V556 HydrophobicContact CD2-CG2 4.2Å; Y114-V556 HydrophobicContact CE1-CG2 4Å; Y114-V556 HydrophobicContact CE2-CG1 3.85Å; Y114-V556 HydrophobicContact CE2-CG2 3.99Å; Y114-V556 HydrophobicContact CG-CG2 4.32Å; Y114-L566 HydrophobicContact CE1-CD1 4.1Å; Y114-L566 HydrophobicContact CE1-CD2 4.27Å; Y114-F645 AromaticContact CE1-CZ 3.9Å; Y114-F645 HydrophobicContact CE1-CZ 3.9Å
115C95.7Very high92.7Very high30 Ų3050.8 Ų50.820%0.20329%0.286CS..Hα-helixtrans-60.8-39174.5-72.70000111.7E111 S112 S119E111-C115 WeakPolarHBondContact O-CB 3.29Å; E111-C115 PolarHBondContact O-N 3.2Å; E111-C115 PolarHBondContact O-SG 2.73Å; S112-C115 PolarHBondContact O-N 3.14Å; C115-S119 VanDerWaalsContact O-CB 3.32Å; C115-S119 WeakPolarHBondContact O-CB 3.44Å; C115-S119 PolarHBondContact O-N 3.27Å; C115-S119 PolarHBondContact O-OG 2.87Å
116H95.7Very high93.1Very high117 Ų11744 Ų4454%0.54225%0.25SS..Hα-helixtrans-66.8-41.7176.1-169.459.7000111.9S112 V113 Y114 S119 S120 F542S112-H116 WeakPolarHBondContact O-CB 3.45Å; S112-H116 PolarHBondContact O-N 2.68Å; V113-H116 WeakPolarHBondContact O-CB 3.46Å; V113-H116 PolarHBondContact O-N 3.49Å; Y114-H116 VanDerWaalsContact C-N 3.28Å; Y114-H116 PolarHBondContact O-N 2.84Å; H116-S119 PolarHBondContact O-N 3.36Å; H116-S120 WeakPolarHBondContact O-CB 3.28Å; H116-S120 PolarHBondContact O-N 2.91Å; H116-F542 HydrophobicContact CB-CZ 4.37Å; H116-F542 AromaticContact CD2-CE1 3.95Å; H116-F542 AromaticContact CD2-CE2 3.97Å; H116-F542 AromaticContact CD2-CZ 3.3Å; H116-F542 WeakPolarHBondContact CD2-CZ 3.5Å
117M95.1Very high93.7Very high2 Ų239.3 Ų39.31%0.0123%0.226CC..Hα-helixtrans-57.9-51.9174.9-75175.1176.100111.2V113 Y114 S119 S120 I121 F542 D545 S546 L549 F645V113-M117 HydrophobicContact CG1-CE 3.73Å; V113-M117 HydrophobicContact CG1-SD 4.36Å; V113-M117 WeakPolarHBondContact O-CG 3.12Å; V113-M117 PolarHBondContact O-N 2.99Å; Y114-M117 HydrophobicContact CD1-SD 4.2Å; Y114-M117 WeakPolarHBondContact O-CB 3.39Å; Y114-M117 PolarHBondContact O-N 2.85Å; M117-S119 PolarHBondContact O-N 3.39Å; M117-S120 WeakPolarHBondContact O-CB 3.36Å; M117-S120 PolarHBondContact O-N 3.44Å; M117-I121 WeakPolarHBondContact O-CG2 3.36Å; M117-I121 PolarHBondContact O-N 3.26Å; M117-F542 HydrophobicContact CB-CE2 4.41Å; M117-F542 HydrophobicContact CB-CZ 4.08Å; M117-F542 HydrophobicContact CE-CD2 3.96Å; M117-F542 HydrophobicContact CE-CE2 3.92Å; M117-F542 HydrophobicContact CG-CD2 4.07Å; M117-F542 HydrophobicContact CG-CE1 4.29Å; M117-F542 HydrophobicContact CG-CE2 3.32Å; M117-F542 HydrophobicContact CG-CZ 3.44Å; M117-F542 VanDerWaalsContact CG-CZ 3.44Å; M117-F542 HydrophobicContact SD-CE2 4.5Å; M117-D545 HydrophobicContact CE-CB 3.88Å; M117-D545 HydrophobicContact SD-CB 4.33Å; M117-S546 WeakPolarHBondContact CA-OG 3.35Å; M117-S546 WeakPolarHBondContact CB-OG 3.22Å; M117-S546 WeakPolarHBondContact O-CB 3.38Å; M117-S546 PolarHBondContact O-OG 3.03Å; M117-L549 HydrophobicContact CB-CD2 3.96Å; M117-L549 HydrophobicContact SD-CD2 4.32Å; M117-F645 HydrophobicContact CE-CE2 4.14Å; M117-F645 HydrophobicContact CE-CZ 4Å; M117-F645 HydrophobicContact SD-CE2 3.81Å; M117-F645 HydrophobicContact SD-CZ 4Å
118L97.3Very high94.2Very high0 Ų036.9 Ų36.90%021%0.214CC..Hα-helixtrans-60-45.8177.4-70.6174.1000111.8V60 L62 I93 Y114 S120 I121 L122 L549 L550V60-L118 HydrophobicContact CG1-CD1 3.73Å; L62-L118 HydrophobicContact CD1-CD1 3.95Å; L62-L118 HydrophobicContact CD2-CD1 4.15Å; L62-L118 HydrophobicContact CG-CD1 4.46Å; I93-L118 HydrophobicContact CD1-CB 3.54Å; I93-L118 HydrophobicContact CD1-CD1 4.38Å; Y114-L118 PolarHBondContact O-N 2.84Å; L118-S120 VanDerWaalsContact C-N 3.28Å; L118-S120 PolarHBondContact O-N 3.44Å; L118-I121 WeakPolarHBondContact O-CG2 3.41Å; L118-I121 PolarHBondContact O-N 3.35Å; L118-L122 HydrophobicContact CB-CD1 4.48Å; L118-L122 WeakPolarHBondContact O-CB 3.28Å; L118-L122 WeakPolarHBondContact O-CD1 3.11Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 3.01Å; L118-L549 HydrophobicContact CD2-CD2 3.96Å; L118-L549 HydrophobicContact CD2-CG 4Å; L118-L549 HydrophobicContact CG-CD2 3.8Å; L118-L549 HydrophobicContact CG-CG 4.37Å; L118-L550 HydrophobicContact CD2-CD1 4.34Å
119S96.7Very high94.6Very high52 Ų5234.4 Ų34.436%0.36420%0.201SC..Hα-helixtrans-61.4-39.3178.8-60.20000111.7C115 H116 M117 S123C115-S119 VanDerWaalsContact O-CB 3.32Å; C115-S119 WeakPolarHBondContact O-CB 3.44Å; C115-S119 PolarHBondContact O-N 3.27Å; C115-S119 PolarHBondContact O-OG 2.87Å; H116-S119 PolarHBondContact O-N 3.36Å; M117-S119 PolarHBondContact O-N 3.39Å; S119-S123 VanDerWaalsContact O-CB 3.29Å; S119-S123 WeakPolarHBondContact O-CB 3.47Å; S119-S123 PolarHBondContact O-N 3.47Å; S119-S123 PolarHBondContact O-OG 3.4Å
120S94.3Very high95Very high45 Ų4529.1 Ų29.132%0.31518%0.177SC..Hα-helixtrans-64.1-50.9178.2-176.40000112H116 M117 L118 S123 S124H116-S120 WeakPolarHBondContact O-CB 3.28Å; H116-S120 PolarHBondContact O-N 2.91Å; M117-S120 WeakPolarHBondContact O-CB 3.36Å; M117-S120 PolarHBondContact O-N 3.44Å; L118-S120 VanDerWaalsContact C-N 3.28Å; L118-S120 PolarHBondContact O-N 3.44Å; S120-S123 PolarHBondContact O-N 3.3Å; S120-S124 PolarHBondContact O-N 2.86Å; S120-S124 PolarHBondContact O-OG 3.44Å
121I95.4Very high95.3Very high4 Ų429.3 Ų29.32%0.02118%0.178CC..Hα-helixtrans-70.9-37.2-179.5-171.162.5000112.3M117 L118 S123 S124 F127 M547 L550M117-I121 WeakPolarHBondContact O-CG2 3.36Å; M117-I121 PolarHBondContact O-N 3.26Å; L118-I121 WeakPolarHBondContact O-CG2 3.41Å; L118-I121 PolarHBondContact O-N 3.35Å; I121-S123 PolarHBondContact O-N 2.94Å; I121-S124 WeakPolarHBondContact O-CB 3.17Å; I121-S124 PolarHBondContact O-N 3.36Å; I121-S124 PolarHBondContact O-OG 3.01Å; I121-F127 WeakPolarHBondContact O-CE2 3.37Å; I121-M547 HydrophobicContact CD1-CE 4.43Å; I121-M547 HydrophobicContact CD1-CG 3.69Å; I121-M547 HydrophobicContact CG1-CG 4.42Å; I121-L550 HydrophobicContact CG1-CB 4.45Å; I121-L550 HydrophobicContact CG1-CD2 3.67Å; I121-L550 HydrophobicContact CG2-CB 3.92Å; I121-L550 HydrophobicContact CG2-CD1 4.29Å; I121-L550 HydrophobicContact CG2-CD2 4.02Å; I121-L550 HydrophobicContact CG2-CG 4.3Å
122L96.8Very high95.3Very high12 Ų1232 Ų326%0.06320%0.195CC..Hα-helixtrans-68.1-22.9176.2-70.8170.7000113.2W57 I69 I93 L118 S124 L550W57-L122 HydrophobicContact CD2-CD2 3.81Å; W57-L122 HydrophobicContact CE3-CD2 3.96Å; W57-L122 HydrophobicContact CG-CD2 4.47Å; W57-L122 HydrophobicContact CH2-CD2 3.85Å; W57-L122 HydrophobicContact CZ2-CD2 3.68Å; W57-L122 HydrophobicContact CZ3-CD2 3.99Å; I69-L122 HydrophobicContact CD1-CD1 4.28Å; I69-L122 HydrophobicContact CG2-CD1 3.63Å; I69-L122 HydrophobicContact CG2-CD2 4.01Å; I93-L122 HydrophobicContact CD1-CD1 3.95Å; I93-L122 HydrophobicContact CG1-CD1 3.72Å; L118-L122 HydrophobicContact CB-CD1 4.48Å; L118-L122 WeakPolarHBondContact O-CB 3.28Å; L118-L122 WeakPolarHBondContact O-CD1 3.11Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 3.01Å; L122-S124 VanDerWaalsContact C-N 3.26Å; L122-L550 HydrophobicContact CD2-CD1 3.95Å; L122-L550 HydrophobicContact CG-CD1 4.4Å
123S94.3Very high95.4Very high97 Ų9729 Ų2968%0.67817%0.171SC*.THydrogen-bonded Turntrans-83.6-2.6171.5-56.20000112.6S119 S120 I121S119-S123 VanDerWaalsContact O-CB 3.29Å; S119-S123 WeakPolarHBondContact O-CB 3.47Å; S119-S123 PolarHBondContact O-N 3.47Å; S119-S123 PolarHBondContact O-OG 3.4Å; S120-S123 PolarHBondContact O-N 3.3Å; I121-S123 PolarHBondContact O-N 2.94Å
124S92.3Very high95.5Very high39 Ų3927.3 Ų27.327%0.27316%0.161SC..SBendtrans-71.1143.2175.4-61.10000110.9S120 I121 L122 F127S120-S124 PolarHBondContact O-N 2.86Å; S120-S124 PolarHBondContact O-OG 3.44Å; I121-S124 WeakPolarHBondContact O-CB 3.17Å; I121-S124 PolarHBondContact O-N 3.36Å; I121-S124 PolarHBondContact O-OG 3.01Å; L122-S124 VanDerWaalsContact C-N 3.26Å; S124-F127 WeakPolarHBondContact O-CD2 3.31Å
125E91.4Very high95.7Very high80 Ų8027.6 Ų27.637%0.37416%0.163SC..SBendtrans-76.5148.9-176.5-71.7-69.1157.400112.8K87 Y496 L499 Q500K87-E125 WeakPolarHBondContact CE-OE2 3.49Å; K87-E125 IonicContact NZ-OE2 2.96Å; K87-E125 PolarHBondContact NZ-OE2 2.9Å; E125-Y496 HydrophobicContact CB-CD1 4.24Å; E125-Y496 HydrophobicContact CB-CE1 3.92Å; E125-L499 HydrophobicContact CB-CD2 3.71Å; E125-L499 HydrophobicContact CG-CD2 3.99Å; E125-Q500 PolarHBondContact O-NE2 3.12Å
126G95.7Very high95.8Very high1 Ų126.2 Ų26.21%0.0115%0.153CC..  trans9231.6167.900000115.5Y128 Q201 G202G126-Y128 VanDerWaalsContact C-CE2 3.4Å; G126-Y128 VanDerWaalsContact CA-CE2 3.44Å; G126-Y128 VanDerWaalsContact O-CD2 3.23Å; G126-Y128 WeakPolarHBondContact O-CD2 3.42Å; G126-Y128 VanDerWaalsContact O-CE2 3.27Å; G126-Y128 WeakPolarHBondContact O-CE2 3.46Å; G126-Q201 CarbonylContact O-C 3.48Å; G126-Q201 WeakPolarHBondContact O-CA 3.18Å; G126-G202 PolarHBondContact O-N 3.22Å
127F98.5Very high95.8Very high2 Ų221.2 Ų21.21%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-88.2130.2162.3-66.2-72.8000111W57 I88 I121 S124 W164 I199 I200 Q201 L550W57-F127 HydrophobicContact CH2-CB 4.15Å; W57-F127 AromaticContact CH2-CD1 3.54Å; W57-F127 HydrophobicContact CH2-CD1 3.54Å; W57-F127 AromaticContact CH2-CD2 3.78Å; W57-F127 HydrophobicContact CH2-CD2 3.78Å; W57-F127 AromaticContact CH2-CE1 3.72Å; W57-F127 HydrophobicContact CH2-CE1 3.72Å; W57-F127 AromaticContact CH2-CE2 3.96Å; W57-F127 HydrophobicContact CH2-CE2 3.96Å; W57-F127 AromaticContact CH2-CG 3.56Å; W57-F127 HydrophobicContact CH2-CG 3.56Å; W57-F127 AromaticContact CH2-CZ 3.92Å; W57-F127 HydrophobicContact CH2-CZ 3.92Å; W57-F127 HydrophobicContact CZ2-CB 4.27Å; W57-F127 HydrophobicContact CZ2-CD1 4.45Å; W57-F127 HydrophobicContact CZ2-CD2 4.17Å; W57-F127 HydrophobicContact CZ2-CG 4.06Å; W57-F127 HydrophobicContact CZ3-CD1 4.27Å; W57-F127 HydrophobicContact CZ3-CE1 4.2Å; I88-F127 HydrophobicContact CB-CB 4.19Å; I88-F127 HydrophobicContact CD1-CB 4.04Å; I88-F127 HydrophobicContact CG1-CB 4.42Å; I88-F127 PolarHBondContact N-O 3Å; I121-F127 WeakPolarHBondContact O-CE2 3.37Å; S124-F127 WeakPolarHBondContact O-CD2 3.31Å; F127-W164 HydrophobicContact CE1-CB 4.24Å; F127-W164 HydrophobicContact CE1-CD2 4.14Å; F127-W164 AromaticContact CE1-CE3 3.83Å; F127-W164 HydrophobicContact CE1-CE3 3.83Å; F127-W164 HydrophobicContact CE1-CG 4.31Å; F127-W164 HydrophobicContact CZ-CE3 4.29Å; F127-I199 HydrophobicContact CB-CG2 3.92Å; F127-I199 HydrophobicContact CD1-CG2 3.96Å; F127-I199 HydrophobicContact CG-CG2 4.36Å; F127-I200 WeakPolarHBondContact CA-O 3.48Å; F127-Q201 HydrophobicContact CD1-CB 3.79Å; F127-Q201 HydrophobicContact CD1-CG 3.96Å; F127-Q201 HydrophobicContact CE1-CB 3.67Å; F127-Q201 HydrophobicContact CE1-CG 3.75Å; F127-Q201 HydrophobicContact CZ-CG 4.21Å; F127-L550 HydrophobicContact CZ-CD2 4.2Å
128Y98.7Very high96Very high3 Ų321.4 Ų21.41%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-132149-176.6-58.4-95000111.1V77 F86 K87 G126 I200 G202 V204V77-Y128 HydrophobicContact CG2-CD1 4.04Å; V77-Y128 HydrophobicContact CG2-CE1 3.93Å; F86-Y128 VanDerWaalsContact O-CA 3.27Å; F86-Y128 WeakPolarHBondContact O-CA 3.47Å; K87-Y128 HydrophobicContact CB-CD1 3.8Å; K87-Y128 HydrophobicContact CB-CE1 3.64Å; K87-Y128 HydrophobicContact CD-CE1 4.04Å; K87-Y128 HydrophobicContact CG-CD1 4.13Å; K87-Y128 HydrophobicContact CG-CE1 3.71Å; G126-Y128 VanDerWaalsContact C-CE2 3.4Å; G126-Y128 VanDerWaalsContact CA-CE2 3.44Å; G126-Y128 VanDerWaalsContact O-CD2 3.23Å; G126-Y128 WeakPolarHBondContact O-CD2 3.42Å; G126-Y128 VanDerWaalsContact O-CE2 3.27Å; G126-Y128 WeakPolarHBondContact O-CE2 3.46Å; Y128-I200 PolarHBondContact N-O 2.91Å; Y128-I200 PolarHBondContact O-N 3.16Å; Y128-G202 WeakPolarHBondContact CE2-O 3.23Å; Y128-V204 HydrophobicContact CD1-CB 3.75Å; Y128-V204 HydrophobicContact CD1-CG2 3.82Å; Y128-V204 HydrophobicContact CD2-CG2 4.05Å; Y128-V204 HydrophobicContact CE1-CB 3.88Å; Y128-V204 HydrophobicContact CE1-CG2 4.33Å; Y128-V204 HydrophobicContact CG-CB 4.13Å; Y128-V204 HydrophobicContact CG-CG2 3.67Å
129Y98.2Very high96Very high1 Ų122.1 Ų22.10%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-150.7164.4175.275.8-81.6000111Y54 I71 R74 F86 I88 V197Y54-Y129 WeakPolarHBondContact CB-OH 3.43Å; Y54-Y129 PolarHBondContact O-OH 3Å; I71-Y129 HydrophobicContact CD1-CD1 4Å; I71-Y129 HydrophobicContact CD1-CE1 3.68Å; I71-Y129 HydrophobicContact CD1-CE2 4.47Å; I71-Y129 HydrophobicContact CG2-CE1 4.29Å; R74-Y129 HydrophobicContact CB-CE1 4.48Å; R74-Y129 WeakPolarHBondContact CD-OH 3.3Å; R74-Y129 PolarHBondContact NH1-OH 3.39Å; R74-Y129 VanDerWaalsContact NH1-OH 3.12Å; F86-Y129 HydrophobicContact CB-CD1 4.11Å; F86-Y129 HydrophobicContact CB-CE1 3.73Å; F86-Y129 HydrophobicContact CD2-CE2 4.31Å; F86-Y129 PolarHBondContact N-O 2.92Å; F86-Y129 PolarHBondContact O-N 3.44Å; I88-Y129 HydrophobicContact CD1-CD1 3.99Å; I88-Y129 HydrophobicContact CD1-CE1 4.39Å; I88-Y129 HydrophobicContact CG1-CD1 3.63Å; I88-Y129 HydrophobicContact CG1-CE1 3.75Å; Y129-V197 HydrophobicContact CD2-CG1 4.46Å; Y129-V197 HydrophobicContact CD2-CG2 3.54Å; Y129-V197 HydrophobicContact CE2-CG2 4.31Å; Y129-V197 HydrophobicContact CG-CG2 4.21Å
130S97.5Very high96Very high3 Ų320.8 Ų20.82%0.02112%0.123CC..  trans-141.1140.4166.1178.60000108.8T84 T132 Y133T84-S130 WeakPolarHBondContact O-CB 3.43Å; T84-S130 PolarHBondContact O-OG 3.11Å; S130-T132 VanDerWaalsContact C-N 3.26Å; S130-T132 PolarHBondContact OG-N 3.35Å; S130-Y133 WeakPolarHBondContact CB-O 3.48Å; S130-Y133 PolarHBondContact OG-N 3.45Å; S130-Y133 VanDerWaalsContact OG-N 3.11Å
131S95Very high96Very high7 Ų720.7 Ų20.75%0.04912%0.116CC..SBendtrans-77.6-15177.6-62.70000113V2 D4 I154V2-S131 PolarHBondContact N-O 2.86Å; V2-S131 WeakPolarHBondContact O-CB 3.32Å; D4-S131 WeakPolarHBondContact CB-OG 3.39Å; S131-I154 WeakPolarHBondContact O-CD1 3.49Å
132T93.3Very high96Very high59 Ų5921.5 Ų21.536%0.36212%0.12SC..SBendtrans-124.9-20.5-173.164.40000113.5M1 N83 S130M1-T132 HydrophobicContact SD-CG2 4.35Å; N83-T132 WeakPolarHBondContact CB-OG1 3.44Å; N83-T132 VanDerWaalsContact OD1-CB 3.27Å; N83-T132 WeakPolarHBondContact OD1-CB 3.14Å; N83-T132 PolarHBondContact OD1-OG1 3.45Å; S130-T132 VanDerWaalsContact C-N 3.26Å; S130-T132 PolarHBondContact OG-N 3.35Å
133Y94.6Very high95.8Very high19 Ų1922 Ų228%0.07513%0.125CC..SBendtrans-116.6137179.2-171-107000112.4F81 N83 I85 S130 L135 L142F81-Y133 HydrophobicContact CD2-CE2 4.12Å; N83-Y133 HydrophobicContact CB-CD2 4.49Å; N83-Y133 HydrophobicContact CB-CG 4.25Å; I85-Y133 HydrophobicContact CD1-CD1 4.24Å; S130-Y133 WeakPolarHBondContact CB-O 3.48Å; S130-Y133 PolarHBondContact OG-N 3.45Å; S130-Y133 VanDerWaalsContact OG-N 3.11Å; Y133-L135 HydrophobicContact CD1-CD2 3.8Å; Y133-L135 HydrophobicContact CD1-CG 4.26Å; Y133-L135 HydrophobicContact CE1-CD2 4.1Å; Y133-L135 PolarHBondContact O-N 3.31Å; Y133-L142 HydrophobicContact CE2-CD1 4.34Å
134D95.2Very high95.7Very high1 Ų121.3 Ų21.31%0.00511%0.113CC..  trans-83.996.8177.6-166.3-21000110.7S136 H137 I154 R157D134-S136 PolarHBondContact O-N 3.43Å; D134-S136 WeakPolarHBondContact OD1-CB 3.33Å; D134-S136 PolarHBondContact OD1-N 3.09Å; D134-S136 PolarHBondContact OD1-OG 2.91Å; D134-H137 IonicContact OD1-CD2 3.77Å; D134-H137 IonicContact OD2-CD2 3.64Å; D134-H137 PolarHBondContact OD2-CD2 3.27Å; D134-I154 HydrophobicContact CB-CG2 4Å; D134-R157 VanDerWaalsContact OD2-CG 3.26Å; D134-R157 WeakPolarHBondContact OD2-CG 3.33Å; D134-R157 IonicContact OD2-NE 3.08Å; D134-R157 PolarHBondContact OD2-NE 3.24Å
135L97.6Very high95.6Very high6 Ų620.8 Ų20.83%0.03111%0.109CC..THydrogen-bonded Turntrans-72.6-7.5177.2-72.5176.8000113.7I85 Y133 I200 I226 R228I85-L135 HydrophobicContact CD1-CD1 4.48Å; I85-L135 HydrophobicContact CD1-CD2 3.92Å; I85-L135 HydrophobicContact CD1-CG 4.35Å; I85-L135 HydrophobicContact CG2-CD1 3.96Å; Y133-L135 HydrophobicContact CD1-CD2 3.8Å; Y133-L135 HydrophobicContact CD1-CG 4.26Å; Y133-L135 HydrophobicContact CE1-CD2 4.1Å; Y133-L135 PolarHBondContact O-N 3.31Å; L135-I200 HydrophobicContact CB-CD1 3.98Å; L135-I200 HydrophobicContact CB-CG1 4.23Å; L135-I200 HydrophobicContact CB-CG2 4.16Å; L135-I200 HydrophobicContact CD1-CD1 4.4Å; L135-I200 HydrophobicContact CD1-CG1 4.4Å; L135-I226 HydrophobicContact CD2-CD1 4Å; L135-R228 VanDerWaalsContact O-CD 3.3Å; L135-R228 WeakPolarHBondContact O-CD 3.45Å; L135-R228 PolarHBondContact O-NE 3.22Å
136S97.5Very high95.5Very high1 Ų121 Ų211%0.00711%0.112CC..THydrogen-bonded Turntrans-83-20.4-178.9720000113D134 A158 D159 F162D134-S136 PolarHBondContact O-N 3.43Å; D134-S136 WeakPolarHBondContact OD1-CB 3.33Å; D134-S136 PolarHBondContact OD1-N 3.09Å; D134-S136 PolarHBondContact OD1-OG 2.91Å; S136-A158 WeakPolarHBondContact OG-CA 3.33Å; S136-D159 WeakPolarHBondContact O-CB 3.46Å; S136-D159 PolarHBondContact OG-N 2.82Å; S136-F162 WeakPolarHBondContact O-CD2 3.34Å
137H97.3Very high95.2Very high11 Ų1126 Ų265%0.05115%0.145CC..SBendtrans-107.1152.4179.6-74.3-82.8000112.5D134 R141 L142 F149 R157 D159 R228D134-H137 IonicContact OD1-CD2 3.77Å; D134-H137 IonicContact OD2-CD2 3.64Å; D134-H137 PolarHBondContact OD2-CD2 3.27Å; H137-R141 WeakPolarHBondContact ND1-CD 3.46Å; H137-L142 HydrophobicContact CB-CD1 4.2Å; H137-L142 HydrophobicContact CB-CD2 3.72Å; H137-L142 HydrophobicContact CB-CG 3.59Å; H137-F149 AromaticContact NE2-CZ 4Å; H137-R157 PolarHBondContact NE2-O 3.39Å; H137-D159 PolarHBondContact NE2-N 3.02Å; H137-R228 PolarHBondContact O-NH2 3.02Å
138T98Very high94.8Very high6 Ų634.4 Ų34.44%0.03718%0.181CC..  trans-74.5157.2165.464.60000110.7Q140 R141 L142 E254 E256 V269T138-Q140 PolarHBondContact O-N 3.04Å; T138-R141 PolarHBondContact O-N 2.85Å; T138-R141 WeakPolarHBondContact OG1-CB 3.29Å; T138-R141 PolarHBondContact OG1-N 2.93Å; T138-R141 VanDerWaalsContact OG1-N 3.08Å; T138-L142 WeakPolarHBondContact O-CG 3.49Å; T138-L142 PolarHBondContact O-N 3.22Å; T138-E254 HydrophobicContact CG2-CG 4.39Å; T138-E254 WeakPolarHBondContact CG2-OE1 3.49Å; T138-E254 WeakPolarHBondContact CG2-OE2 3.46Å; T138-E256 WeakPolarHBondContact CA-OE1 3.15Å; T138-E256 WeakPolarHBondContact CA-OE2 3.49Å; T138-E256 WeakPolarHBondContact CB-OE1 3.43Å; T138-V269 HydrophobicContact CG2-CG1 4.32Å; T138-V269 HydrophobicContact CG2-CG2 3.67Å
139L97.4Very high94.4Very high16 Ų1637.2 Ų37.28%0.08419%0.194CC..Hα-helixtrans-58.3-37.3173.4-178.461.9000111.2F81 S143 E256 L258 R265 L408 I410F81-L139 HydrophobicContact CE2-CD1 4Å; F81-L139 HydrophobicContact CE2-CD2 3.9Å; F81-L139 HydrophobicContact CE2-CG 4.44Å; F81-L139 HydrophobicContact CZ-CD2 3.78Å; L139-S143 VanDerWaalsContact O-CB 3.29Å; L139-S143 WeakPolarHBondContact O-CB 3.44Å; L139-S143 PolarHBondContact O-N 3.03Å; L139-E256 WeakPolarHBondContact CB-OE1 3.16Å; L139-E256 PolarHBondContact N-OE1 3.35Å; L139-L258 HydrophobicContact CB-CD2 3.94Å; L139-L258 HydrophobicContact CD2-CD2 4.18Å; L139-R265 HydrophobicContact CD2-CB 4.31Å; L139-L408 HydrophobicContact CB-CD2 4.04Å; L139-L408 HydrophobicContact CD2-CD2 3.91Å; L139-L408 HydrophobicContact CG-CD2 3.65Å; L139-I410 HydrophobicContact CD1-CD1 4.48Å; L139-I410 HydrophobicContact CD2-CD1 4.29Å; L139-I410 HydrophobicContact CG-CD1 4.26Å
140Q96.9Very high93.9Very high23 Ų2341.4 Ų41.411%0.10721%0.212CC..Hα-helixtrans-63.8-49.8176.5-178161.5-73.900111.1T138 L142 S143 D144 L408 Q422T138-Q140 PolarHBondContact O-N 3.04Å; Q140-L142 VanDerWaalsContact C-N 3.31Å; Q140-L142 PolarHBondContact O-N 2.85Å; Q140-S143 WeakPolarHBondContact CA-OG 3.35Å; Q140-S143 WeakPolarHBondContact O-CA 3.41Å; Q140-S143 WeakPolarHBondContact O-CB 3.1Å; Q140-S143 PolarHBondContact O-N 3.16Å; Q140-S143 PolarHBondContact O-OG 2.66Å; Q140-D144 PolarHBondContact O-N 2.88Å; Q140-L408 HydrophobicContact CB-CB 4.32Å; Q140-L408 HydrophobicContact CB-CD1 4.28Å; Q140-L408 HydrophobicContact CB-CD2 3.93Å; Q140-L408 HydrophobicContact CB-CG 4.41Å; Q140-L408 HydrophobicContact CG-CD1 4.18Å; Q140-Q422 PolarHBondContact NE2-O 2.89Å
141R95.5Very high93.5Very high43 Ų4345.4 Ų45.416%0.16225%0.245CC..Hα-helixtrans-61-42.1179.5-161.4175.5-55.6119.96.7111.1H137 T138 S143 D144 T145 D159 R161 E254H137-R141 WeakPolarHBondContact ND1-CD 3.46Å; T138-R141 PolarHBondContact O-N 2.85Å; T138-R141 WeakPolarHBondContact OG1-CB 3.29Å; T138-R141 PolarHBondContact OG1-N 2.93Å; T138-R141 VanDerWaalsContact OG1-N 3.08Å; R141-S143 VanDerWaalsContact C-N 3.35Å; R141-S143 PolarHBondContact O-N 2.94Å; R141-D144 PolarHBondContact O-N 3.27Å; R141-T145 VanDerWaalsContact O-CG2 3.24Å; R141-T145 WeakPolarHBondContact O-CG2 3.48Å; R141-T145 PolarHBondContact O-N 2.88Å; R141-D159 IonicContact CZ-OD2 3.73Å; R141-D159 IonicContact NH1-OD2 3.3Å; R141-D159 PolarHBondContact NH1-OD2 3.23Å; R141-D159 VanDerWaalsContact NH1-OD2 3.08Å; R141-R161 VanDerWaalsContact NH2-NH2 3.15Å; R141-E254 IonicContact CZ-OE2 3.66Å; R141-E254 IonicContact NH1-OE2 2.77Å; R141-E254 IonicContact NH2-OE2 3.87Å; R141-E254 PolarHBondContact NH2-OE2 3.02Å
142L93.8Very high93.3Very high21 Ų2146.7 Ų46.711%0.1125%0.254CS..Hα-helixtrans-61.4-42.3171.8-71174.7000111.6Y133 H137 T138 Q140 D144 T145 K150Y133-L142 HydrophobicContact CE2-CD1 4.34Å; H137-L142 HydrophobicContact CB-CD1 4.2Å; H137-L142 HydrophobicContact CB-CD2 3.72Å; H137-L142 HydrophobicContact CB-CG 3.59Å; T138-L142 WeakPolarHBondContact O-CG 3.49Å; T138-L142 PolarHBondContact O-N 3.22Å; Q140-L142 VanDerWaalsContact C-N 3.31Å; Q140-L142 PolarHBondContact O-N 2.85Å; L142-D144 VanDerWaalsContact C-N 3.28Å; L142-D144 PolarHBondContact O-N 2.94Å; L142-T145 PolarHBondContact O-N 3.31Å; L142-T145 PolarHBondContact O-OG1 2.81Å; L142-K150 WeakPolarHBondContact O-CE 3.29Å; L142-K150 PolarHBondContact O-NZ 3.02Å
143S92.9Very high93.3Very high22 Ų2244.8 Ų44.815%0.15424%0.243CC..Hα-helixtrans-62.6-36.2-178.577.30000112.5L139 Q140 R141 T145 K150L139-S143 VanDerWaalsContact O-CB 3.29Å; L139-S143 WeakPolarHBondContact O-CB 3.44Å; L139-S143 PolarHBondContact O-N 3.03Å; Q140-S143 WeakPolarHBondContact CA-OG 3.35Å; Q140-S143 WeakPolarHBondContact O-CA 3.41Å; Q140-S143 WeakPolarHBondContact O-CB 3.1Å; Q140-S143 PolarHBondContact O-N 3.16Å; Q140-S143 PolarHBondContact O-OG 2.66Å; R141-S143 VanDerWaalsContact C-N 3.35Å; R141-S143 PolarHBondContact O-N 2.94Å; S143-T145 VanDerWaalsContact C-N 3.35Å; S143-T145 PolarHBondContact O-N 3.3Å; S143-K150 PolarHBondContact O-NZ 2.82Å
144D91.8Very high93.2Very high83 Ų8344.6 Ų44.644%0.44424%0.243SC..Hα-helixtrans-83.3-5.5-177.5-68.6-31.8000114.2Q140 R141 L142 R421Q140-D144 PolarHBondContact O-N 2.88Å; R141-D144 PolarHBondContact O-N 3.27Å; L142-D144 VanDerWaalsContact C-N 3.28Å; L142-D144 PolarHBondContact O-N 2.94Å; D144-R421 IonicContact OD1-CZ 3.87Å; D144-R421 VanDerWaalsContact OD1-CZ 3.25Å; D144-R421 IonicContact OD1-NE 3.25Å; D144-R421 PolarHBondContact OD1-NE 3.08Å; D144-R421 IonicContact OD1-NH2 2.85Å; D144-R421 PolarHBondContact OD1-NH2 3.29Å; D144-R421 IonicContact OD2-NE 3.38Å
145T90.1Very high93.2Very high28 Ų2845.4 Ų45.417%0.17225%0.246CC..SBendtrans-81.5149.417658.80000112.8R141 L142 S143 F149 K150R141-T145 VanDerWaalsContact O-CG2 3.24Å; R141-T145 WeakPolarHBondContact O-CG2 3.48Å; R141-T145 PolarHBondContact O-N 2.88Å; L142-T145 PolarHBondContact O-N 3.31Å; L142-T145 PolarHBondContact O-OG1 2.81Å; S143-T145 VanDerWaalsContact C-N 3.35Å; S143-T145 PolarHBondContact O-N 3.3Å; T145-F149 HydrophobicContact CG2-CD1 3.42Å; T145-F149 VanDerWaalsContact CG2-CD1 3.42Å; T145-F149 HydrophobicContact CG2-CE1 3.52Å; T145-F149 HydrophobicContact CG2-CG 4.13Å; T145-F149 HydrophobicContact CG2-CZ 4.31Å; T145-K150 VanDerWaalsContact O-CE 3.29Å; T145-K150 WeakPolarHBondContact O-CE 3.45Å; T145-K150 PolarHBondContact O-NZ 3.43Å; T145-K150 WeakPolarHBondContact OG1-CE 3.38Å
146D90.8Very high93Very high85 Ų8549.8 Ų49.846%0.45527%0.267SS..  trans-69.8160.218073.183.6000112.5K148 F149 K150D146-K148 VanDerWaalsContact C-N 3.26Å; D146-K148 PolarHBondContact O-N 2.94Å; D146-K148 VanDerWaalsContact OD1-CA 3.29Å; D146-K148 WeakPolarHBondContact OD1-CA 2.79Å; D146-K148 WeakPolarHBondContact OD1-CB 3.46Å; D146-K148 PolarHBondContact OD1-N 3.4Å; D146-F149 PolarHBondContact O-N 3.49Å; D146-F149 PolarHBondContact OD1-N 2.99Å; D146-K150 PolarHBondContact O-N 2.79Å; D146-K150 VanDerWaalsContact O-N 3.09Å
147P88.4Confident92.8Very high107 Ų10751.5 Ų51.570%0.69527%0.273SS*.Hα-helixtrans-60.2-28.8-179.1-26.135.6000114.9K150 A151P147-K150 PolarHBondContact O-N 2.87Å; P147-A151 WeakPolarHBondContact O-CB 3.29Å; P147-A151 PolarHBondContact O-N 3.25Å
148K90.8Very high92.8Very high177 Ų17751.4 Ų51.477%0.7727%0.274SS*.Hα-helixtrans-71-42.4178-57.2-179.6177.3178.80110.4D146 K150 A151 S152D146-K148 VanDerWaalsContact C-N 3.26Å; D146-K148 PolarHBondContact O-N 2.94Å; D146-K148 VanDerWaalsContact OD1-CA 3.29Å; D146-K148 WeakPolarHBondContact OD1-CA 2.79Å; D146-K148 WeakPolarHBondContact OD1-CB 3.46Å; D146-K148 PolarHBondContact OD1-N 3.4Å; K148-K150 VanDerWaalsContact C-N 3.29Å; K148-K150 PolarHBondContact O-N 3.27Å; K148-A151 PolarHBondContact O-N 3.18Å; K148-A151 VanDerWaalsContact O-N 3.1Å; K148-S152 PolarHBondContact O-N 3.23Å; K148-S152 VanDerWaalsContact O-N 3.09Å
149F90.9Very high92.7Very high62 Ų6251.8 Ų51.827%0.27228%0.276SS..Hα-helixtrans-61.4-37.5172.9-174.4-89.8000112.2H137 T145 D146 A151 S152 R157H137-F149 AromaticContact NE2-CZ 4Å; T145-F149 HydrophobicContact CG2-CD1 3.42Å; T145-F149 VanDerWaalsContact CG2-CD1 3.42Å; T145-F149 HydrophobicContact CG2-CE1 3.52Å; T145-F149 HydrophobicContact CG2-CG 4.13Å; T145-F149 HydrophobicContact CG2-CZ 4.31Å; D146-F149 PolarHBondContact O-N 3.49Å; D146-F149 PolarHBondContact OD1-N 2.99Å; F149-A151 VanDerWaalsContact C-N 3.27Å; F149-A151 PolarHBondContact O-N 2.79Å; F149-S152 PolarHBondContact O-N 3.06Å; F149-S152 PolarHBondContact O-OG 3.42Å; F149-R157 HydrophobicContact CD1-CB 4.31Å; F149-R157 HydrophobicContact CD2-CB 4.38Å; F149-R157 HydrophobicContact CE1-CB 3.76Å; F149-R157 HydrophobicContact CE1-CG 4.32Å; F149-R157 HydrophobicContact CE2-CB 3.84Å; F149-R157 HydrophobicContact CZ-CB 3.52Å; F149-R157 HydrophobicContact CZ-CG 4.42Å; F149-R157 WeakPolarHBondContact CZ-O 3.47Å
150K86.5Confident92.7Very high90 Ų9054.9 Ų54.939%0.39130%0.295SS..Hα-helixtrans-68-27.6174.3-71.6171176.9150.30113L142 S143 T145 D146 P147 K148 R157L142-K150 WeakPolarHBondContact O-CE 3.29Å; L142-K150 PolarHBondContact O-NZ 3.02Å; S143-K150 PolarHBondContact O-NZ 2.82Å; T145-K150 VanDerWaalsContact O-CE 3.29Å; T145-K150 WeakPolarHBondContact O-CE 3.45Å; T145-K150 PolarHBondContact O-NZ 3.43Å; T145-K150 WeakPolarHBondContact OG1-CE 3.38Å; D146-K150 PolarHBondContact O-N 2.79Å; D146-K150 VanDerWaalsContact O-N 3.09Å; P147-K150 PolarHBondContact O-N 2.87Å; K148-K150 VanDerWaalsContact C-N 3.29Å; K148-K150 PolarHBondContact O-N 3.27Å; K150-R157 PolarHBondContact O-NH1 3.46Å
151A88.5Confident92.7Very high86 Ų8654.6 Ų54.671%0.71129%0.293SS*.Hα-helixtrans-84.1-19.6179.200000114P147 K148 F149P147-A151 WeakPolarHBondContact O-CB 3.29Å; P147-A151 PolarHBondContact O-N 3.25Å; K148-A151 PolarHBondContact O-N 3.18Å; K148-A151 VanDerWaalsContact O-N 3.1Å; F149-A151 VanDerWaalsContact C-N 3.27Å; F149-A151 PolarHBondContact O-N 2.79Å
152S91.6Very high92.8Very high35 Ų3552.8 Ų52.825%0.24529%0.286CS..SBendtrans-67.7162.717566.40000111.7K148 F149K148-S152 PolarHBondContact O-N 3.23Å; K148-S152 VanDerWaalsContact O-N 3.09Å; F149-S152 PolarHBondContact O-N 3.06Å; F149-S152 PolarHBondContact O-OG 3.42Å
153S92.4Very high93.1Very high19 Ų1952 Ų5213%0.13328%0.282CS..  trans-63155.4179.570.20000111.8Y155 E156 R157 F193S153-Y155 PolarHBondContact O-N 2.8Å; S153-E156 VanDerWaalsContact CB-OE2 3.27Å; S153-E156 WeakPolarHBondContact CB-OE2 3.49Å; S153-E156 PolarHBondContact N-OE2 2.72Å; S153-E156 PolarHBondContact O-N 3.04Å; S153-E156 WeakPolarHBondContact OG-CB 3.24Å; S153-E156 VanDerWaalsContact OG-CD 3.31Å; S153-E156 WeakPolarHBondContact OG-CG 3.44Å; S153-E156 PolarHBondContact OG-N 3Å; S153-E156 PolarHBondContact OG-OE2 2.87Å; S153-R157 WeakPolarHBondContact O-CG 3.48Å; S153-R157 PolarHBondContact O-N 3.06Å; S153-R157 VanDerWaalsContact O-N 3.15Å; S153-F193 WeakPolarHBondContact OG-CB 3.27Å
154I93.5Very high93.3Very high14 Ų1451 Ų517%0.07228%0.275CS..Hα-helixtrans-59.3-36.4176.7-56-179.9000110.1S131 D134 A158 P198S131-I154 WeakPolarHBondContact O-CD1 3.49Å; D134-I154 HydrophobicContact CB-CG2 4Å; I154-A158 VanDerWaalsContact O-CB 3.31Å; I154-A158 WeakPolarHBondContact O-CB 3.45Å; I154-A158 PolarHBondContact O-N 3.48Å; I154-P198 HydrophobicContact CG2-CG 3.96Å
155Y94.4Very high93.6Very high19 Ų1947 Ų478%0.07525%0.254CS..Hα-helixtrans-62.9-45.8176.1166.5-103.4000113.8S153 R157 K166 L169 N170 E173 F193 C196S153-Y155 PolarHBondContact O-N 2.8Å; Y155-R157 VanDerWaalsContact C-N 3.34Å; Y155-K166 HydrophobicContact CE2-CD 4.25Å; Y155-K166 PolarHBondContact O-NZ 3.22Å; Y155-K166 VanDerWaalsContact O-NZ 3.15Å; Y155-L169 HydrophobicContact CD2-CB 4.05Å; Y155-L169 HydrophobicContact CD2-CD1 3.78Å; Y155-L169 HydrophobicContact CE2-CB 3.62Å; Y155-L169 HydrophobicContact CE2-CD1 4.16Å; Y155-N170 PolarHBondContact OH-OD1 3.09Å; Y155-E173 HydrophobicContact CE1-CB 4.33Å; Y155-E173 HydrophobicContact CE1-CG 3.93Å; Y155-F193 AromaticContact CD1-CD1 3.5Å; Y155-F193 HydrophobicContact CD1-CD1 3.5Å; Y155-F193 AromaticContact CD1-CE1 3.82Å; Y155-F193 HydrophobicContact CD1-CE1 3.82Å; Y155-F193 HydrophobicContact CD1-CG 4.48Å; Y155-F193 AromaticContact CE1-CD1 3.98Å; Y155-F193 HydrophobicContact CE1-CD1 3.98Å; Y155-F193 AromaticContact CE1-CE1 3.87Å; Y155-F193 HydrophobicContact CE1-CE1 3.87Å; Y155-C196 HydrophobicContact CD1-CB 4.33Å; Y155-C196 HydrophobicContact CD2-CB 3.88Å; Y155-C196 HydrophobicContact CG-CB 3.66Å
156E93.9Very high94Very high97 Ų9747.5 Ų47.545%0.45325%0.254SS..Hα-helixtrans-65.9-40.2-178.2-74.5166.2117.100111.3S153 F193S153-E156 VanDerWaalsContact CB-OE2 3.27Å; S153-E156 WeakPolarHBondContact CB-OE2 3.49Å; S153-E156 PolarHBondContact N-OE2 2.72Å; S153-E156 PolarHBondContact O-N 3.04Å; S153-E156 WeakPolarHBondContact OG-CB 3.24Å; S153-E156 VanDerWaalsContact OG-CD 3.31Å; S153-E156 WeakPolarHBondContact OG-CG 3.44Å; S153-E156 PolarHBondContact OG-N 3Å; S153-E156 PolarHBondContact OG-OE2 2.87Å; E156-F193 HydrophobicContact CG-CD1 4.39Å; E156-F193 HydrophobicContact CG-CD2 4.44Å; E156-F193 HydrophobicContact CG-CE1 4.14Å; E156-F193 HydrophobicContact CG-CE2 4.19Å; E156-F193 HydrophobicContact CG-CZ 4.01Å; E156-F193 WeakPolarHBondContact OE1-CE2 3.45Å
157R94.4Very high94.2Very high38 Ų3844.9 Ų44.914%0.14324%0.242CC..Hα-helixtrans-89.3-11.8-17481-171.9-176.3-174.8-5.2114.4D134 H137 F149 K150 S153 Y155 D159D134-R157 VanDerWaalsContact OD2-CG 3.26Å; D134-R157 WeakPolarHBondContact OD2-CG 3.33Å; D134-R157 IonicContact OD2-NE 3.08Å; D134-R157 PolarHBondContact OD2-NE 3.24Å; H137-R157 PolarHBondContact NE2-O 3.39Å; F149-R157 HydrophobicContact CD1-CB 4.31Å; F149-R157 HydrophobicContact CD2-CB 4.38Å; F149-R157 HydrophobicContact CE1-CB 3.76Å; F149-R157 HydrophobicContact CE1-CG 4.32Å; F149-R157 HydrophobicContact CE2-CB 3.84Å; F149-R157 HydrophobicContact CZ-CB 3.52Å; F149-R157 HydrophobicContact CZ-CG 4.42Å; F149-R157 WeakPolarHBondContact CZ-O 3.47Å; K150-R157 PolarHBondContact O-NH1 3.46Å; S153-R157 WeakPolarHBondContact O-CG 3.48Å; S153-R157 PolarHBondContact O-N 3.06Å; S153-R157 VanDerWaalsContact O-N 3.15Å; Y155-R157 VanDerWaalsContact C-N 3.34Å; R157-D159 PolarHBondContact O-N 3.3Å
158A96.1Very high94.7Very high8 Ų840 Ų407%0.06621%0.21CC..  trans-55.4133.7-17500000112.5S136 I154 T160 P198S136-A158 WeakPolarHBondContact OG-CA 3.33Å; I154-A158 VanDerWaalsContact O-CB 3.31Å; I154-A158 WeakPolarHBondContact O-CB 3.45Å; I154-A158 PolarHBondContact O-N 3.48Å; A158-T160 PolarHBondContact O-N 2.99Å; A158-P198 HydrophobicContact CB-CB 3.92Å; A158-P198 HydrophobicContact CB-CG 3.7Å
159D96.9Very high95Very high15 Ų1531.6 Ų31.68%0.0817%0.173CC..  trans-64.9114.9174.2-164.5-38.4000109.6S136 H137 R141 R157 R161 F162 T163S136-D159 WeakPolarHBondContact O-CB 3.46Å; S136-D159 PolarHBondContact OG-N 2.82Å; H137-D159 PolarHBondContact NE2-N 3.02Å; R141-D159 IonicContact CZ-OD2 3.73Å; R141-D159 IonicContact NH1-OD2 3.3Å; R141-D159 PolarHBondContact NH1-OD2 3.23Å; R141-D159 VanDerWaalsContact NH1-OD2 3.08Å; R157-D159 PolarHBondContact O-N 3.3Å; D159-R161 PolarHBondContact O-N 3Å; D159-R161 VanDerWaalsContact OD1-CB 3.26Å; D159-R161 WeakPolarHBondContact OD1-CB 3.35Å; D159-R161 WeakPolarHBondContact OD1-CG 3.35Å; D159-R161 IonicContact OD1-CZ 3.88Å; D159-R161 PolarHBondContact OD1-N 2.91Å; D159-R161 IonicContact OD1-NE 3.94Å; D159-R161 PolarHBondContact OD1-NE 3.06Å; D159-R161 IonicContact OD1-NH2 3.56Å; D159-R161 IonicContact OD2-CZ 2.61Å; D159-R161 IonicContact OD2-NE 3.28Å; D159-R161 PolarHBondContact OD2-NE 3.08Å; D159-R161 IonicContact OD2-NH2 2.66Å; D159-R161 PolarHBondContact OD2-NH2 3.32Å; D159-F162 HydrophobicContact CB-CD2 4.23Å; D159-F162 PolarHBondContact O-N 2.87Å; D159-F162 VanDerWaalsContact O-N 3.12Å; D159-T163 PolarHBondContact O-N 3.38Å; D159-T163 PolarHBondContact O-OG1 3.46Å
160T96.7Very high95.3Very high80 Ų8031.8 Ų31.849%0.49118%0.178SC..THydrogen-bonded Turntrans-63.5-26.1-176.353.50000112.1A158 F162 V231A158-T160 PolarHBondContact O-N 2.99Å; T160-F162 PolarHBondContact O-N 3.26Å; T160-V231 WeakPolarHBondContact O-CG2 3.49Å
161R97.2Very high95.7Very high18 Ų1830.6 Ų30.67%0.06817%0.173CC..THydrogen-bonded Turntrans-63.7-28178.2-58.4176.2-65.7161.90.9111.9R141 D159 S230 V231 Y336 Y338R141-R161 VanDerWaalsContact NH2-NH2 3.15Å; D159-R161 PolarHBondContact O-N 3Å; D159-R161 VanDerWaalsContact OD1-CB 3.26Å; D159-R161 WeakPolarHBondContact OD1-CB 3.35Å; D159-R161 WeakPolarHBondContact OD1-CG 3.35Å; D159-R161 IonicContact OD1-CZ 3.88Å; D159-R161 PolarHBondContact OD1-N 2.91Å; D159-R161 IonicContact OD1-NE 3.94Å; D159-R161 PolarHBondContact OD1-NE 3.06Å; D159-R161 IonicContact OD1-NH2 3.56Å; D159-R161 IonicContact OD2-CZ 2.61Å; D159-R161 IonicContact OD2-NE 3.28Å; D159-R161 PolarHBondContact OD2-NE 3.08Å; D159-R161 IonicContact OD2-NH2 2.66Å; D159-R161 PolarHBondContact OD2-NH2 3.32Å; R161-S230 CarbonylContact O-C 3.44Å; R161-S230 WeakPolarHBondContact O-CA 3.1Å; R161-V231 PolarHBondContact O-N 2.58Å; R161-Y336 VanDerWaalsContact CD-CE1 3.44Å; R161-Y336 VanDerWaalsContact NH1-CB 3.27Å; R161-Y338 PolarHBondContact NH1-OH 3.46Å
162F98.4Very high96.1Very high4 Ų426.5 Ų26.52%0.01814%0.139CC..THydrogen-bonded Turntrans-117.42.2-173.1-57.3-63000113.7S136 D159 T160 W164 I200 R228 E254S136-F162 WeakPolarHBondContact O-CD2 3.34Å; D159-F162 HydrophobicContact CB-CD2 4.23Å; D159-F162 PolarHBondContact O-N 2.87Å; D159-F162 VanDerWaalsContact O-N 3.12Å; T160-F162 PolarHBondContact O-N 3.26Å; F162-W164 PolarHBondContact O-N 2.93Å; F162-I200 HydrophobicContact CB-CG2 4.42Å; F162-I200 WeakPolarHBondContact O-CA 3.19Å; F162-I200 VanDerWaalsContact O-CG2 3.28Å; F162-I200 WeakPolarHBondContact O-CG2 3.5Å; F162-R228 HydrophobicContact CB-CB 4.09Å; F162-R228 HydrophobicContact CD1-CB 3.47Å; F162-R228 VanDerWaalsContact CD1-CB 3.47Å; F162-R228 HydrophobicContact CE1-CB 3.99Å; F162-R228 WeakPolarHBondContact CE1-O 3.44Å; F162-R228 HydrophobicContact CG-CB 3.78Å; F162-E254 HydrophobicContact CE1-CB 3.95Å; F162-E254 HydrophobicContact CE2-CB 4.43Å; F162-E254 HydrophobicContact CZ-CB 3.63Å; F162-E254 HydrophobicContact CZ-CG 4.42Å
163T98.2Very high96.2Very high4 Ų426.3 Ų26.33%0.02514%0.135CC..  trans-96.795.6-177.2-55.80000111.4D159 N165 K166 P198D159-T163 PolarHBondContact O-N 3.38Å; D159-T163 PolarHBondContact O-OG1 3.46Å; T163-N165 VanDerWaalsContact C-N 3.32Å; T163-N165 PolarHBondContact O-N 3.35Å; T163-K166 HydrophobicContact CG2-CB 3.85Å; T163-K166 HydrophobicContact CG2-CD 4.31Å; T163-K166 WeakPolarHBondContact O-CB 3.47Å; T163-K166 PolarHBondContact O-N 2.77Å; T163-P198 HydrophobicContact CG2-CB 3.87Å
164W98.1Very high96.2Very high2 Ų228.5 Ų28.51%0.00815%0.15CC..THydrogen-bonded Turntrans-69.9-24.1-172.2-85.564.9000114.6F127 F162 I199 Q201 R229 V231 T234 L550 L551F127-W164 HydrophobicContact CE1-CB 4.24Å; F127-W164 HydrophobicContact CE1-CD2 4.14Å; F127-W164 AromaticContact CE1-CE3 3.83Å; F127-W164 HydrophobicContact CE1-CE3 3.83Å; F127-W164 HydrophobicContact CE1-CG 4.31Å; F127-W164 HydrophobicContact CZ-CE3 4.29Å; F162-W164 PolarHBondContact O-N 2.93Å; W164-I199 PolarHBondContact N-O 3.14Å; W164-Q201 VanDerWaalsContact CD1-N 3.32Å; W164-Q201 HydrophobicContact CD2-CB 3.49Å; W164-Q201 VanDerWaalsContact CD2-CB 3.49Å; W164-Q201 HydrophobicContact CD2-CG 4.45Å; W164-Q201 HydrophobicContact CE3-CB 4.14Å; W164-Q201 HydrophobicContact CG-CB 3.72Å; W164-Q201 HydrophobicContact CZ2-CB 4Å; W164-R229 VanDerWaalsContact CH2-NH1 3.28Å; W164-R229 HydrophobicContact CZ2-CB 4.32Å; W164-R229 HydrophobicContact CZ2-CG 4.04Å; W164-R229 PolarHBondContact NE1-O 2.93Å; W164-V231 HydrophobicContact CD2-CG1 4.34Å; W164-V231 HydrophobicContact CG-CG1 4.04Å; W164-T234 HydrophobicContact CH2-CG2 3.56Å; W164-T234 HydrophobicContact CZ2-CG2 4.24Å; W164-T234 HydrophobicContact CZ3-CG2 4.35Å; W164-L550 HydrophobicContact CE3-CD2 4.39Å; W164-L551 HydrophobicContact CB-CD2 4.46Å; W164-L551 HydrophobicContact CD2-CD2 4.02Å; W164-L551 HydrophobicContact CE3-CD2 3.77Å; W164-L551 HydrophobicContact CE3-CG 4.4Å; W164-L551 HydrophobicContact CG-CD2 4.38Å; W164-L551 HydrophobicContact CZ3-CD1 4.36Å; W164-L551 HydrophobicContact CZ3-CD2 4.22Å; W164-L551 HydrophobicContact CZ3-CG 4.42Å; W164-L551 WeakPolarHBondContact O-CD2 3.43Å
165N98Very high96.2Very high0 Ų029.4 Ų29.40%015%0.154CC..THydrogen-bonded Turntrans-102.215.7176.869.5-33.8000113W57 T163 S167 L168 L169 V197 I199W57-N165 HydrophobicContact CE3-CB 3.72Å; W57-N165 HydrophobicContact CZ3-CB 4.27Å; W57-N165 PolarHBondContact O-ND2 3.49Å; T163-N165 VanDerWaalsContact C-N 3.32Å; T163-N165 PolarHBondContact O-N 3.35Å; N165-S167 PolarHBondContact O-N 3.08Å; N165-L168 HydrophobicContact CB-CD1 4.27Å; N165-L168 WeakPolarHBondContact O-CB 3.46Å; N165-L168 PolarHBondContact O-N 3.39Å; N165-L168 VanDerWaalsContact O-N 3.12Å; N165-L169 WeakPolarHBondContact ND2-CD1 3.45Å; N165-L169 WeakPolarHBondContact ND2-CG 3.18Å; N165-L169 WeakPolarHBondContact O-CG 3.38Å; N165-L169 PolarHBondContact O-N 3.17Å; N165-V197 PolarHBondContact ND2-O 3.03Å; N165-I199 HydrophobicContact CB-CB 4.4Å; N165-I199 HydrophobicContact CB-CD1 4.21Å; N165-I199 WeakPolarHBondContact ND2-CD1 3.42Å; N165-I199 PolarHBondContact OD1-N 3.41Å
166K97.8Very high96Very high38 Ų3828.5 Ų28.517%0.16515%0.151CC..Hα-helixtrans-58.1-47-174-17365.2176.8-176.20112.4Y155 T163 L168 L169 N170Y155-K166 HydrophobicContact CE2-CD 4.25Å; Y155-K166 PolarHBondContact O-NZ 3.22Å; Y155-K166 VanDerWaalsContact O-NZ 3.15Å; T163-K166 HydrophobicContact CG2-CB 3.85Å; T163-K166 HydrophobicContact CG2-CD 4.31Å; T163-K166 WeakPolarHBondContact O-CB 3.47Å; T163-K166 PolarHBondContact O-N 2.77Å; K166-L168 VanDerWaalsContact C-N 3.29Å; K166-L168 PolarHBondContact O-N 2.86Å; K166-L169 PolarHBondContact O-N 2.92Å; K166-N170 WeakPolarHBondContact CE-OD1 3.08Å; K166-N170 PolarHBondContact O-N 3.02Å; K166-N170 PolarHBondContact O-OD1 3.06Å
167S96.1Very high95.8Very high29 Ų2928.2 Ų28.220%0.20315%0.153CC..Hα-helixtrans-60-41.6178.2-1730000111.7N165 N170 E171 L551N165-S167 PolarHBondContact O-N 3.08Å; S167-N170 PolarHBondContact O-N 2.92Å; S167-E171 WeakPolarHBondContact O-CG 3.39Å; S167-E171 PolarHBondContact O-N 2.89Å; S167-L551 WeakPolarHBondContact CB-O 3.4Å
168L98.3Very high95.3Very high5 Ų529.9 Ų29.93%0.02617%0.17CC..Hα-helixtrans-66.6-42.1178.9-57.3173.4000111.7W57 G58 L59 V60 I69 N165 K166 N170 E171 W172 L550W57-L168 HydrophobicContact CB-CD1 4.25Å; W57-L168 HydrophobicContact CE3-CD1 4.18Å; W57-L168 WeakPolarHBondContact O-CB 3.33Å; G58-L168 WeakPolarHBondContact CA-O 3.05Å; L59-L168 PolarHBondContact N-O 2.92Å; L59-L168 WeakPolarHBondContact O-CA 3.44Å; L59-L168 VanDerWaalsContact O-CD2 3.22Å; L59-L168 WeakPolarHBondContact O-CD2 3.49Å; V60-L168 HydrophobicContact CB-CD2 3.66Å; V60-L168 HydrophobicContact CG2-CD2 4.24Å; I69-L168 HydrophobicContact CD1-CD1 4.2Å; I69-L168 HydrophobicContact CD1-CD2 4.41Å; N165-L168 HydrophobicContact CB-CD1 4.27Å; N165-L168 WeakPolarHBondContact O-CB 3.46Å; N165-L168 PolarHBondContact O-N 3.39Å; N165-L168 VanDerWaalsContact O-N 3.12Å; K166-L168 VanDerWaalsContact C-N 3.29Å; K166-L168 PolarHBondContact O-N 2.86Å; L168-N170 VanDerWaalsContact C-N 3.34Å; L168-E171 PolarHBondContact O-N 2.7Å; L168-W172 WeakPolarHBondContact O-CB 3.27Å; L168-W172 PolarHBondContact O-N 3.22Å; L168-L550 HydrophobicContact CD1-CD1 3.85Å
169L97.6Very high94.3Very high0 Ų030.2 Ų30.20%017%0.171CC..Hα-helixtrans-66.4-35.8176.7-73179.5000112W57 Y155 N165 K166 W172 E173 C196 V197W57-L169 WeakPolarHBondContact O-CD2 2.92Å; W57-L169 WeakPolarHBondContact O-CG 3.37Å; Y155-L169 HydrophobicContact CD2-CB 4.05Å; Y155-L169 HydrophobicContact CD2-CD1 3.78Å; Y155-L169 HydrophobicContact CE2-CB 3.62Å; Y155-L169 HydrophobicContact CE2-CD1 4.16Å; N165-L169 WeakPolarHBondContact ND2-CD1 3.45Å; N165-L169 WeakPolarHBondContact ND2-CG 3.18Å; N165-L169 WeakPolarHBondContact O-CG 3.38Å; N165-L169 PolarHBondContact O-N 3.17Å; K166-L169 PolarHBondContact O-N 2.92Å; L169-W172 PolarHBondContact O-N 3.3Å; L169-E173 VanDerWaalsContact O-CB 3.25Å; L169-E173 WeakPolarHBondContact O-CB 3.41Å; L169-E173 PolarHBondContact O-N 2.96Å; L169-C196 HydrophobicContact CD2-CB 4.22Å; L169-V197 WeakPolarHBondContact CD1-O 3.39Å
170N96.6Very high92.3Very high67 Ų6733.7 Ų33.736%0.35820%0.197SC..Hα-helixtrans-63.5-43176.4-68.1-5.2000111.2Y155 K166 S167 L168 W172 S174Y155-N170 PolarHBondContact OH-OD1 3.09Å; K166-N170 WeakPolarHBondContact CE-OD1 3.08Å; K166-N170 PolarHBondContact O-N 3.02Å; K166-N170 PolarHBondContact O-OD1 3.06Å; S167-N170 PolarHBondContact O-N 2.92Å; L168-N170 VanDerWaalsContact C-N 3.34Å; N170-W172 VanDerWaalsContact C-N 3.34Å; N170-S174 WeakPolarHBondContact O-CB 3.32Å; N170-S174 PolarHBondContact O-N 2.61Å
171E95.6Very high90.2Very high64 Ų6434.7 Ų34.730%0.29921%0.207SC..Hα-helixtrans-64.5-40.5175-63.9-67.6164.500111.2L59 S167 L168 M175 K555L59-E171 HydrophobicContact CB-CB 3.97Å; S167-E171 WeakPolarHBondContact O-CG 3.39Å; S167-E171 PolarHBondContact O-N 2.89Å; L168-E171 PolarHBondContact O-N 2.7Å; E171-M175 WeakPolarHBondContact O-CB 3.43Å; E171-M175 PolarHBondContact O-N 3.42Å; E171-M175 VanDerWaalsContact O-N 3.09Å; E171-K555 IonicContact OE1-NZ 3.85Å
172W96.3Very high88Confident0 Ų037 Ų370%022%0.218CC..Hα-helixtrans-64.5-48.7176.1175.2-117.2000113.2I17 I26 L35 I56 L59 L68 L168 L169 N170 M175 L176 Y195I17-W172 HydrophobicContact CD1-CH2 4.44Å; I26-W172 HydrophobicContact CD1-CH2 4.18Å; I26-W172 HydrophobicContact CD1-CZ2 3.88Å; I26-W172 HydrophobicContact CG2-CH2 3.96Å; L35-W172 HydrophobicContact CD1-CE3 4.2Å; L35-W172 HydrophobicContact CD1-CH2 3.89Å; L35-W172 HydrophobicContact CD1-CZ3 3.42Å; L35-W172 VanDerWaalsContact CD1-CZ3 3.42Å; I56-W172 HydrophobicContact CD1-CH2 4.36Å; I56-W172 HydrophobicContact CD1-CZ2 3.6Å; I56-W172 HydrophobicContact CG2-CD2 4.18Å; I56-W172 HydrophobicContact CG2-CG 4.29Å; L59-W172 HydrophobicContact CD1-CE3 3.94Å; L59-W172 HydrophobicContact CD2-CE3 3.88Å; L59-W172 HydrophobicContact CD2-CZ3 4.3Å; L59-W172 HydrophobicContact CG-CB 4.15Å; L59-W172 HydrophobicContact CG-CE3 3.73Å; L68-W172 HydrophobicContact CD1-CE3 4.14Å; L68-W172 HydrophobicContact CD1-CH2 4.41Å; L68-W172 HydrophobicContact CD1-CZ3 3.92Å; L168-W172 WeakPolarHBondContact O-CB 3.27Å; L168-W172 PolarHBondContact O-N 3.22Å; L169-W172 PolarHBondContact O-N 3.3Å; N170-W172 VanDerWaalsContact C-N 3.34Å; W172-M175 PolarHBondContact O-N 2.67Å; W172-L176 HydrophobicContact CD2-CD1 4.2Å; W172-L176 HydrophobicContact CD2-CG 4.29Å; W172-L176 HydrophobicContact CG-CD1 4.44Å; W172-L176 HydrophobicContact CH2-CD2 4.18Å; W172-L176 HydrophobicContact CZ2-CD1 3.91Å; W172-L176 HydrophobicContact CZ2-CD2 3.96Å; W172-L176 HydrophobicContact CZ2-CG 4.14Å; W172-L176 WeakPolarHBondContact O-CG 3.45Å; W172-L176 PolarHBondContact O-N 3.28Å; W172-Y195 PolarHBondContact NE1-O 2.75Å
173E94.1Very high85.7Confident31 Ų3146.5 Ų46.515%0.14526%0.259CS..Hα-helixtrans-63.6-42.7179.4-176.6-83.7162.300111.4Y155 L169 M175 L176 N177 R192 F193Y155-E173 HydrophobicContact CE1-CB 4.33Å; Y155-E173 HydrophobicContact CE1-CG 3.93Å; L169-E173 VanDerWaalsContact O-CB 3.25Å; L169-E173 WeakPolarHBondContact O-CB 3.41Å; L169-E173 PolarHBondContact O-N 2.96Å; E173-M175 VanDerWaalsContact C-N 3.33Å; E173-M175 PolarHBondContact O-N 3.17Å; E173-L176 PolarHBondContact O-N 3.19Å; E173-N177 WeakPolarHBondContact O-CB 3.36Å; E173-N177 PolarHBondContact O-N 3.43Å; E173-R192 IonicContact OE1-CZ 3.54Å; E173-R192 VanDerWaalsContact OE1-CZ 3.25Å; E173-R192 IonicContact OE1-NE 3.75Å; E173-R192 PolarHBondContact OE1-NE 2.8Å; E173-R192 IonicContact OE1-NH2 2.72Å; E173-R192 PolarHBondContact OE1-NH2 2.89Å; E173-F193 HydrophobicContact CG-CD1 4.17Å; E173-F193 HydrophobicContact CG-CE1 3.83Å
174S93.1Very high83.3Confident66 Ų6652.1 Ų52.146%0.46229%0.285SS..Hα-helixtrans-59.7-43.6175.7-179.70000111.6N170 N177 S178N170-S174 WeakPolarHBondContact O-CB 3.32Å; N170-S174 PolarHBondContact O-N 2.61Å; S174-N177 PolarHBondContact O-N 3.37Å; S174-S178 PolarHBondContact O-N 2.84Å
175M91.7Very high81.1Confident32 Ų3261.7 Ų61.716%0.15833%0.326CS..Hα-helixtrans-64.6-43.8176.1-163.872.871.800112L35 L59 F66 E171 W172 E173 N177 S178 T179L35-M175 HydrophobicContact CB-CG 3.82Å; L35-M175 HydrophobicContact CD1-CG 3.97Å; L35-M175 HydrophobicContact CG-CG 4.42Å; L59-M175 HydrophobicContact CD1-CB 3.9Å; L59-M175 HydrophobicContact CD1-CE 4.07Å; L59-M175 HydrophobicContact CD1-CG 4.16Å; F66-M175 HydrophobicContact CD1-CE 4.48Å; F66-M175 HydrophobicContact CD2-CE 3.79Å; F66-M175 HydrophobicContact CE1-CE 4.19Å; F66-M175 HydrophobicContact CE2-CE 3.46Å; F66-M175 VanDerWaalsContact CE2-CE 3.46Å; F66-M175 HydrophobicContact CG-CE 4.29Å; F66-M175 HydrophobicContact CZ-CE 3.67Å; E171-M175 WeakPolarHBondContact O-CB 3.43Å; E171-M175 PolarHBondContact O-N 3.42Å; E171-M175 VanDerWaalsContact O-N 3.09Å; W172-M175 PolarHBondContact O-N 2.67Å; E173-M175 VanDerWaalsContact C-N 3.33Å; E173-M175 PolarHBondContact O-N 3.17Å; M175-N177 PolarHBondContact O-N 2.85Å; M175-S178 PolarHBondContact O-N 2.67Å; M175-S178 PolarHBondContact O-OG 2.79Å; M175-T179 PolarHBondContact O-N 2.96Å; M175-T179 PolarHBondContact O-OG1 3.39Å
176L91.9Very high78.8Confident0 Ų068.8 Ų68.80%036%0.359CS..Hα-helixtrans-62.1-34175.5-71.8176000112.5I26 L35 V37 W172 E173 R192I26-L176 HydrophobicContact CD1-CD2 3.96Å; I26-L176 HydrophobicContact CG1-CD2 4.36Å; I26-L176 HydrophobicContact CG2-CD2 4.33Å; L35-L176 HydrophobicContact CD1-CD2 4.27Å; L35-L176 HydrophobicContact CD2-CD2 3.84Å; V37-L176 HydrophobicContact CG2-CD2 4.35Å; W172-L176 HydrophobicContact CD2-CD1 4.2Å; W172-L176 HydrophobicContact CD2-CG 4.29Å; W172-L176 HydrophobicContact CG-CD1 4.44Å; W172-L176 HydrophobicContact CH2-CD2 4.18Å; W172-L176 HydrophobicContact CZ2-CD1 3.91Å; W172-L176 HydrophobicContact CZ2-CD2 3.96Å; W172-L176 HydrophobicContact CZ2-CG 4.14Å; W172-L176 WeakPolarHBondContact O-CG 3.45Å; W172-L176 PolarHBondContact O-N 3.28Å; E173-L176 PolarHBondContact O-N 3.19Å; L176-R192 HydrophobicContact CB-CB 4.13Å; L176-R192 HydrophobicContact CD1-CB 4.13Å
177N88.1Confident76.7Confident92 Ų9268.5 Ų68.549%0.49236%0.361SS..Hα-helixtrans-74.3-32.9179.4-170.759.7000112.6E173 S174 M175 T179E173-N177 WeakPolarHBondContact O-CB 3.36Å; E173-N177 PolarHBondContact O-N 3.43Å; S174-N177 PolarHBondContact O-N 3.37Å; M175-N177 PolarHBondContact O-N 2.85Å; N177-T179 VanDerWaalsContact C-N 3.34Å; N177-T179 PolarHBondContact O-N 2.85Å
178S84.2Confident75Confident73 Ų7371.9 Ų71.951%0.5139%0.39SS..Hα-helixtrans-74.5-21.7-178.471.80000113.7S174 M175 S180S174-S178 PolarHBondContact O-N 2.84Å; M175-S178 PolarHBondContact O-N 2.67Å; M175-S178 PolarHBondContact O-OG 2.79Å; S178-S180 PolarHBondContact O-N 3.25Å; S178-S180 PolarHBondContact O-OG 2.99Å
179T75.6Confident73.7Confident15 Ų1575 Ų759%0.09242%0.424CS..  trans-66.535.2178.3-56.90000114.7L35 V37 M175 N177 S181L35-T179 HydrophobicContact CD2-CG2 4.16Å; L35-T179 VanDerWaalsContact CD2-OG1 3.29Å; L35-T179 WeakPolarHBondContact CD2-OG1 3.44Å; L35-T179 WeakPolarHBondContact O-CG2 3.3Å; L35-T179 PolarHBondContact O-OG1 3.39Å; V37-T179 HydrophobicContact CB-CG2 4.27Å; V37-T179 HydrophobicContact CG2-CG2 3.98Å; V37-T179 VanDerWaalsContact N-CG2 3.31Å; M175-T179 PolarHBondContact O-N 2.96Å; M175-T179 PolarHBondContact O-OG1 3.39Å; N177-T179 VanDerWaalsContact C-N 3.34Å; N177-T179 PolarHBondContact O-N 2.85Å; T179-S181 PolarHBondContact O-N 3.03Å
180S54.7Low73Confident88 Ų8877 Ų7762%0.61543%0.431SS*.  trans-65.546-171.751.90000116.9S178 F182S178-S180 PolarHBondContact O-N 3.25Å; S178-S180 PolarHBondContact O-OG 2.99Å; S180-F182 PolarHBondContact O-N 3.25Å
181S52Low72.6Confident101 Ų10176.6 Ų76.671%0.70643%0.429SS*.  trans-678147.9-70.70000112.8T179 K183T179-S181 PolarHBondContact O-N 3.03Å; S181-K183 PolarHBondContact O-N 3.02Å
182F52.8Low72.4Confident67 Ų6776.5 Ų76.529%0.29443%0.426SS..THydrogen-bonded Turntrans-63.118.5175.4-85.5-83.7000116F39 S180 H184 T187 W190F39-F182 HydrophobicContact CE2-CE1 4.42Å; F39-F182 HydrophobicContact CZ-CE1 4.28Å; F39-F182 HydrophobicContact CZ-CZ 4.47Å; S180-F182 PolarHBondContact O-N 3.25Å; F182-H184 PolarHBondContact O-N 2.99Å; F182-T187 HydrophobicContact CD1-CG2 3.7Å; F182-T187 HydrophobicContact CE1-CG2 3.7Å; F182-W190 HydrophobicContact CE1-CD2 4.13Å; F182-W190 AromaticContact CE1-CE3 3.44Å; F182-W190 HydrophobicContact CE1-CE3 3.44Å; F182-W190 VanDerWaalsContact CE1-CE3 3.44Å; F182-W190 AromaticContact CE1-CZ3 3.7Å; F182-W190 HydrophobicContact CE1-CZ3 3.7Å; F182-W190 HydrophobicContact CE2-CE3 4.26Å; F182-W190 AromaticContact CE2-CH2 3.96Å; F182-W190 HydrophobicContact CE2-CH2 3.96Å; F182-W190 AromaticContact CE2-CZ3 3.71Å; F182-W190 HydrophobicContact CE2-CZ3 3.71Å; F182-W190 AromaticContact CZ-CD2 3.79Å; F182-W190 HydrophobicContact CZ-CD2 3.79Å; F182-W190 AromaticContact CZ-CE3 3.19Å; F182-W190 HydrophobicContact CZ-CE3 3.19Å; F182-W190 AromaticContact CZ-CH2 3.56Å; F182-W190 HydrophobicContact CZ-CH2 3.56Å; F182-W190 HydrophobicContact CZ-CZ2 4.18Å; F182-W190 AromaticContact CZ-CZ3 3.05Å; F182-W190 HydrophobicContact CZ-CZ3 3.05Å
183K49.9Very low72.2Confident202 Ų20277.4 Ų77.488%0.87843%0.43SS*.THydrogen-bonded Turntrans-67.5-11.6171.5-80.6-173177177.90113.4S181S181-K183 PolarHBondContact O-N 3.02Å
184H48Very low72.1Confident122 Ų12277.2 Ų77.257%0.56543%0.43SS*.  trans-85.6118.3178.8-99.3-73.2000112.6F182 Q186 T187F182-H184 PolarHBondContact O-N 2.99Å; H184-Q186 HydrophobicContact CB-CB 4.35Å; H184-Q186 PolarHBondContact O-N 3.48Å; H184-T187 WeakPolarHBondContact O-CG2 3.49Å; H184-T187 PolarHBondContact O-N 2.89Å; H184-T187 PolarHBondContact O-OG1 3.08Å
185K50.6Low72.2Confident204 Ų20474.1 Ų74.189%0.88741%0.408SS*.G310 helixtrans-51.3-7.6162.8-77178173.1177.50114.6T187K185-T187 VanDerWaalsContact C-N 3.26Å; K185-T187 PolarHBondContact O-N 3.38Å
186Q49.5Very low72.4Confident148 Ų14872.6 Ų72.669%0.69240%0.401SS*.G310 helixtrans-76.5-5.1179.1-65.7-163.95000114H184 A188H184-Q186 HydrophobicContact CB-CB 4.35Å; H184-Q186 PolarHBondContact O-N 3.48Å; Q186-A188 VanDerWaalsContact C-N 3.27Å; Q186-A188 PolarHBondContact O-N 3.32Å
187T54.3Low72.7Confident33 Ų3372.7 Ų72.720%0.20240%0.402CS..G310 helixtrans-85.914.9-179.264.90000114.4F39 F182 H184 K185 G189 W190F39-T187 HydrophobicContact CD2-CG2 4.06Å; F39-T187 HydrophobicContact CE1-CG2 4.33Å; F39-T187 HydrophobicContact CE2-CG2 3.34Å; F39-T187 HydrophobicContact CZ-CG2 3.5Å; F182-T187 HydrophobicContact CD1-CG2 3.7Å; F182-T187 HydrophobicContact CE1-CG2 3.7Å; H184-T187 WeakPolarHBondContact O-CG2 3.49Å; H184-T187 PolarHBondContact O-N 2.89Å; H184-T187 PolarHBondContact O-OG1 3.08Å; K185-T187 VanDerWaalsContact C-N 3.26Å; K185-T187 PolarHBondContact O-N 3.38Å; T187-G189 PolarHBondContact O-N 3.28Å; T187-W190 PolarHBondContact O-N 3.25Å
188A60Low73.2Confident99 Ų9968.7 Ų68.782%0.81838%0.381SS*.THydrogen-bonded Turntrans-57.1102.7178.700000109.9Q186Q186-A188 VanDerWaalsContact C-N 3.27Å; Q186-A188 PolarHBondContact O-N 3.32Å
189G71.6Confident73.8Confident71 Ų7165.2 Ų65.273%0.73236%0.357SS*.THydrogen-bonded Turntrans115.2-11.218000000115.8T187T187-G189 PolarHBondContact O-N 3.28Å
190W83.5Confident74.9Confident41 Ų4164.6 Ų64.616%0.15535%0.353CS..  trans-80.6129171.5-174.388000111.1A24 V37 F39 F182 T187 R192 Y195A24-W190 VanDerWaalsContact CB-CD1 3.41Å; V37-W190 HydrophobicContact CG1-CZ2 4.22Å; V37-W190 HydrophobicContact CG2-CZ2 4.25Å; F39-W190 HydrophobicContact CE1-CB 3.74Å; F39-W190 HydrophobicContact CE1-CG 4Å; F39-W190 HydrophobicContact CZ-CB 3.74Å; F39-W190 HydrophobicContact CZ-CD2 4.42Å; F39-W190 AromaticContact CZ-CG 3.81Å; F39-W190 HydrophobicContact CZ-CG 3.81Å; F182-W190 HydrophobicContact CE1-CD2 4.13Å; F182-W190 AromaticContact CE1-CE3 3.44Å; F182-W190 HydrophobicContact CE1-CE3 3.44Å; F182-W190 VanDerWaalsContact CE1-CE3 3.44Å; F182-W190 AromaticContact CE1-CZ3 3.7Å; F182-W190 HydrophobicContact CE1-CZ3 3.7Å; F182-W190 HydrophobicContact CE2-CE3 4.26Å; F182-W190 AromaticContact CE2-CH2 3.96Å; F182-W190 HydrophobicContact CE2-CH2 3.96Å; F182-W190 AromaticContact CE2-CZ3 3.71Å; F182-W190 HydrophobicContact CE2-CZ3 3.71Å; F182-W190 AromaticContact CZ-CD2 3.79Å; F182-W190 HydrophobicContact CZ-CD2 3.79Å; F182-W190 AromaticContact CZ-CE3 3.19Å; F182-W190 HydrophobicContact CZ-CE3 3.19Å; F182-W190 AromaticContact CZ-CH2 3.56Å; F182-W190 HydrophobicContact CZ-CH2 3.56Å; F182-W190 HydrophobicContact CZ-CZ2 4.18Å; F182-W190 AromaticContact CZ-CZ3 3.05Å; F182-W190 HydrophobicContact CZ-CZ3 3.05Å; T187-W190 PolarHBondContact O-N 3.25Å; W190-R192 HydrophobicContact CH2-CB 3.41Å; W190-R192 VanDerWaalsContact CH2-CB 3.41Å; W190-R192 HydrophobicContact CZ2-CB 4.07Å; W190-R192 HydrophobicContact CZ3-CB 3.67Å; W190-Y195 AromaticContact NE1-CE2 3.4Å; W190-Y195 AromaticContact NE1-CZ 3.8Å
191N88Confident77Confident59 Ų5960.5 Ų60.532%0.31632%0.324SS..  trans-132.7118.7175.4-176.5-5.1000109.6F193 D194N191-F193 PolarHBondContact O-N 2.97Å; N191-F193 VanDerWaalsContact O-N 3.15Å; N191-F193 WeakPolarHBondContact OD1-CD2 3.37Å; N191-F193 PolarHBondContact OD1-N 2.92Å; N191-F193 VanDerWaalsContact OD1-N 3.08Å; N191-D194 WeakPolarHBondContact O-CB 3.43Å; N191-D194 PolarHBondContact O-N 3.04Å
192R89.8Confident79.2Confident62 Ų6255.7 Ų55.723%0.23429%0.29CS..G310 helixtrans-56.4-30.2179.267.5-169.3-173.8-78.5-1.8113.5E173 L176 W190 D194 Y195E173-R192 IonicContact OE1-CZ 3.54Å; E173-R192 VanDerWaalsContact OE1-CZ 3.25Å; E173-R192 IonicContact OE1-NE 3.75Å; E173-R192 PolarHBondContact OE1-NE 2.8Å; E173-R192 IonicContact OE1-NH2 2.72Å; E173-R192 PolarHBondContact OE1-NH2 2.89Å; L176-R192 HydrophobicContact CB-CB 4.13Å; L176-R192 HydrophobicContact CD1-CB 4.13Å; W190-R192 HydrophobicContact CH2-CB 3.41Å; W190-R192 VanDerWaalsContact CH2-CB 3.41Å; W190-R192 HydrophobicContact CZ2-CB 4.07Å; W190-R192 HydrophobicContact CZ3-CB 3.67Å; R192-D194 PolarHBondContact O-N 3Å; R192-Y195 WeakPolarHBondContact O-CB 3.41Å; R192-Y195 PolarHBondContact O-N 3.36Å; R192-Y195 VanDerWaalsContact O-N 3.12Å
193F92.8Very high81.3Confident19 Ų1953.1 Ų53.18%0.08328%0.278CS..G310 helixtrans-68.8-20.8179.8-56.3-52.1000113.1S153 Y155 E156 E173 N191 Y195 C196S153-F193 WeakPolarHBondContact OG-CB 3.27Å; Y155-F193 AromaticContact CD1-CD1 3.5Å; Y155-F193 HydrophobicContact CD1-CD1 3.5Å; Y155-F193 AromaticContact CD1-CE1 3.82Å; Y155-F193 HydrophobicContact CD1-CE1 3.82Å; Y155-F193 HydrophobicContact CD1-CG 4.48Å; Y155-F193 AromaticContact CE1-CD1 3.98Å; Y155-F193 HydrophobicContact CE1-CD1 3.98Å; Y155-F193 AromaticContact CE1-CE1 3.87Å; Y155-F193 HydrophobicContact CE1-CE1 3.87Å; E156-F193 HydrophobicContact CG-CD1 4.39Å; E156-F193 HydrophobicContact CG-CD2 4.44Å; E156-F193 HydrophobicContact CG-CE1 4.14Å; E156-F193 HydrophobicContact CG-CE2 4.19Å; E156-F193 HydrophobicContact CG-CZ 4.01Å; E156-F193 WeakPolarHBondContact OE1-CE2 3.45Å; E173-F193 HydrophobicContact CG-CD1 4.17Å; E173-F193 HydrophobicContact CG-CE1 3.83Å; N191-F193 PolarHBondContact O-N 2.97Å; N191-F193 VanDerWaalsContact O-N 3.15Å; N191-F193 WeakPolarHBondContact OD1-CD2 3.37Å; N191-F193 PolarHBondContact OD1-N 2.92Å; N191-F193 VanDerWaalsContact OD1-N 3.08Å; F193-Y195 PolarHBondContact O-N 3.44Å; F193-Y195 VanDerWaalsContact O-N 3.12Å; F193-C196 PolarHBondContact O-N 3.41Å
194D92.8Very high83.7Confident27 Ų2743.7 Ų43.714%0.14424%0.238CC..G310 helixtrans-70.7-2.6174.1-64.7-30.9000112.5M1 V2 Y3 N191 R192M1-D194 PolarHBondContact N-OD1 3.14Å; M1-D194 WeakPolarHBondContact O-CB 3.46Å; M1-D194 VanDerWaalsContact O-CG 3.23Å; V2-D194 CarbonylContact C-O 3.56Å; V2-D194 WeakPolarHBondContact CA-O 3.46Å; V2-D194 VanDerWaalsContact CG1-O 3.3Å; V2-D194 WeakPolarHBondContact CG1-O 3.41Å; Y3-D194 HydrophobicContact CD2-CB 4Å; Y3-D194 VanDerWaalsContact CD2-O 3.3Å; Y3-D194 WeakPolarHBondContact CD2-O 3.05Å; Y3-D194 HydrophobicContact CE2-CB 3.85Å; Y3-D194 PolarHBondContact N-O 3.23Å; N191-D194 WeakPolarHBondContact O-CB 3.43Å; N191-D194 PolarHBondContact O-N 3.04Å; R192-D194 PolarHBondContact O-N 3Å
195Y95.1Very high86Confident1 Ų138 Ų380%0.00421%0.213CC..G310 helixtrans-108.36.3173.1-62.2-101.1000112.8Y3 Y6 A19 S22 I26 W172 W190 R192 F193Y3-Y195 HydrophobicContact CD2-CD2 4.41Å; Y3-Y195 HydrophobicContact CD2-CE1 4.23Å; Y3-Y195 HydrophobicContact CD2-CE2 4.11Å; Y3-Y195 HydrophobicContact CE2-CD2 4.41Å; Y3-Y195 HydrophobicContact CE2-CE1 4.43Å; Y3-Y195 AromaticContact CE2-CE2 3.75Å; Y3-Y195 HydrophobicContact CE2-CE2 3.75Å; Y3-Y195 AromaticContact CE2-CZ 3.76Å; Y6-Y195 HydrophobicContact CD1-CD1 4.35Å; Y6-Y195 HydrophobicContact CD1-CE1 4.41Å; Y6-Y195 AromaticContact CE1-CD1 3.62Å; Y6-Y195 HydrophobicContact CE1-CD1 3.62Å; Y6-Y195 AromaticContact CE1-CE1 3.98Å; Y6-Y195 HydrophobicContact CE1-CE1 3.98Å; A19-Y195 HydrophobicContact CB-CE1 3.89Å; S22-Y195 PolarHBondContact OG-OH 2.94Å; S22-Y195 VanDerWaalsContact OG-OH 3.08Å; I26-Y195 HydrophobicContact CD1-CD1 3.5Å; I26-Y195 VanDerWaalsContact CD1-CD1 3.5Å; I26-Y195 HydrophobicContact CD1-CE1 3.56Å; I26-Y195 HydrophobicContact CD1-CG 4.14Å; I26-Y195 HydrophobicContact CG1-CE1 4.43Å; W172-Y195 PolarHBondContact NE1-O 2.75Å; W190-Y195 AromaticContact NE1-CE2 3.4Å; W190-Y195 AromaticContact NE1-CZ 3.8Å; R192-Y195 WeakPolarHBondContact O-CB 3.41Å; R192-Y195 PolarHBondContact O-N 3.36Å; R192-Y195 VanDerWaalsContact O-N 3.12Å; F193-Y195 PolarHBondContact O-N 3.44Å; F193-Y195 VanDerWaalsContact O-N 3.12Å
196C96.4Very high88.3Confident0 Ų029.5 Ų29.50%018%0.176CC..  trans-116.2101.4-174.3-62.50000110.2V2 Y155 L169 F193 P198V2-C196 WeakPolarHBondContact CG2-O 3.49Å; Y155-C196 HydrophobicContact CD1-CB 4.33Å; Y155-C196 HydrophobicContact CD2-CB 3.88Å; Y155-C196 HydrophobicContact CG-CB 3.66Å; L169-C196 HydrophobicContact CD2-CB 4.22Å; F193-C196 PolarHBondContact O-N 3.41Å; C196-P198 WeakPolarHBondContact O-CD 3.38Å
197V97Very high90.5Very high2 Ų222.6 Ų22.61%0.01215%0.145CC..  trans-104.7115.7-178.9700000111.7V2 I71 Y129 N165 L169V2-V197 HydrophobicContact CG1-CB 3.85Å; V2-V197 HydrophobicContact CG1-CG2 4.36Å; I71-V197 HydrophobicContact CD1-CG1 4.47Å; Y129-V197 HydrophobicContact CD2-CG1 4.46Å; Y129-V197 HydrophobicContact CD2-CG2 3.54Å; Y129-V197 HydrophobicContact CE2-CG2 4.31Å; Y129-V197 HydrophobicContact CG-CG2 4.21Å; N165-V197 PolarHBondContact ND2-O 3.03Å; L169-V197 WeakPolarHBondContact CD1-O 3.39Å
198P98Very high92.2Very high9 Ų924 Ų246%0.05816%0.156CC..  trans-66.2135.4173.1-27.140000112I154 A158 T163 C196I154-P198 HydrophobicContact CG2-CG 3.96Å; A158-P198 HydrophobicContact CB-CB 3.92Å; A158-P198 HydrophobicContact CB-CG 3.7Å; T163-P198 HydrophobicContact CG2-CB 3.87Å; C196-P198 WeakPolarHBondContact O-CD 3.38Å
199I98.6Very high93.5Very high0 Ų020.2 Ų20.20%012%0.12CC..  trans-117.3129.9179.9-60168.6000108.4W57 I71 I88 F127 W164 N165W57-I199 HydrophobicContact CD2-CD1 3.47Å; W57-I199 VanDerWaalsContact CD2-CD1 3.47Å; W57-I199 HydrophobicContact CE3-CD1 3.73Å; W57-I199 HydrophobicContact CG-CD1 3.85Å; W57-I199 HydrophobicContact CH2-CD1 4.35Å; W57-I199 HydrophobicContact CH2-CG2 4.15Å; W57-I199 HydrophobicContact CZ2-CD1 4.15Å; W57-I199 HydrophobicContact CZ3-CD1 4.15Å; W57-I199 HydrophobicContact CZ3-CG2 4.36Å; I71-I199 HydrophobicContact CD1-CD1 4.16Å; I88-I199 HydrophobicContact CD1-CD1 3.7Å; I88-I199 HydrophobicContact CD1-CG1 4.14Å; I88-I199 HydrophobicContact CD1-CG2 3.93Å; F127-I199 HydrophobicContact CB-CG2 3.92Å; F127-I199 HydrophobicContact CD1-CG2 3.96Å; F127-I199 HydrophobicContact CG-CG2 4.36Å; W164-I199 PolarHBondContact N-O 3.14Å; N165-I199 HydrophobicContact CB-CB 4.4Å; N165-I199 HydrophobicContact CB-CD1 4.21Å; N165-I199 WeakPolarHBondContact ND2-CD1 3.42Å; N165-I199 PolarHBondContact OD1-N 3.41Å
200I98.5Very high93.6Very high2 Ų219.4 Ų19.41%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-99152.1169.367.3164.2000110.4F127 Y128 L135 F162 V204 I226 R228F127-I200 WeakPolarHBondContact CA-O 3.48Å; Y128-I200 PolarHBondContact N-O 2.91Å; Y128-I200 PolarHBondContact O-N 3.16Å; L135-I200 HydrophobicContact CB-CD1 3.98Å; L135-I200 HydrophobicContact CB-CG1 4.23Å; L135-I200 HydrophobicContact CB-CG2 4.16Å; L135-I200 HydrophobicContact CD1-CD1 4.4Å; L135-I200 HydrophobicContact CD1-CG1 4.4Å; F162-I200 HydrophobicContact CB-CG2 4.42Å; F162-I200 WeakPolarHBondContact O-CA 3.19Å; F162-I200 VanDerWaalsContact O-CG2 3.28Å; F162-I200 WeakPolarHBondContact O-CG2 3.5Å; I200-V204 HydrophobicContact CD1-CG2 4.45Å; I200-I226 HydrophobicContact CD1-CG2 4.05Å; I200-R228 HydrophobicContact CD1-CG 3.99Å
201Q98.3Very high92.9Very high1 Ų121.2 Ų21.21%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-104.9141.3162.1-165.2-175.662.600109.8G126 F127 W164 R229 Q500G126-Q201 CarbonylContact O-C 3.48Å; G126-Q201 WeakPolarHBondContact O-CA 3.18Å; F127-Q201 HydrophobicContact CD1-CB 3.79Å; F127-Q201 HydrophobicContact CD1-CG 3.96Å; F127-Q201 HydrophobicContact CE1-CB 3.67Å; F127-Q201 HydrophobicContact CE1-CG 3.75Å; F127-Q201 HydrophobicContact CZ-CG 4.21Å; W164-Q201 VanDerWaalsContact CD1-N 3.32Å; W164-Q201 HydrophobicContact CD2-CB 3.49Å; W164-Q201 VanDerWaalsContact CD2-CB 3.49Å; W164-Q201 HydrophobicContact CD2-CG 4.45Å; W164-Q201 HydrophobicContact CE3-CB 4.14Å; W164-Q201 HydrophobicContact CG-CB 3.72Å; W164-Q201 HydrophobicContact CZ2-CB 4Å; Q201-R229 WeakPolarHBondContact O-CB 3.32Å; Q201-R229 PolarHBondContact O-N 2.85Å; Q201-Q500 HydrophobicContact CG-CG 4.21Å
202G97.3Very high91.5Very high0 Ų023.4 Ų23.40%013%0.132CC..EExtended strand (participates in β ladder)trans152.9-119.8174.900000110.8G126 Y128 S227 Q500G126-G202 PolarHBondContact O-N 3.22Å; Y128-G202 WeakPolarHBondContact CE2-O 3.23Å; G202-S227 VanDerWaalsContact CA-O 3.29Å; G202-S227 WeakPolarHBondContact CA-O 3.44Å; G202-Q500 PolarHBondContact O-NE2 3.29Å
203Y98.3Very high90.1Very high13 Ų1325 Ų255%0.05115%0.145CC..EExtended strand (participates in β ladder)trans-147.9138.1179.1176.5-111.8000111.6G205 L225 S227 I489 N492 N493 Y496Y203-G205 WeakPolarHBondContact OH-CA 3.41Å; Y203-L225 HydrophobicContact CD1-CD2 4.44Å; Y203-L225 HydrophobicContact CE1-CD2 4.39Å; Y203-S227 PolarHBondContact N-O 3.47Å; Y203-S227 PolarHBondContact O-N 2.8Å; Y203-I489 HydrophobicContact CE1-CG2 3.94Å; Y203-I489 WeakPolarHBondContact CE1-O 3.36Å; Y203-N492 HydrophobicContact CE1-CB 4.4Å; Y203-N492 HydrophobicContact CE2-CB 3.77Å; Y203-N492 WeakPolarHBondContact OH-CB 3.43Å; Y203-N493 HydrophobicContact CD1-CB 3.52Å; Y203-N493 HydrophobicContact CE1-CB 3.87Å; Y203-N493 HydrophobicContact CG-CB 4.26Å; Y203-Y496 AromaticContact CD2-CD2 3.3Å; Y203-Y496 HydrophobicContact CD2-CD2 3.3Å; Y203-Y496 AromaticContact CD2-CE2 3.68Å; Y203-Y496 HydrophobicContact CD2-CE2 3.68Å; Y203-Y496 AromaticContact CD2-CG 3.87Å; Y203-Y496 HydrophobicContact CD2-CG 3.87Å; Y203-Y496 AromaticContact CE2-CD2 3.81Å; Y203-Y496 HydrophobicContact CE2-CD2 3.81Å; Y203-Y496 AromaticContact CE2-CE2 3.81Å; Y203-Y496 HydrophobicContact CE2-CE2 3.81Å; Y203-Y496 HydrophobicContact CG-CD2 4.18Å; Y203-Y496 HydrophobicContact CG-CG 4.5Å
204V98.7Very high88.6Confident4 Ų424.6 Ų24.62%0.02415%0.145CC..EExtended strand (participates in β ladder)trans-126.6120.2166.7-175.90000108.6V77 I80 I85 Y128 I200 I206 L225 I226V77-V204 HydrophobicContact CG1-CG1 4.29Å; I80-V204 HydrophobicContact CD1-CG1 4.37Å; I85-V204 HydrophobicContact CG2-CB 4.48Å; I85-V204 HydrophobicContact CG2-CG1 4.07Å; I85-V204 HydrophobicContact CG2-CG2 4.5Å; Y128-V204 HydrophobicContact CD1-CB 3.75Å; Y128-V204 HydrophobicContact CD1-CG2 3.82Å; Y128-V204 HydrophobicContact CD2-CG2 4.05Å; Y128-V204 HydrophobicContact CE1-CB 3.88Å; Y128-V204 HydrophobicContact CE1-CG2 4.33Å; Y128-V204 HydrophobicContact CG-CB 4.13Å; Y128-V204 HydrophobicContact CG-CG2 3.67Å; I200-V204 HydrophobicContact CD1-CG2 4.45Å; V204-I206 HydrophobicContact CG1-CD1 4.3Å; V204-I206 HydrophobicContact CG1-CG1 4.18Å; V204-L225 WeakPolarHBondContact CA-O 3.28Å; V204-I226 HydrophobicContact CG1-CG1 4.4Å; V204-I226 HydrophobicContact CG2-CG2 4.27Å
205G98.1Very high87Confident4 Ų431.6 Ų31.64%0.04118%0.182CC..EExtended strand (participates in β ladder)trans-121.8135.2173.400000110.3Y203 S224 L225Y203-G205 WeakPolarHBondContact OH-CA 3.41Å; G205-S224 CarbonylContact O-C 3.58Å; G205-S224 VanDerWaalsContact O-CA 3.3Å; G205-S224 WeakPolarHBondContact O-CA 3.45Å; G205-L225 PolarHBondContact N-O 3.23Å; G205-L225 PolarHBondContact O-N 3.48Å
206I97.9Very high85.2Confident24 Ų2437.2 Ų37.212%0.12321%0.211CC..EExtended strand (participates in β ladder)trans-130.2129.5-179.2-56171.6000108.8V77 I80 I85 V204 V222 Y223V77-I206 HydrophobicContact CG1-CD1 4.05Å; V77-I206 HydrophobicContact CG1-CG1 4.18Å; I80-I206 HydrophobicContact CD1-CD1 4.02Å; I80-I206 HydrophobicContact CD1-CG1 4.35Å; I80-I206 HydrophobicContact CG1-CD1 3.61Å; I80-I206 HydrophobicContact CG1-CG1 4.19Å; I85-I206 HydrophobicContact CB-CD1 4.37Å; I85-I206 HydrophobicContact CG1-CD1 4.2Å; V204-I206 HydrophobicContact CG1-CD1 4.3Å; V204-I206 HydrophobicContact CG1-CG1 4.18Å; I206-V222 HydrophobicContact CG2-CG1 3.99Å; I206-Y223 CarbonylContact C-O 3.57Å; I206-Y223 WeakPolarHBondContact CA-O 3.43Å
207I95.2Very high83.5Confident4 Ų439.2 Ų39.22%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-112113.3167.8-67155.1000106.9V222 Y223 F482 R485 I489I207-V222 WeakPolarHBondContact O-CA 3.46Å; I207-Y223 HydrophobicContact CD1-CD1 4.03Å; I207-Y223 PolarHBondContact N-O 2.86Å; I207-Y223 PolarHBondContact O-N 3.37Å; I207-F482 HydrophobicContact CB-CE2 4.48Å; I207-F482 HydrophobicContact CD1-CE2 4.22Å; I207-F482 HydrophobicContact CG2-CD2 4.01Å; I207-F482 HydrophobicContact CG2-CE2 4.04Å; I207-R485 HydrophobicContact CD1-CB 3.6Å; I207-R485 HydrophobicContact CG1-CB 3.97Å; I207-I489 HydrophobicContact CD1-CD1 3.55Å; I207-I489 HydrophobicContact CD1-CG1 4.04Å; I207-I489 HydrophobicContact CG1-CD1 3.47Å; I207-I489 VanDerWaalsContact CG1-CD1 3.47Å; I207-I489 HydrophobicContact CG1-CG1 4.21Å
208S91.5Very high81.7Confident63 Ų6347.6 Ų47.644%0.44126%0.258SS..EExtended strand (participates in β ladder)trans-95.8124.9164-51.10000108.3R485S208-R485 PolarHBondContact O-NH1 2.81Å
209Y85.3Confident80.3Confident18 Ų1848 Ų487%0.07126%0.264CS..EExtended strand (participates in β ladder)trans-119.6101175.9-160.2-81.7000108.2L213 L221 W479 P480Y209-L213 HydrophobicContact CD1-CB 4.03Å; Y209-L213 HydrophobicContact CD2-CD1 4.48Å; Y209-L213 HydrophobicContact CE1-CB 3.3Å; Y209-L213 HydrophobicContact CE1-CD1 4.34Å; Y209-L213 HydrophobicContact CE1-CG 4.46Å; Y209-L213 HydrophobicContact CE2-CB 4.39Å; Y209-L213 HydrophobicContact CE2-CD1 4.25Å; Y209-L213 PolarHBondContact OH-O 3.36Å; Y209-L221 PolarHBondContact N-O 2.87Å; Y209-L221 PolarHBondContact O-N 2.8Å; Y209-W479 AromaticContact CE1-CD1 3.89Å; Y209-P480 PolarHBondContact OH-O 3.28Å
210P74.9Confident79.6Confident55 Ų5552.8 Ų52.836%0.35729%0.289SS..  trans-66.7147-179.925.1-32.9000111.5S212 L213 N220P210-S212 PolarHBondContact O-N 3.4Å; P210-S212 VanDerWaalsContact O-N 3.11Å; P210-L213 HydrophobicContact CG-CD1 3.81Å; P210-L213 HydrophobicContact CG-CG 4.06Å; P210-L213 PolarHBondContact O-N 3.28Å; P210-N220 WeakPolarHBondContact CA-OD1 3.5Å
211E67.9Low79.2Confident79 Ų7952.8 Ų52.837%0.36929%0.289SS..G310 helixtrans-51.7-34.5178.4-179.7176.5171.900112.5L213 S214 K218 G219 N220E211-L213 PolarHBondContact O-N 2.96Å; E211-S214 PolarHBondContact O-N 3.28Å; E211-S214 PolarHBondContact O-OG 2.77Å; E211-S214 VanDerWaalsContact O-OG 3.1Å; E211-K218 VanDerWaalsContact OE1-CA 3.28Å; E211-K218 WeakPolarHBondContact OE1-CA 3.42Å; E211-K218 WeakPolarHBondContact OE1-CB 3.49Å; E211-K218 WeakPolarHBondContact OE1-CG 3.38Å; E211-G219 VanDerWaalsContact CD-N 3.25Å; E211-G219 PolarHBondContact OE2-N 2.92Å; E211-N220 PolarHBondContact N-OD1 3.23Å
212S58.5Low79.1Confident104 Ų10454.2 Ų54.273%0.72730%0.298SS*.G310 helixtrans-60.7-12.6179.666.20000114.9P210P210-S212 PolarHBondContact O-N 3.4Å; P210-S212 VanDerWaalsContact O-N 3.11Å
213L62.1Low79.1Confident95 Ų9554.2 Ų54.250%0.49730%0.298SS..G310 helixtrans-96.8-5.7176.9-65.5175.4000112.9Y209 P210 E211Y209-L213 HydrophobicContact CD1-CB 4.03Å; Y209-L213 HydrophobicContact CD2-CD1 4.48Å; Y209-L213 HydrophobicContact CE1-CB 3.3Å; Y209-L213 HydrophobicContact CE1-CD1 4.34Å; Y209-L213 HydrophobicContact CE1-CG 4.46Å; Y209-L213 HydrophobicContact CE2-CB 4.39Å; Y209-L213 HydrophobicContact CE2-CD1 4.25Å; Y209-L213 PolarHBondContact OH-O 3.36Å; P210-L213 HydrophobicContact CG-CD1 3.81Å; P210-L213 HydrophobicContact CG-CG 4.06Å; P210-L213 PolarHBondContact O-N 3.28Å; E211-L213 PolarHBondContact O-N 2.96Å
214S60.9Low79.1Confident12 Ų1253.7 Ų53.78%0.08430%0.296CS..  trans-11511517657.40000111.4E211 I216 L217E211-S214 PolarHBondContact O-N 3.28Å; E211-S214 PolarHBondContact O-OG 2.77Å; E211-S214 VanDerWaalsContact O-OG 3.1Å; S214-I216 PolarHBondContact O-N 3.5Å; S214-L217 PolarHBondContact OG-O 3.16Å
215D57.5Low79.1Confident173 Ų17353.5 Ų53.593%0.92530%0.295SS*.SBendtrans-69.5-14175.5-64.6-36.2000113.1
216I58.9Low79.1Confident120 Ų12053.3 Ų53.362%0.61529%0.293SS*.SBendtrans-106.3-28.7-164.4-56174.1000113.1S214 L478S214-I216 PolarHBondContact O-N 3.5Å; I216-L478 HydrophobicContact CG2-CD2 4.45Å
217L61Low79.1Confident41 Ų4152.1 Ų52.122%0.21529%0.287CS..  trans-131.6145.1-168-74.4162.1000112.6S214 I458 W479S214-L217 PolarHBondContact OG-O 3.16Å; L217-I458 HydrophobicContact CD1-CG2 3.54Å; L217-I458 HydrophobicContact CD2-CD1 4.4Å; L217-I458 HydrophobicContact CD2-CG1 4.05Å; L217-I458 HydrophobicContact CD2-CG2 4.22Å; L217-W479 HydrophobicContact CD1-CZ2 3.97Å
218K58.4Low79.3Confident179 Ų17952 Ų5278%0.77829%0.286SS*.  trans-95.2120.3173.4-64.5-173.1177.9-179.10110.7E211 S262E211-K218 VanDerWaalsContact OE1-CA 3.28Å; E211-K218 WeakPolarHBondContact OE1-CA 3.42Å; E211-K218 WeakPolarHBondContact OE1-CB 3.49Å; E211-K218 WeakPolarHBondContact OE1-CG 3.38Å; K218-S262 PolarHBondContact O-OG 3.08Å; K218-S262 VanDerWaalsContact O-OG 3.06Å
219G67.9Low79.6Confident18 Ų1849.1 Ų49.119%0.18627%0.266CS..SBendtrans131.9136.7174.500000113.6E211 L221E211-G219 VanDerWaalsContact CD-N 3.25Å; E211-G219 PolarHBondContact OE2-N 2.92Å; G219-L221 PolarHBondContact O-N 2.88Å
220N84.4Confident80.1Confident100 Ų10048.8 Ų48.854%0.53527%0.266SS..  trans-68.7126.9172.1-64.3-33.1000109.7P210 E211P210-N220 WeakPolarHBondContact CA-OD1 3.5Å; E211-N220 PolarHBondContact N-OD1 3.23Å
221L90.6Very high81.2Confident1 Ų147 Ų471%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-91.3124.5170.7168.766.5000109.2Y209 G219 V259 I261 W479 F482Y209-L221 PolarHBondContact N-O 2.87Å; Y209-L221 PolarHBondContact O-N 2.8Å; G219-L221 PolarHBondContact O-N 2.88Å; L221-V259 HydrophobicContact CD1-CG1 3.63Å; L221-I261 HydrophobicContact CB-CD1 4.31Å; L221-I261 HydrophobicContact CD1-CB 4.12Å; L221-I261 HydrophobicContact CD1-CD1 4.19Å; L221-W479 HydrophobicContact CD2-CD2 3.86Å; L221-W479 HydrophobicContact CD2-CE3 3.69Å; L221-W479 HydrophobicContact CD2-CH2 3.94Å; L221-W479 HydrophobicContact CD2-CZ2 4.13Å; L221-W479 HydrophobicContact CD2-CZ3 3.69Å; L221-F482 HydrophobicContact CD2-CD2 4.06Å; L221-F482 HydrophobicContact CD2-CE2 3.82Å; L221-F482 HydrophobicContact CD2-CZ 4.26Å
222V95Very high82.4Confident31 Ų3145.9 Ų45.919%0.18825%0.249CC..EExtended strand (participates in β ladder)trans-115.6110.6166.8-175.20000108.8I206 I207 V259 D260I206-V222 HydrophobicContact CG2-CG1 3.99Å; I207-V222 WeakPolarHBondContact O-CA 3.46Å; V222-V259 WeakPolarHBondContact O-CA 3.37Å; V222-D260 HydrophobicContact CB-CB 4.23Å; V222-D260 PolarHBondContact N-O 2.68Å; V222-D260 PolarHBondContact O-N 3.27Å
223Y97.1Very high84Confident0 Ų042.7 Ų42.70%022%0.221CC..EExtended strand (participates in β ladder)trans-99.7128.8171.4173.3-80.2000108.8I206 I207 L225 Q257 V259 L449 F482 F486 I489 W490I206-Y223 CarbonylContact C-O 3.57Å; I206-Y223 WeakPolarHBondContact CA-O 3.43Å; I207-Y223 HydrophobicContact CD1-CD1 4.03Å; I207-Y223 PolarHBondContact N-O 2.86Å; I207-Y223 PolarHBondContact O-N 3.37Å; Y223-L225 HydrophobicContact CE1-CB 4.23Å; Y223-Q257 HydrophobicContact CD2-CG 4.38Å; Y223-Q257 HydrophobicContact CE2-CG 3.61Å; Y223-Q257 VanDerWaalsContact CE2-OE1 3.23Å; Y223-Q257 PolarHBondContact OH-OE1 2.85Å; Y223-V259 HydrophobicContact CD2-CG2 4.39Å; Y223-L449 HydrophobicContact CD2-CD2 4.31Å; Y223-L449 HydrophobicContact CE2-CD2 4.39Å; Y223-F482 AromaticContact CD2-CZ 3.91Å; Y223-F482 HydrophobicContact CD2-CZ 3.91Å; Y223-F482 HydrophobicContact CG-CE2 4.22Å; Y223-F482 AromaticContact CG-CZ 3.97Å; Y223-F482 HydrophobicContact CG-CZ 3.97Å; Y223-F486 HydrophobicContact CE1-CD2 4.2Å; Y223-F486 AromaticContact CE2-CD2 3.74Å; Y223-F486 HydrophobicContact CE2-CD2 3.74Å; Y223-F486 AromaticContact CE2-CE2 3.7Å; Y223-F486 HydrophobicContact CE2-CE2 3.7Å; Y223-F486 AromaticContact CZ-CD2 3.58Å; Y223-F486 AromaticContact CZ-CE2 3.57Å; Y223-F486 WeakPolarHBondContact OH-CE2 3.43Å; Y223-I489 HydrophobicContact CD1-CD1 4.36Å; Y223-I489 HydrophobicContact CE1-CD1 4.42Å; Y223-I489 HydrophobicContact CE1-CG2 4.24Å; Y223-W490 PolarHBondContact OH-NE1 2.8Å; Y223-W490 VanDerWaalsContact OH-NE1 3.1Å
224S98.4Very high85.4Confident2 Ų238.4 Ų38.41%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-130.4145175.3-48.90000111.3G205 L258G205-S224 CarbonylContact O-C 3.58Å; G205-S224 VanDerWaalsContact O-CA 3.3Å; G205-S224 WeakPolarHBondContact O-CA 3.45Å; S224-L258 PolarHBondContact N-O 2.98Å; S224-L258 PolarHBondContact O-N 3.24Å
225L98.7Very high86.9Confident0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-123120.2172.4-170.771.5000108.3Y203 V204 G205 Y223 T255 E256 Q257 I489 W490 N493Y203-L225 HydrophobicContact CD1-CD2 4.44Å; Y203-L225 HydrophobicContact CE1-CD2 4.39Å; V204-L225 WeakPolarHBondContact CA-O 3.28Å; G205-L225 PolarHBondContact N-O 3.23Å; G205-L225 PolarHBondContact O-N 3.48Å; Y223-L225 HydrophobicContact CE1-CB 4.23Å; L225-T255 HydrophobicContact CD1-CG2 3.53Å; L225-T255 HydrophobicContact CG-CG2 4.09Å; L225-E256 WeakPolarHBondContact CA-O 3.22Å; L225-Q257 HydrophobicContact CD1-CB 4.34Å; L225-I489 HydrophobicContact CB-CG2 3.77Å; L225-I489 HydrophobicContact CD2-CG2 3.72Å; L225-I489 HydrophobicContact CG-CG2 4.4Å; L225-W490 HydrophobicContact CD1-CH2 4.04Å; L225-W490 HydrophobicContact CD1-CZ2 3.42Å; L225-W490 VanDerWaalsContact CD1-CZ2 3.42Å; L225-W490 HydrophobicContact CD2-CD2 3.89Å; L225-W490 HydrophobicContact CD2-CE3 4.28Å; L225-W490 HydrophobicContact CD2-CG 4.33Å; L225-W490 HydrophobicContact CD2-CH2 4.35Å; L225-W490 HydrophobicContact CD2-CZ2 3.91Å; L225-W490 HydrophobicContact CG-CZ2 4.34Å; L225-N493 HydrophobicContact CD2-CB 3.91Å
226I98.8Very high88.5Confident0 Ų029.7 Ų29.70%015%0.151CC..EExtended strand (participates in β ladder)trans-115.4115.9176.3-54.5173.1000107.8I80 L135 I200 V204 R228 T255 E256 L258I80-I226 HydrophobicContact CD1-CD1 3.8Å; I80-I226 HydrophobicContact CD1-CG1 4.09Å; L135-I226 HydrophobicContact CD2-CD1 4Å; I200-I226 HydrophobicContact CD1-CG2 4.05Å; V204-I226 HydrophobicContact CG1-CG1 4.4Å; V204-I226 HydrophobicContact CG2-CG2 4.27Å; I226-R228 HydrophobicContact CG2-CG 3.87Å; I226-T255 CarbonylContact O-C 3.58Å; I226-T255 WeakPolarHBondContact O-CA 3.35Å; I226-E256 PolarHBondContact N-O 3.41Å; I226-E256 PolarHBondContact O-N 2.69Å; I226-L258 HydrophobicContact CD1-CD1 3.75Å
227S98.7Very high89.9Confident0 Ų025.9 Ų25.90%013%0.129CC..EExtended strand (participates in β ladder)trans-108.1122.4169.1-70.30000109.3G202 Y203 E254 T255 N493G202-S227 VanDerWaalsContact CA-O 3.29Å; G202-S227 WeakPolarHBondContact CA-O 3.44Å; Y203-S227 PolarHBondContact N-O 3.47Å; Y203-S227 PolarHBondContact O-N 2.8Å; S227-E254 CarbonylContact C-O 3.54Å; S227-E254 WeakPolarHBondContact CA-O 3.42Å; S227-T255 WeakPolarHBondContact OG-CG2 3.3Å; S227-T255 PolarHBondContact OG-OG1 2.76Å; S227-N493 VanDerWaalsContact CB-OD1 3.25Å; S227-N493 WeakPolarHBondContact CB-OD1 3.1Å; S227-N493 PolarHBondContact OG-OD1 2.85Å
228R98.2Very high91.3Very high0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-112.5116.9-178.4-50.2173.7-177.587.96.8109L135 H137 F162 I200 I226 V253 E254 E256L135-R228 VanDerWaalsContact O-CD 3.3Å; L135-R228 WeakPolarHBondContact O-CD 3.45Å; L135-R228 PolarHBondContact O-NE 3.22Å; H137-R228 PolarHBondContact O-NH2 3.02Å; F162-R228 HydrophobicContact CB-CB 4.09Å; F162-R228 HydrophobicContact CD1-CB 3.47Å; F162-R228 VanDerWaalsContact CD1-CB 3.47Å; F162-R228 HydrophobicContact CE1-CB 3.99Å; F162-R228 WeakPolarHBondContact CE1-O 3.44Å; F162-R228 HydrophobicContact CG-CB 3.78Å; I200-R228 HydrophobicContact CD1-CG 3.99Å; I226-R228 HydrophobicContact CG2-CG 3.87Å; R228-V253 WeakPolarHBondContact O-CA 3.22Å; R228-E254 WeakPolarHBondContact CD-OE1 3.42Å; R228-E254 IonicContact CZ-OE1 3.76Å; R228-E254 PolarHBondContact N-O 2.89Å; R228-E254 IonicContact NE-OE1 3.25Å; R228-E254 IonicContact NH1-OE1 2.65Å; R228-E254 PolarHBondContact NH1-OE1 3.01Å; R228-E254 PolarHBondContact O-N 2.88Å; R228-E256 IonicContact CZ-OE2 3.46Å; R228-E256 VanDerWaalsContact CZ-OE2 3.3Å; R228-E256 IonicContact NH1-OE2 2.7Å; R228-E256 PolarHBondContact NH1-OE2 3.4Å; R228-E256 IonicContact NH2-OE2 3.41Å; R228-E256 PolarHBondContact NH2-OE2 2.79Å
229R97.6Very high92.6Very high3 Ų316 Ų161%0.0119%0.085CC..EExtended strand (participates in β ladder)trans-83.2128.6176.1-172.6178.7176-147.42.4109.7W164 Q201 G235 V253W164-R229 VanDerWaalsContact CH2-NH1 3.28Å; W164-R229 HydrophobicContact CZ2-CB 4.32Å; W164-R229 HydrophobicContact CZ2-CG 4.04Å; W164-R229 PolarHBondContact NE1-O 2.93Å; Q201-R229 WeakPolarHBondContact O-CB 3.32Å; Q201-R229 PolarHBondContact O-N 2.85Å; R229-G235 PolarHBondContact NH2-O 3.47Å; R229-V253 HydrophobicContact CB-CG2 4.29Å; R229-V253 HydrophobicContact CG-CG2 4.21Å
230S97.5Very high93.6Very high11 Ų1115.6 Ų15.68%0.0778%0.079CC..  trans-63.3140.9175.4-175.70000110.9R161 H232 T234 T252R161-S230 CarbonylContact O-C 3.44Å; R161-S230 WeakPolarHBondContact O-CA 3.1Å; S230-H232 VanDerWaalsContact C-N 3.32Å; S230-H232 PolarHBondContact OG-N 3Å; S230-T234 PolarHBondContact O-OG1 3.17Å; S230-T252 WeakPolarHBondContact CB-O 3.34Å; S230-T252 PolarHBondContact N-O 3.25Å
231V96.7Very high94Very high19 Ų1911 Ų1112%0.1155%0.054CC..SBendtrans-77.1-23.4170.9-57.70000111.5T160 R161 W164 T234 L551 Q553T160-V231 WeakPolarHBondContact O-CG2 3.49Å; R161-V231 PolarHBondContact O-N 2.58Å; W164-V231 HydrophobicContact CD2-CG1 4.34Å; W164-V231 HydrophobicContact CG-CG1 4.04Å; V231-T234 VanDerWaalsContact C-OG1 3.22Å; V231-T234 WeakPolarHBondContact CA-OG1 3.42Å; V231-T234 WeakPolarHBondContact O-CB 3.34Å; V231-T234 PolarHBondContact O-OG1 3.44Å; V231-L551 HydrophobicContact CB-CD1 4.43Å; V231-L551 HydrophobicContact CB-CD2 4.05Å; V231-L551 HydrophobicContact CG1-CD2 3.81Å; V231-Q553 PolarHBondContact O-NE2 3.5Å
232H94.5Very high94.1Very high55 Ų5510.9 Ų10.926%0.2555%0.053SC..THydrogen-bonded Turntrans-67.4134.8177.9-61.1-72.3000110.5S230 T234 N248S230-H232 VanDerWaalsContact C-N 3.32Å; S230-H232 PolarHBondContact OG-N 3Å; H232-T234 PolarHBondContact O-N 3.2Å; H232-N248 HydrophobicContact CB-CB 3.83Å
233R91.8Very high94Very high37 Ų379.4 Ų9.414%0.145%0.045CC..THydrogen-bonded Turntrans49.943.4179.3-160.1172.4170.485.1-12.4113.4T240 R241 G242 I243 D244 N248 A250R233-T240 HydrophobicContact CG-CG2 3.88Å; R233-T240 VanDerWaalsContact O-CG2 3.27Å; R233-T240 WeakPolarHBondContact O-CG2 3.45Å; R233-R241 PolarHBondContact NH2-O 2.82Å; R233-G242 PolarHBondContact NE-O 3.31Å; R233-G242 PolarHBondContact NH2-O 2.89Å; R233-I243 VanDerWaalsContact CZ-O 3.24Å; R233-I243 PolarHBondContact NH2-O 3.27Å; R233-D244 VanDerWaalsContact CZ-N 3.29Å; R233-D244 VanDerWaalsContact NH1-CB 3.25Å; R233-N248 HydrophobicContact CB-CB 4.29Å; R233-N248 WeakPolarHBondContact CD-O 3.47Å; R233-A250 HydrophobicContact CG-CB 4.27Å
234T91.1Very high93.8Very high5 Ų510.9 Ų10.93%0.0315%0.052CC..  trans-72.9141.5175.3-66.50000110.5W164 S230 V231 H232 M547 L551W164-T234 HydrophobicContact CH2-CG2 3.56Å; W164-T234 HydrophobicContact CZ2-CG2 4.24Å; W164-T234 HydrophobicContact CZ3-CG2 4.35Å; S230-T234 PolarHBondContact O-OG1 3.17Å; V231-T234 VanDerWaalsContact C-OG1 3.22Å; V231-T234 WeakPolarHBondContact CA-OG1 3.42Å; V231-T234 WeakPolarHBondContact O-CB 3.34Å; V231-T234 PolarHBondContact O-OG1 3.44Å; H232-T234 PolarHBondContact O-N 3.2Å; T234-M547 HydrophobicContact CG2-CB 4.04Å; T234-M547 HydrophobicContact CG2-CG 4.22Å; T234-M547 HydrophobicContact CG2-SD 3.53Å; T234-M547 VanDerWaalsContact CG2-SD 3.53Å; T234-L551 HydrophobicContact CG2-CD1 3.91Å
235G91.2Very high93.4Very high1 Ų112.6 Ų12.61%0.017%0.07CC..  trans172-170.3171.400000112.4R229 T240 Y501R229-G235 PolarHBondContact NH2-O 3.47Å; G235-T240 WeakPolarHBondContact CA-OG1 3.18Å; G235-Y501 WeakPolarHBondContact O-CD2 3.45Å
236T92.1Very high93.1Very high0 Ų019.2 Ų19.20%010%0.101CC..  trans-92.7160.4-176.649.90000112.7F238 N239 T240 D540 R543 Q544 M547T236-F238 PolarHBondContact O-N 3.18Å; T236-N239 PolarHBondContact O-N 2.89Å; T236-N239 VanDerWaalsContact O-N 3.16Å; T236-N239 PolarHBondContact OG1-ND2 2.81Å; T236-T240 PolarHBondContact O-N 3.23Å; T236-D540 WeakPolarHBondContact CB-OD2 3.34Å; T236-D540 HydrophobicContact CG2-CB 3.97Å; T236-D540 WeakPolarHBondContact CG2-O 3.45Å; T236-D540 PolarHBondContact OG1-O 2.83Å; T236-R543 HydrophobicContact CG2-CB 3.9Å; T236-Q544 HydrophobicContact CG2-CB 4.26Å; T236-Q544 PolarHBondContact OG1-OE1 2.77Å; T236-M547 HydrophobicContact CG2-CE 4.27Å
237R89.2Confident92.9Very high40 Ų4019.4 Ų19.415%0.15110%0.103CC..THydrogen-bonded Turntrans-46.7-49.6-164.8-176.4-174.7179.6-160.6-3.7116.3R241 D432 Y501R237-R241 VanDerWaalsContact O-CD 3.23Å; R237-R241 WeakPolarHBondContact O-CD 3.38Å; R237-R241 WeakPolarHBondContact O-CG 3.02Å; R237-R241 PolarHBondContact O-NE 3.37Å; R237-D432 IonicContact CZ-OD1 2.61Å; R237-D432 IonicContact CZ-OD2 3.85Å; R237-D432 VanDerWaalsContact CZ-OD2 3.28Å; R237-D432 IonicContact NE-OD1 3.95Å; R237-D432 PolarHBondContact NE-OD1 2.82Å; R237-D432 IonicContact NE-OD2 3.76Å; R237-D432 PolarHBondContact NE-OD2 2.75Å; R237-D432 IonicContact NH2-OD1 3.69Å; R237-D432 PolarHBondContact NH2-OD1 3.39Å; R237-D432 IonicContact NH2-OD2 2.75Å; R237-D432 PolarHBondContact NH2-OD2 2.93Å; R237-Y501 HydrophobicContact CB-CD1 4.46Å; R237-Y501 HydrophobicContact CB-CE1 4.15Å; R237-Y501 HydrophobicContact CG-CE1 4.03Å; R237-Y501 PolarHBondContact N-O 2.81Å; R237-Y501 PolarHBondContact O-OH 3.03Å
238F88.6Confident92.7Very high7 Ų720.4 Ų20.43%0.03111%0.108CC..THydrogen-bonded Turntrans-96.7-18.7-177.9-71-36.2000113.5T236 Q281 P283 P289 N536T236-F238 PolarHBondContact O-N 3.18Å; F238-Q281 CarbonylContact C-O 3.58Å; F238-Q281 WeakPolarHBondContact CA-O 3.34Å; F238-Q281 VanDerWaalsContact CB-O 3.23Å; F238-Q281 WeakPolarHBondContact CB-O 3.41Å; F238-Q281 HydrophobicContact CD1-CB 4.49Å; F238-Q281 HydrophobicContact CD1-CG 4.08Å; F238-Q281 WeakPolarHBondContact CD1-O 3.49Å; F238-Q281 HydrophobicContact CE1-CG 4.17Å; F238-Q281 VanDerWaalsContact CE1-OE1 3.31Å; F238-P283 HydrophobicContact CB-CB 4.19Å; F238-P283 HydrophobicContact CB-CG 3.9Å; F238-P283 HydrophobicContact CD2-CB 4.2Å; F238-P289 HydrophobicContact CD2-CG 4.38Å; F238-P289 HydrophobicContact CE2-CG 4.18Å; F238-P289 HydrophobicContact CZ-CG 4.33Å; F238-N536 HydrophobicContact CD2-CB 3.64Å; F238-N536 HydrophobicContact CE2-CB 3.86Å; F238-N536 WeakPolarHBondContact CE2-ND2 3.16Å
239N87.1Confident92.6Very high6 Ų620.5 Ų20.53%0.03211%0.109CC..THydrogen-bonded Turntrans-81.2-29.7178.8-68.3-38.9000112T236 P643T236-N239 PolarHBondContact O-N 2.89Å; T236-N239 VanDerWaalsContact O-N 3.16Å; T236-N239 PolarHBondContact OG1-ND2 2.81Å; N239-P643 HydrophobicContact CB-CG 4.36Å
240T88.9Confident92.4Very high10 Ų1020.3 Ų20.36%0.06111%0.108CC..SBendtrans-132.597.8-173.9-55.60000111.2R233 G235 T236 A250 Y501 Q544R233-T240 HydrophobicContact CG-CG2 3.88Å; R233-T240 VanDerWaalsContact O-CG2 3.27Å; R233-T240 WeakPolarHBondContact O-CG2 3.45Å; G235-T240 WeakPolarHBondContact CA-OG1 3.18Å; T236-T240 PolarHBondContact O-N 3.23Å; T240-A250 HydrophobicContact CG2-CB 3.86Å; T240-A250 WeakPolarHBondContact O-CB 3.48Å; T240-Y501 PolarHBondContact O-OH 2.85Å; T240-Y501 VanDerWaalsContact O-OH 3.13Å; T240-Q544 PolarHBondContact OG1-NE2 2.99Å; T240-Q544 PolarHBondContact OG1-OE1 2.93Å
241R91.7Very high92.3Very high2 Ų220.1 Ų20.11%0.00811%0.106CC..  trans-138.4164.5176.1-77177.4168.1-155.115.5110.9R233 R237 W279 Q297 D432 Y501R233-R241 PolarHBondContact NH2-O 2.82Å; R237-R241 VanDerWaalsContact O-CD 3.23Å; R237-R241 WeakPolarHBondContact O-CD 3.38Å; R237-R241 WeakPolarHBondContact O-CG 3.02Å; R237-R241 PolarHBondContact O-NE 3.37Å; R241-W279 CarbonylContact C-O 3.51Å; R241-W279 HydrophobicContact CB-CE3 4.45Å; R241-W279 HydrophobicContact CB-CH2 4.09Å; R241-W279 HydrophobicContact CB-CZ2 4.12Å; R241-W279 HydrophobicContact CB-CZ3 4.26Å; R241-W279 HydrophobicContact CG-CH2 4.15Å; R241-W279 HydrophobicContact CG-CZ2 4.46Å; R241-W279 VanDerWaalsContact NH1-CH2 3.32Å; R241-Q297 PolarHBondContact O-NE2 3.16Å; R241-D432 IonicContact CZ-OD1 2.68Å; R241-D432 IonicContact NH2-OD1 3Å; R241-D432 PolarHBondContact NH2-OD1 3.45Å; R241-Y501 WeakPolarHBondContact CG-OH 3.36Å
242G93Very high92.3Very high0 Ų020.6 Ų20.60%011%0.109CC..SBendtrans70.4-156.9-176.900000113.1R233 A250 S274 I277 W279R233-G242 PolarHBondContact NE-O 3.31Å; R233-G242 PolarHBondContact NH2-O 2.89Å; G242-A250 PolarHBondContact O-N 2.87Å; G242-S274 PolarHBondContact N-OG 3Å; G242-I277 WeakPolarHBondContact CA-O 3.32Å; G242-W279 VanDerWaalsContact CA-CD1 3.42Å
243I93.9Very high92.5Very high0 Ų018 Ų180%010%0.098CC..BIsolated β-bridgetrans-111.3149.6-174.9-158.1161.5000111.9R233 G247 N248 P276 I277 Y278 Q297 I324 H328R233-I243 VanDerWaalsContact CZ-O 3.24Å; R233-I243 PolarHBondContact NH2-O 3.27Å; I243-G247 WeakPolarHBondContact CD1-O 3.29Å; I243-N248 WeakPolarHBondContact CA-O 3.25Å; I243-N248 WeakPolarHBondContact CG1-O 3.31Å; I243-P276 HydrophobicContact CD1-CB 3.93Å; I243-I277 WeakPolarHBondContact CG2-O 3.45Å; I243-I277 PolarHBondContact N-O 3.29Å; I243-Y278 HydrophobicContact CG2-CD1 3.72Å; I243-Y278 HydrophobicContact CG2-CE1 3.87Å; I243-Y278 HydrophobicContact CG2-CG 4.12Å; I243-Y278 WeakPolarHBondContact O-CD1 3.26Å; I243-Q297 PolarHBondContact O-OE1 3.15Å; I243-I324 HydrophobicContact CD1-CG1 3.81Å; I243-I324 HydrophobicContact CG1-CG1 4.13Å; I243-I324 HydrophobicContact CG2-CG1 3.68Å; I243-I324 HydrophobicContact CG2-CG2 4.1Å; I243-H328 HydrophobicContact CD1-CB 3.75Å
244D92.1Very high92.8Very high31 Ų3116.3 Ų16.317%0.1669%0.091CC..  trans-89.2177.3166.448.938.6000111.7R233 E246 G247 N248R233-D244 VanDerWaalsContact CZ-N 3.29Å; R233-D244 VanDerWaalsContact NH1-CB 3.25Å; D244-E246 PolarHBondContact O-N 3.18Å; D244-E246 PolarHBondContact OD1-N 3.09Å; D244-G247 PolarHBondContact O-N 3.48Å; D244-G247 VanDerWaalsContact O-N 3.16Å; D244-G247 PolarHBondContact OD1-N 3.44Å; D244-G247 VanDerWaalsContact OD1-N 3.14Å; D244-N248 PolarHBondContact N-O 3.1Å; D244-N248 VanDerWaalsContact N-O 3.08Å; D244-N248 WeakPolarHBondContact OD1-CA 3.33Å; D244-N248 WeakPolarHBondContact OD1-CB 3.4Å; D244-N248 PolarHBondContact OD1-N 3.04Å; D244-N248 WeakPolarHBondContact OD2-CB 2.88Å
245G90.2Very high93.1Very high37 Ų3716.1 Ų16.138%0.3819%0.09SC..THydrogen-bonded Turntrans-63.9-18.8176.500000114.8G247 Y278 Q327G245-G247 VanDerWaalsContact C-N 3.34Å; G245-Y278 WeakPolarHBondContact CA-OH 3.46Å; G245-Q327 PolarHBondContact O-NE2 2.89Å
246E91.9Very high93.5Very high139 Ų13916 Ų1665%0.659%0.089SC*.THydrogen-bonded Turntrans-86.2-8.1176.5-63.4-171.4155.300112.7D244 N248 Q327D244-E246 PolarHBondContact O-N 3.18Å; D244-E246 PolarHBondContact OD1-N 3.09Å; E246-N248 WeakPolarHBondContact CB-ND2 3.32Å; E246-N248 PolarHBondContact OE2-ND2 3.42Å; E246-Q327 PolarHBondContact O-NE2 3.2Å
247G94.4Very high93.8Very high4 Ų416.1 Ų16.14%0.0419%0.089CC..SBendtrans91.59.4-179.200000114I243 D244 G245 H328I243-G247 WeakPolarHBondContact CD1-O 3.29Å; D244-G247 PolarHBondContact O-N 3.48Å; D244-G247 VanDerWaalsContact O-N 3.16Å; D244-G247 PolarHBondContact OD1-N 3.44Å; D244-G247 VanDerWaalsContact OD1-N 3.14Å; G245-G247 VanDerWaalsContact C-N 3.34Å; G247-H328 PolarHBondContact O-ND1 2.97Å
248N95.2Very high94.3Very high22 Ų2214.2 Ų14.212%0.1188%0.082CC..PPolyproline II helixtrans-83.8130.9177.8-56-63.7000110.5H232 R233 I243 D244 E246H232-N248 HydrophobicContact CB-CB 3.83Å; R233-N248 HydrophobicContact CB-CB 4.29Å; R233-N248 WeakPolarHBondContact CD-O 3.47Å; I243-N248 WeakPolarHBondContact CA-O 3.25Å; I243-N248 WeakPolarHBondContact CG1-O 3.31Å; D244-N248 PolarHBondContact N-O 3.1Å; D244-N248 VanDerWaalsContact N-O 3.08Å; D244-N248 WeakPolarHBondContact OD1-CA 3.33Å; D244-N248 WeakPolarHBondContact OD1-CB 3.4Å; D244-N248 PolarHBondContact OD1-N 3.04Å; D244-N248 WeakPolarHBondContact OD2-CB 2.88Å; E246-N248 WeakPolarHBondContact CB-ND2 3.32Å; E246-N248 PolarHBondContact OE2-ND2 3.42Å
249C95.5Very high94.7Very high1 Ų114 Ų141%0.0078%0.081CC..BIsolated β-bridgetrans-90.1141.7177.7-70.70000111.5T252 P276 H328 R427C249-T252 WeakPolarHBondContact CB-OG1 2.94Å; C249-T252 PolarHBondContact O-OG1 2.88Å; C249-P276 VanDerWaalsContact SG-CA 3.5Å; C249-P276 VanDerWaalsContact SG-CB 3.5Å; C249-H328 PolarHBondContact SG-CE1 3.04Å; C249-R427 PolarHBondContact SG-NH2 3.34Å
250A94.4Very high95.1Very high0 Ų015.3 Ų15.30%09%0.089CC..THydrogen-bonded Turntrans-60.8147.1171.600000111.1R233 T240 G242 T252 S274R233-A250 HydrophobicContact CG-CB 4.27Å; T240-A250 HydrophobicContact CG2-CB 3.86Å; T240-A250 WeakPolarHBondContact O-CB 3.48Å; G242-A250 PolarHBondContact O-N 2.87Å; A250-T252 PolarHBondContact O-N 3.45Å; A250-S274 VanDerWaalsContact O-CB 3.3Å; A250-S274 WeakPolarHBondContact O-CB 3.44Å; A250-S274 PolarHBondContact O-N 3.45Å
251N94.3Very high95.3Very high6 Ų615 Ų153%0.0329%0.087CC..THydrogen-bonded Turntrans52.737.8177.9-16132.7000114D432 Y501N251-D432 PolarHBondContact ND2-O 3.18Å; N251-Y501 HydrophobicContact CB-CD1 4.35Å; N251-Y501 HydrophobicContact CB-CD2 3.86Å; N251-Y501 HydrophobicContact CB-CE1 4.22Å; N251-Y501 HydrophobicContact CB-CE2 3.71Å; N251-Y501 HydrophobicContact CB-CG 4.17Å; N251-Y501 VanDerWaalsContact ND2-CD1 3.31Å; N251-Y501 WeakPolarHBondContact ND2-CD1 3.41Å
252T97.4Very high95.2Very high29 Ų2917.3 Ų17.318%0.17810%0.103CC..  trans-72.2127.4175.7-620000110.1S230 C249 A250 R272S230-T252 WeakPolarHBondContact CB-O 3.34Å; S230-T252 PolarHBondContact N-O 3.25Å; C249-T252 WeakPolarHBondContact CB-OG1 2.94Å; C249-T252 PolarHBondContact O-OG1 2.88Å; A250-T252 PolarHBondContact O-N 3.45Å; T252-R272 CarbonylContact C-O 3.53Å; T252-R272 VanDerWaalsContact CA-O 3.29Å; T252-R272 WeakPolarHBondContact CA-O 3.48Å
253V98.1Very high95.1Very high2 Ų218.2 Ų18.21%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-132.4128.7176.7-177.70000109.3R228 R229 R272R228-V253 WeakPolarHBondContact O-CA 3.22Å; R229-V253 HydrophobicContact CB-CG2 4.29Å; R229-V253 HydrophobicContact CG-CG2 4.21Å; V253-R272 HydrophobicContact CB-CG 3.7Å; V253-R272 HydrophobicContact CG2-CG 4.36Å; V253-R272 PolarHBondContact N-O 2.94Å; V253-R272 PolarHBondContact O-N 2.89Å
254E98.6Very high95.2Very high0 Ų019.9 Ų19.90%012%0.12CC..EExtended strand (participates in β ladder)trans-93.1120.4169-174-163.376.100108.2T138 R141 F162 S227 R228 V269 L271 Y338T138-E254 HydrophobicContact CG2-CG 4.39Å; T138-E254 WeakPolarHBondContact CG2-OE1 3.49Å; T138-E254 WeakPolarHBondContact CG2-OE2 3.46Å; R141-E254 IonicContact CZ-OE2 3.66Å; R141-E254 IonicContact NH1-OE2 2.77Å; R141-E254 IonicContact NH2-OE2 3.87Å; R141-E254 PolarHBondContact NH2-OE2 3.02Å; F162-E254 HydrophobicContact CE1-CB 3.95Å; F162-E254 HydrophobicContact CE2-CB 4.43Å; F162-E254 HydrophobicContact CZ-CB 3.63Å; F162-E254 HydrophobicContact CZ-CG 4.42Å; S227-E254 CarbonylContact C-O 3.54Å; S227-E254 WeakPolarHBondContact CA-O 3.42Å; R228-E254 WeakPolarHBondContact CD-OE1 3.42Å; R228-E254 IonicContact CZ-OE1 3.76Å; R228-E254 PolarHBondContact N-O 2.89Å; R228-E254 IonicContact NE-OE1 3.25Å; R228-E254 IonicContact NH1-OE1 2.65Å; R228-E254 PolarHBondContact NH1-OE1 3.01Å; R228-E254 PolarHBondContact O-N 2.88Å; E254-V269 HydrophobicContact CG-CG1 3.72Å; E254-L271 HydrophobicContact CB-CD2 3.98Å; E254-L271 HydrophobicContact CG-CD2 3.95Å; E254-Y338 HydrophobicContact CG-CE1 4.13Å; E254-Y338 WeakPolarHBondContact OE2-CE1 3.5Å; E254-Y338 PolarHBondContact OE2-OH 3.19Å
255T98.7Very high95.5Very high1 Ų121 Ų211%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-112.9120.3177.7-62.10000109.3L225 I226 S227 V269 Q270 W490L225-T255 HydrophobicContact CD1-CG2 3.53Å; L225-T255 HydrophobicContact CG-CG2 4.09Å; I226-T255 CarbonylContact O-C 3.58Å; I226-T255 WeakPolarHBondContact O-CA 3.35Å; S227-T255 WeakPolarHBondContact OG-CG2 3.3Å; S227-T255 PolarHBondContact OG-OG1 2.76Å; T255-V269 WeakPolarHBondContact O-CA 3.27Å; T255-Q270 PolarHBondContact N-O 3.04Å; T255-Q270 PolarHBondContact O-N 2.96Å; T255-W490 HydrophobicContact CG2-CH2 3.74Å; T255-W490 HydrophobicContact CG2-CZ2 4.36Å; T255-W490 HydrophobicContact CG2-CZ3 4.39Å
256E98.8Very high95.9Very high0 Ų019.3 Ų19.30%010%0.104CC..EExtended strand (participates in β ladder)trans-113.5121.9178.3-178.3179.3-152.900110.4T138 L139 L225 I226 R228 L258 S267 F268 V269T138-E256 WeakPolarHBondContact CA-OE1 3.15Å; T138-E256 WeakPolarHBondContact CA-OE2 3.49Å; T138-E256 WeakPolarHBondContact CB-OE1 3.43Å; L139-E256 WeakPolarHBondContact CB-OE1 3.16Å; L139-E256 PolarHBondContact N-OE1 3.35Å; L225-E256 WeakPolarHBondContact CA-O 3.22Å; I226-E256 PolarHBondContact N-O 3.41Å; I226-E256 PolarHBondContact O-N 2.69Å; R228-E256 IonicContact CZ-OE2 3.46Å; R228-E256 VanDerWaalsContact CZ-OE2 3.3Å; R228-E256 IonicContact NH1-OE2 2.7Å; R228-E256 PolarHBondContact NH1-OE2 3.4Å; R228-E256 IonicContact NH2-OE2 3.41Å; R228-E256 PolarHBondContact NH2-OE2 2.79Å; E256-L258 HydrophobicContact CG-CD2 3.83Å; E256-L258 HydrophobicContact CG-CG 4.07Å; E256-L258 WeakPolarHBondContact OE1-CD2 3.19Å; E256-S267 WeakPolarHBondContact CG-OG 3.4Å; E256-S267 WeakPolarHBondContact OE1-CB 3.33Å; E256-S267 PolarHBondContact OE1-OG 3.47Å; E256-F268 WeakPolarHBondContact CA-O 3.27Å; E256-V269 HydrophobicContact CB-CG2 4.26Å; E256-V269 HydrophobicContact CG-CG2 4.05Å
257Q98.8Very high96.2Very high1 Ų112.7 Ų12.71%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-88.4125.8165.7173.4177.9-81.400108.8Y223 L225 V259 S267 F268 S445Y223-Q257 HydrophobicContact CD2-CG 4.38Å; Y223-Q257 HydrophobicContact CE2-CG 3.61Å; Y223-Q257 VanDerWaalsContact CE2-OE1 3.23Å; Y223-Q257 PolarHBondContact OH-OE1 2.85Å; L225-Q257 HydrophobicContact CD1-CB 4.34Å; Q257-V259 HydrophobicContact CG-CG2 4.31Å; Q257-S267 WeakPolarHBondContact O-CA 3.46Å; Q257-F268 HydrophobicContact CB-CB 4.4Å; Q257-F268 PolarHBondContact N-O 3.28Å; Q257-F268 PolarHBondContact O-N 3.3Å; Q257-S445 PolarHBondContact NE2-O 2.75Å; Q257-S445 PolarHBondContact OE1-O 3.4Å; Q257-S445 VanDerWaalsContact OE1-O 3.06Å
258L98.7Very high96.4Very high1 Ų112.5 Ų12.51%0.0057%0.071CC..EExtended strand (participates in β ladder)trans-113.8139.4173.5-61.8175.2000110.2I80 F81 L139 S224 I226 E256 F266I80-L258 HydrophobicContact CG2-CD1 3.69Å; F81-L258 HydrophobicContact CE2-CD1 4.01Å; F81-L258 HydrophobicContact CE2-CD2 4.46Å; F81-L258 HydrophobicContact CZ-CB 4.3Å; F81-L258 HydrophobicContact CZ-CD1 4.11Å; F81-L258 HydrophobicContact CZ-CD2 4.18Å; F81-L258 HydrophobicContact CZ-CG 4.44Å; L139-L258 HydrophobicContact CB-CD2 3.94Å; L139-L258 HydrophobicContact CD2-CD2 4.18Å; S224-L258 PolarHBondContact N-O 2.98Å; S224-L258 PolarHBondContact O-N 3.24Å; I226-L258 HydrophobicContact CD1-CD1 3.75Å; E256-L258 HydrophobicContact CG-CD2 3.83Å; E256-L258 HydrophobicContact CG-CG 4.07Å; E256-L258 WeakPolarHBondContact OE1-CD2 3.19Å; L258-F266 WeakPolarHBondContact CA-O 3.22Å
259V97.6Very high96.6Very high1 Ų111.8 Ų11.81%0.0067%0.068CC..EExtended strand (participates in β ladder)trans-132.2125.1175.3-171.70000108.2L221 V222 Y223 Q257 I261 R265 F266 L449 M453L221-V259 HydrophobicContact CD1-CG1 3.63Å; V222-V259 WeakPolarHBondContact O-CA 3.37Å; Y223-V259 HydrophobicContact CD2-CG2 4.39Å; Q257-V259 HydrophobicContact CG-CG2 4.31Å; V259-I261 HydrophobicContact CG1-CG2 4.07Å; V259-R265 CarbonylContact O-C 3.57Å; V259-R265 VanDerWaalsContact O-CA 3.27Å; V259-R265 WeakPolarHBondContact O-CA 3.33Å; V259-F266 HydrophobicContact CB-CB 4.16Å; V259-F266 HydrophobicContact CB-CD2 4.42Å; V259-F266 PolarHBondContact N-O 3.1Å; V259-F266 PolarHBondContact O-N 3.48Å; V259-L449 HydrophobicContact CB-CD1 4.43Å; V259-L449 HydrophobicContact CG1-CD1 4.03Å; V259-L449 HydrophobicContact CG2-CD1 3.52Å; V259-M453 HydrophobicContact CG1-CE 3.84Å
260D95.4Very high96.7Very high35 Ų3511.8 Ų11.819%0.1877%0.067CC..EExtended strand (participates in β ladder)trans-115.7118.1169-162.8-18.7000108.2F81 V222 H264 R265F81-D260 HydrophobicContact CD1-CB 4.2Å; F81-D260 WeakPolarHBondContact CD1-OD2 3.42Å; F81-D260 HydrophobicContact CE1-CB 3.98Å; V222-D260 HydrophobicContact CB-CB 4.23Å; V222-D260 PolarHBondContact N-O 2.68Å; V222-D260 PolarHBondContact O-N 3.27Å; D260-H264 WeakPolarHBondContact CA-O 3.36Å; D260-R265 IonicContact OD2-NE 3.74Å; D260-R265 PolarHBondContact OD2-NE 3.17Å; D260-R265 IonicContact OD2-NH2 2.66Å
261I93.1Very high96.9Very high3 Ų312 Ų122%0.0157%0.068CC..EExtended strand (participates in β ladder)trans-154.2130.2-179.4-175.4166.1000110.6L221 V259 G263 H264 M453 I456 I458 W479L221-I261 HydrophobicContact CB-CD1 4.31Å; L221-I261 HydrophobicContact CD1-CB 4.12Å; L221-I261 HydrophobicContact CD1-CD1 4.19Å; V259-I261 HydrophobicContact CG1-CG2 4.07Å; I261-G263 PolarHBondContact O-N 2.68Å; I261-H264 PolarHBondContact N-O 2.72Å; I261-H264 WeakPolarHBondContact O-CA 3.33Å; I261-H264 WeakPolarHBondContact O-CB 3.31Å; I261-H264 PolarHBondContact O-N 3Å; I261-M453 HydrophobicContact CD1-SD 4.19Å; I261-M453 HydrophobicContact CG2-CE 4.02Å; I261-M453 HydrophobicContact CG2-SD 4.39Å; I261-I456 HydrophobicContact CG2-CD1 3.79Å; I261-I458 HydrophobicContact CD1-CD1 3.58Å; I261-I458 HydrophobicContact CG1-CD1 4.22Å; I261-W479 HydrophobicContact CD1-CH2 3.76Å; I261-W479 HydrophobicContact CD1-CZ2 3.53Å
262S88.8Confident97Very high50 Ų5011.8 Ų11.835%0.357%0.067SC..THydrogen-bonded Turntrans51.134.7172.3-51.80000114.7K218 H264 N413K218-S262 PolarHBondContact O-OG 3.08Å; K218-S262 VanDerWaalsContact O-OG 3.06Å; S262-H264 VanDerWaalsContact C-N 3.31Å; S262-H264 PolarHBondContact O-CD2 2.81Å; S262-N413 PolarHBondContact O-ND2 2.94Å; S262-N413 VanDerWaalsContact O-ND2 3.11Å
263G92.2Very high97Very high19 Ų1910.5 Ų10.520%0.1966%0.059CC..THydrogen-bonded Turntrans79.97.1-177.600000114.5I261 M412I261-G263 PolarHBondContact O-N 2.68Å; G263-M412 WeakPolarHBondContact O-CA 3.38Å; G263-M412 WeakPolarHBondContact O-CB 3.49Å; G263-M412 WeakPolarHBondContact O-CG 3.45Å; G263-M412 PolarHBondContact O-N 3.03Å
264H95.3Very high96.9Very high35 Ų3510.5 Ų10.516%0.1626%0.06CC..EExtended strand (participates in β ladder)trans-105.8135.1173.1-63.2-88.4000110.4D260 I261 S262 F266 H409 D411 I456D260-H264 WeakPolarHBondContact CA-O 3.36Å; I261-H264 PolarHBondContact N-O 2.72Å; I261-H264 WeakPolarHBondContact O-CA 3.33Å; I261-H264 WeakPolarHBondContact O-CB 3.31Å; I261-H264 PolarHBondContact O-N 3Å; S262-H264 VanDerWaalsContact C-N 3.31Å; S262-H264 PolarHBondContact O-CD2 2.81Å; H264-F266 HydrophobicContact CB-CE2 3.76Å; H264-F266 HydrophobicContact CB-CZ 4.39Å; H264-H409 AromaticContact CE1-NE2 3.9Å; H264-H409 AromaticContact CG-NE2 3.69Å; H264-H409 AromaticContact ND1-CE1 3.72Å; H264-H409 AromaticContact ND1-NE2 2.9Å; H264-H409 PolarHBondContact ND1-NE2 2.88Å; H264-D411 IonicContact CE1-OD1 3.35Å; H264-I456 HydrophobicContact CB-CG2 4.21Å
265R97.5Very high96.7Very high56 Ų5610.5 Ų10.521%0.2116%0.06CC..EExtended strand (participates in β ladder)trans-116.7127.8174.6-66.8179.7179.5167.30.8110.6F81 L139 V259 D260 H409 I410 M412F81-R265 HydrophobicContact CD1-CG 4.14Å; F81-R265 HydrophobicContact CE1-CB 4.26Å; F81-R265 VanDerWaalsContact CE1-CD 3.46Å; F81-R265 HydrophobicContact CE1-CG 3.69Å; F81-R265 HydrophobicContact CZ-CG 4.36Å; L139-R265 HydrophobicContact CD2-CB 4.31Å; V259-R265 CarbonylContact O-C 3.57Å; V259-R265 VanDerWaalsContact O-CA 3.27Å; V259-R265 WeakPolarHBondContact O-CA 3.33Å; D260-R265 IonicContact OD2-NE 3.74Å; D260-R265 PolarHBondContact OD2-NE 3.17Å; D260-R265 IonicContact OD2-NH2 2.66Å; R265-H409 WeakPolarHBondContact O-CA 3.46Å; R265-I410 HydrophobicContact CB-CB 4.39Å; R265-I410 PolarHBondContact N-O 3.31Å; R265-I410 PolarHBondContact O-N 3.32Å; R265-M412 HydrophobicContact CG-CG 3.91Å; R265-M412 HydrophobicContact CG-SD 4.4Å
266F98.4Very high96.6Very high0 Ų010.5 Ų10.50%06%0.059CC..EExtended strand (participates in β ladder)trans-114.4145174.7-62.6-90.7000111.4L258 V259 H264 Q407 L408 H409 A452 I456L258-F266 WeakPolarHBondContact CA-O 3.22Å; V259-F266 HydrophobicContact CB-CB 4.16Å; V259-F266 HydrophobicContact CB-CD2 4.42Å; V259-F266 PolarHBondContact N-O 3.1Å; V259-F266 PolarHBondContact O-N 3.48Å; H264-F266 HydrophobicContact CB-CE2 3.76Å; H264-F266 HydrophobicContact CB-CZ 4.39Å; F266-Q407 HydrophobicContact CD1-CG 3.99Å; F266-L408 VanDerWaalsContact CA-O 3.23Å; F266-L408 WeakPolarHBondContact CA-O 3.17Å; F266-H409 HydrophobicContact CD1-CB 3.87Å; F266-H409 AromaticContact CD1-CG 4Å; F266-H409 HydrophobicContact CE1-CB 3.61Å; F266-H409 AromaticContact CE1-CD2 3.5Å; F266-H409 AromaticContact CE1-CG 3.3Å; F266-H409 AromaticContact CE1-ND1 3.64Å; F266-H409 AromaticContact CE1-NE2 3.97Å; F266-H409 HydrophobicContact CZ-CB 4.44Å; F266-H409 AromaticContact CZ-CD2 3.43Å; F266-H409 VanDerWaalsContact CZ-CD2 3.43Å; F266-H409 WeakPolarHBondContact CZ-CD2 3.35Å; F266-H409 AromaticContact CZ-CE1 3.71Å; F266-H409 AromaticContact CZ-CG 3.69Å; F266-H409 AromaticContact CZ-ND1 3.84Å; F266-H409 AromaticContact CZ-NE2 3.49Å; F266-H409 WeakPolarHBondContact CZ-NE2 3.34Å; F266-A452 HydrophobicContact CB-CB 4.39Å; F266-A452 HydrophobicContact CD1-CB 3.67Å; F266-A452 HydrophobicContact CD2-CB 3.79Å; F266-A452 HydrophobicContact CE1-CB 3.79Å; F266-A452 HydrophobicContact CE2-CB 3.92Å; F266-A452 HydrophobicContact CG-CB 3.66Å; F266-A452 HydrophobicContact CZ-CB 3.92Å; F266-I456 HydrophobicContact CE2-CD1 4.45Å; F266-I456 HydrophobicContact CE2-CG2 4.05Å; F266-I456 HydrophobicContact CZ-CG2 3.66Å
267S98.7Very high96.4Very high0 Ų010.5 Ų10.50%06%0.059CC..EExtended strand (participates in β ladder)trans-134.1124.1168.7167.30000110.5E256 Q257 Q407 L408E256-S267 WeakPolarHBondContact CG-OG 3.4Å; E256-S267 WeakPolarHBondContact OE1-CB 3.33Å; E256-S267 PolarHBondContact OE1-OG 3.47Å; Q257-S267 WeakPolarHBondContact O-CA 3.46Å; S267-Q407 WeakPolarHBondContact O-CB 3.46Å; S267-L408 PolarHBondContact N-O 3.38Å; S267-L408 PolarHBondContact O-N 2.96Å
268F98.8Very high96.2Very high1 Ų111.1 Ų11.10%0.0046%0.062CC..EExtended strand (participates in β ladder)trans-123.5116.4175.9178.2-114.8000110.4E256 Q257 Q270 L402 Q407 F426 L444 A448E256-F268 WeakPolarHBondContact CA-O 3.27Å; Q257-F268 HydrophobicContact CB-CB 4.4Å; Q257-F268 PolarHBondContact N-O 3.28Å; Q257-F268 PolarHBondContact O-N 3.3Å; F268-Q270 HydrophobicContact CD1-CG 4.13Å; F268-Q270 VanDerWaalsContact CE1-CD 3.46Å; F268-Q270 HydrophobicContact CE1-CG 3.49Å; F268-Q270 VanDerWaalsContact CE1-CG 3.49Å; F268-Q270 HydrophobicContact CZ-CG 3.8Å; F268-L402 HydrophobicContact CZ-CD1 4.19Å; F268-Q407 HydrophobicContact CB-CB 4.15Å; F268-Q407 HydrophobicContact CD2-CB 4.15Å; F268-F426 HydrophobicContact CE2-CE2 4.48Å; F268-F426 AromaticContact CZ-CD2 3.99Å; F268-F426 HydrophobicContact CZ-CD2 3.99Å; F268-F426 HydrophobicContact CZ-CE2 4.13Å; F268-L444 HydrophobicContact CE1-CB 4.35Å; F268-A448 HydrophobicContact CB-CB 4.06Å; F268-A448 HydrophobicContact CD1-CB 3.54Å; F268-A448 HydrophobicContact CD2-CB 3.98Å; F268-A448 HydrophobicContact CE1-CB 3.87Å; F268-A448 HydrophobicContact CE2-CB 4.3Å; F268-A448 HydrophobicContact CG-CB 3.59Å; F268-A448 HydrophobicContact CZ-CB 4.24Å
269V98.8Very high96Very high7 Ų711.1 Ų11.14%0.0426%0.062CC..EExtended strand (participates in β ladder)trans-105.4136.1-174.1-178.40000110.7T138 E254 T255 E256 Y338 Q422 T425T138-V269 HydrophobicContact CG2-CG1 4.32Å; T138-V269 HydrophobicContact CG2-CG2 3.67Å; E254-V269 HydrophobicContact CG-CG1 3.72Å; T255-V269 WeakPolarHBondContact O-CA 3.27Å; E256-V269 HydrophobicContact CB-CG2 4.26Å; E256-V269 HydrophobicContact CG-CG2 4.05Å; V269-Y338 HydrophobicContact CG1-CD1 4.33Å; V269-Y338 HydrophobicContact CG1-CE1 4.15Å; V269-Q422 PolarHBondContact O-NE2 3.36Å; V269-T425 HydrophobicContact CB-CG2 4.36Å; V269-T425 HydrophobicContact CG1-CG2 4.38Å
270Q98.5Very high95.7Very high1 Ų111.4 Ų11.41%0.0056%0.064CC..EExtended strand (participates in β ladder)trans-133.8150.6172.8-61.2-177.980.800110.5T255 F268 Q441 L444 S445T255-Q270 PolarHBondContact N-O 3.04Å; T255-Q270 PolarHBondContact O-N 2.96Å; F268-Q270 HydrophobicContact CD1-CG 4.13Å; F268-Q270 VanDerWaalsContact CE1-CD 3.46Å; F268-Q270 HydrophobicContact CE1-CG 3.49Å; F268-Q270 VanDerWaalsContact CE1-CG 3.49Å; F268-Q270 HydrophobicContact CZ-CG 3.8Å; Q270-Q441 PolarHBondContact NE2-O 3.31Å; Q270-L444 VanDerWaalsContact OE1-CD1 3.31Å; Q270-S445 PolarHBondContact NE2-OG 3.31Å
271L98.4Very high95.4Very high4 Ų410.4 Ų10.42%0.0216%0.058CC..EExtended strand (participates in β ladder)trans-111.5148178.1-60.6179.8000111E254 L332 Y338 F426 R427 S428 Q441E254-L271 HydrophobicContact CB-CD2 3.98Å; E254-L271 HydrophobicContact CG-CD2 3.95Å; L271-L332 HydrophobicContact CD1-CD1 4.06Å; L271-L332 HydrophobicContact CD1-CD2 3.87Å; L271-Y338 HydrophobicContact CD1-CD1 4.18Å; L271-Y338 HydrophobicContact CD1-CD2 3.76Å; L271-Y338 HydrophobicContact CD1-CE1 4.34Å; L271-Y338 HydrophobicContact CD1-CE2 3.93Å; L271-Y338 HydrophobicContact CD1-CG 3.89Å; L271-Y338 HydrophobicContact CD2-CD1 4.27Å; L271-Y338 HydrophobicContact CD2-CE1 3.74Å; L271-Y338 HydrophobicContact CD2-CE2 4.21Å; L271-Y338 HydrophobicContact CG-CD1 4.44Å; L271-Y338 HydrophobicContact CG-CE1 4.38Å; L271-F426 PolarHBondContact N-O 2.78Å; L271-R427 HydrophobicContact CB-CB 4.3Å; L271-R427 HydrophobicContact CB-CG 4.25Å; L271-R427 WeakPolarHBondContact O-CA 3.43Å; L271-S428 PolarHBondContact O-N 2.94Å; L271-Q441 PolarHBondContact O-NE2 2.85Å
272R97.4Very high95.1Very high2 Ų213.7 Ų13.71%0.0087%0.07CC..EExtended strand (participates in β ladder)trans-138.1149.3166.172.416972.2175.26109.6T252 V253 S428 C433 N438 N493T252-R272 CarbonylContact C-O 3.53Å; T252-R272 VanDerWaalsContact CA-O 3.29Å; T252-R272 WeakPolarHBondContact CA-O 3.48Å; V253-R272 HydrophobicContact CB-CG 3.7Å; V253-R272 HydrophobicContact CG2-CG 4.36Å; V253-R272 PolarHBondContact N-O 2.94Å; V253-R272 PolarHBondContact O-N 2.89Å; R272-S428 VanDerWaalsContact CA-O 3.25Å; R272-S428 WeakPolarHBondContact CA-O 3.39Å; R272-C433 WeakPolarHBondContact CB-SG 3.35Å; R272-N438 PolarHBondContact NH2-OD1 2.81Å; R272-N438 VanDerWaalsContact NH2-OD1 3.08Å; R272-N493 PolarHBondContact NH2-ND2 2.89Å
273G96Very high95Very high1 Ų111.3 Ų11.31%0.015%0.054CC..  trans-175.4176.2174.800000112.8S428 N429 C433G273-S428 PolarHBondContact N-O 3.02Å; G273-N429 WeakPolarHBondContact O-CB 3.21Å; G273-C433 PolarHBondContact N-SG 3.07Å; G273-C433 PolarHBondContact O-SG 3.25Å; G273-C433 VanDerWaalsContact O-SG 3.38Å
274S95.6Very high94.7Very high3 Ų312 Ų122%0.0215%0.052CC..SBendtrans-59.1163.2172-156.50000111.9G242 A250 W279 R427G242-S274 PolarHBondContact N-OG 3Å; A250-S274 VanDerWaalsContact O-CB 3.3Å; A250-S274 WeakPolarHBondContact O-CB 3.44Å; A250-S274 PolarHBondContact O-N 3.45Å; S274-W279 WeakPolarHBondContact OG-CZ2 3.27Å; S274-R427 PolarHBondContact O-NH2 3.03Å
275V95.8Very high94.2Very high0 Ų010.6 Ų10.60%05%0.046CC..  trans-60.4127.7174.3-172.70000108.7I277 W279 L347 L356 Y360V275-I277 HydrophobicContact CB-CG1 4.45Å; V275-I277 HydrophobicContact CG1-CD1 3.96Å; V275-I277 HydrophobicContact CG1-CG1 3.76Å; V275-I277 PolarHBondContact O-N 3.22Å; V275-W279 HydrophobicContact CG2-CZ2 4.36Å; V275-W279 PolarHBondContact O-NE1 3.48Å; V275-L347 HydrophobicContact CG2-CD1 3.92Å; V275-L356 HydrophobicContact CB-CD1 4.49Å; V275-L356 HydrophobicContact CG1-CD1 4.49Å; V275-L356 HydrophobicContact CG2-CD2 3.93Å; V275-L356 HydrophobicContact CG2-CG 4.15Å; V275-Y360 HydrophobicContact CG1-CD1 3.64Å; V275-Y360 HydrophobicContact CG1-CD2 3.76Å; V275-Y360 HydrophobicContact CG1-CE1 4.19Å; V275-Y360 HydrophobicContact CG1-CE2 4.32Å; V275-Y360 HydrophobicContact CG1-CG 3.38Å
276P96.1Very high93.6Very high0 Ų015 Ų150%06%0.063CC..SBendtrans-80.749.3-170.935.5-36.5000112.7I243 C249 H328 F329 Y360I243-P276 HydrophobicContact CD1-CB 3.93Å; C249-P276 VanDerWaalsContact SG-CA 3.5Å; C249-P276 VanDerWaalsContact SG-CB 3.5Å; P276-H328 HydrophobicContact CB-CB 4.21Å; P276-H328 WeakPolarHBondContact CB-CD2 3.42Å; P276-F329 HydrophobicContact CG-CE2 3.98Å; P276-F329 HydrophobicContact CG-CZ 4.07Å; P276-Y360 VanDerWaalsContact CD-CZ 3.42Å; P276-Y360 HydrophobicContact CG-CD2 4.18Å; P276-Y360 HydrophobicContact CG-CE2 3.31Å
277I95.4Very high92.9Very high0 Ų021.5 Ų21.50%09%0.089CC..SBendtrans-136.3163.1176.570.5-179.8000108.2G242 I243 V275 W279 L293 Q321 L356 A359 Y360 A363G242-I277 WeakPolarHBondContact CA-O 3.32Å; I243-I277 WeakPolarHBondContact CG2-O 3.45Å; I243-I277 PolarHBondContact N-O 3.29Å; V275-I277 HydrophobicContact CB-CG1 4.45Å; V275-I277 HydrophobicContact CG1-CD1 3.96Å; V275-I277 HydrophobicContact CG1-CG1 3.76Å; V275-I277 PolarHBondContact O-N 3.22Å; I277-W279 PolarHBondContact O-N 3.08Å; I277-W279 VanDerWaalsContact O-N 3.17Å; I277-L293 HydrophobicContact CD1-CD2 4.45Å; I277-Q321 VanDerWaalsContact CB-OE1 3.25Å; I277-Q321 HydrophobicContact CG2-CB 4.45Å; I277-L356 HydrophobicContact CD1-CD1 3.97Å; I277-L356 HydrophobicContact CG1-CD1 4.31Å; I277-A359 HydrophobicContact CD1-CB 3.9Å; I277-Y360 HydrophobicContact CG2-CD2 4.19Å; I277-A363 HydrophobicContact CG2-CB 3.74Å
278Y93.9Very high92.2Very high15 Ų1529 Ų296%0.05912%0.121CC..SBendtrans-71.9108.1175.7-64.2-66.2000110.4I243 G245 G294 Q297 L298 I320 Q321 I324I243-Y278 HydrophobicContact CG2-CD1 3.72Å; I243-Y278 HydrophobicContact CG2-CE1 3.87Å; I243-Y278 HydrophobicContact CG2-CG 4.12Å; I243-Y278 WeakPolarHBondContact O-CD1 3.26Å; G245-Y278 WeakPolarHBondContact CA-OH 3.46Å; Y278-G294 PolarHBondContact O-N 2.95Å; Y278-Q297 HydrophobicContact CD1-CB 4.19Å; Y278-L298 HydrophobicContact CD2-CD1 4Å; Y278-L298 HydrophobicContact CE2-CD1 4.06Å; Y278-L298 HydrophobicContact CG-CB 4.49Å; Y278-I320 HydrophobicContact CD2-CG2 3.95Å; Y278-I320 HydrophobicContact CE2-CG2 3.89Å; Y278-Q321 PolarHBondContact O-NE2 3.24Å; Y278-I324 HydrophobicContact CD2-CB 4.45Å; Y278-I324 HydrophobicContact CD2-CG2 3.88Å; Y278-I324 HydrophobicContact CE1-CG1 4.42Å; Y278-I324 HydrophobicContact CE2-CB 3.74Å; Y278-I324 HydrophobicContact CE2-CG1 3.92Å; Y278-I324 HydrophobicContact CE2-CG2 3.67Å
279W93.6Very high91.6Very high1 Ų129.1 Ų29.10%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-153.5158.4172.871.4-80.7000110.9R241 G242 S274 V275 I277 Q281 V291 L292 L293 L356 I431R241-W279 CarbonylContact C-O 3.51Å; R241-W279 HydrophobicContact CB-CE3 4.45Å; R241-W279 HydrophobicContact CB-CH2 4.09Å; R241-W279 HydrophobicContact CB-CZ2 4.12Å; R241-W279 HydrophobicContact CB-CZ3 4.26Å; R241-W279 HydrophobicContact CG-CH2 4.15Å; R241-W279 HydrophobicContact CG-CZ2 4.46Å; R241-W279 VanDerWaalsContact NH1-CH2 3.32Å; G242-W279 VanDerWaalsContact CA-CD1 3.42Å; S274-W279 WeakPolarHBondContact OG-CZ2 3.27Å; V275-W279 HydrophobicContact CG2-CZ2 4.36Å; V275-W279 PolarHBondContact O-NE1 3.48Å; I277-W279 PolarHBondContact O-N 3.08Å; I277-W279 VanDerWaalsContact O-N 3.17Å; W279-Q281 HydrophobicContact CZ3-CB 4.28Å; W279-V291 HydrophobicContact CE3-CG1 3.89Å; W279-V291 HydrophobicContact CZ3-CG1 4.37Å; W279-V291 HydrophobicContact CZ3-CG2 4.47Å; W279-L292 CarbonylContact C-O 3.54Å; W279-L292 WeakPolarHBondContact CA-O 3.49Å; W279-L293 HydrophobicContact CB-CD2 4.19Å; W279-L356 HydrophobicContact CB-CD1 3.81Å; W279-L356 HydrophobicContact CD2-CD1 3.73Å; W279-L356 HydrophobicContact CD2-CD2 3.92Å; W279-L356 HydrophobicContact CE3-CD1 4.27Å; W279-L356 HydrophobicContact CE3-CD2 3.95Å; W279-L356 HydrophobicContact CG-CD1 3.49Å; W279-L356 VanDerWaalsContact CG-CD1 3.49Å; W279-L356 HydrophobicContact CH2-CD2 3.91Å; W279-L356 HydrophobicContact CZ2-CD2 3.91Å; W279-L356 HydrophobicContact CZ3-CD2 3.93Å; W279-I431 HydrophobicContact CH2-CD1 3.55Å; W279-I431 HydrophobicContact CH2-CG1 4.43Å; W279-I431 HydrophobicContact CZ3-CD1 3.77Å
280S90.9Very high91Very high6 Ų630.8 Ų30.84%0.04214%0.137CC..EExtended strand (participates in β ladder)trans-144.9159.3177.9630000111.6L292S280-L292 PolarHBondContact N-O 3.24Å; S280-L292 PolarHBondContact O-N 2.7Å
281Q89.1Confident90.5Very high14 Ų1431.8 Ų31.87%0.06514%0.143CC..  trans-144.385.1172.4-179.3173.160.700107.1F238 W279 P289F238-Q281 CarbonylContact C-O 3.58Å; F238-Q281 WeakPolarHBondContact CA-O 3.34Å; F238-Q281 VanDerWaalsContact CB-O 3.23Å; F238-Q281 WeakPolarHBondContact CB-O 3.41Å; F238-Q281 HydrophobicContact CD1-CB 4.49Å; F238-Q281 HydrophobicContact CD1-CG 4.08Å; F238-Q281 WeakPolarHBondContact CD1-O 3.49Å; F238-Q281 HydrophobicContact CE1-CG 4.17Å; F238-Q281 VanDerWaalsContact CE1-OE1 3.31Å; W279-Q281 HydrophobicContact CZ3-CB 4.28Å; Q281-P289 HydrophobicContact CG-CB 3.87Å; Q281-P289 HydrophobicContact CG-CG 4.4Å; Q281-P289 PolarHBondContact NE2-O 3.08Å
282R86.9Confident90.1Very high73 Ų7336.1 Ų36.128%0.27517%0.165SC..  trans-78.4145.3-172.8-67.7-67.2-175.2136.3-0.9111.8P289R282-P289 WeakPolarHBondContact O-CB 3.4Å; R282-P289 WeakPolarHBondContact O-CG 3.4Å
283P86.9Confident89.6Confident0 Ų038.9 Ų38.90%018%0.18CC..  trans-69.3137.6176.817.3-11.4000110.8F238 V640F238-P283 HydrophobicContact CB-CB 4.19Å; F238-P283 HydrophobicContact CB-CG 3.9Å; F238-P283 HydrophobicContact CD2-CB 4.2Å; P283-V640 HydrophobicContact CB-CG1 3.78Å; P283-V640 HydrophobicContact CB-CG2 4.22Å; P283-V640 HydrophobicContact CG-CG1 3.69Å
284N86Confident88.7Confident32 Ų3239.8 Ų39.817%0.17119%0.189CC..SBendtrans-149.134.5-177.967.1-5.8000112.7R286 D637N284-R286 PolarHBondContact O-N 3.28Å; N284-R286 WeakPolarHBondContact OD1-CB 3.33Å; N284-R286 VanDerWaalsContact OD1-CG 3.3Å; N284-R286 WeakPolarHBondContact OD1-CG 3.47Å; N284-R286 PolarHBondContact OD1-N 3.23Å; N284-D637 WeakPolarHBondContact CA-OD1 3.23Å; N284-D637 WeakPolarHBondContact CB-OD1 3.33Å
285L85.6Confident87.3Confident6 Ų640.6 Ų40.63%0.03120%0.198CC..SBendtrans60.5-11-167.8-57.9-174.8000116Y533 N537 F538 I632 F633 F639 V640L285-Y533 WeakPolarHBondContact O-CE2 3.35Å; L285-Y533 PolarHBondContact O-OH 2.71Å; L285-N537 VanDerWaalsContact CA-OD1 3.31Å; L285-N537 WeakPolarHBondContact CA-OD1 3.45Å; L285-N537 HydrophobicContact CD2-CB 4Å; L285-N537 PolarHBondContact N-OD1 2.79Å; L285-N537 VanDerWaalsContact N-OD1 3.07Å; L285-F538 HydrophobicContact CD2-CE1 4.03Å; L285-F538 HydrophobicContact CD2-CZ 3.69Å; L285-I632 HydrophobicContact CD1-CG2 3.64Å; L285-F633 HydrophobicContact CB-CD1 3.95Å; L285-F633 HydrophobicContact CB-CE1 4.01Å; L285-F633 WeakPolarHBondContact O-CE1 3.35Å; L285-F639 HydrophobicContact CD1-CB 3.94Å; L285-F639 HydrophobicContact CD1-CD2 4.31Å; L285-F639 HydrophobicContact CD1-CG 4.35Å; L285-F639 HydrophobicContact CD2-CB 4.32Å; L285-F639 HydrophobicContact CG-CB 4.35Å; L285-V640 HydrophobicContact CD2-CG2 4.12Å; L285-V640 HydrophobicContact CG-CG2 4.4Å
286R85.7Confident85.5Confident150 Ų15042.4 Ų42.457%0.56621%0.21SC*.  trans-71.7142.7175.3-58.7-178.9-178.1-173.70.3109.9N284 K288 P289N284-R286 PolarHBondContact O-N 3.28Å; N284-R286 WeakPolarHBondContact OD1-CB 3.33Å; N284-R286 VanDerWaalsContact OD1-CG 3.3Å; N284-R286 WeakPolarHBondContact OD1-CG 3.47Å; N284-R286 PolarHBondContact OD1-N 3.23Å; R286-K288 PolarHBondContact O-N 2.79Å; R286-P289 WeakPolarHBondContact O-CD 3.31Å
287Y83.4Confident83.9Confident136 Ų13643.3 Ų43.353%0.53321%0.214SC..SBendtrans-58.1-36.7177.4-178.1-107.6000112.8Y533Y287-Y533 AromaticContact CD2-CD2 3.93Å; Y287-Y533 HydrophobicContact CD2-CD2 3.93Å; Y287-Y533 HydrophobicContact CD2-CG 4.45Å
288K83.4Confident82.4Confident158 Ų15843.4 Ų43.469%0.68722%0.215SC*.SBendtrans-130.995.9172.4-71.4-176.5-179.3-175.20109.3R286R286-K288 PolarHBondContact O-N 2.79Å
289P85.6Confident80.6Confident2 Ų245.4 Ų45.41%0.01323%0.231CC..PPolyproline II helixtrans-63.2166176.5-19.931.8000112.3F238 Q281 R282 R286F238-P289 HydrophobicContact CD2-CG 4.38Å; F238-P289 HydrophobicContact CE2-CG 4.18Å; F238-P289 HydrophobicContact CZ-CG 4.33Å; Q281-P289 HydrophobicContact CG-CB 3.87Å; Q281-P289 HydrophobicContact CG-CG 4.4Å; Q281-P289 PolarHBondContact NE2-O 3.08Å; R282-P289 WeakPolarHBondContact O-CB 3.4Å; R282-P289 WeakPolarHBondContact O-CG 3.4Å; R286-P289 WeakPolarHBondContact O-CD 3.31Å
290A86.1Confident78.7Confident43 Ų4348.3 Ų48.336%0.35525%0.252SS..PPolyproline II helixtrans-74.2145.1-178.900000112.3M352A290-M352 HydrophobicContact CB-CE 3.89Å
291V89.2Confident76.9Confident22 Ų2249.9 Ų49.913%0.13326%0.263CS..PPolyproline II helixtrans-83123.4168.6175.80000108.2W279 M352 L356 I431W279-V291 HydrophobicContact CE3-CG1 3.89Å; W279-V291 HydrophobicContact CZ3-CG1 4.37Å; W279-V291 HydrophobicContact CZ3-CG2 4.47Å; V291-M352 HydrophobicContact CG2-CB 4.49Å; V291-L356 HydrophobicContact CG1-CB 4.16Å; V291-L356 HydrophobicContact CG1-CD1 4.41Å; V291-L356 HydrophobicContact CG1-CD2 4.35Å; V291-I431 HydrophobicContact CG2-CD1 4.37Å
292L88.8Confident75.3Confident94 Ų9450.4 Ų50.449%0.49227%0.266SS..EExtended strand (participates in β ladder)trans-114.2117.8-179.9-63.5171.6000109.4W279 S280W279-L292 CarbonylContact C-O 3.54Å; W279-L292 WeakPolarHBondContact CA-O 3.49Å; S280-L292 PolarHBondContact N-O 3.24Å; S280-L292 PolarHBondContact O-N 2.7Å
293L87.7Confident73.5Confident61 Ų6152 Ų5232%0.31928%0.283SS..EExtended strand (participates in β ladder)trans-79.1142.2171.4-61.2176.8000109.6I277 W279 G295 L317 L356 A359I277-L293 HydrophobicContact CD1-CD2 4.45Å; W279-L293 HydrophobicContact CB-CD2 4.19Å; L293-G295 VanDerWaalsContact C-N 3.26Å; L293-G295 PolarHBondContact O-N 2.91Å; L293-L317 HydrophobicContact CB-CD2 4.24Å; L293-L356 HydrophobicContact CD2-CD1 3.79Å; L293-A359 HydrophobicContact CD1-CB 3.83Å; L293-A359 HydrophobicContact CD2-CB 4.06Å
294G77.8Confident71.6Confident19 Ų1960.3 Ų60.320%0.19632%0.322CS..THydrogen-bonded Turntrans64.523.7174.200000115.3Y278Y278-G294 PolarHBondContact O-N 2.95Å
295G65.5Low69.6Low20 Ų2061.8 Ų61.821%0.20634%0.335CS..  trans-68.3-157.8-175.200000115.2L293 Q297 L298L293-G295 VanDerWaalsContact C-N 3.26Å; L293-G295 PolarHBondContact O-N 2.91Å; G295-Q297 PolarHBondContact O-N 2.94Å; G295-L298 WeakPolarHBondContact O-CB 3.34Å; G295-L298 PolarHBondContact O-N 3.38Å
296S58.4Low67.9Low38 Ų3867 Ų6727%0.26637%0.369SS..Hα-helixtrans-47.6-17.2-17262.80000117.9S299 S300S296-S299 VanDerWaalsContact C-OG 3.27Å; S296-S299 VanDerWaalsContact CA-OG 3.27Å; S296-S299 WeakPolarHBondContact CA-OG 3.41Å; S296-S299 PolarHBondContact O-OG 3.12Å; S296-S300 PolarHBondContact O-N 3.1Å; S296-S300 PolarHBondContact O-OG 3.39Å
297Q62Low66.2Low19 Ų1966.4 Ų66.49%0.08938%0.377CS..Hα-helixtrans-83-31.6-180-65.3175.1-8.400112.5R241 I243 Y278 G295 S300 S301R241-Q297 PolarHBondContact O-NE2 3.16Å; I243-Q297 PolarHBondContact O-OE1 3.15Å; Y278-Q297 HydrophobicContact CD1-CB 4.19Å; G295-Q297 PolarHBondContact O-N 2.94Å; Q297-S300 WeakPolarHBondContact CA-OG 3.3Å; Q297-S300 PolarHBondContact O-OG 3.31Å; Q297-S301 WeakPolarHBondContact O-CB 3.44Å; Q297-S301 PolarHBondContact O-N 3.43Å; Q297-S301 PolarHBondContact O-OG 3.38Å
298L64Low64.8Low3 Ų363.2 Ų63.22%0.01637%0.369CS..Hα-helixtrans-69.7-43169.9-175.655.3000109.5Y278 G295 S300 S301 I302 I313 L317 I320Y278-L298 HydrophobicContact CD2-CD1 4Å; Y278-L298 HydrophobicContact CE2-CD1 4.06Å; Y278-L298 HydrophobicContact CG-CB 4.49Å; G295-L298 WeakPolarHBondContact O-CB 3.34Å; G295-L298 PolarHBondContact O-N 3.38Å; L298-S300 VanDerWaalsContact C-N 3.34Å; L298-S300 PolarHBondContact O-N 3.25Å; L298-S301 PolarHBondContact O-N 3.39Å; L298-I302 HydrophobicContact CD1-CD1 3.59Å; L298-I302 HydrophobicContact CD1-CG1 3.89Å; L298-I302 HydrophobicContact CD2-CD1 4.32Å; L298-I302 HydrophobicContact CG-CD1 3.64Å; L298-I302 HydrophobicContact CG-CG1 4.26Å; L298-I302 WeakPolarHBondContact O-CB 3.26Å; L298-I302 VanDerWaalsContact O-CG1 3.31Å; L298-I302 WeakPolarHBondContact O-CG1 3.34Å; L298-I302 PolarHBondContact O-N 3.41Å; L298-I313 HydrophobicContact CD2-CG2 3.35Å; L298-I313 HydrophobicContact CG-CG2 4.12Å; L298-L317 HydrophobicContact CD2-CD1 3.67Å; L298-I320 HydrophobicContact CD1-CD1 4.32Å; L298-I320 HydrophobicContact CD1-CG2 3.45Å; L298-I320 VanDerWaalsContact CD1-CG2 3.45Å; L298-I320 HydrophobicContact CD2-CD1 4.26Å; L298-I320 HydrophobicContact CD2-CG2 4.27Å
299S55.9Low63.5Low56 Ų5659.6 Ų59.639%0.39236%0.36SS..Hα-helixtrans-63.5-37.2175.360.90000112.4S296 I302 T303S296-S299 VanDerWaalsContact C-OG 3.27Å; S296-S299 VanDerWaalsContact CA-OG 3.27Å; S296-S299 WeakPolarHBondContact CA-OG 3.41Å; S296-S299 PolarHBondContact O-OG 3.12Å; S299-I302 PolarHBondContact O-N 3.48Å; S299-T303 WeakPolarHBondContact O-CG2 3.4Å; S299-T303 PolarHBondContact O-N 2.85Å; S299-T303 PolarHBondContact O-OG1 3.23Å; S299-T303 VanDerWaalsContact O-OG1 3.05Å
300S54.8Low62.4Low62 Ų6265.9 Ų65.943%0.43439%0.394SS..Hα-helixtrans-68.7-32.3173.364.70000113.5S296 Q297 L298 T303S296-S300 PolarHBondContact O-N 3.1Å; S296-S300 PolarHBondContact O-OG 3.39Å; Q297-S300 WeakPolarHBondContact CA-OG 3.3Å; Q297-S300 PolarHBondContact O-OG 3.31Å; L298-S300 VanDerWaalsContact C-N 3.34Å; L298-S300 PolarHBondContact O-N 3.25Å; S300-T303 VanDerWaalsContact C-OG1 3.29Å; S300-T303 WeakPolarHBondContact CA-OG1 3.3Å; S300-T303 PolarHBondContact O-OG1 3.21Å
301S53Low61.1Low40 Ų4070.3 Ų70.328%0.2841%0.411SS..Hα-helixtrans-75.9-35175.9-52.80000111.6Q297 L298Q297-S301 WeakPolarHBondContact O-CB 3.44Å; Q297-S301 PolarHBondContact O-N 3.43Å; Q297-S301 PolarHBondContact O-OG 3.38Å; L298-S301 PolarHBondContact O-N 3.39Å
302I55Low59.8Low25 Ų2573 Ų7313%0.12842%0.423CS..Hα-helixtrans-82.9-17.5178.9-65.8177.4000112.2L298 S299 H304 S305 L308 I313 I320L298-I302 HydrophobicContact CD1-CD1 3.59Å; L298-I302 HydrophobicContact CD1-CG1 3.89Å; L298-I302 HydrophobicContact CD2-CD1 4.32Å; L298-I302 HydrophobicContact CG-CD1 3.64Å; L298-I302 HydrophobicContact CG-CG1 4.26Å; L298-I302 WeakPolarHBondContact O-CB 3.26Å; L298-I302 VanDerWaalsContact O-CG1 3.31Å; L298-I302 WeakPolarHBondContact O-CG1 3.34Å; L298-I302 PolarHBondContact O-N 3.41Å; S299-I302 PolarHBondContact O-N 3.48Å; I302-H304 PolarHBondContact O-N 2.74Å; I302-S305 CarbonylContact O-C 3Å; I302-S305 WeakPolarHBondContact O-CA 3.28Å; I302-S305 PolarHBondContact O-N 3.49Å; I302-L308 HydrophobicContact CD1-CD1 4.29Å; I302-L308 HydrophobicContact CG2-CB 4.16Å; I302-L308 HydrophobicContact CG2-CD1 4.09Å; I302-I313 HydrophobicContact CD1-CD1 3.85Å; I302-I313 HydrophobicContact CD1-CG1 3.83Å; I302-I313 HydrophobicContact CD1-CG2 4.3Å; I302-I313 HydrophobicContact CG2-CD1 4.49Å; I302-I320 HydrophobicContact CD1-CD1 4.25Å
303T49.2Very low58.8Low105 Ų10569.5 Ų69.564%0.64440%0.404SS*.THydrogen-bonded Turntrans-57.7-14.2177.525.20000114.3S299 S300 S305S299-T303 WeakPolarHBondContact O-CG2 3.4Å; S299-T303 PolarHBondContact O-N 2.85Å; S299-T303 PolarHBondContact O-OG1 3.23Å; S299-T303 VanDerWaalsContact O-OG1 3.05Å; S300-T303 VanDerWaalsContact C-OG1 3.29Å; S300-T303 WeakPolarHBondContact CA-OG1 3.3Å; S300-T303 PolarHBondContact O-OG1 3.21Å; T303-S305 VanDerWaalsContact C-N 3.34Å
304H47Very low57.8Low176 Ų17669.2 Ų69.282%0.81542%0.416SS*.THydrogen-bonded Turntrans-81.4-6.5168.2-68.2-58.7000115.1I302I302-H304 PolarHBondContact O-N 2.74Å
305S44.6Very low57.4Low63 Ų6376.9 Ų76.944%0.44144%0.444SS..SBendtrans-123.382.3175.4-174.80000109.5I302 T303 N307I302-S305 CarbonylContact O-C 3Å; I302-S305 WeakPolarHBondContact O-CA 3.28Å; I302-S305 PolarHBondContact O-N 3.49Å; T303-S305 VanDerWaalsContact C-N 3.34Å; S305-N307 PolarHBondContact O-N 2.86Å
306P48Very low58.3Low116 Ų11679.8 Ų79.875%0.75346%0.455SS*.THydrogen-bonded Turntrans-65.610.8-168.923.5-33.1000116.8
307N50.8Low59.8Low137 Ų13779.6 Ų79.673%0.73345%0.45SS*.THydrogen-bonded Turntrans-115.410.8-170.1-68.4-16.2000115.6S305S305-N307 PolarHBondContact O-N 2.86Å
308L53.6Low61.1Low68 Ų6885.7 Ų85.736%0.35648%0.479SS..  trans-106.2118.3176.5-69.3172.6000111.1I302 E312 I313I302-L308 HydrophobicContact CD1-CD1 4.29Å; I302-L308 HydrophobicContact CG2-CB 4.16Å; I302-L308 HydrophobicContact CG2-CD1 4.09Å; L308-E312 HydrophobicContact CD2-CB 4.08Å; L308-I313 HydrophobicContact CB-CG1 4.12Å
309T56.7Low62.4Low82 Ų8288.1 Ų88.150%0.50350%0.5SS..  trans-73152.3170.760.30000110.9N311 E312 I313T309-N311 PolarHBondContact O-N 3Å; T309-E312 PolarHBondContact N-OE2 3.35Å; T309-E312 WeakPolarHBondContact O-CA 3.37Å; T309-E312 WeakPolarHBondContact O-CB 3.33Å; T309-E312 PolarHBondContact O-N 3.08Å; T309-E312 VanDerWaalsContact OG1-CD 3.27Å; T309-E312 WeakPolarHBondContact OG1-CG 3.38Å; T309-E312 PolarHBondContact OG1-OE2 3.26Å; T309-I313 PolarHBondContact O-N 3.32Å
310D62.3Low64Low135 Ų13587.1 Ų87.172%0.72249%0.489SS*.Hα-helixtrans-52-32.8177.9-74.9-27.9000113I313 G314D310-I313 PolarHBondContact O-N 2.9Å; D310-G314 PolarHBondContact O-N 2.8Å
311N59.5Low65.9Low135 Ų13584.5 Ų84.572%0.72247%0.47SS*.Hα-helixtrans-67.7-37.6175.5-82.1-24.2000113.1T309 K315T309-N311 PolarHBondContact O-N 3Å; N311-K315 WeakPolarHBondContact O-CG 3.49Å; N311-K315 PolarHBondContact O-N 2.89Å
312E62.3Low67.9Low80 Ų8083 Ų8337%0.37446%0.461SS..Hα-helixtrans-72.2-37.2175.5-70.4164142.100111.1L308 T309 G314 K315 N316L308-E312 HydrophobicContact CD2-CB 4.08Å; T309-E312 PolarHBondContact N-OE2 3.35Å; T309-E312 WeakPolarHBondContact O-CA 3.37Å; T309-E312 WeakPolarHBondContact O-CB 3.33Å; T309-E312 PolarHBondContact O-N 3.08Å; T309-E312 VanDerWaalsContact OG1-CD 3.27Å; T309-E312 WeakPolarHBondContact OG1-CG 3.38Å; T309-E312 PolarHBondContact OG1-OE2 3.26Å; E312-G314 VanDerWaalsContact C-N 3.33Å; E312-G314 PolarHBondContact O-N 3.05Å; E312-K315 PolarHBondContact O-N 3.17Å; E312-N316 WeakPolarHBondContact O-CB 3.2Å; E312-N316 PolarHBondContact O-N 3.43Å
313I66Low69.8Low20 Ų2086.2 Ų86.210%0.10348%0.478CS..Hα-helixtrans-59-47.2172.9-62.7175.1000110L298 I302 L308 T309 D310 K315 N316 L317L298-I313 HydrophobicContact CD2-CG2 3.35Å; L298-I313 HydrophobicContact CG-CG2 4.12Å; I302-I313 HydrophobicContact CD1-CD1 3.85Å; I302-I313 HydrophobicContact CD1-CG1 3.83Å; I302-I313 HydrophobicContact CD1-CG2 4.3Å; I302-I313 HydrophobicContact CG2-CD1 4.49Å; L308-I313 HydrophobicContact CB-CG1 4.12Å; T309-I313 PolarHBondContact O-N 3.32Å; D310-I313 PolarHBondContact O-N 2.9Å; I313-K315 VanDerWaalsContact C-N 3.32Å; I313-K315 PolarHBondContact O-N 3.02Å; I313-N316 CarbonylContact O-C 3.53Å; I313-N316 PolarHBondContact O-N 3.04Å; I313-L317 WeakPolarHBondContact O-CA 3.35Å; I313-L317 WeakPolarHBondContact O-CB 3.33Å; I313-L317 PolarHBondContact O-N 2.95Å
314G67.9Low72Confident54 Ų5481.5 Ų81.556%0.55745%0.449SS*.Hα-helixtrans-59-41.6177.200000113D310 E312D310-G314 PolarHBondContact O-N 2.8Å; E312-G314 VanDerWaalsContact C-N 3.33Å; E312-G314 PolarHBondContact O-N 3.05Å
315K69.7Low74.4Confident180 Ų18073.1 Ų73.178%0.78341%0.41SS*.Hα-helixtrans-69.2-33.6177.7-73.3177.8-179.1179.60113.2N311 E312 I313N311-K315 WeakPolarHBondContact O-CG 3.49Å; N311-K315 PolarHBondContact O-N 2.89Å; E312-K315 PolarHBondContact O-N 3.17Å; I313-K315 VanDerWaalsContact C-N 3.32Å; I313-K315 PolarHBondContact O-N 3.02Å
316N84.6Confident76.9Confident82 Ų8275 Ų7544%0.43941%0.407SS..Hα-helixtrans-97.53-178-69.6-25.4000113.7E312 I313 E318 A319 I320E312-N316 WeakPolarHBondContact O-CB 3.2Å; E312-N316 PolarHBondContact O-N 3.43Å; I313-N316 CarbonylContact O-C 3.53Å; I313-N316 PolarHBondContact O-N 3.04Å; N316-E318 VanDerWaalsContact C-N 3.32Å; N316-E318 PolarHBondContact O-N 2.72Å; N316-A319 PolarHBondContact O-N 2.71Å; N316-A319 VanDerWaalsContact O-N 3.15Å; N316-I320 HydrophobicContact CB-CD1 4.21Å; N316-I320 WeakPolarHBondContact O-CG1 3.25Å; N316-I320 PolarHBondContact O-N 3.02Å
317L88.2Confident79.2Confident34 Ų3473.4 Ų73.418%0.17839%0.39CS..Hα-helixtrans-56-45.9-172.5-178.361000111.6L293 L298 I313 A319 I320 Q321L293-L317 HydrophobicContact CB-CD2 4.24Å; L298-L317 HydrophobicContact CD2-CD1 3.67Å; I313-L317 WeakPolarHBondContact O-CA 3.35Å; I313-L317 WeakPolarHBondContact O-CB 3.33Å; I313-L317 PolarHBondContact O-N 2.95Å; L317-A319 VanDerWaalsContact C-N 3.35Å; L317-A319 PolarHBondContact O-N 3.32Å; L317-I320 WeakPolarHBondContact O-CB 3.29Å; L317-I320 PolarHBondContact O-N 3.41Å; L317-Q321 HydrophobicContact CD1-CG 4.02Å; L317-Q321 HydrophobicContact CG-CG 4.14Å; L317-Q321 WeakPolarHBondContact O-CG 3.44Å; L317-Q321 PolarHBondContact O-N 3.47Å
318E89.7Confident81.5Confident146 Ų14667.4 Ų67.468%0.68236%0.357SS*.Hα-helixtrans-59.2-44-179.7-66.7-178.1175.700112.5N316 Q321 A322N316-E318 VanDerWaalsContact C-N 3.32Å; N316-E318 PolarHBondContact O-N 2.72Å; E318-Q321 PolarHBondContact O-N 3.4Å; E318-A322 WeakPolarHBondContact O-CB 3.48Å; E318-A322 PolarHBondContact O-N 2.84Å
319A90.9Very high83.6Confident55 Ų5564.3 Ų64.346%0.45534%0.341SS..Hα-helixtrans-64.8-41.5177.200000111.8N316 L317 A322 N323N316-A319 PolarHBondContact O-N 2.71Å; N316-A319 VanDerWaalsContact O-N 3.15Å; L317-A319 VanDerWaalsContact C-N 3.35Å; L317-A319 PolarHBondContact O-N 3.32Å; A319-A322 PolarHBondContact O-N 3.44Å; A319-N323 WeakPolarHBondContact O-CB 3.35Å; A319-N323 PolarHBondContact O-N 3.09Å; A319-N323 PolarHBondContact O-ND2 2.9Å
320I91.3Very high85.6Confident34 Ų3464.9 Ų64.917%0.17434%0.338CS..Hα-helixtrans-61.1-46174.9-69.1167.3000110.6Y278 L298 I302 N316 L317 N323 I324Y278-I320 HydrophobicContact CD2-CG2 3.95Å; Y278-I320 HydrophobicContact CE2-CG2 3.89Å; L298-I320 HydrophobicContact CD1-CD1 4.32Å; L298-I320 HydrophobicContact CD1-CG2 3.45Å; L298-I320 VanDerWaalsContact CD1-CG2 3.45Å; L298-I320 HydrophobicContact CD2-CD1 4.26Å; L298-I320 HydrophobicContact CD2-CG2 4.27Å; I302-I320 HydrophobicContact CD1-CD1 4.25Å; N316-I320 HydrophobicContact CB-CD1 4.21Å; N316-I320 WeakPolarHBondContact O-CG1 3.25Å; N316-I320 PolarHBondContact O-N 3.02Å; L317-I320 WeakPolarHBondContact O-CB 3.29Å; L317-I320 PolarHBondContact O-N 3.41Å; I320-N323 PolarHBondContact O-N 3.12Å; I320-I324 PolarHBondContact O-N 2.91Å
321Q94.3Very high87.2Confident7 Ų759.4 Ų59.43%0.03331%0.31CS..Hα-helixtrans-64-41.4179-63.4-66.921.300111.6I277 Y278 L317 E318 N323 I324 A325 A363I277-Q321 VanDerWaalsContact CB-OE1 3.25Å; I277-Q321 HydrophobicContact CG2-CB 4.45Å; Y278-Q321 PolarHBondContact O-NE2 3.24Å; L317-Q321 HydrophobicContact CD1-CG 4.02Å; L317-Q321 HydrophobicContact CG-CG 4.14Å; L317-Q321 WeakPolarHBondContact O-CG 3.44Å; L317-Q321 PolarHBondContact O-N 3.47Å; E318-Q321 PolarHBondContact O-N 3.4Å; Q321-N323 VanDerWaalsContact C-N 3.33Å; Q321-N323 PolarHBondContact O-N 3.23Å; Q321-I324 WeakPolarHBondContact O-CG2 3.37Å; Q321-A325 VanDerWaalsContact O-CB 3.28Å; Q321-A325 WeakPolarHBondContact O-CB 3.44Å; Q321-A325 PolarHBondContact O-N 2.88Å; Q321-A363 HydrophobicContact CB-CB 4.07Å
322A94.7Very high89.1Confident10 Ų1053.5 Ų53.58%0.08328%0.279CS..Hα-helixtrans-63.6-39175.300000112E318 A319 R326 A363 P366E318-A322 WeakPolarHBondContact O-CB 3.48Å; E318-A322 PolarHBondContact O-N 2.84Å; A319-A322 PolarHBondContact O-N 3.44Å; A322-R326 WeakPolarHBondContact O-CB 3.34Å; A322-R326 PolarHBondContact O-N 2.75Å; A322-A363 WeakPolarHBondContact CA-O 3.46Å; A322-P366 HydrophobicContact CB-CG 4.32Å
323N95.1Very high90.8Very high92 Ų9250.5 Ų50.549%0.49227%0.265SS..Hα-helixtrans-65.8-47.4178.4-72.8-14.9000112.4A319 I320 Q321 A325 R326 Q327A319-N323 WeakPolarHBondContact O-CB 3.35Å; A319-N323 PolarHBondContact O-N 3.09Å; A319-N323 PolarHBondContact O-ND2 2.9Å; I320-N323 PolarHBondContact O-N 3.12Å; Q321-N323 VanDerWaalsContact C-N 3.33Å; Q321-N323 PolarHBondContact O-N 3.23Å; N323-A325 VanDerWaalsContact C-N 3.35Å; N323-R326 WeakPolarHBondContact O-CB 3.26Å; N323-R326 PolarHBondContact O-N 2.75Å; N323-R326 PolarHBondContact OD1-NH1 3.27Å; N323-Q327 PolarHBondContact O-N 2.73Å
324I94.9Very high92.3Very high5 Ų555.2 Ų55.23%0.02628%0.282CS..Hα-helixtrans-69.1-34.5179.1-165.159.4000112I243 Y278 I320 Q321 Q327 H328I243-I324 HydrophobicContact CD1-CG1 3.81Å; I243-I324 HydrophobicContact CG1-CG1 4.13Å; I243-I324 HydrophobicContact CG2-CG1 3.68Å; I243-I324 HydrophobicContact CG2-CG2 4.1Å; Y278-I324 HydrophobicContact CD2-CB 4.45Å; Y278-I324 HydrophobicContact CD2-CG2 3.88Å; Y278-I324 HydrophobicContact CE1-CG1 4.42Å; Y278-I324 HydrophobicContact CE2-CB 3.74Å; Y278-I324 HydrophobicContact CE2-CG1 3.92Å; Y278-I324 HydrophobicContact CE2-CG2 3.67Å; I320-I324 PolarHBondContact O-N 2.91Å; Q321-I324 WeakPolarHBondContact O-CG2 3.37Å; I324-Q327 HydrophobicContact CD1-CB 4.5Å; I324-Q327 PolarHBondContact O-N 3.41Å; I324-H328 WeakPolarHBondContact O-CB 3.44Å; I324-H328 PolarHBondContact O-N 3.23Å
325A96.9Very high93.6Very high0 Ų057.2 Ų57.20%028%0.28CS..Hα-helixtrans-62.3-44.1172.400000111Q321 N323 H328 F329 A363Q321-A325 VanDerWaalsContact O-CB 3.28Å; Q321-A325 WeakPolarHBondContact O-CB 3.44Å; Q321-A325 PolarHBondContact O-N 2.88Å; N323-A325 VanDerWaalsContact C-N 3.35Å; A325-H328 WeakPolarHBondContact O-CB 3.5Å; A325-H328 PolarHBondContact O-N 2.9Å; A325-F329 WeakPolarHBondContact O-CD2 3.48Å; A325-F329 PolarHBondContact O-N 2.94Å; A325-A363 HydrophobicContact CB-CB 4.1Å
326R97.4Very high94.8Very high102 Ų10251.9 Ų51.939%0.38526%0.256SS..Hα-helixtrans-59.2-47.4175.4-172.2-178.1-611021.3112A322 N323 H328 F329 H330 L367A322-R326 WeakPolarHBondContact O-CB 3.34Å; A322-R326 PolarHBondContact O-N 2.75Å; N323-R326 WeakPolarHBondContact O-CB 3.26Å; N323-R326 PolarHBondContact O-N 2.75Å; N323-R326 PolarHBondContact OD1-NH1 3.27Å; R326-H328 VanDerWaalsContact C-N 3.34Å; R326-H328 PolarHBondContact O-N 3.11Å; R326-F329 PolarHBondContact O-N 3.1Å; R326-H330 VanDerWaalsContact O-CB 3.32Å; R326-H330 WeakPolarHBondContact O-CB 3.5Å; R326-H330 PolarHBondContact O-N 3.19Å; R326-L367 HydrophobicContact CB-CD2 3.65Å; R326-L367 HydrophobicContact CG-CD2 3.81Å
327Q97.1Very high95.4Very high84 Ų8450.2 Ų50.239%0.39326%0.258SS..Hα-helixtrans-58.3-47176.5179-180-19.900111.4G245 E246 N323 I324 F329 H330 S331G245-Q327 PolarHBondContact O-NE2 2.89Å; E246-Q327 PolarHBondContact O-NE2 3.2Å; N323-Q327 PolarHBondContact O-N 2.73Å; I324-Q327 HydrophobicContact CD1-CB 4.5Å; I324-Q327 PolarHBondContact O-N 3.41Å; Q327-F329 PolarHBondContact O-N 2.64Å; Q327-H330 PolarHBondContact O-N 3.29Å; Q327-S331 PolarHBondContact O-N 3.22Å; Q327-S331 PolarHBondContact O-OG 2.92Å
328H97.7Very high95.8Very high10 Ų1049.3 Ų49.35%0.04625%0.252CS..Hα-helixtrans-56.2-50.8177.3179.266.7000112.6I243 G247 C249 P276 I324 A325 R326 S331 L332 R427I243-H328 HydrophobicContact CD1-CB 3.75Å; G247-H328 PolarHBondContact O-ND1 2.97Å; C249-H328 PolarHBondContact SG-CE1 3.04Å; P276-H328 HydrophobicContact CB-CB 4.21Å; P276-H328 WeakPolarHBondContact CB-CD2 3.42Å; I324-H328 WeakPolarHBondContact O-CB 3.44Å; I324-H328 PolarHBondContact O-N 3.23Å; A325-H328 WeakPolarHBondContact O-CB 3.5Å; A325-H328 PolarHBondContact O-N 2.9Å; R326-H328 VanDerWaalsContact C-N 3.34Å; R326-H328 PolarHBondContact O-N 3.11Å; H328-S331 PolarHBondContact O-N 3.32Å; H328-L332 WeakPolarHBondContact NE2-CD1 3.13Å; H328-L332 WeakPolarHBondContact O-CG 3.45Å; H328-L332 PolarHBondContact O-N 2.83Å; H328-R427 PolarHBondContact NE2-NE 3.07Å; H328-R427 PolarHBondContact NE2-NH2 3.34Å
329F98.4Very high96.2Very high3 Ų343.3 Ų43.31%0.01323%0.229CC..Hα-helixtrans-70.3-36-178-74.5-65.8000112.3P276 A325 R326 Q327 S331 L332 I333 Q341 I343 Y360 V364 L367 V372P276-F329 HydrophobicContact CG-CE2 3.98Å; P276-F329 HydrophobicContact CG-CZ 4.07Å; A325-F329 WeakPolarHBondContact O-CD2 3.48Å; A325-F329 PolarHBondContact O-N 2.94Å; R326-F329 PolarHBondContact O-N 3.1Å; Q327-F329 PolarHBondContact O-N 2.64Å; F329-S331 VanDerWaalsContact C-N 3.33Å; F329-S331 PolarHBondContact O-N 3.37Å; F329-L332 HydrophobicContact CD1-CD1 4.21Å; F329-L332 HydrophobicContact CE1-CD1 4.36Å; F329-L332 PolarHBondContact O-N 3.23Å; F329-I333 HydrophobicContact CB-CD1 4.44Å; F329-I333 WeakPolarHBondContact O-CB 3.27Å; F329-I333 WeakPolarHBondContact O-CD1 3.44Å; F329-I333 WeakPolarHBondContact O-CG1 3.44Å; F329-I333 PolarHBondContact O-N 2.98Å; F329-Q341 HydrophobicContact CD1-CB 3.96Å; F329-Q341 HydrophobicContact CD1-CG 3.95Å; F329-Q341 HydrophobicContact CE1-CB 4.16Å; F329-Q341 HydrophobicContact CE1-CG 4.45Å; F329-I343 HydrophobicContact CE1-CD1 3.85Å; F329-I343 HydrophobicContact CE1-CG1 3.79Å; F329-I343 HydrophobicContact CE2-CD1 3.84Å; F329-I343 HydrophobicContact CZ-CD1 3.28Å; F329-I343 HydrophobicContact CZ-CG1 3.62Å; F329-Y360 HydrophobicContact CE2-CE2 4.43Å; F329-V364 HydrophobicContact CE2-CG1 3.9Å; F329-L367 HydrophobicContact CB-CD1 4.45Å; F329-L367 HydrophobicContact CD2-CD1 3.46Å; F329-L367 VanDerWaalsContact CD2-CD1 3.46Å; F329-L367 HydrophobicContact CE2-CD1 4.08Å; F329-L367 HydrophobicContact CG-CD1 4.18Å; F329-V372 HydrophobicContact CB-CG2 4.03Å; F329-V372 HydrophobicContact CD1-CG1 4.5Å; F329-V372 HydrophobicContact CD1-CG2 4.26Å; F329-V372 HydrophobicContact CG-CG2 4.07Å
330H97.9Very high96.5Very high94 Ų9442.4 Ų42.444%0.43521%0.214SC..Hα-helixtrans-55.4-49.4170.9179.7-80.8000110.9R326 Q327 L332 I333 Y334 D335R326-H330 VanDerWaalsContact O-CB 3.32Å; R326-H330 WeakPolarHBondContact O-CB 3.5Å; R326-H330 PolarHBondContact O-N 3.19Å; Q327-H330 PolarHBondContact O-N 3.29Å; H330-L332 PolarHBondContact O-N 3.35Å; H330-I333 PolarHBondContact O-N 3.15Å; H330-Y334 AromaticContact CD2-CD2 3.51Å; H330-Y334 AromaticContact CD2-CE2 3.96Å; H330-Y334 AromaticContact CG-CD2 3.92Å; H330-Y334 AromaticContact NE2-CD2 3.71Å; H330-Y334 WeakPolarHBondContact O-CD2 3.37Å; H330-Y334 PolarHBondContact O-N 3.03Å; H330-D335 IonicContact CE1-OD1 3.51Å; H330-D335 IonicContact ND1-OD1 3.51Å; H330-D335 IonicContact ND1-OD2 3.75Å
331S97.8Very high96.9Very high21 Ų2140.8 Ų40.815%0.14721%0.206CC..Iπ-helixtrans-65-38.3178.8-64.50000113.3Q327 H328 F329 D335 Y336Q327-S331 PolarHBondContact O-N 3.22Å; Q327-S331 PolarHBondContact O-OG 2.92Å; H328-S331 PolarHBondContact O-N 3.32Å; F329-S331 VanDerWaalsContact C-N 3.33Å; F329-S331 PolarHBondContact O-N 3.37Å; S331-D335 WeakPolarHBondContact CA-OD2 3.4Å; S331-D335 WeakPolarHBondContact CB-OD2 3.17Å; S331-D335 WeakPolarHBondContact O-CB 3.44Å; S331-D335 PolarHBondContact O-N 3.19Å; S331-D335 PolarHBondContact OG-OD2 2.91Å; S331-Y336 WeakPolarHBondContact O-CB 3.23Å; S331-Y336 WeakPolarHBondContact O-CD2 3.46Å; S331-Y336 PolarHBondContact O-N 2.55Å
332L98Very high97.1Very high11 Ų1140.5 Ų40.56%0.05820%0.204CC..Iπ-helixtrans-61.8-46.5173.6-68.9-174.4000112.1L271 H328 F329 H330 Y336 Y338 Q341L271-L332 HydrophobicContact CD1-CD1 4.06Å; L271-L332 HydrophobicContact CD1-CD2 3.87Å; H328-L332 WeakPolarHBondContact NE2-CD1 3.13Å; H328-L332 WeakPolarHBondContact O-CG 3.45Å; H328-L332 PolarHBondContact O-N 2.83Å; F329-L332 HydrophobicContact CD1-CD1 4.21Å; F329-L332 HydrophobicContact CE1-CD1 4.36Å; F329-L332 PolarHBondContact O-N 3.23Å; H330-L332 PolarHBondContact O-N 3.35Å; L332-Y336 HydrophobicContact CD2-CD2 4.14Å; L332-Y338 HydrophobicContact CB-CD2 4.25Å; L332-Y338 HydrophobicContact CD2-CD2 3.87Å; L332-Y338 HydrophobicContact CD2-CE2 3.92Å; L332-Y338 VanDerWaalsContact O-CB 3.32Å; L332-Y338 WeakPolarHBondContact O-CB 3.15Å; L332-Y338 WeakPolarHBondContact O-CD2 3.32Å; L332-Y338 PolarHBondContact O-N 2.89Å; L332-Q341 HydrophobicContact CB-CG 4.26Å; L332-Q341 HydrophobicContact CD1-CG 4.46Å
333I98.1Very high97.2Very high16 Ų1640 Ų408%0.08220%0.2CC..Iπ-helixtrans-71.1-52.3-174-64.7160.2000110.6F329 H330 G337 G339 Q341 E371 V372F329-I333 HydrophobicContact CB-CD1 4.44Å; F329-I333 WeakPolarHBondContact O-CB 3.27Å; F329-I333 WeakPolarHBondContact O-CD1 3.44Å; F329-I333 WeakPolarHBondContact O-CG1 3.44Å; F329-I333 PolarHBondContact O-N 2.98Å; H330-I333 PolarHBondContact O-N 3.15Å; I333-G337 WeakPolarHBondContact O-CA 3.31Å; I333-G339 VanDerWaalsContact CG1-O 3.31Å; I333-G339 WeakPolarHBondContact CG1-O 3.47Å; I333-G339 PolarHBondContact O-N 3.15Å; I333-Q341 HydrophobicContact CD1-CG 4.46Å; I333-Q341 HydrophobicContact CG1-CG 3.84Å; I333-E371 HydrophobicContact CD1-CB 3.91Å; I333-V372 HydrophobicContact CD1-CG2 4.1Å
334Y97Very high97.3Very high119 Ų11935.6 Ų35.647%0.46718%0.177SC..Iπ-helixtrans-102.3-52.5-166-58.9-69.3000113H330 Y336 E371H330-Y334 AromaticContact CD2-CD2 3.51Å; H330-Y334 AromaticContact CD2-CE2 3.96Å; H330-Y334 AromaticContact CG-CD2 3.92Å; H330-Y334 AromaticContact NE2-CD2 3.71Å; H330-Y334 WeakPolarHBondContact O-CD2 3.37Å; H330-Y334 PolarHBondContact O-N 3.03Å; Y334-Y336 VanDerWaalsContact C-N 3.34Å; Y334-Y336 PolarHBondContact O-N 3.33Å; Y334-E371 PolarHBondContact OH-OE1 2.82Å; Y334-E371 PolarHBondContact OH-OE2 2.73Å
335D96.2Very high97.3Very high97 Ų9735.6 Ų35.652%0.51918%0.177SC..Iπ-helixtrans-69.2-38.2-174.2-53.4-22000111H330 S331H330-D335 IonicContact CE1-OD1 3.51Å; H330-D335 IonicContact ND1-OD1 3.51Å; H330-D335 IonicContact ND1-OD2 3.75Å; S331-D335 WeakPolarHBondContact CA-OD2 3.4Å; S331-D335 WeakPolarHBondContact CB-OD2 3.17Å; S331-D335 WeakPolarHBondContact O-CB 3.44Å; S331-D335 PolarHBondContact O-N 3.19Å; S331-D335 PolarHBondContact OG-OD2 2.91Å
336Y95.7Very high97.1Very high68 Ų6835.6 Ų35.627%0.26718%0.177SC..SBendtrans-102.7-7.1-176.8-60.1-38.6000114.6R161 S331 L332 Y334 Y338R161-Y336 VanDerWaalsContact CD-CE1 3.44Å; R161-Y336 VanDerWaalsContact NH1-CB 3.27Å; S331-Y336 WeakPolarHBondContact O-CB 3.23Å; S331-Y336 WeakPolarHBondContact O-CD2 3.46Å; S331-Y336 PolarHBondContact O-N 2.55Å; L332-Y336 HydrophobicContact CD2-CD2 4.14Å; Y334-Y336 VanDerWaalsContact C-N 3.34Å; Y334-Y336 PolarHBondContact O-N 3.33Å; Y336-Y338 VanDerWaalsContact C-N 3.34Å; Y336-Y338 HydrophobicContact CD2-CE2 4.32Å; Y336-Y338 HydrophobicContact CG-CE2 4.26Å; Y336-Y338 PolarHBondContact O-N 3.26Å
337G95.9Very high96.8Very high47 Ų4731 Ų3149%0.48516%0.16SC..  trans66.627.9173.200000115I333 G339I333-G337 WeakPolarHBondContact O-CA 3.31Å; G337-G339 PolarHBondContact O-N 2.77Å
338Y97.7Very high96.2Very high15 Ų1528.4 Ų28.46%0.05915%0.149CC..  trans-76.1-11.2174.1-64.4-68.1000112.8R161 E254 V269 L271 L332 Y336 Q341 G424 T425R161-Y338 PolarHBondContact NH1-OH 3.46Å; E254-Y338 HydrophobicContact CG-CE1 4.13Å; E254-Y338 WeakPolarHBondContact OE2-CE1 3.5Å; E254-Y338 PolarHBondContact OE2-OH 3.19Å; V269-Y338 HydrophobicContact CG1-CD1 4.33Å; V269-Y338 HydrophobicContact CG1-CE1 4.15Å; L271-Y338 HydrophobicContact CD1-CD1 4.18Å; L271-Y338 HydrophobicContact CD1-CD2 3.76Å; L271-Y338 HydrophobicContact CD1-CE1 4.34Å; L271-Y338 HydrophobicContact CD1-CE2 3.93Å; L271-Y338 HydrophobicContact CD1-CG 3.89Å; L271-Y338 HydrophobicContact CD2-CD1 4.27Å; L271-Y338 HydrophobicContact CD2-CE1 3.74Å; L271-Y338 HydrophobicContact CD2-CE2 4.21Å; L271-Y338 HydrophobicContact CG-CD1 4.44Å; L271-Y338 HydrophobicContact CG-CE1 4.38Å; L332-Y338 HydrophobicContact CB-CD2 4.25Å; L332-Y338 HydrophobicContact CD2-CD2 3.87Å; L332-Y338 HydrophobicContact CD2-CE2 3.92Å; L332-Y338 VanDerWaalsContact O-CB 3.32Å; L332-Y338 WeakPolarHBondContact O-CB 3.15Å; L332-Y338 WeakPolarHBondContact O-CD2 3.32Å; L332-Y338 PolarHBondContact O-N 2.89Å; Y336-Y338 VanDerWaalsContact C-N 3.34Å; Y336-Y338 HydrophobicContact CD2-CE2 4.32Å; Y336-Y338 HydrophobicContact CG-CE2 4.26Å; Y336-Y338 PolarHBondContact O-N 3.26Å; Y338-Q341 VanDerWaalsContact CB-NE2 3.3Å; Y338-G424 WeakPolarHBondContact O-CA 3.38Å; Y338-T425 HydrophobicContact CD1-CG2 4.1Å
339G97.4Very high95.4Very high19 Ų1931.4 Ų31.420%0.19616%0.163CC..  trans67.5-155.9-177.600000112.1I333 G337 Q341I333-G339 VanDerWaalsContact CG1-O 3.31Å; I333-G339 WeakPolarHBondContact CG1-O 3.47Å; I333-G339 PolarHBondContact O-N 3.15Å; G337-G339 PolarHBondContact O-N 2.77Å; G339-Q341 PolarHBondContact O-N 2.75Å; G339-Q341 PolarHBondContact O-NE2 3.22Å
340R97.9Very high94.5Very high37 Ų3738.8 Ų38.814%0.1420%0.195CC..EExtended strand (participates in β ladder)trans-55.7137.6-174.1-167.6-175.3179.1-113.512.2112E369 K370 E371 E401 T423 G424 T425R340-E369 PolarHBondContact NH2-O 3.12Å; R340-K370 WeakPolarHBondContact CD-O 3.42Å; R340-K370 WeakPolarHBondContact CG-O 3.45Å; R340-K370 PolarHBondContact NE-O 3.28Å; R340-E371 WeakPolarHBondContact CA-O 3.5Å; R340-E371 WeakPolarHBondContact CG-O 3.42Å; R340-E401 IonicContact CZ-OE2 3.8Å; R340-E401 IonicContact NH1-OE1 3.67Å; R340-E401 IonicContact NH1-OE2 3.23Å; R340-E401 PolarHBondContact NH1-OE2 2.83Å; R340-T423 PolarHBondContact N-O 2.87Å; R340-G424 CarbonylContact O-C 3.56Å; R340-G424 WeakPolarHBondContact O-CA 3.48Å; R340-T425 PolarHBondContact O-N 3.17Å
341Q98.4Very high93.6Very high0 Ų037.3 Ų37.30%021%0.205CC..EExtended strand (participates in β ladder)trans-103.8122.5-177.2-61.9-60.6-50.500111.8F329 L332 I333 Y338 G339 E371 V372 K373 T425F329-Q341 HydrophobicContact CD1-CB 3.96Å; F329-Q341 HydrophobicContact CD1-CG 3.95Å; F329-Q341 HydrophobicContact CE1-CB 4.16Å; F329-Q341 HydrophobicContact CE1-CG 4.45Å; L332-Q341 HydrophobicContact CB-CG 4.26Å; L332-Q341 HydrophobicContact CD1-CG 4.46Å; I333-Q341 HydrophobicContact CD1-CG 4.46Å; I333-Q341 HydrophobicContact CG1-CG 3.84Å; Y338-Q341 VanDerWaalsContact CB-NE2 3.3Å; G339-Q341 PolarHBondContact O-N 2.75Å; G339-Q341 PolarHBondContact O-NE2 3.22Å; Q341-E371 PolarHBondContact N-O 3.44Å; Q341-V372 HydrophobicContact CB-CG2 4.48Å; Q341-V372 CarbonylContact O-C 3.51Å; Q341-V372 WeakPolarHBondContact O-CA 3.33Å; Q341-K373 PolarHBondContact O-N 3.22Å; Q341-T425 PolarHBondContact NE2-OG1 2.93Å; Q341-T425 PolarHBondContact OE1-OG1 2.69Å; Q341-T425 VanDerWaalsContact OE1-OG1 3.07Å
342T98.2Very high92.7Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-103.2105167.5-580000108.8K373 L398 E401 T425 F426 R427T342-K373 HydrophobicContact CG2-CB 4.42Å; T342-K373 HydrophobicContact CG2-CD 4.43Å; T342-L398 HydrophobicContact CG2-CD2 4.14Å; T342-E401 HydrophobicContact CG2-CB 4.47Å; T342-E401 HydrophobicContact CG2-CG 4.33Å; T342-T425 PolarHBondContact N-O 2.82Å; T342-F426 HydrophobicContact CG2-CD1 3.67Å; T342-F426 HydrophobicContact CG2-CE1 3.69Å; T342-F426 CarbonylContact O-C 3.09Å; T342-F426 WeakPolarHBondContact O-CA 3.45Å; T342-R427 PolarHBondContact O-N 3.06Å
343I98Very high92.2Very high0 Ų041.8 Ų41.80%023%0.225CC..EExtended strand (participates in β ladder)trans-77.1130.9179.2-57.4164.1000109.2F329 Y360 V364 V372 K373 Y374 E375 R427F329-I343 HydrophobicContact CE1-CD1 3.85Å; F329-I343 HydrophobicContact CE1-CG1 3.79Å; F329-I343 HydrophobicContact CE2-CD1 3.84Å; F329-I343 HydrophobicContact CZ-CD1 3.28Å; F329-I343 HydrophobicContact CZ-CG1 3.62Å; I343-Y360 HydrophobicContact CG2-CE1 3.75Å; I343-Y360 WeakPolarHBondContact CG2-OH 3.5Å; I343-V364 HydrophobicContact CD1-CB 4.42Å; I343-V364 HydrophobicContact CD1-CG1 3.95Å; I343-V372 HydrophobicContact CD1-CG1 3.42Å; I343-V372 VanDerWaalsContact CD1-CG1 3.42Å; I343-V372 HydrophobicContact CG1-CG1 4.06Å; I343-K373 WeakPolarHBondContact CB-O 3.39Å; I343-K373 PolarHBondContact N-O 2.84Å; I343-Y374 HydrophobicContact CB-CD2 4.09Å; I343-Y374 HydrophobicContact CD1-CD2 4.07Å; I343-Y374 HydrophobicContact CG2-CD2 3.76Å; I343-Y374 HydrophobicContact CG2-CE2 4.13Å; I343-E375 WeakPolarHBondContact O-CB 3.41Å; I343-E375 PolarHBondContact O-N 2.67Å; I343-R427 WeakPolarHBondContact CA-O 3.24Å
344I96.8Very high91.7Very high0 Ų048.7 Ų48.70%025%0.25CC..EExtended strand (participates in β ladder)trans-117.197.9171.2-49.8169.7000108.1L346 E375 L394 L398 F426 R427 S428 N429 V440 L444I344-L346 HydrophobicContact CG2-CD2 3.68Å; I344-L346 HydrophobicContact CG2-CG 4.04Å; I344-E375 WeakPolarHBondContact CA-O 3.41Å; I344-L394 HydrophobicContact CG2-CD2 4.45Å; I344-L398 HydrophobicContact CD1-CD1 3.62Å; I344-L398 HydrophobicContact CD1-CD2 4.16Å; I344-L398 HydrophobicContact CG1-CD1 4.19Å; I344-L398 HydrophobicContact CG1-CD2 4Å; I344-F426 HydrophobicContact CD1-CB 4.09Å; I344-F426 HydrophobicContact CD1-CD1 3.77Å; I344-F426 HydrophobicContact CD1-CG 4.28Å; I344-F426 HydrophobicContact CG1-CD1 4.25Å; I344-R427 PolarHBondContact N-O 2.78Å; I344-S428 WeakPolarHBondContact O-CA 3.47Å; I344-N429 PolarHBondContact O-N 2.89Å; I344-N429 PolarHBondContact O-OD1 2.95Å; I344-V440 HydrophobicContact CD1-CG1 3.93Å; I344-V440 HydrophobicContact CG2-CG1 4.36Å; I344-L444 HydrophobicContact CD1-CD1 3.7Å
345N95.3Very high91.4Very high5 Ų548.3 Ų48.33%0.02726%0.256CS..EExtended strand (participates in β ladder)trans-90.4108.6179.4-176.923.9000111L347 Y360 Y374 E375 F377 N429N345-L347 WeakPolarHBondContact OD1-CB 3.49Å; N345-L347 WeakPolarHBondContact OD1-CD1 3.5Å; N345-L347 WeakPolarHBondContact OD1-CG 3.23Å; N345-L347 PolarHBondContact OD1-N 3.5Å; N345-Y360 HydrophobicContact CB-CD1 4.35Å; N345-Y360 HydrophobicContact CB-CE1 4.26Å; N345-Y374 HydrophobicContact CB-CE2 3.8Å; N345-Y374 PolarHBondContact ND2-OH 3.48Å; N345-E375 PolarHBondContact N-O 2.84Å; N345-F377 PolarHBondContact O-N 2.82Å; N345-N429 PolarHBondContact OD1-ND2 3.19Å
346L93.3Very high91.3Very high0 Ų043.7 Ų43.70%023%0.231CC..  trans-101.923.2-176.8-54.3174.6000113.2I344 F377 F379 L394 N429 C430 R436 T437 V440I344-L346 HydrophobicContact CG2-CD2 3.68Å; I344-L346 HydrophobicContact CG2-CG 4.04Å; L346-F377 WeakPolarHBondContact CA-O 3.42Å; L346-F377 HydrophobicContact CD2-CB 4.18Å; L346-F377 HydrophobicContact CD2-CD1 4.34Å; L346-F379 HydrophobicContact CD2-CD2 4.43Å; L346-L394 HydrophobicContact CD2-CD2 4.34Å; L346-N429 WeakPolarHBondContact CB-O 3.42Å; L346-N429 PolarHBondContact N-O 3.16Å; L346-C430 HydrophobicContact CB-CB 4.06Å; L346-R436 HydrophobicContact CB-CB 4.28Å; L346-R436 HydrophobicContact CD1-CB 3.89Å; L346-R436 WeakPolarHBondContact CD1-O 3.4Å; L346-R436 PolarHBondContact O-NH1 2.81Å; L346-T437 HydrophobicContact CD1-CG2 4.21Å; L346-V440 HydrophobicContact CD1-CB 4.3Å; L346-V440 HydrophobicContact CD1-CG2 3.74Å; L346-V440 HydrophobicContact CD2-CG2 4.12Å
347L90.6Very high91.2Very high5 Ų541 Ų413%0.02622%0.224CC..  trans-69.9150.1174.5-72.7174.4000111.6V275 N345 E353 L356 I431V275-L347 HydrophobicContact CG2-CD1 3.92Å; N345-L347 WeakPolarHBondContact OD1-CB 3.49Å; N345-L347 WeakPolarHBondContact OD1-CD1 3.5Å; N345-L347 WeakPolarHBondContact OD1-CG 3.23Å; N345-L347 PolarHBondContact OD1-N 3.5Å; L347-E353 WeakPolarHBondContact CA-OE2 3.36Å; L347-E353 HydrophobicContact CB-CB 4.41Å; L347-E353 HydrophobicContact CD2-CB 4.27Å; L347-E353 HydrophobicContact CD2-CG 4.33Å; L347-E353 WeakPolarHBondContact CD2-OE2 3.27Å; L347-L356 HydrophobicContact CD1-CB 4.34Å; L347-L356 HydrophobicContact CD1-CD2 3.99Å; L347-L356 HydrophobicContact CD1-CG 3.95Å; L347-L356 HydrophobicContact CD2-CD2 4.28Å; L347-I431 HydrophobicContact CD2-CB 3.89Å; L347-I431 HydrophobicContact CD2-CD1 4.16Å
348D84Confident91.1Very high30 Ų3044.2 Ų44.216%0.1623%0.227CC..  trans-69.9133.5174.3-65.2-10.1000110.2K350 E353 R354 H380 R436D348-K350 PolarHBondContact O-N 3.22Å; D348-E353 HydrophobicContact CB-CB 4.09Å; D348-E353 HydrophobicContact CB-CG 4.43Å; D348-E353 PolarHBondContact N-OE2 2.9Å; D348-E353 CarbonylContact O-C 3.37Å; D348-E353 WeakPolarHBondContact O-CB 3.34Å; D348-R354 PolarHBondContact O-N 3.24Å; D348-H380 IonicContact OD1-CD2 3.27Å; D348-H380 PolarHBondContact OD1-CD2 3.22Å; D348-H380 IonicContact OD1-CG 2.93Å; D348-H380 IonicContact OD2-CD2 2.68Å; D348-H380 PolarHBondContact OD2-CD2 3.13Å; D348-H380 VanDerWaalsContact OD2-CD2 3.23Å; D348-R436 IonicContact OD1-CZ 3.45Å; D348-R436 IonicContact OD1-NH1 3.38Å; D348-R436 PolarHBondContact OD1-NH1 3.33Å; D348-R436 IonicContact OD1-NH2 3.4Å; D348-R436 PolarHBondContact OD1-NH2 3.23Å; D348-R436 IonicContact OD2-NH2 3.97Å; D348-R436 PolarHBondContact OD2-NH2 3.42Å
349Q80.6Confident90.9Very high73 Ų7344.3 Ų44.334%0.34123%0.23SC..SBendtrans-82.35.8177.2-61.2178.3-8.300112.2R354 D378Q349-R354 WeakPolarHBondContact O-CG 3.38Å; Q349-D378 HydrophobicContact CB-CB 4.37Å; Q349-D378 WeakPolarHBondContact CB-OD2 3.5Å; Q349-D378 HydrophobicContact CG-CB 3.84Å; Q349-D378 PolarHBondContact N-OD2 3.43Å; Q349-D378 VanDerWaalsContact N-OD2 3.15Å
350K78.9Confident90.8Very high157 Ų15743.4 Ų43.468%0.68322%0.221SC*.SBendtrans-125.6160.2176.9-66.5-173.9179.5-177.20111.1D348D348-K350 PolarHBondContact O-N 3.22Å
351G80.5Confident90.7Very high64 Ų6442.8 Ų42.866%0.6622%0.224SC*.THydrogen-bonded Turntrans66.8-148176.600000113.2E353 R354G351-E353 VanDerWaalsContact C-N 3.26Å; G351-E353 PolarHBondContact O-N 3.01Å; G351-R354 WeakPolarHBondContact O-CB 3.25Å; G351-R354 PolarHBondContact O-N 3.21Å
352M79Confident90.6Very high101 Ų10146.3 Ų46.350%0.49824%0.241SC..THydrogen-bonded Turntrans-64.6-26.1-171.9-62.4-63.8-58.600114.1A290 V291A290-M352 HydrophobicContact CB-CE 3.89Å; V291-M352 HydrophobicContact CG2-CB 4.49Å
353E85.9Confident90.5Very high25 Ų2546.3 Ų46.312%0.11724%0.241CC..Hα-helixtrans-80.4-19.9-177.5-60.5-174.7-158.400112.5L347 D348 G351 N355 L356 G357 I431 R436L347-E353 WeakPolarHBondContact CA-OE2 3.36Å; L347-E353 HydrophobicContact CB-CB 4.41Å; L347-E353 HydrophobicContact CD2-CB 4.27Å; L347-E353 HydrophobicContact CD2-CG 4.33Å; L347-E353 WeakPolarHBondContact CD2-OE2 3.27Å; D348-E353 HydrophobicContact CB-CB 4.09Å; D348-E353 HydrophobicContact CB-CG 4.43Å; D348-E353 PolarHBondContact N-OE2 2.9Å; D348-E353 CarbonylContact O-C 3.37Å; D348-E353 WeakPolarHBondContact O-CB 3.34Å; G351-E353 VanDerWaalsContact C-N 3.26Å; G351-E353 PolarHBondContact O-N 3.01Å; E353-N355 PolarHBondContact O-N 2.79Å; E353-L356 WeakPolarHBondContact O-CB 3.46Å; E353-L356 PolarHBondContact O-N 2.92Å; E353-L356 VanDerWaalsContact O-N 3.16Å; E353-G357 PolarHBondContact O-N 2.99Å; E353-I431 HydrophobicContact CG-CB 4.38Å; E353-I431 HydrophobicContact CG-CD1 4.15Å; E353-I431 HydrophobicContact CG-CG1 4.31Å; E353-I431 WeakPolarHBondContact OE1-CG2 3.41Å; E353-R436 IonicContact OE1-NH2 2.71Å; E353-R436 IonicContact OE2-NH1 2.89Å; E353-R436 PolarHBondContact OE2-NH1 3.2Å
354R88.5Confident90.4Very high161 Ų16146.9 Ų46.961%0.60824%0.244SC*.Hα-helixtrans-57.3-48.2-176.6179.8-178.4170178.3-1.7112.3D348 Q349 G351 L356 G357 H358D348-R354 PolarHBondContact O-N 3.24Å; Q349-R354 WeakPolarHBondContact O-CG 3.38Å; G351-R354 WeakPolarHBondContact O-CB 3.25Å; G351-R354 PolarHBondContact O-N 3.21Å; R354-L356 VanDerWaalsContact C-N 3.29Å; R354-L356 PolarHBondContact O-N 3.4Å; R354-G357 PolarHBondContact O-N 3.25Å; R354-H358 WeakPolarHBondContact O-CB 3.36Å; R354-H358 PolarHBondContact O-N 2.61Å
355N91.1Very high90.3Very high110 Ų11053 Ų5359%0.58828%0.276SS*.Hα-helixtrans-65.8-36.4-178-67.4-5.2000111.2E353 A359E353-N355 PolarHBondContact O-N 2.79Å; N355-A359 VanDerWaalsContact O-CB 3.3Å; N355-A359 WeakPolarHBondContact O-CB 3.3Å; N355-A359 PolarHBondContact O-N 2.79Å
356L93.2Very high90.3Very high0 Ų056.2 Ų56.20%030%0.298CS..Hα-helixtrans-67.2-45.1175.2-177.166.4000111.7V275 I277 W279 V291 L293 L347 E353 R354 H358 A359 Y360 I431V275-L356 HydrophobicContact CB-CD1 4.49Å; V275-L356 HydrophobicContact CG1-CD1 4.49Å; V275-L356 HydrophobicContact CG2-CD2 3.93Å; V275-L356 HydrophobicContact CG2-CG 4.15Å; I277-L356 HydrophobicContact CD1-CD1 3.97Å; I277-L356 HydrophobicContact CG1-CD1 4.31Å; W279-L356 HydrophobicContact CB-CD1 3.81Å; W279-L356 HydrophobicContact CD2-CD1 3.73Å; W279-L356 HydrophobicContact CD2-CD2 3.92Å; W279-L356 HydrophobicContact CE3-CD1 4.27Å; W279-L356 HydrophobicContact CE3-CD2 3.95Å; W279-L356 HydrophobicContact CG-CD1 3.49Å; W279-L356 VanDerWaalsContact CG-CD1 3.49Å; W279-L356 HydrophobicContact CH2-CD2 3.91Å; W279-L356 HydrophobicContact CZ2-CD2 3.91Å; W279-L356 HydrophobicContact CZ3-CD2 3.93Å; V291-L356 HydrophobicContact CG1-CB 4.16Å; V291-L356 HydrophobicContact CG1-CD1 4.41Å; V291-L356 HydrophobicContact CG1-CD2 4.35Å; L293-L356 HydrophobicContact CD2-CD1 3.79Å; L347-L356 HydrophobicContact CD1-CB 4.34Å; L347-L356 HydrophobicContact CD1-CD2 3.99Å; L347-L356 HydrophobicContact CD1-CG 3.95Å; L347-L356 HydrophobicContact CD2-CD2 4.28Å; E353-L356 WeakPolarHBondContact O-CB 3.46Å; E353-L356 PolarHBondContact O-N 2.92Å; E353-L356 VanDerWaalsContact O-N 3.16Å; R354-L356 VanDerWaalsContact C-N 3.29Å; R354-L356 PolarHBondContact O-N 3.4Å; L356-H358 VanDerWaalsContact C-N 3.34Å; L356-H358 PolarHBondContact O-N 2.84Å; L356-A359 PolarHBondContact O-N 3.49Å; L356-Y360 WeakPolarHBondContact O-CB 3.18Å; L356-Y360 PolarHBondContact O-N 2.86Å; L356-I431 HydrophobicContact CD2-CD1 3.8Å
357G93.7Very high90.4Very high12 Ų1257.3 Ų57.312%0.12430%0.303CS..Hα-helixtrans-63.3-39.6176.700000112.5E353 R354 A361E353-G357 PolarHBondContact O-N 2.99Å; R354-G357 PolarHBondContact O-N 3.25Å; G357-A361 PolarHBondContact O-N 3.41Å
358H93.7Very high90.6Very high115 Ų11560.7 Ų60.753%0.53232%0.322SS..Hα-helixtrans-66.2-49.2175.2-176.865.8000111.8R354 L356 Y360 A361 M362R354-H358 WeakPolarHBondContact O-CB 3.36Å; R354-H358 PolarHBondContact O-N 2.61Å; L356-H358 VanDerWaalsContact C-N 3.34Å; L356-H358 PolarHBondContact O-N 2.84Å; H358-Y360 PolarHBondContact O-N 3.34Å; H358-A361 PolarHBondContact O-N 3.02Å; H358-A361 VanDerWaalsContact O-N 3.16Å; H358-M362 WeakPolarHBondContact O-CG 3.23Å; H358-M362 PolarHBondContact O-N 3.48Å
359A93.8Very high91Very high17 Ų1766.8 Ų66.814%0.1435%0.349CS..Hα-helixtrans-58.8-3817700000112I277 L293 N355 L356 M362 A363I277-A359 HydrophobicContact CD1-CB 3.9Å; L293-A359 HydrophobicContact CD1-CB 3.83Å; L293-A359 HydrophobicContact CD2-CB 4.06Å; N355-A359 VanDerWaalsContact O-CB 3.3Å; N355-A359 WeakPolarHBondContact O-CB 3.3Å; N355-A359 PolarHBondContact O-N 2.79Å; L356-A359 PolarHBondContact O-N 3.49Å; A359-M362 PolarHBondContact O-N 3.33Å; A359-A363 WeakPolarHBondContact O-CB 3.25Å; A359-A363 PolarHBondContact O-N 2.89Å
360Y96Very high91.5Very high0 Ų071.3 Ų71.30%037%0.368CS..Hα-helixtrans-66.2-46175.7-174.7-153.1000112.3V275 P276 I277 F329 I343 N345 L356 H358 M362 A363 V364 Y374 R427 N429V275-Y360 HydrophobicContact CG1-CD1 3.64Å; V275-Y360 HydrophobicContact CG1-CD2 3.76Å; V275-Y360 HydrophobicContact CG1-CE1 4.19Å; V275-Y360 HydrophobicContact CG1-CE2 4.32Å; V275-Y360 HydrophobicContact CG1-CG 3.38Å; P276-Y360 VanDerWaalsContact CD-CZ 3.42Å; P276-Y360 HydrophobicContact CG-CD2 4.18Å; P276-Y360 HydrophobicContact CG-CE2 3.31Å; I277-Y360 HydrophobicContact CG2-CD2 4.19Å; F329-Y360 HydrophobicContact CE2-CE2 4.43Å; I343-Y360 HydrophobicContact CG2-CE1 3.75Å; I343-Y360 WeakPolarHBondContact CG2-OH 3.5Å; N345-Y360 HydrophobicContact CB-CD1 4.35Å; N345-Y360 HydrophobicContact CB-CE1 4.26Å; L356-Y360 WeakPolarHBondContact O-CB 3.18Å; L356-Y360 PolarHBondContact O-N 2.86Å; H358-Y360 PolarHBondContact O-N 3.34Å; Y360-M362 VanDerWaalsContact C-N 3.28Å; Y360-M362 PolarHBondContact O-N 2.98Å; Y360-A363 PolarHBondContact O-N 3.48Å; Y360-A363 VanDerWaalsContact O-N 3.14Å; Y360-V364 HydrophobicContact CD2-CG1 3.75Å; Y360-V364 HydrophobicContact CE2-CG1 3.35Å; Y360-V364 WeakPolarHBondContact O-CG2 3.31Å; Y360-V364 PolarHBondContact O-N 3.02Å; Y360-V364 VanDerWaalsContact O-N 3.09Å; Y360-Y374 AromaticContact CD1-CE2 3.77Å; Y360-Y374 HydrophobicContact CD1-CE2 3.77Å; Y360-Y374 HydrophobicContact CE1-CD2 4.45Å; Y360-Y374 AromaticContact CE1-CE2 3.81Å; Y360-Y374 HydrophobicContact CE1-CE2 3.81Å; Y360-Y374 HydrophobicContact CG-CE2 4.36Å; Y360-R427 PolarHBondContact OH-NH1 3.21Å; Y360-N429 WeakPolarHBondContact CE1-OD1 3.4Å
361A95.6Very high92.4Very high23 Ų2367 Ų6719%0.1935%0.35CS..Hα-helixtrans-57.6-42.817600000111.6G357 H358 V364 L365 Y374G357-A361 PolarHBondContact O-N 3.41Å; H358-A361 PolarHBondContact O-N 3.02Å; H358-A361 VanDerWaalsContact O-N 3.16Å; A361-V364 WeakPolarHBondContact O-CG2 3.39Å; A361-V364 PolarHBondContact O-N 3.19Å; A361-L365 PolarHBondContact O-N 2.76Å; A361-L365 VanDerWaalsContact O-N 3.1Å; A361-Y374 HydrophobicContact CB-CE1 4.01Å
362M95.6Very high93.2Very high74 Ų7464.4 Ų64.437%0.36532%0.322SS..Hα-helixtrans-66.9-36.7176.5-64-57.993.800112.5H358 A359 Y360 V364 P366H358-M362 WeakPolarHBondContact O-CG 3.23Å; H358-M362 PolarHBondContact O-N 3.48Å; A359-M362 PolarHBondContact O-N 3.33Å; Y360-M362 VanDerWaalsContact C-N 3.28Å; Y360-M362 PolarHBondContact O-N 2.98Å; M362-V364 VanDerWaalsContact C-N 3.34Å; M362-V364 PolarHBondContact O-N 3.19Å; M362-P366 WeakPolarHBondContact O-CD 3.43Å
363A95.9Very high94Very high1 Ų161.9 Ų61.91%0.00831%0.308CS..Hα-helixtrans-68.8-29.7178.800000113.5I277 Q321 A322 A325 A359 Y360I277-A363 HydrophobicContact CG2-CB 3.74Å; Q321-A363 HydrophobicContact CB-CB 4.07Å; A322-A363 WeakPolarHBondContact CA-O 3.46Å; A325-A363 HydrophobicContact CB-CB 4.1Å; A359-A363 WeakPolarHBondContact O-CB 3.25Å; A359-A363 PolarHBondContact O-N 2.89Å; Y360-A363 PolarHBondContact O-N 3.48Å; Y360-A363 VanDerWaalsContact O-N 3.14Å
364V96.3Very high94.5Very high11 Ų1163.5 Ų63.57%0.06731%0.313CS..Hα-helixtrans-93.8-17.8180-59.50000114F329 I343 Y360 A361 M362 P366 L367 Y374F329-V364 HydrophobicContact CE2-CG1 3.9Å; I343-V364 HydrophobicContact CD1-CB 4.42Å; I343-V364 HydrophobicContact CD1-CG1 3.95Å; Y360-V364 HydrophobicContact CD2-CG1 3.75Å; Y360-V364 HydrophobicContact CE2-CG1 3.35Å; Y360-V364 WeakPolarHBondContact O-CG2 3.31Å; Y360-V364 PolarHBondContact O-N 3.02Å; Y360-V364 VanDerWaalsContact O-N 3.09Å; A361-V364 WeakPolarHBondContact O-CG2 3.39Å; A361-V364 PolarHBondContact O-N 3.19Å; M362-V364 VanDerWaalsContact C-N 3.34Å; M362-V364 PolarHBondContact O-N 3.19Å; V364-P366 VanDerWaalsContact C-N 3.28Å; V364-L367 HydrophobicContact CB-CD1 3.98Å; V364-L367 HydrophobicContact CG1-CD1 4.09Å; V364-L367 WeakPolarHBondContact O-CB 3.4Å; V364-L367 WeakPolarHBondContact O-CG 3.48Å; V364-L367 PolarHBondContact O-N 3.41Å; V364-Y374 HydrophobicContact CG2-CD2 3.64Å; V364-Y374 HydrophobicContact CG2-CE2 4.21Å; V364-Y374 HydrophobicContact CG2-CG 3.83Å
365L94.7Very high94.7Very high128 Ų12857.6 Ų57.667%0.6729%0.293SS*.THydrogen-bonded Turntrans-52.1-37178.8-17268.7000114A361 L367A361-L365 PolarHBondContact O-N 2.76Å; A361-L365 VanDerWaalsContact O-N 3.1Å; L365-L367 VanDerWaalsContact C-N 3.29Å; L365-L367 PolarHBondContact O-N 2.89Å
366P94.8Very high94.7Very high74 Ų7455 Ų5548%0.48128%0.283SS..THydrogen-bonded Turntrans-81.42.4179.2-14.732.5000115.2A322 M362 V364A322-P366 HydrophobicContact CB-CG 4.32Å; M362-P366 WeakPolarHBondContact O-CD 3.43Å; V364-P366 VanDerWaalsContact C-N 3.28Å
367L95.8Very high94.3Very high22 Ų2256 Ų5612%0.11529%0.287CS..SBendtrans-82.1153.9179.5-55.6178.5000110.5R326 F329 V364 L365 E369 V372R326-L367 HydrophobicContact CB-CD2 3.65Å; R326-L367 HydrophobicContact CG-CD2 3.81Å; F329-L367 HydrophobicContact CB-CD1 4.45Å; F329-L367 HydrophobicContact CD2-CD1 3.46Å; F329-L367 VanDerWaalsContact CD2-CD1 3.46Å; F329-L367 HydrophobicContact CE2-CD1 4.08Å; F329-L367 HydrophobicContact CG-CD1 4.18Å; V364-L367 HydrophobicContact CB-CD1 3.98Å; V364-L367 HydrophobicContact CG1-CD1 4.09Å; V364-L367 WeakPolarHBondContact O-CB 3.4Å; V364-L367 WeakPolarHBondContact O-CG 3.48Å; V364-L367 PolarHBondContact O-N 3.41Å; L365-L367 VanDerWaalsContact C-N 3.29Å; L365-L367 PolarHBondContact O-N 2.89Å; L367-E369 PolarHBondContact O-N 3.15Å; L367-V372 HydrophobicContact CB-CB 4.23Å; L367-V372 HydrophobicContact CB-CG2 4.35Å; L367-V372 HydrophobicContact CD1-CB 4.34Å; L367-V372 HydrophobicContact CD1-CG1 4.15Å; L367-V372 HydrophobicContact CD1-CG2 4.16Å
368D94.3Very high93.6Very high76 Ų7655.6 Ų55.641%0.40628%0.282SS..  trans-66.2120.9177.4-174.3-10.6000110.3K370 E371 V372D368-K370 PolarHBondContact O-N 3.22Å; D368-K370 VanDerWaalsContact O-N 3.14Å; D368-K370 VanDerWaalsContact OD1-CB 3.32Å; D368-K370 WeakPolarHBondContact OD1-CB 3.45Å; D368-K370 WeakPolarHBondContact OD1-CG 3.42Å; D368-K370 PolarHBondContact OD1-N 2.93Å; D368-E371 HydrophobicContact CB-CB 4.27Å; D368-E371 HydrophobicContact CB-CG 4.3Å; D368-E371 WeakPolarHBondContact O-CA 3.4Å; D368-E371 PolarHBondContact O-N 3.14Å; D368-V372 PolarHBondContact O-N 3.18Å
369E92.3Very high92.4Very high159 Ų15950.3 Ų50.374%0.74326%0.258SS*.THydrogen-bonded Turntrans-59.9-22.9178-62.4-175.6167.800113.2R340 L367 E371 V372R340-E369 PolarHBondContact NH2-O 3.12Å; L367-E369 PolarHBondContact O-N 3.15Å; E369-E371 VanDerWaalsContact C-N 3.31Å; E369-V372 WeakPolarHBondContact CA-O 3.15Å
370K93.1Very high91.2Very high168 Ų16853.3 Ų53.373%0.7327%0.269SS*.THydrogen-bonded Turntrans-71.5-27.7173.1-64.4177.4-177.8171.90112.1R340 D368R340-K370 WeakPolarHBondContact CD-O 3.42Å; R340-K370 WeakPolarHBondContact CG-O 3.45Å; R340-K370 PolarHBondContact NE-O 3.28Å; D368-K370 PolarHBondContact O-N 3.22Å; D368-K370 VanDerWaalsContact O-N 3.14Å; D368-K370 VanDerWaalsContact OD1-CB 3.32Å; D368-K370 WeakPolarHBondContact OD1-CB 3.45Å; D368-K370 WeakPolarHBondContact OD1-CG 3.42Å; D368-K370 PolarHBondContact OD1-N 2.93Å
371E95.9Very high89.5Confident65 Ų6558.6 Ų58.630%0.30429%0.289SS..THydrogen-bonded Turntrans-98.7-35.2-178.7-73177.1-163.900112.7I333 Y334 R340 Q341 D368 E369I333-E371 HydrophobicContact CD1-CB 3.91Å; Y334-E371 PolarHBondContact OH-OE1 2.82Å; Y334-E371 PolarHBondContact OH-OE2 2.73Å; R340-E371 WeakPolarHBondContact CA-O 3.5Å; R340-E371 WeakPolarHBondContact CG-O 3.42Å; Q341-E371 PolarHBondContact N-O 3.44Å; D368-E371 HydrophobicContact CB-CB 4.27Å; D368-E371 HydrophobicContact CB-CG 4.3Å; D368-E371 WeakPolarHBondContact O-CA 3.4Å; D368-E371 PolarHBondContact O-N 3.14Å; E369-E371 VanDerWaalsContact C-N 3.31Å
372V97.4Very high87.9Confident11 Ų1158.8 Ų58.87%0.06729%0.286CS..EExtended strand (participates in β ladder)trans-135120.4-174.3-175.90000110.4F329 I333 Q341 I343 L367 D368 E369F329-V372 HydrophobicContact CB-CG2 4.03Å; F329-V372 HydrophobicContact CD1-CG1 4.5Å; F329-V372 HydrophobicContact CD1-CG2 4.26Å; F329-V372 HydrophobicContact CG-CG2 4.07Å; I333-V372 HydrophobicContact CD1-CG2 4.1Å; Q341-V372 HydrophobicContact CB-CG2 4.48Å; Q341-V372 CarbonylContact O-C 3.51Å; Q341-V372 WeakPolarHBondContact O-CA 3.33Å; I343-V372 HydrophobicContact CD1-CG1 3.42Å; I343-V372 VanDerWaalsContact CD1-CG1 3.42Å; I343-V372 HydrophobicContact CG1-CG1 4.06Å; L367-V372 HydrophobicContact CB-CB 4.23Å; L367-V372 HydrophobicContact CB-CG2 4.35Å; L367-V372 HydrophobicContact CD1-CB 4.34Å; L367-V372 HydrophobicContact CD1-CG1 4.15Å; L367-V372 HydrophobicContact CD1-CG2 4.16Å; D368-V372 PolarHBondContact O-N 3.18Å; E369-V372 WeakPolarHBondContact CA-O 3.15Å
373K96.7Very high86.1Confident47 Ų4755.5 Ų55.520%0.20427%0.27CS..EExtended strand (participates in β ladder)trans-105.9132.3170.7-173.7177.5-176.5-172.80109.9Q341 T342 I343 E375 E401Q341-K373 PolarHBondContact O-N 3.22Å; T342-K373 HydrophobicContact CG2-CB 4.42Å; T342-K373 HydrophobicContact CG2-CD 4.43Å; I343-K373 WeakPolarHBondContact CB-O 3.39Å; I343-K373 PolarHBondContact N-O 2.84Å; K373-E375 WeakPolarHBondContact CE-OE1 3.48Å; K373-E375 IonicContact NZ-OE1 2.7Å; K373-E375 PolarHBondContact NZ-OE1 3.34Å; K373-E401 HydrophobicContact CD-CG 3.84Å; K373-E401 VanDerWaalsContact CD-OE1 3.24Å; K373-E401 WeakPolarHBondContact CD-OE1 3.38Å; K373-E401 IonicContact NZ-OE1 3.32Å; K373-E401 PolarHBondContact NZ-OE1 2.98Å
374Y95.9Very high84.4Confident60 Ų6056.6 Ų56.624%0.23528%0.281CS..EExtended strand (participates in β ladder)trans-108.6117.7177.2179.8-95.7000111.8I343 N345 Y360 A361 V364I343-Y374 HydrophobicContact CB-CD2 4.09Å; I343-Y374 HydrophobicContact CD1-CD2 4.07Å; I343-Y374 HydrophobicContact CG2-CD2 3.76Å; I343-Y374 HydrophobicContact CG2-CE2 4.13Å; N345-Y374 HydrophobicContact CB-CE2 3.8Å; N345-Y374 PolarHBondContact ND2-OH 3.48Å; Y360-Y374 AromaticContact CD1-CE2 3.77Å; Y360-Y374 HydrophobicContact CD1-CE2 3.77Å; Y360-Y374 HydrophobicContact CE1-CD2 4.45Å; Y360-Y374 AromaticContact CE1-CE2 3.81Å; Y360-Y374 HydrophobicContact CE1-CE2 3.81Å; Y360-Y374 HydrophobicContact CG-CE2 4.36Å; A361-Y374 HydrophobicContact CB-CE1 4.01Å; V364-Y374 HydrophobicContact CG2-CD2 3.64Å; V364-Y374 HydrophobicContact CG2-CE2 4.21Å; V364-Y374 HydrophobicContact CG2-CG 3.83Å
375E93.5Very high82.6Confident37 Ų3761.2 Ų61.217%0.17331%0.314CS..EExtended strand (participates in β ladder)trans-117.3116.7174.1-69.9-71174.200109.6I343 I344 N345 K373 H397 L398I343-E375 WeakPolarHBondContact O-CB 3.41Å; I343-E375 PolarHBondContact O-N 2.67Å; I344-E375 WeakPolarHBondContact CA-O 3.41Å; N345-E375 PolarHBondContact N-O 2.84Å; K373-E375 WeakPolarHBondContact CE-OE1 3.48Å; K373-E375 IonicContact NZ-OE1 2.7Å; K373-E375 PolarHBondContact NZ-OE1 3.34Å; E375-H397 IonicContact OE2-ND1 2.78Å; E375-L398 HydrophobicContact CB-CD2 4.48Å; E375-L398 HydrophobicContact CG-CD2 4.24Å
376S90.4Very high80.8Confident55 Ų5560.7 Ų60.739%0.38532%0.316SS..EExtended strand (participates in β ladder)trans-102.5129.9174.970.30000111.1
377F86.1Confident79.3Confident20 Ų2062.8 Ų62.89%0.08831%0.314CS..  trans-136.5113.2-179.9-173.5-94.6000110.4N345 L346 F379 E382 R390 L391 L394N345-F377 PolarHBondContact O-N 2.82Å; L346-F377 WeakPolarHBondContact CA-O 3.42Å; L346-F377 HydrophobicContact CD2-CB 4.18Å; L346-F377 HydrophobicContact CD2-CD1 4.34Å; F377-F379 VanDerWaalsContact C-N 3.3Å; F377-F379 PolarHBondContact O-N 3.41Å; F377-E382 HydrophobicContact CD2-CG 4.37Å; F377-E382 HydrophobicContact CE1-CB 3.76Å; F377-E382 HydrophobicContact CE1-CG 4.17Å; F377-E382 HydrophobicContact CE2-CB 4.05Å; F377-E382 HydrophobicContact CE2-CG 3.84Å; F377-E382 HydrophobicContact CZ-CB 3.42Å; F377-E382 VanDerWaalsContact CZ-CB 3.42Å; F377-E382 HydrophobicContact CZ-CG 3.73Å; F377-R390 HydrophobicContact CZ-CB 4.49Å; F377-L391 HydrophobicContact CE1-CD2 4.08Å; F377-L394 HydrophobicContact CB-CD1 3.98Å; F377-L394 HydrophobicContact CB-CD2 4.29Å; F377-L394 HydrophobicContact CD1-CD2 4Å; F377-L394 HydrophobicContact CD2-CB 3.93Å; F377-L394 HydrophobicContact CD2-CD1 4.08Å; F377-L394 HydrophobicContact CD2-CD2 4.46Å; F377-L394 HydrophobicContact CD2-CG 4.37Å; F377-L394 HydrophobicContact CE1-CD2 4.43Å; F377-L394 HydrophobicContact CE2-CB 3.86Å; F377-L394 HydrophobicContact CG-CB 4.31Å; F377-L394 HydrophobicContact CG-CD1 4.09Å; F377-L394 HydrophobicContact CG-CD2 4.01Å; F377-L394 HydrophobicContact CG-CG 4.36Å; F377-L394 HydrophobicContact CZ-CB 4.19Å
378D77.6Confident77.8Confident5 Ų563.8 Ų63.83%0.02732%0.317CS..  trans-72.585.5178.1-170.9-25000110.3Q349 H380 R381 E382Q349-D378 HydrophobicContact CB-CB 4.37Å; Q349-D378 WeakPolarHBondContact CB-OD2 3.5Å; Q349-D378 HydrophobicContact CG-CB 3.84Å; Q349-D378 PolarHBondContact N-OD2 3.43Å; Q349-D378 VanDerWaalsContact N-OD2 3.15Å; D378-H380 PolarHBondContact O-N 3.17Å; D378-H380 PolarHBondContact OD1-N 3.2Å; D378-R381 HydrophobicContact CB-CB 3.94Å; D378-R381 PolarHBondContact O-N 3.27Å; D378-R381 WeakPolarHBondContact OD1-CB 3.33Å; D378-R381 PolarHBondContact OD1-N 3.35Å; D378-R381 WeakPolarHBondContact OD2-CB 3.39Å; D378-E382 WeakPolarHBondContact O-CB 3.23Å; D378-E382 VanDerWaalsContact O-CG 3.28Å; D378-E382 WeakPolarHBondContact O-CG 3.36Å; D378-E382 PolarHBondContact O-N 2.97Å
379F69.1Low76.6Confident4 Ų465.7 Ų65.72%0.01833%0.327CS..Hα-helixtrans-55.4-37.2-175.4-166.7-81.9000112.6L346 F377 C383 W388 L391 R436 V439 V440L346-F379 HydrophobicContact CD2-CD2 4.43Å; F377-F379 VanDerWaalsContact C-N 3.3Å; F377-F379 PolarHBondContact O-N 3.41Å; F379-C383 HydrophobicContact CD1-CB 4.37Å; F379-C383 HydrophobicContact CE1-CB 4.35Å; F379-C383 WeakPolarHBondContact O-CA 3.08Å; F379-C383 WeakPolarHBondContact O-CB 3.46Å; F379-C383 PolarHBondContact O-N 3.31Å; F379-W388 HydrophobicContact CE1-CH2 4.05Å; F379-W388 AromaticContact CE1-CZ3 3.74Å; F379-W388 HydrophobicContact CE1-CZ3 3.74Å; F379-W388 HydrophobicContact CZ-CH2 4.33Å; F379-W388 AromaticContact CZ-CZ3 3.65Å; F379-W388 HydrophobicContact CZ-CZ3 3.65Å; F379-L391 HydrophobicContact CD2-CD2 4.18Å; F379-L391 HydrophobicContact CE2-CD2 3.79Å; F379-R436 HydrophobicContact CD1-CB 4.46Å; F379-R436 HydrophobicContact CD1-CG 3.94Å; F379-R436 HydrophobicContact CD2-CB 4.21Å; F379-R436 HydrophobicContact CE1-CG 4.21Å; F379-R436 HydrophobicContact CE2-CB 4.33Å; F379-R436 HydrophobicContact CG-CB 4.25Å; F379-R436 HydrophobicContact CG-CG 4.1Å; F379-V439 HydrophobicContact CE2-CB 4.47Å; F379-V439 HydrophobicContact CE2-CG1 4.38Å; F379-V439 HydrophobicContact CZ-CB 4.38Å; F379-V439 HydrophobicContact CZ-CG1 4.31Å; F379-V440 HydrophobicContact CE2-CG2 4.38Å
380H67.4Low75.9Confident79 Ų7961.4 Ų61.437%0.36630%0.304SS..Hα-helixtrans-75.9-37.2-178.8-91.1-57.2000113.2D348 D378 G384 R436D348-H380 IonicContact OD1-CD2 3.27Å; D348-H380 PolarHBondContact OD1-CD2 3.22Å; D348-H380 IonicContact OD1-CG 2.93Å; D348-H380 IonicContact OD2-CD2 2.68Å; D348-H380 PolarHBondContact OD2-CD2 3.13Å; D348-H380 VanDerWaalsContact OD2-CD2 3.23Å; D378-H380 PolarHBondContact O-N 3.17Å; D378-H380 PolarHBondContact OD1-N 3.2Å; H380-G384 PolarHBondContact O-N 2.98Å; H380-R436 PolarHBondContact CD2-NH2 3.32Å; H380-R436 PolarHBondContact NE2-NH2 3.01Å
381R60.8Low75.4Confident112 Ų11253.4 Ų53.442%0.42327%0.269SS..Hα-helixtrans-70.6-47.3175.6-175.5-177.474.5-154.33.7111.6D378D378-R381 HydrophobicContact CB-CB 3.94Å; D378-R381 PolarHBondContact O-N 3.27Å; D378-R381 WeakPolarHBondContact OD1-CB 3.33Å; D378-R381 PolarHBondContact OD1-N 3.35Å; D378-R381 WeakPolarHBondContact OD2-CB 3.39Å
382E61.5Low74.9Confident27 Ų2750.8 Ų50.813%0.12626%0.259CS..Hα-helixtrans-74-46.4-175.3-59.9-54.2144.200110.6F377 D378 R390F377-E382 HydrophobicContact CD2-CG 4.37Å; F377-E382 HydrophobicContact CE1-CB 3.76Å; F377-E382 HydrophobicContact CE1-CG 4.17Å; F377-E382 HydrophobicContact CE2-CB 4.05Å; F377-E382 HydrophobicContact CE2-CG 3.84Å; F377-E382 HydrophobicContact CZ-CB 3.42Å; F377-E382 VanDerWaalsContact CZ-CB 3.42Å; F377-E382 HydrophobicContact CZ-CG 3.73Å; D378-E382 WeakPolarHBondContact O-CB 3.23Å; D378-E382 VanDerWaalsContact O-CG 3.28Å; D378-E382 WeakPolarHBondContact O-CG 3.36Å; D378-E382 PolarHBondContact O-N 2.97Å; E382-R390 HydrophobicContact CB-CB 4.22Å; E382-R390 VanDerWaalsContact O-CD 3.31Å; E382-R390 WeakPolarHBondContact O-CD 3.01Å; E382-R390 WeakPolarHBondContact OE2-CD 3.5Å; E382-R390 IonicContact OE2-CZ 3.89Å; E382-R390 IonicContact OE2-NE 2.72Å; E382-R390 IonicContact OE2-NH1 3.65Å; E382-R390 PolarHBondContact OE2-NH1 3.41Å
383C58.2Low74.4Confident5 Ų554 Ų543%0.03428%0.275CS..THydrogen-bonded Turntrans-105.951.8-176.6-49.90000112.1F379 W388 L391F379-C383 HydrophobicContact CD1-CB 4.37Å; F379-C383 HydrophobicContact CE1-CB 4.35Å; F379-C383 WeakPolarHBondContact O-CA 3.08Å; F379-C383 WeakPolarHBondContact O-CB 3.46Å; F379-C383 PolarHBondContact O-N 3.31Å; C383-W388 HydrophobicContact CB-CD2 4.42Å; C383-W388 HydrophobicContact CB-CE3 3.81Å; C383-W388 HydrophobicContact CB-CZ3 3.88Å; C383-L391 VanDerWaalsContact SG-CD2 3.54Å; C383-L391 VanDerWaalsContact SG-CG 3.57Å
384G60.4Low74.1Confident23 Ų2352 Ų5224%0.23727%0.267CS..  trans-51.8177.8167.300000112.2H380 T386 R387H380-G384 PolarHBondContact O-N 2.98Å; G384-T386 PolarHBondContact O-N 3.35Å; G384-R387 PolarHBondContact O-N 2.61Å
385S58.8Low73.8Confident109 Ų10949.3 Ų49.376%0.76226%0.256SS*.THydrogen-bonded Turntrans-49-25.1-167.853.60000116.3W388S385-W388 PolarHBondContact O-NE1 3.3Å
386T57.1Low73.8Confident116 Ų11652.8 Ų52.871%0.71227%0.273SS*.THydrogen-bonded Turntrans-125.9-6.2-176.355.90000116.6G384 W388G384-T386 PolarHBondContact O-N 3.35Å; T386-W388 PolarHBondContact O-N 2.8Å
387R64.2Low73.9Confident118 Ų11854.8 Ų54.845%0.44528%0.276SS..  trans-105.157.5-169.7-71.8-172.4-70.9-175.4-1.9114.2G384 D389G384-R387 PolarHBondContact O-N 2.61Å; R387-D389 VanDerWaalsContact C-N 3.34Å; R387-D389 VanDerWaalsContact CA-OD1 3.23Å; R387-D389 WeakPolarHBondContact CA-OD1 3.36Å
388W64.2Low74.3Confident43 Ų4353.8 Ų53.816%0.16327%0.272CS..G310 helixtrans-80.1-17.3-176.8-61.397.8000113.9F379 C383 S385 T386 R390 L391 F511F379-W388 HydrophobicContact CE1-CH2 4.05Å; F379-W388 AromaticContact CE1-CZ3 3.74Å; F379-W388 HydrophobicContact CE1-CZ3 3.74Å; F379-W388 HydrophobicContact CZ-CH2 4.33Å; F379-W388 AromaticContact CZ-CZ3 3.65Å; F379-W388 HydrophobicContact CZ-CZ3 3.65Å; C383-W388 HydrophobicContact CB-CD2 4.42Å; C383-W388 HydrophobicContact CB-CE3 3.81Å; C383-W388 HydrophobicContact CB-CZ3 3.88Å; S385-W388 PolarHBondContact O-NE1 3.3Å; T386-W388 PolarHBondContact O-N 2.8Å; W388-R390 PolarHBondContact O-N 2.66Å; W388-R390 VanDerWaalsContact O-N 3.16Å; W388-L391 HydrophobicContact CE3-CD1 3.84Å; W388-L391 HydrophobicContact CZ3-CD1 4.39Å; W388-L391 WeakPolarHBondContact O-CB 2.88Å; W388-L391 PolarHBondContact O-N 2.7Å; W388-F511 HydrophobicContact CB-CZ 4.2Å; W388-F511 AromaticContact CD1-CE2 3.92Å; W388-F511 HydrophobicContact CD2-CD2 4.43Å; W388-F511 HydrophobicContact CD2-CE1 4.16Å; W388-F511 AromaticContact CD2-CE2 3.53Å; W388-F511 HydrophobicContact CD2-CE2 3.53Å; W388-F511 AromaticContact CD2-CZ 3.37Å; W388-F511 HydrophobicContact CD2-CZ 3.37Å; W388-F511 AromaticContact CE2-CE2 3.57Å; W388-F511 AromaticContact CE2-CZ 3.88Å; W388-F511 AromaticContact CE3-CE1 3.77Å; W388-F511 HydrophobicContact CE3-CE1 3.77Å; W388-F511 HydrophobicContact CE3-CE2 4.02Å; W388-F511 AromaticContact CE3-CZ 3.41Å; W388-F511 HydrophobicContact CE3-CZ 3.41Å; W388-F511 VanDerWaalsContact CE3-CZ 3.41Å; W388-F511 AromaticContact CG-CE2 3.75Å; W388-F511 HydrophobicContact CG-CE2 3.75Å; W388-F511 AromaticContact CG-CZ 3.73Å; W388-F511 HydrophobicContact CG-CZ 3.73Å; W388-F511 HydrophobicContact CH2-CD1 4.43Å; W388-F511 HydrophobicContact CH2-CE1 4.33Å; W388-F511 HydrophobicContact CH2-CE2 4.49Å; W388-F511 HydrophobicContact CH2-CZ 4.36Å; W388-F511 HydrophobicContact CZ2-CD2 4.19Å; W388-F511 HydrophobicContact CZ2-CE2 4.08Å; W388-F511 HydrophobicContact CZ2-CZ 4.35Å; W388-F511 HydrophobicContact CZ3-CD1 4.35Å; W388-F511 AromaticContact CZ3-CE1 3.86Å; W388-F511 HydrophobicContact CZ3-CE1 3.86Å; W388-F511 HydrophobicContact CZ3-CE2 4.46Å; W388-F511 AromaticContact CZ3-CZ 3.93Å; W388-F511 HydrophobicContact CZ3-CZ 3.93Å; W388-F511 AromaticContact NE1-CE2 3.83Å
389D68.8Low75.2Confident117 Ų11753.7 Ų53.763%0.62627%0.271SS*.G310 helixtrans-51.4-30.7169.556.9-55.9000112.3R387 L391 G392R387-D389 VanDerWaalsContact C-N 3.34Å; R387-D389 VanDerWaalsContact CA-OD1 3.23Å; R387-D389 WeakPolarHBondContact CA-OD1 3.36Å; D389-L391 PolarHBondContact O-N 2.7Å; D389-G392 PolarHBondContact O-N 3.08Å
390R77.4Confident76.5Confident68 Ų6857 Ų5726%0.25729%0.292SS..G310 helixtrans-65.7-18.3176.8-61.2-154-179-177.9-8.1115F377 E382 W388 G392 I393 L394F377-R390 HydrophobicContact CZ-CB 4.49Å; E382-R390 HydrophobicContact CB-CB 4.22Å; E382-R390 VanDerWaalsContact O-CD 3.31Å; E382-R390 WeakPolarHBondContact O-CD 3.01Å; E382-R390 WeakPolarHBondContact OE2-CD 3.5Å; E382-R390 IonicContact OE2-CZ 3.89Å; E382-R390 IonicContact OE2-NE 2.72Å; E382-R390 IonicContact OE2-NH1 3.65Å; E382-R390 PolarHBondContact OE2-NH1 3.41Å; W388-R390 PolarHBondContact O-N 2.66Å; W388-R390 VanDerWaalsContact O-N 3.16Å; R390-G392 PolarHBondContact O-N 3.03Å; R390-I393 HydrophobicContact CB-CD1 4.17Å; R390-I393 HydrophobicContact CG-CD1 4.15Å; R390-I393 WeakPolarHBondContact O-CB 3.46Å; R390-I393 PolarHBondContact O-N 3.19Å; R390-I393 VanDerWaalsContact O-N 3.09Å; R390-L394 PolarHBondContact O-N 2.89Å
391L83Confident77.9Confident1 Ų154.2 Ų54.21%0.00528%0.28CS..Hα-helixtrans-65-22.3169.6-67.4173.2000111.5F377 F379 C383 W388 D389 I393 L394 L395 V439 M443 A467F377-L391 HydrophobicContact CE1-CD2 4.08Å; F379-L391 HydrophobicContact CD2-CD2 4.18Å; F379-L391 HydrophobicContact CE2-CD2 3.79Å; C383-L391 VanDerWaalsContact SG-CD2 3.54Å; C383-L391 VanDerWaalsContact SG-CG 3.57Å; W388-L391 HydrophobicContact CE3-CD1 3.84Å; W388-L391 HydrophobicContact CZ3-CD1 4.39Å; W388-L391 WeakPolarHBondContact O-CB 2.88Å; W388-L391 PolarHBondContact O-N 2.7Å; D389-L391 PolarHBondContact O-N 2.7Å; L391-I393 VanDerWaalsContact C-N 3.33Å; L391-L394 PolarHBondContact O-N 2.71Å; L391-L395 PolarHBondContact O-N 3.12Å; L391-V439 HydrophobicContact CD1-CG1 3.96Å; L391-M443 HydrophobicContact CB-CE 3.71Å; L391-M443 HydrophobicContact CB-SD 4.02Å; L391-M443 HydrophobicContact CD1-SD 3.77Å; L391-M443 HydrophobicContact CG-SD 4.38Å; L391-A467 HydrophobicContact CB-CB 4.09Å; L391-A467 HydrophobicContact CD1-CB 4.16Å
392G84.1Confident79.7Confident9 Ų949.1 Ų49.19%0.09326%0.261CS..Hα-helixtrans-62.8-38.3169.900000112.5D389 R390 L394 L395 E396 R465D389-G392 PolarHBondContact O-N 3.08Å; R390-G392 PolarHBondContact O-N 3.03Å; G392-L394 VanDerWaalsContact C-N 3.33Å; G392-L394 PolarHBondContact O-N 3.07Å; G392-L395 CarbonylContact O-C 3.44Å; G392-L395 WeakPolarHBondContact O-CB 3.3Å; G392-L395 PolarHBondContact O-N 3.11Å; G392-L395 VanDerWaalsContact O-N 3.11Å; G392-E396 WeakPolarHBondContact O-CG 3.49Å; G392-E396 PolarHBondContact O-N 2.73Å; G392-R465 WeakPolarHBondContact CA-O 3.43Å
393I86.6Confident81.4Confident78 Ų7851.1 Ų51.140%0.427%0.272SS..Hα-helixtrans-61.3-44175.2-55.6170.2000110.3R390 L391 L395 E396 H397R390-I393 HydrophobicContact CB-CD1 4.17Å; R390-I393 HydrophobicContact CG-CD1 4.15Å; R390-I393 WeakPolarHBondContact O-CB 3.46Å; R390-I393 PolarHBondContact O-N 3.19Å; R390-I393 VanDerWaalsContact O-N 3.09Å; L391-I393 VanDerWaalsContact C-N 3.33Å; I393-L395 VanDerWaalsContact C-N 3.34Å; I393-L395 PolarHBondContact O-N 2.65Å; I393-E396 WeakPolarHBondContact O-CB 3.21Å; I393-E396 PolarHBondContact O-N 2.93Å; I393-H397 PolarHBondContact O-N 2.71Å
394L90.4Very high83.2Confident5 Ų555.8 Ų55.83%0.02629%0.289CS..Hα-helixtrans-61.4-44.5174.6179.959.6000110.9I344 L346 F377 R390 L391 G392 E396 H397 L398 V440I344-L394 HydrophobicContact CG2-CD2 4.45Å; L346-L394 HydrophobicContact CD2-CD2 4.34Å; F377-L394 HydrophobicContact CB-CD1 3.98Å; F377-L394 HydrophobicContact CB-CD2 4.29Å; F377-L394 HydrophobicContact CD1-CD2 4Å; F377-L394 HydrophobicContact CD2-CB 3.93Å; F377-L394 HydrophobicContact CD2-CD1 4.08Å; F377-L394 HydrophobicContact CD2-CD2 4.46Å; F377-L394 HydrophobicContact CD2-CG 4.37Å; F377-L394 HydrophobicContact CE1-CD2 4.43Å; F377-L394 HydrophobicContact CE2-CB 3.86Å; F377-L394 HydrophobicContact CG-CB 4.31Å; F377-L394 HydrophobicContact CG-CD1 4.09Å; F377-L394 HydrophobicContact CG-CD2 4.01Å; F377-L394 HydrophobicContact CG-CG 4.36Å; F377-L394 HydrophobicContact CZ-CB 4.19Å; R390-L394 PolarHBondContact O-N 2.89Å; L391-L394 PolarHBondContact O-N 2.71Å; G392-L394 VanDerWaalsContact C-N 3.33Å; G392-L394 PolarHBondContact O-N 3.07Å; L394-E396 VanDerWaalsContact C-N 3.31Å; L394-E396 PolarHBondContact O-N 3.43Å; L394-H397 PolarHBondContact O-N 2.93Å; L394-L398 HydrophobicContact CD1-CD1 3.83Å; L394-L398 HydrophobicContact CD1-CG 4.03Å; L394-L398 HydrophobicContact CD2-CD1 4.26Å; L394-L398 HydrophobicContact CG-CD1 3.69Å; L394-L398 HydrophobicContact CG-CG 4.25Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.42Å; L394-L398 PolarHBondContact O-N 3.15Å; L394-L398 VanDerWaalsContact O-N 3.11Å; L394-V440 HydrophobicContact CD2-CG1 4.16Å; L394-V440 HydrophobicContact CD2-CG2 3.96Å
395L91.5Very high85Confident4 Ų454.7 Ų54.72%0.02128%0.278CS..Hα-helixtrans-61.4-37176.7-75-177.9000113L391 G392 I393 H397 L398 I399 M443 L444L391-L395 PolarHBondContact O-N 3.12Å; G392-L395 CarbonylContact O-C 3.44Å; G392-L395 WeakPolarHBondContact O-CB 3.3Å; G392-L395 PolarHBondContact O-N 3.11Å; G392-L395 VanDerWaalsContact O-N 3.11Å; I393-L395 VanDerWaalsContact C-N 3.34Å; I393-L395 PolarHBondContact O-N 2.65Å; L395-H397 PolarHBondContact O-N 3.37Å; L395-L398 PolarHBondContact O-N 3.28Å; L395-L398 VanDerWaalsContact O-N 3.11Å; L395-I399 HydrophobicContact CB-CD1 4.02Å; L395-I399 HydrophobicContact CB-CG1 4.45Å; L395-I399 WeakPolarHBondContact O-CB 3.44Å; L395-I399 WeakPolarHBondContact O-CG1 3.35Å; L395-I399 PolarHBondContact O-N 3.38Å; L395-M443 HydrophobicContact CD1-CE 3.24Å; L395-M443 HydrophobicContact CD2-CB 4.23Å; L395-M443 HydrophobicContact CD2-CE 4.04Å; L395-M443 HydrophobicContact CG-CE 3.52Å; L395-L444 HydrophobicContact CD2-CD2 4.24Å
396E91.6Very high86.8Confident110 Ų11054.8 Ų54.851%0.51426%0.264SS..Hα-helixtrans-56.6-36.9176.4-75.7175-178.400112.1G392 I393 L394 P400G392-E396 WeakPolarHBondContact O-CG 3.49Å; G392-E396 PolarHBondContact O-N 2.73Å; I393-E396 WeakPolarHBondContact O-CB 3.21Å; I393-E396 PolarHBondContact O-N 2.93Å; L394-E396 VanDerWaalsContact C-N 3.31Å; L394-E396 PolarHBondContact O-N 3.43Å; E396-P400 WeakPolarHBondContact O-CD 3.36Å
397H92.6Very high88.8Confident97 Ų9749.6 Ų49.645%0.44923%0.232SC..Hα-helixtrans-80.1-30176.9-64.6-173.4000113.4E375 I393 L394 L395E375-H397 IonicContact OE2-ND1 2.78Å; I393-H397 PolarHBondContact O-N 2.71Å; L394-H397 PolarHBondContact O-N 2.93Å; L395-H397 PolarHBondContact O-N 3.37Å
398L96.2Very high90.4Very high0 Ų044 Ų440%021%0.211CC..Hα-helixtrans-89.6-30.3-175.3-62.8179.5000113.7T342 I344 E375 L394 L395 E401 L402 F426 V440 L444T342-L398 HydrophobicContact CG2-CD2 4.14Å; I344-L398 HydrophobicContact CD1-CD1 3.62Å; I344-L398 HydrophobicContact CD1-CD2 4.16Å; I344-L398 HydrophobicContact CG1-CD1 4.19Å; I344-L398 HydrophobicContact CG1-CD2 4Å; E375-L398 HydrophobicContact CB-CD2 4.48Å; E375-L398 HydrophobicContact CG-CD2 4.24Å; L394-L398 HydrophobicContact CD1-CD1 3.83Å; L394-L398 HydrophobicContact CD1-CG 4.03Å; L394-L398 HydrophobicContact CD2-CD1 4.26Å; L394-L398 HydrophobicContact CG-CD1 3.69Å; L394-L398 HydrophobicContact CG-CG 4.25Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.42Å; L394-L398 PolarHBondContact O-N 3.15Å; L394-L398 VanDerWaalsContact O-N 3.11Å; L395-L398 PolarHBondContact O-N 3.28Å; L395-L398 VanDerWaalsContact O-N 3.11Å; L398-E401 WeakPolarHBondContact O-CA 3.48Å; L398-E401 WeakPolarHBondContact O-CB 3.3Å; L398-E401 PolarHBondContact O-N 2.87Å; L398-L402 PolarHBondContact O-N 3.24Å; L398-F426 HydrophobicContact CB-CE1 4.14Å; L398-F426 HydrophobicContact CD2-CD1 4.34Å; L398-F426 HydrophobicContact CD2-CE1 3.96Å; L398-V440 HydrophobicContact CD1-CG1 4.28Å; L398-L444 HydrophobicContact CB-CD2 3.99Å; L398-L444 HydrophobicContact CD1-CD1 4.33Å; L398-L444 HydrophobicContact CD1-CD2 4.17Å
399I96.3Very high92Very high3 Ų342.1 Ų42.12%0.01520%0.204CC..Hα-helixtrans-58.9-44.6-178.9-76.7166.7000112.4L395 E401 L402 L403 V463 R465L395-I399 HydrophobicContact CB-CD1 4.02Å; L395-I399 HydrophobicContact CB-CG1 4.45Å; L395-I399 WeakPolarHBondContact O-CB 3.44Å; L395-I399 WeakPolarHBondContact O-CG1 3.35Å; L395-I399 PolarHBondContact O-N 3.38Å; I399-E401 PolarHBondContact O-N 2.9Å; I399-L402 WeakPolarHBondContact O-CB 3.39Å; I399-L402 PolarHBondContact O-N 3.35Å; I399-L403 HydrophobicContact CG2-CD1 3.93Å; I399-L403 HydrophobicContact CG2-CG 4.2Å; I399-L403 WeakPolarHBondContact O-CG 3.3Å; I399-L403 PolarHBondContact O-N 2.89Å; I399-V463 HydrophobicContact CD1-CG2 4.09Å; I399-V463 HydrophobicContact CG1-CG2 4.23Å; I399-V463 HydrophobicContact CG2-CG2 3.63Å; I399-R465 HydrophobicContact CD1-CB 4.18Å; I399-R465 HydrophobicContact CD1-CG 3.59Å
400P96.6Very high93.4Very high72 Ų7237.2 Ų37.247%0.46818%0.178SC..Hα-helixtrans-55.6-38.3174.2-26.935.7000112.7E396 R404E396-P400 WeakPolarHBondContact O-CD 3.36Å; P400-R404 VanDerWaalsContact O-CB 3.24Å; P400-R404 WeakPolarHBondContact O-CB 3.25Å; P400-R404 PolarHBondContact O-N 2.86Å
401E96.7Very high94.3Very high22 Ų2235.3 Ų35.310%0.10317%0.173CC..Hα-helixtrans-71.5-35.1176.6-60.6-58.4157.900113R340 T342 K373 L398 I399 R404 S405 F426R340-E401 IonicContact CZ-OE2 3.8Å; R340-E401 IonicContact NH1-OE1 3.67Å; R340-E401 IonicContact NH1-OE2 3.23Å; R340-E401 PolarHBondContact NH1-OE2 2.83Å; T342-E401 HydrophobicContact CG2-CB 4.47Å; T342-E401 HydrophobicContact CG2-CG 4.33Å; K373-E401 HydrophobicContact CD-CG 3.84Å; K373-E401 VanDerWaalsContact CD-OE1 3.24Å; K373-E401 WeakPolarHBondContact CD-OE1 3.38Å; K373-E401 IonicContact NZ-OE1 3.32Å; K373-E401 PolarHBondContact NZ-OE1 2.98Å; L398-E401 WeakPolarHBondContact O-CA 3.48Å; L398-E401 WeakPolarHBondContact O-CB 3.3Å; L398-E401 PolarHBondContact O-N 2.87Å; I399-E401 PolarHBondContact O-N 2.9Å; E401-R404 IonicContact OE2-CZ 3.25Å; E401-R404 VanDerWaalsContact OE2-CZ 3.25Å; E401-R404 IonicContact OE2-NE 2.9Å; E401-R404 PolarHBondContact OE2-NE 3.47Å; E401-R404 IonicContact OE2-NH2 2.82Å; E401-R404 PolarHBondContact OE2-NH2 3.11Å; E401-S405 WeakPolarHBondContact O-CB 3.49Å; E401-S405 PolarHBondContact O-N 3.32Å; E401-S405 PolarHBondContact O-OG 3.41Å; E401-F426 HydrophobicContact CB-CE1 4.03Å; E401-F426 HydrophobicContact CB-CZ 3.95Å
402L97.5Very high94.9Very high4 Ų438.3 Ų38.32%0.02119%0.187CC..Hα-helixtrans-64.6-49.2176.2-178.2152.3000109.9F268 L398 I399 R404 S405 K406 F426 L444 C447 A448F268-L402 HydrophobicContact CZ-CD1 4.19Å; L398-L402 PolarHBondContact O-N 3.24Å; I399-L402 WeakPolarHBondContact O-CB 3.39Å; I399-L402 PolarHBondContact O-N 3.35Å; L402-R404 VanDerWaalsContact C-N 3.35Å; L402-R404 PolarHBondContact O-N 3.41Å; L402-S405 PolarHBondContact O-N 2.93Å; L402-K406 PolarHBondContact O-N 2.92Å; L402-F426 HydrophobicContact CB-CE2 3.91Å; L402-F426 HydrophobicContact CB-CZ 3.82Å; L402-F426 HydrophobicContact CG-CE2 4.36Å; L402-L444 HydrophobicContact CD1-CB 4.41Å; L402-L444 HydrophobicContact CD1-CD2 3.98Å; L402-L444 WeakPolarHBondContact CD1-O 3.44Å; L402-C447 HydrophobicContact CD1-CB 3.79Å; L402-A448 HydrophobicContact CD1-CB 4.43Å
403L97.5Very high95.2Very high70 Ų7043.2 Ų43.237%0.36621%0.212SC..Hα-helixtrans-63.6-40.7177.9-62.6177.7000111.6I399 K406 Q451I399-L403 HydrophobicContact CG2-CD1 3.93Å; I399-L403 HydrophobicContact CG2-CG 4.2Å; I399-L403 WeakPolarHBondContact O-CG 3.3Å; I399-L403 PolarHBondContact O-N 2.89Å; L403-K406 WeakPolarHBondContact O-CG 3.27Å; L403-K406 PolarHBondContact O-N 3.37Å; L403-Q451 HydrophobicContact CD2-CG 3.98Å; L403-Q451 VanDerWaalsContact CD2-OE1 3.26Å
404R96.8Very high95.3Very high102 Ų10244 Ų4439%0.38522%0.217SC..Hα-helixtrans-65.4-41.8176.7-171.7-172.161.356.525.6112.1P400 E401 L402 K406P400-R404 VanDerWaalsContact O-CB 3.24Å; P400-R404 WeakPolarHBondContact O-CB 3.25Å; P400-R404 PolarHBondContact O-N 2.86Å; E401-R404 IonicContact OE2-CZ 3.25Å; E401-R404 VanDerWaalsContact OE2-CZ 3.25Å; E401-R404 IonicContact OE2-NE 2.9Å; E401-R404 PolarHBondContact OE2-NE 3.47Å; E401-R404 IonicContact OE2-NH2 2.82Å; E401-R404 PolarHBondContact OE2-NH2 3.11Å; L402-R404 VanDerWaalsContact C-N 3.35Å; L402-R404 PolarHBondContact O-N 3.41Å; R404-K406 VanDerWaalsContact C-N 3.28Å
405S97Very high95.1Very high0 Ų049.3 Ų49.30%025%0.254CS..Hα-helixtrans-77.8-16.8-178-52.10000112.7E401 L402 Q422 T423 G424E401-S405 WeakPolarHBondContact O-CB 3.49Å; E401-S405 PolarHBondContact O-N 3.32Å; E401-S405 PolarHBondContact O-OG 3.41Å; L402-S405 PolarHBondContact O-N 2.93Å; S405-Q422 CarbonylContact O-C 3.58Å; S405-Q422 WeakPolarHBondContact O-CA 3.48Å; S405-T423 PolarHBondContact O-N 3.39Å; S405-T423 PolarHBondContact O-OG1 3.3Å; S405-G424 WeakPolarHBondContact CB-O 3.37Å
406K97.6Very high95.1Very high111 Ų11151.3 Ų51.348%0.48327%0.271SS..  trans56-164-178.8-56.4-177.3179.4-176.60111.5L402 L403 R404 T420L402-K406 PolarHBondContact O-N 2.92Å; L403-K406 WeakPolarHBondContact O-CG 3.27Å; L403-K406 PolarHBondContact O-N 3.37Å; R404-K406 VanDerWaalsContact C-N 3.28Å; K406-T420 HydrophobicContact CD-CG2 4.26Å
407Q98.2Very high95.3Very high7 Ų748.6 Ų48.63%0.03326%0.262CS..  trans-139.5168.6168.964.8-169.2-47.500107.7F266 S267 F268 T420 R421 A448F266-Q407 HydrophobicContact CD1-CG 3.99Å; S267-Q407 WeakPolarHBondContact O-CB 3.46Å; F268-Q407 HydrophobicContact CB-CB 4.15Å; F268-Q407 HydrophobicContact CD2-CB 4.15Å; Q407-T420 PolarHBondContact O-OG1 3.03Å; Q407-R421 CarbonylContact O-C 3.52Å; Q407-A448 PolarHBondContact NE2-O 2.91Å
408L98.5Very high95.4Very high0 Ų046.4 Ų46.40%025%0.253CS..EExtended strand (participates in β ladder)trans-69.8133.8170179.776.9000108.9L139 Q140 F266 S267 I410 I418 T420 R421L139-L408 HydrophobicContact CB-CD2 4.04Å; L139-L408 HydrophobicContact CD2-CD2 3.91Å; L139-L408 HydrophobicContact CG-CD2 3.65Å; Q140-L408 HydrophobicContact CB-CB 4.32Å; Q140-L408 HydrophobicContact CB-CD1 4.28Å; Q140-L408 HydrophobicContact CB-CD2 3.93Å; Q140-L408 HydrophobicContact CB-CG 4.41Å; Q140-L408 HydrophobicContact CG-CD1 4.18Å; F266-L408 VanDerWaalsContact CA-O 3.23Å; F266-L408 WeakPolarHBondContact CA-O 3.17Å; S267-L408 PolarHBondContact N-O 3.38Å; S267-L408 PolarHBondContact O-N 2.96Å; L408-I410 HydrophobicContact CD1-CG1 4.35Å; L408-I410 HydrophobicContact CD2-CD1 3.98Å; L408-I410 HydrophobicContact CD2-CG1 4.18Å; L408-I410 HydrophobicContact CG-CD1 4.43Å; L408-I410 HydrophobicContact CG-CG1 4.1Å; L408-I418 HydrophobicContact CD1-CG2 4.03Å; L408-T420 WeakPolarHBondContact CA-O 3.13Å; L408-R421 HydrophobicContact CD1-CG 4.23Å
409H98.3Very high95.5Very high5 Ų550.5 Ų50.52%0.02327%0.274CS..EExtended strand (participates in β ladder)trans-131.2121.7171.2179.3-169.2000109.5H264 R265 F266 I419 T420 E455H264-H409 AromaticContact CE1-NE2 3.9Å; H264-H409 AromaticContact CG-NE2 3.69Å; H264-H409 AromaticContact ND1-CE1 3.72Å; H264-H409 AromaticContact ND1-NE2 2.9Å; H264-H409 PolarHBondContact ND1-NE2 2.88Å; R265-H409 WeakPolarHBondContact O-CA 3.46Å; F266-H409 HydrophobicContact CD1-CB 3.87Å; F266-H409 AromaticContact CD1-CG 4Å; F266-H409 HydrophobicContact CE1-CB 3.61Å; F266-H409 AromaticContact CE1-CD2 3.5Å; F266-H409 AromaticContact CE1-CG 3.3Å; F266-H409 AromaticContact CE1-ND1 3.64Å; F266-H409 AromaticContact CE1-NE2 3.97Å; F266-H409 HydrophobicContact CZ-CB 4.44Å; F266-H409 AromaticContact CZ-CD2 3.43Å; F266-H409 VanDerWaalsContact CZ-CD2 3.43Å; F266-H409 WeakPolarHBondContact CZ-CD2 3.35Å; F266-H409 AromaticContact CZ-CE1 3.71Å; F266-H409 AromaticContact CZ-CG 3.69Å; F266-H409 AromaticContact CZ-ND1 3.84Å; F266-H409 AromaticContact CZ-NE2 3.49Å; F266-H409 WeakPolarHBondContact CZ-NE2 3.34Å; H409-I419 HydrophobicContact CB-CB 4.36Å; H409-I419 WeakPolarHBondContact CE1-CD1 3.35Å; H409-I419 PolarHBondContact O-N 3.33Å; H409-T420 VanDerWaalsContact CB-OG1 3.26Å; H409-T420 WeakPolarHBondContact CB-OG1 3.49Å; H409-T420 PolarHBondContact N-O 3.27Å; H409-T420 PolarHBondContact O-N 3.45Å; H409-E455 IonicContact CE1-OE1 2.75Å; H409-E455 IonicContact CG-OE1 3.91Å; H409-E455 IonicContact ND1-OE1 3.93Å; H409-E455 PolarHBondContact ND1-OE1 3.09Å
410I97.9Very high95.6Very high13 Ų1351.5 Ų51.57%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-117126.5174.1-51.3-178.3000108.8L139 R265 L408 M412 A416 T417 I418L139-I410 HydrophobicContact CD1-CD1 4.48Å; L139-I410 HydrophobicContact CD2-CD1 4.29Å; L139-I410 HydrophobicContact CG-CD1 4.26Å; R265-I410 HydrophobicContact CB-CB 4.39Å; R265-I410 PolarHBondContact N-O 3.31Å; R265-I410 PolarHBondContact O-N 3.32Å; L408-I410 HydrophobicContact CD1-CG1 4.35Å; L408-I410 HydrophobicContact CD2-CD1 3.98Å; L408-I410 HydrophobicContact CD2-CG1 4.18Å; L408-I410 HydrophobicContact CG-CD1 4.43Å; L408-I410 HydrophobicContact CG-CG1 4.1Å; I410-M412 HydrophobicContact CG2-SD 3.82Å; I410-A416 HydrophobicContact CG2-CB 4.16Å; I410-T417 WeakPolarHBondContact CA-O 3.41Å; I410-I418 HydrophobicContact CD1-CG1 4.48Å; I410-I418 HydrophobicContact CG1-CG1 4.2Å
411D96.4Very high95.6Very high29 Ų2953.3 Ų53.316%0.15528%0.278CS..EExtended strand (participates in β ladder)trans-92.2107.4170179.73.1000109.8H264 N413 N414 A416 T417 I419H264-D411 IonicContact CE1-OD1 3.35Å; D411-N413 VanDerWaalsContact C-N 3.31Å; D411-N413 WeakPolarHBondContact OD1-CA 3.42Å; D411-N413 WeakPolarHBondContact OD1-CB 3.48Å; D411-N413 PolarHBondContact OD1-N 3.49Å; D411-N413 PolarHBondContact OD1-ND2 2.82Å; D411-N414 PolarHBondContact OD1-N 3.34Å; D411-A416 CarbonylContact O-C 3.55Å; D411-A416 WeakPolarHBondContact O-CA 3.46Å; D411-A416 PolarHBondContact O-N 3.14Å; D411-T417 PolarHBondContact N-O 3.26Å; D411-T417 PolarHBondContact O-N 3.01Å; D411-T417 VanDerWaalsContact O-N 3.07Å; D411-I419 HydrophobicContact CB-CD1 3.59Å; D411-I419 HydrophobicContact CB-CG1 4.24Å
412M94.3Very high95.7Very high64 Ų6452.6 Ų52.632%0.31528%0.275SS..SBendtrans-76.3-19178.3-55.9-62.2-55.200112.6G263 R265 I410 N414 A416G263-M412 WeakPolarHBondContact O-CA 3.38Å; G263-M412 WeakPolarHBondContact O-CB 3.49Å; G263-M412 WeakPolarHBondContact O-CG 3.45Å; G263-M412 PolarHBondContact O-N 3.03Å; R265-M412 HydrophobicContact CG-CG 3.91Å; R265-M412 HydrophobicContact CG-SD 4.4Å; I410-M412 HydrophobicContact CG2-SD 3.82Å; M412-N414 VanDerWaalsContact C-N 3.27Å; M412-A416 HydrophobicContact CE-CB 3.82Å; M412-A416 HydrophobicContact SD-CB 3.78Å
413N91.4Very high95.7Very high112 Ų11256.1 Ų56.160%0.59930%0.296SS*.SBendtrans-71.5-28177.3-57-49.1000111.2S262 D411S262-N413 PolarHBondContact O-ND2 2.94Å; S262-N413 VanDerWaalsContact O-ND2 3.11Å; D411-N413 VanDerWaalsContact C-N 3.31Å; D411-N413 WeakPolarHBondContact OD1-CA 3.42Å; D411-N413 WeakPolarHBondContact OD1-CB 3.48Å; D411-N413 PolarHBondContact OD1-N 3.49Å; D411-N413 PolarHBondContact OD1-ND2 2.82Å
414N87.5Confident95.7Very high95 Ų9552.8 Ų52.851%0.50828%0.279SS..SBendtrans-108.363.7178.4-170.528.2000111.9D411 M412 A416 T417D411-N414 PolarHBondContact OD1-N 3.34Å; M412-N414 VanDerWaalsContact C-N 3.27Å; N414-A416 VanDerWaalsContact C-N 3.25Å; N414-A416 PolarHBondContact O-N 3.32Å; N414-A416 VanDerWaalsContact O-N 3.15Å; N414-T417 WeakPolarHBondContact O-CG2 3.47Å; N414-T417 PolarHBondContact O-N 2.87Å; N414-T417 PolarHBondContact O-OG1 3.02Å
415S87.4Confident95.8Very high115 Ų11548 Ų4880%0.80426%0.261SS*.THydrogen-bonded Turntrans54.934.5176.3-54.10000115T417S415-T417 PolarHBondContact O-N 3.07Å
416A90.9Very high95.9Very high46 Ų4648.1 Ų48.138%0.3826%0.261SS..THydrogen-bonded Turntrans57.541.1-177.700000113.9I410 D411 M412 N414I410-A416 HydrophobicContact CG2-CB 4.16Å; D411-A416 CarbonylContact O-C 3.55Å; D411-A416 WeakPolarHBondContact O-CA 3.46Å; D411-A416 PolarHBondContact O-N 3.14Å; M412-A416 HydrophobicContact CE-CB 3.82Å; M412-A416 HydrophobicContact SD-CB 3.78Å; N414-A416 VanDerWaalsContact C-N 3.25Å; N414-A416 PolarHBondContact O-N 3.32Å; N414-A416 VanDerWaalsContact O-N 3.15Å
417T95.3Very high95.9Very high53 Ų5343 Ų4333%0.32524%0.239SC..EExtended strand (participates in β ladder)trans-68.3133176.248.70000112.1I410 D411 N414 S415 I419I410-T417 WeakPolarHBondContact CA-O 3.41Å; D411-T417 PolarHBondContact N-O 3.26Å; D411-T417 PolarHBondContact O-N 3.01Å; D411-T417 VanDerWaalsContact O-N 3.07Å; N414-T417 WeakPolarHBondContact O-CG2 3.47Å; N414-T417 PolarHBondContact O-N 2.87Å; N414-T417 PolarHBondContact O-OG1 3.02Å; S415-T417 PolarHBondContact O-N 3.07Å; T417-I419 PolarHBondContact O-N 3.21Å
418I96.3Very high95.8Very high52 Ų5242.8 Ų42.827%0.26724%0.238SC..EExtended strand (participates in β ladder)trans-80.1114.6173.4-59168.5000108.5L408 I410 R421L408-I418 HydrophobicContact CD1-CG2 4.03Å; I410-I418 HydrophobicContact CD1-CG1 4.48Å; I410-I418 HydrophobicContact CG1-CG1 4.2Å; I418-R421 VanDerWaalsContact CD1-NH2 3.26Å; I418-R421 HydrophobicContact CG2-CG 3.96Å
419I97Very high95.6Very high86 Ų8642.8 Ų42.844%0.44124%0.238SC..EExtended strand (participates in β ladder)trans-84-50178.7-65169.1000110.2H409 D411 T417H409-I419 HydrophobicContact CB-CB 4.36Å; H409-I419 WeakPolarHBondContact CE1-CD1 3.35Å; H409-I419 PolarHBondContact O-N 3.33Å; D411-I419 HydrophobicContact CB-CD1 3.59Å; D411-I419 HydrophobicContact CB-CG1 4.24Å; T417-I419 PolarHBondContact O-N 3.21Å
420T97.7Very high95.1Very high24 Ų2442.7 Ų42.715%0.14724%0.238CC..EExtended strand (participates in β ladder)trans-137.9154.5179.158.40000111K406 Q407 L408 H409K406-T420 HydrophobicContact CD-CG2 4.26Å; Q407-T420 PolarHBondContact O-OG1 3.03Å; L408-T420 WeakPolarHBondContact CA-O 3.13Å; H409-T420 VanDerWaalsContact CB-OG1 3.26Å; H409-T420 WeakPolarHBondContact CB-OG1 3.49Å; H409-T420 PolarHBondContact N-O 3.27Å; H409-T420 PolarHBondContact O-N 3.45Å
421R98Very high94.6Very high109 Ų10942.9 Ų42.941%0.41124%0.239SC..  trans-116.9148.2172.5-72.1-178.7171.174.8-2.6109.3D144 Q407 L408 I418 T423D144-R421 IonicContact OD1-CZ 3.87Å; D144-R421 VanDerWaalsContact OD1-CZ 3.25Å; D144-R421 IonicContact OD1-NE 3.25Å; D144-R421 PolarHBondContact OD1-NE 3.08Å; D144-R421 IonicContact OD1-NH2 2.85Å; D144-R421 PolarHBondContact OD1-NH2 3.29Å; D144-R421 IonicContact OD2-NE 3.38Å; Q407-R421 CarbonylContact O-C 3.52Å; L408-R421 HydrophobicContact CD1-CG 4.23Å; I418-R421 VanDerWaalsContact CD1-NH2 3.26Å; I418-R421 HydrophobicContact CG2-CG 3.96Å; R421-T423 PolarHBondContact O-N 2.74Å
422Q98.2Very high93.8Very high8 Ų842.1 Ų42.14%0.03724%0.235CC..  trans-73.1117.7166.9-170.4169.5-500109.3Q140 V269 S405 G424Q140-Q422 PolarHBondContact NE2-O 2.89Å; V269-Q422 PolarHBondContact O-NE2 3.36Å; S405-Q422 CarbonylContact O-C 3.58Å; S405-Q422 WeakPolarHBondContact O-CA 3.48Å; Q422-G424 WeakPolarHBondContact CG-O 3.29Å; Q422-G424 PolarHBondContact NE2-O 2.8Å
423T97.8Very high93.2Very high77 Ų7739.1 Ų39.147%0.47222%0.221SC..  trans-103.23.5-176.961.50000113.4R340 S405 R421R340-T423 PolarHBondContact N-O 2.87Å; S405-T423 PolarHBondContact O-N 3.39Å; S405-T423 PolarHBondContact O-OG1 3.3Å; R421-T423 PolarHBondContact O-N 2.74Å
424G97.9Very high92.8Very high0 Ų033.8 Ų33.80%019%0.192CC..EExtended strand (participates in β ladder)trans-165.6157175.300000112.8Y338 R340 S405 Q422Y338-G424 WeakPolarHBondContact O-CA 3.38Å; R340-G424 CarbonylContact O-C 3.56Å; R340-G424 WeakPolarHBondContact O-CA 3.48Å; S405-G424 WeakPolarHBondContact CB-O 3.37Å; Q422-G424 WeakPolarHBondContact CG-O 3.29Å; Q422-G424 PolarHBondContact NE2-O 2.8Å
425T98.4Very high92.5Very high3 Ų330.5 Ų30.52%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-128.3152.3-177.457.60000111.9V269 Y338 R340 Q341 T342V269-T425 HydrophobicContact CB-CG2 4.36Å; V269-T425 HydrophobicContact CG1-CG2 4.38Å; Y338-T425 HydrophobicContact CD1-CG2 4.1Å; R340-T425 PolarHBondContact O-N 3.17Å; Q341-T425 PolarHBondContact NE2-OG1 2.93Å; Q341-T425 PolarHBondContact OE1-OG1 2.69Å; Q341-T425 VanDerWaalsContact OE1-OG1 3.07Å; T342-T425 PolarHBondContact N-O 2.82Å
426F98.5Very high92.4Very high1 Ų126.1 Ų26.10%0.00414%0.14CC..EExtended strand (participates in β ladder)trans-85.6130.6169.5-64.6-87.6000110.2F268 L271 T342 I344 L398 E401 L402 L444F268-F426 HydrophobicContact CE2-CE2 4.48Å; F268-F426 AromaticContact CZ-CD2 3.99Å; F268-F426 HydrophobicContact CZ-CD2 3.99Å; F268-F426 HydrophobicContact CZ-CE2 4.13Å; L271-F426 PolarHBondContact N-O 2.78Å; T342-F426 HydrophobicContact CG2-CD1 3.67Å; T342-F426 HydrophobicContact CG2-CE1 3.69Å; T342-F426 CarbonylContact O-C 3.09Å; T342-F426 WeakPolarHBondContact O-CA 3.45Å; I344-F426 HydrophobicContact CD1-CB 4.09Å; I344-F426 HydrophobicContact CD1-CD1 3.77Å; I344-F426 HydrophobicContact CD1-CG 4.28Å; I344-F426 HydrophobicContact CG1-CD1 4.25Å; L398-F426 HydrophobicContact CB-CE1 4.14Å; L398-F426 HydrophobicContact CD2-CD1 4.34Å; L398-F426 HydrophobicContact CD2-CE1 3.96Å; E401-F426 HydrophobicContact CB-CE1 4.03Å; E401-F426 HydrophobicContact CB-CZ 3.95Å; L402-F426 HydrophobicContact CB-CE2 3.91Å; L402-F426 HydrophobicContact CB-CZ 3.82Å; L402-F426 HydrophobicContact CG-CE2 4.36Å; F426-L444 HydrophobicContact CB-CD1 4.12Å; F426-L444 HydrophobicContact CD1-CD1 4.03Å; F426-L444 HydrophobicContact CD2-CD1 4.07Å; F426-L444 HydrophobicContact CE1-CD1 4.45Å; F426-L444 HydrophobicContact CE1-CD2 4.44Å; F426-L444 HydrophobicContact CE2-CD2 4.37Å; F426-L444 HydrophobicContact CG-CD1 3.8Å; F426-L444 HydrophobicContact CZ-CD2 4.21Å
427R97.8Very high92.5Very high5 Ų523.9 Ų23.92%0.01912%0.122CC..EExtended strand (participates in β ladder)trans-112.6101173-174.3-171.1178.3-72.4-1.5109.3C249 L271 S274 H328 T342 I343 I344 Y360C249-R427 PolarHBondContact SG-NH2 3.34Å; L271-R427 HydrophobicContact CB-CB 4.3Å; L271-R427 HydrophobicContact CB-CG 4.25Å; L271-R427 WeakPolarHBondContact O-CA 3.43Å; S274-R427 PolarHBondContact O-NH2 3.03Å; H328-R427 PolarHBondContact NE2-NE 3.07Å; H328-R427 PolarHBondContact NE2-NH2 3.34Å; T342-R427 PolarHBondContact O-N 3.06Å; I343-R427 WeakPolarHBondContact CA-O 3.24Å; I344-R427 PolarHBondContact N-O 2.78Å; Y360-R427 PolarHBondContact OH-NH1 3.21Å
428S96.7Very high92.4Very high1 Ų121.4 Ų21.41%0.00711%0.107CC..EExtended strand (participates in β ladder)trans-92.1138.2-179.966.70000111.7L271 R272 G273 I344 T437 Q441L271-S428 PolarHBondContact O-N 2.94Å; R272-S428 VanDerWaalsContact CA-O 3.25Å; R272-S428 WeakPolarHBondContact CA-O 3.39Å; G273-S428 PolarHBondContact N-O 3.02Å; I344-S428 WeakPolarHBondContact O-CA 3.47Å; S428-T437 WeakPolarHBondContact OG-CB 3.48Å; S428-Q441 PolarHBondContact OG-NE2 2.97Å
429N93.6Very high92.1Very high0 Ų019.6 Ų19.60%010%0.098CC..EExtended strand (participates in β ladder)trans-136.3149.9172.768.1-86.4000110.8G273 I344 N345 L346 Y360G273-N429 WeakPolarHBondContact O-CB 3.21Å; I344-N429 PolarHBondContact O-N 2.89Å; I344-N429 PolarHBondContact O-OD1 2.95Å; N345-N429 PolarHBondContact OD1-ND2 3.19Å; L346-N429 WeakPolarHBondContact CB-O 3.42Å; L346-N429 PolarHBondContact N-O 3.16Å; Y360-N429 WeakPolarHBondContact CE1-OD1 3.4Å
430C87.6Confident91.8Very high4 Ų415.6 Ų15.63%0.0278%0.078CC..  trans-141.8-173.1162.1720000107.8L346 D432 C433 R436 T437L346-C430 HydrophobicContact CB-CB 4.06Å; C430-D432 VanDerWaalsContact C-N 3.27Å; C430-D432 PolarHBondContact O-N 3.25Å; C430-C433 PolarHBondContact O-N 3.36Å; C430-C433 WeakPolarHBondContact SG-CA 3.46Å; C430-C433 PolarHBondContact SG-N 3.01Å; C430-R436 HydrophobicContact CB-CB 4.25Å; C430-T437 HydrophobicContact CB-CG2 4.26Å
431I87Confident91.8Very high16 Ų1614.5 Ų14.58%0.0827%0.071CC..SBendtrans-59.1-39.4-175.1-16763.2000112.9W279 V291 L347 E353 L356W279-I431 HydrophobicContact CH2-CD1 3.55Å; W279-I431 HydrophobicContact CH2-CG1 4.43Å; W279-I431 HydrophobicContact CZ3-CD1 3.77Å; V291-I431 HydrophobicContact CG2-CD1 4.37Å; L347-I431 HydrophobicContact CD2-CB 3.89Å; L347-I431 HydrophobicContact CD2-CD1 4.16Å; E353-I431 HydrophobicContact CG-CB 4.38Å; E353-I431 HydrophobicContact CG-CD1 4.15Å; E353-I431 HydrophobicContact CG-CG1 4.31Å; E353-I431 WeakPolarHBondContact OE1-CG2 3.41Å; L356-I431 HydrophobicContact CD2-CD1 3.8Å
432D80.7Confident91.7Very high14 Ų1410 Ų108%0.0756%0.056CC..SBendtrans-104.2-16.5176.3-69.2-48.4000113.6R237 R241 N251 C430 L434 Y501R237-D432 IonicContact CZ-OD1 2.61Å; R237-D432 IonicContact CZ-OD2 3.85Å; R237-D432 VanDerWaalsContact CZ-OD2 3.28Å; R237-D432 IonicContact NE-OD1 3.95Å; R237-D432 PolarHBondContact NE-OD1 2.82Å; R237-D432 IonicContact NE-OD2 3.76Å; R237-D432 PolarHBondContact NE-OD2 2.75Å; R237-D432 IonicContact NH2-OD1 3.69Å; R237-D432 PolarHBondContact NH2-OD1 3.39Å; R237-D432 IonicContact NH2-OD2 2.75Å; R237-D432 PolarHBondContact NH2-OD2 2.93Å; R241-D432 IonicContact CZ-OD1 2.68Å; R241-D432 IonicContact NH2-OD1 3Å; R241-D432 PolarHBondContact NH2-OD1 3.45Å; N251-D432 PolarHBondContact ND2-O 3.18Å; C430-D432 VanDerWaalsContact C-N 3.27Å; C430-D432 PolarHBondContact O-N 3.25Å; D432-L434 VanDerWaalsContact C-N 3.27Å; D432-L434 HydrophobicContact CB-CB 4.31Å; D432-L434 HydrophobicContact CB-CD1 4.01Å; D432-L434 HydrophobicContact CB-CG 3.93Å; D432-L434 PolarHBondContact O-N 3.26Å; D432-Y501 WeakPolarHBondContact O-CE1 3.47Å
433C81.5Confident91.5Very high1 Ų110.4 Ų10.41%0.0076%0.058CC..SBendtrans58.732.9-171.3-163.20000114.4R272 G273 C430 T437R272-C433 WeakPolarHBondContact CB-SG 3.35Å; G273-C433 PolarHBondContact N-SG 3.07Å; G273-C433 PolarHBondContact O-SG 3.25Å; G273-C433 VanDerWaalsContact O-SG 3.38Å; C430-C433 PolarHBondContact O-N 3.36Å; C430-C433 WeakPolarHBondContact SG-CA 3.46Å; C430-C433 PolarHBondContact SG-N 3.01Å; C433-T437 PolarHBondContact O-OG1 2.85Å; C433-T437 VanDerWaalsContact O-OG1 3.1Å
434L82.2Confident91.4Very high0 Ų06.8 Ų6.80%04%0.036CC..SBendtrans-109.7-77.5-176.8-61.4178000113.3D432 T437 N438 C497 Y501 A502D432-L434 VanDerWaalsContact C-N 3.27Å; D432-L434 HydrophobicContact CB-CB 4.31Å; D432-L434 HydrophobicContact CB-CD1 4.01Å; D432-L434 HydrophobicContact CB-CG 3.93Å; D432-L434 PolarHBondContact O-N 3.26Å; L434-T437 PolarHBondContact O-OG1 3.03Å; L434-N438 WeakPolarHBondContact O-CB 3.1Å; L434-N438 PolarHBondContact O-N 3.15Å; L434-C497 HydrophobicContact CD2-CB 4.47Å; L434-Y501 HydrophobicContact CD1-CD1 4.07Å; L434-Y501 HydrophobicContact CD2-CD1 4.02Å; L434-Y501 HydrophobicContact CG-CD1 4.18Å; L434-A502 HydrophobicContact CD1-CB 4.14Å
435D81.1Confident91.4Very high26 Ų266.8 Ų6.814%0.1394%0.036CC..Hα-helixtrans-79-51.6-164.5-47.7-43.8000112.1N438 V439 A506 L507D435-N438 PolarHBondContact O-N 3.5Å; D435-V439 PolarHBondContact O-N 3.27Å; D435-A506 WeakPolarHBondContact OD1-CB 3.44Å; D435-L507 PolarHBondContact OD1-N 3.42Å
436R86.9Confident91.3Very high22 Ų226.9 Ų6.98%0.0834%0.036CC..Hα-helixtrans-67.8-39.1-175.3-53.9176.3-159.2170.83.9112.4L346 D348 E353 F379 H380 C430 N438 V439 V440L346-R436 HydrophobicContact CB-CB 4.28Å; L346-R436 HydrophobicContact CD1-CB 3.89Å; L346-R436 WeakPolarHBondContact CD1-O 3.4Å; L346-R436 PolarHBondContact O-NH1 2.81Å; D348-R436 IonicContact OD1-CZ 3.45Å; D348-R436 IonicContact OD1-NH1 3.38Å; D348-R436 PolarHBondContact OD1-NH1 3.33Å; D348-R436 IonicContact OD1-NH2 3.4Å; D348-R436 PolarHBondContact OD1-NH2 3.23Å; D348-R436 IonicContact OD2-NH2 3.97Å; D348-R436 PolarHBondContact OD2-NH2 3.42Å; E353-R436 IonicContact OE1-NH2 2.71Å; E353-R436 IonicContact OE2-NH1 2.89Å; E353-R436 PolarHBondContact OE2-NH1 3.2Å; F379-R436 HydrophobicContact CD1-CB 4.46Å; F379-R436 HydrophobicContact CD1-CG 3.94Å; F379-R436 HydrophobicContact CD2-CB 4.21Å; F379-R436 HydrophobicContact CE1-CG 4.21Å; F379-R436 HydrophobicContact CE2-CB 4.33Å; F379-R436 HydrophobicContact CG-CB 4.25Å; F379-R436 HydrophobicContact CG-CG 4.1Å; H380-R436 PolarHBondContact CD2-NH2 3.32Å; H380-R436 PolarHBondContact NE2-NH2 3.01Å; C430-R436 HydrophobicContact CB-CB 4.25Å; R436-N438 VanDerWaalsContact C-N 3.34Å; R436-V439 PolarHBondContact O-N 2.92Å; R436-V440 PolarHBondContact O-N 3.31Å
437T92.1Very high91.3Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-65.4-39.717947.50000111L346 S428 C430 C433 L434 V439 V440 Q441L346-T437 HydrophobicContact CD1-CG2 4.21Å; S428-T437 WeakPolarHBondContact OG-CB 3.48Å; C430-T437 HydrophobicContact CB-CG2 4.26Å; C433-T437 PolarHBondContact O-OG1 2.85Å; C433-T437 VanDerWaalsContact O-OG1 3.1Å; L434-T437 PolarHBondContact O-OG1 3.03Å; T437-V439 VanDerWaalsContact C-N 3.35Å; T437-V439 PolarHBondContact O-N 3.12Å; T437-V440 PolarHBondContact O-N 2.88Å; T437-Q441 VanDerWaalsContact O-CB 3.31Å; T437-Q441 WeakPolarHBondContact O-CB 3.47Å; T437-Q441 VanDerWaalsContact O-CG 3.3Å; T437-Q441 WeakPolarHBondContact O-CG 3.44Å; T437-Q441 PolarHBondContact O-N 3.45Å
438N93.5Very high91.3Very high1 Ų16.8 Ų6.81%0.0054%0.036CC..Hα-helixtrans-63.3-38.8177.4-165.679.3000113.2R272 L434 D435 R436 S442 W490 N493 A494R272-N438 PolarHBondContact NH2-OD1 2.81Å; R272-N438 VanDerWaalsContact NH2-OD1 3.08Å; L434-N438 WeakPolarHBondContact O-CB 3.1Å; L434-N438 PolarHBondContact O-N 3.15Å; D435-N438 PolarHBondContact O-N 3.5Å; R436-N438 VanDerWaalsContact C-N 3.34Å; N438-S442 VanDerWaalsContact O-CB 3.32Å; N438-S442 WeakPolarHBondContact O-CB 3.24Å; N438-S442 PolarHBondContact O-N 3.26Å; N438-S442 PolarHBondContact O-OG 3.35Å; N438-W490 PolarHBondContact ND2-O 2.69Å; N438-W490 PolarHBondContact OD1-O 2.87Å; N438-N493 PolarHBondContact OD1-ND2 2.94Å; N438-A494 HydrophobicContact CB-CB 4Å
439V89.4Confident91.3Very high14 Ų146.8 Ų6.89%0.0854%0.036CC..Hα-helixtrans-60.3-55.1175.9174.90000110F379 L391 D435 R436 T437 Q441 S442 M443 F511F379-V439 HydrophobicContact CE2-CB 4.47Å; F379-V439 HydrophobicContact CE2-CG1 4.38Å; F379-V439 HydrophobicContact CZ-CB 4.38Å; F379-V439 HydrophobicContact CZ-CG1 4.31Å; L391-V439 HydrophobicContact CD1-CG1 3.96Å; D435-V439 PolarHBondContact O-N 3.27Å; R436-V439 PolarHBondContact O-N 2.92Å; T437-V439 VanDerWaalsContact C-N 3.35Å; T437-V439 PolarHBondContact O-N 3.12Å; V439-Q441 PolarHBondContact O-N 3.09Å; V439-S442 PolarHBondContact O-N 2.78Å; V439-S442 PolarHBondContact O-OG 2.96Å; V439-M443 HydrophobicContact CG1-SD 4.23Å; V439-M443 WeakPolarHBondContact O-CG 3.37Å; V439-M443 PolarHBondContact O-N 3.37Å; V439-M443 VanDerWaalsContact O-N 3.14Å; V439-F511 HydrophobicContact CG1-CE1 4.34Å; V439-F511 HydrophobicContact CG2-CD1 4.46Å
440V92.1Very high91.5Very high2 Ų26.8 Ų6.81%0.0124%0.036CC..Hα-helixtrans-64.1-42.5-177.7178.50000112I344 L346 F379 L394 L398 R436 T437 S442 M443 L444I344-V440 HydrophobicContact CD1-CG1 3.93Å; I344-V440 HydrophobicContact CG2-CG1 4.36Å; L346-V440 HydrophobicContact CD1-CB 4.3Å; L346-V440 HydrophobicContact CD1-CG2 3.74Å; L346-V440 HydrophobicContact CD2-CG2 4.12Å; F379-V440 HydrophobicContact CE2-CG2 4.38Å; L394-V440 HydrophobicContact CD2-CG1 4.16Å; L394-V440 HydrophobicContact CD2-CG2 3.96Å; L398-V440 HydrophobicContact CD1-CG1 4.28Å; R436-V440 PolarHBondContact O-N 3.31Å; T437-V440 PolarHBondContact O-N 2.88Å; V440-S442 VanDerWaalsContact C-N 3.32Å; V440-S442 PolarHBondContact O-N 2.88Å; V440-M443 PolarHBondContact O-N 3.03Å; V440-L444 HydrophobicContact CG1-CD1 4.15Å; V440-L444 PolarHBondContact O-N 3.31Å
441Q96Very high91.9Very high0 Ų08.9 Ų8.90%05%0.046CC..Hα-helixtrans-64.8-35177.9-73.5-170.4-41.500112.8Q270 L271 S428 T437 V439 S445 W490Q270-Q441 PolarHBondContact NE2-O 3.31Å; L271-Q441 PolarHBondContact O-NE2 2.85Å; S428-Q441 PolarHBondContact OG-NE2 2.97Å; T437-Q441 VanDerWaalsContact O-CB 3.31Å; T437-Q441 WeakPolarHBondContact O-CB 3.47Å; T437-Q441 VanDerWaalsContact O-CG 3.3Å; T437-Q441 WeakPolarHBondContact O-CG 3.44Å; T437-Q441 PolarHBondContact O-N 3.45Å; V439-Q441 PolarHBondContact O-N 3.09Å; Q441-S445 VanDerWaalsContact O-CB 3.27Å; Q441-S445 WeakPolarHBondContact O-CB 3.46Å; Q441-S445 PolarHBondContact O-N 2.84Å; Q441-S445 PolarHBondContact O-OG 3.03Å; Q441-W490 HydrophobicContact CB-CH2 3.86Å; Q441-W490 HydrophobicContact CB-CZ3 3.67Å
442S95.7Very high92.4Very high15 Ų158.1 Ų8.111%0.1054%0.042CC..Hα-helixtrans-67-37.617569.50000112.2N438 V439 V440 S445 W446 F486 W490N438-S442 VanDerWaalsContact O-CB 3.32Å; N438-S442 WeakPolarHBondContact O-CB 3.24Å; N438-S442 PolarHBondContact O-N 3.26Å; N438-S442 PolarHBondContact O-OG 3.35Å; V439-S442 PolarHBondContact O-N 2.78Å; V439-S442 PolarHBondContact O-OG 2.96Å; V440-S442 VanDerWaalsContact C-N 3.32Å; V440-S442 PolarHBondContact O-N 2.88Å; S442-S445 PolarHBondContact O-N 2.99Å; S442-W446 PolarHBondContact O-N 3.25Å; S442-F486 WeakPolarHBondContact O-CZ 3.34Å; S442-W490 VanDerWaalsContact CB-CG 3.42Å
443M94.2Very high93Very high17 Ų177.5 Ų7.58%0.0844%0.038CC..Hα-helixtrans-65.8-46.4175.3-67.6174.556.100112L391 L395 V439 V440 S445 W446 C447 A467L391-M443 HydrophobicContact CB-CE 3.71Å; L391-M443 HydrophobicContact CB-SD 4.02Å; L391-M443 HydrophobicContact CD1-SD 3.77Å; L391-M443 HydrophobicContact CG-SD 4.38Å; L395-M443 HydrophobicContact CD1-CE 3.24Å; L395-M443 HydrophobicContact CD2-CB 4.23Å; L395-M443 HydrophobicContact CD2-CE 4.04Å; L395-M443 HydrophobicContact CG-CE 3.52Å; V439-M443 HydrophobicContact CG1-SD 4.23Å; V439-M443 WeakPolarHBondContact O-CG 3.37Å; V439-M443 PolarHBondContact O-N 3.37Å; V439-M443 VanDerWaalsContact O-N 3.14Å; V440-M443 PolarHBondContact O-N 3.03Å; M443-S445 VanDerWaalsContact C-N 3.27Å; M443-S445 PolarHBondContact O-N 2.88Å; M443-W446 PolarHBondContact O-N 3.43Å; M443-C447 PolarHBondContact O-N 3.4Å; M443-C447 PolarHBondContact O-SG 3.12Å; M443-A467 HydrophobicContact CE-CB 3.8Å; M443-A467 HydrophobicContact SD-CB 4.02Å
444L97Very high93.7Very high0 Ų09.1 Ų9.10%05%0.046CC..Hα-helixtrans-61.5-38.1175.4-71.2170.1000111.9F268 Q270 I344 L395 L398 L402 F426 V440 C447 A448F268-L444 HydrophobicContact CE1-CB 4.35Å; Q270-L444 VanDerWaalsContact OE1-CD1 3.31Å; I344-L444 HydrophobicContact CD1-CD1 3.7Å; L395-L444 HydrophobicContact CD2-CD2 4.24Å; L398-L444 HydrophobicContact CB-CD2 3.99Å; L398-L444 HydrophobicContact CD1-CD1 4.33Å; L398-L444 HydrophobicContact CD1-CD2 4.17Å; L402-L444 HydrophobicContact CD1-CB 4.41Å; L402-L444 HydrophobicContact CD1-CD2 3.98Å; L402-L444 WeakPolarHBondContact CD1-O 3.44Å; F426-L444 HydrophobicContact CB-CD1 4.12Å; F426-L444 HydrophobicContact CD1-CD1 4.03Å; F426-L444 HydrophobicContact CD2-CD1 4.07Å; F426-L444 HydrophobicContact CE1-CD1 4.45Å; F426-L444 HydrophobicContact CE1-CD2 4.44Å; F426-L444 HydrophobicContact CE2-CD2 4.37Å; F426-L444 HydrophobicContact CG-CD1 3.8Å; F426-L444 HydrophobicContact CZ-CD2 4.21Å; V440-L444 HydrophobicContact CG1-CD1 4.15Å; V440-L444 PolarHBondContact O-N 3.31Å; L444-C447 WeakPolarHBondContact O-CB 3.11Å; L444-C447 PolarHBondContact O-N 2.91Å; L444-A448 PolarHBondContact O-N 3.36Å
445S97.7Very high94.3Very high1 Ų112.6 Ų12.61%0.0076%0.063CC..Hα-helixtrans-65-40177.2-62.30000112.2Q257 Q270 Q441 S442 M443 A448 L449 W490Q257-S445 PolarHBondContact NE2-O 2.75Å; Q257-S445 PolarHBondContact OE1-O 3.4Å; Q257-S445 VanDerWaalsContact OE1-O 3.06Å; Q270-S445 PolarHBondContact NE2-OG 3.31Å; Q441-S445 VanDerWaalsContact O-CB 3.27Å; Q441-S445 WeakPolarHBondContact O-CB 3.46Å; Q441-S445 PolarHBondContact O-N 2.84Å; Q441-S445 PolarHBondContact O-OG 3.03Å; S442-S445 PolarHBondContact O-N 2.99Å; M443-S445 VanDerWaalsContact C-N 3.27Å; M443-S445 PolarHBondContact O-N 2.88Å; S445-A448 PolarHBondContact O-N 3.03Å; S445-L449 WeakPolarHBondContact O-CB 3.01Å; S445-L449 PolarHBondContact O-N 2.79Å; S445-W490 VanDerWaalsContact CB-CZ2 3.42Å; S445-W490 WeakPolarHBondContact OG-CH2 3.46Å; S445-W490 WeakPolarHBondContact OG-CZ2 3.33Å
446W96.9Very high94.9Very high5 Ų513.1 Ų13.12%0.0197%0.065CC..Hα-helixtrans-62-44.7171.8-171.6-89.9000111.8S442 M443 A448 L449 E450 S470 S473 L475 F482 F486S442-W446 PolarHBondContact O-N 3.25Å; M443-W446 PolarHBondContact O-N 3.43Å; W446-A448 VanDerWaalsContact C-N 3.33Å; W446-A448 PolarHBondContact O-N 2.93Å; W446-L449 HydrophobicContact CE3-CD2 4.45Å; W446-L449 HydrophobicContact CZ3-CD2 4.44Å; W446-L449 WeakPolarHBondContact O-CB 3.17Å; W446-L449 PolarHBondContact O-N 2.61Å; W446-L449 VanDerWaalsContact O-N 3.17Å; W446-E450 VanDerWaalsContact NE1-CD 3.31Å; W446-E450 PolarHBondContact NE1-OE1 3.09Å; W446-E450 PolarHBondContact O-N 2.83Å; W446-S470 VanDerWaalsContact CE2-CA 3.44Å; W446-S470 VanDerWaalsContact CZ2-CA 3.49Å; W446-S473 WeakPolarHBondContact CZ2-OG 3.31Å; W446-S473 PolarHBondContact NE1-OG 3.34Å; W446-L475 HydrophobicContact CH2-CD2 4.11Å; W446-L475 HydrophobicContact CH2-CG 4.33Å; W446-L475 HydrophobicContact CZ2-CB 3.93Å; W446-L475 HydrophobicContact CZ2-CD2 3.65Å; W446-L475 HydrophobicContact CZ2-CG 3.91Å; W446-F482 HydrophobicContact CH2-CD1 4.04Å; W446-F482 HydrophobicContact CH2-CE1 4.16Å; W446-F482 HydrophobicContact CZ3-CD1 4.03Å; W446-F482 AromaticContact CZ3-CE1 3.81Å; W446-F482 HydrophobicContact CZ3-CE1 3.81Å; W446-F486 HydrophobicContact CB-CE1 4.22Å; W446-F486 HydrophobicContact CB-CZ 4Å; W446-F486 HydrophobicContact CE3-CB 4.43Å; W446-F486 AromaticContact CE3-CD1 3.64Å; W446-F486 HydrophobicContact CE3-CD1 3.64Å; W446-F486 AromaticContact CE3-CD2 3.92Å; W446-F486 HydrophobicContact CE3-CD2 3.92Å; W446-F486 AromaticContact CE3-CE1 3.76Å; W446-F486 HydrophobicContact CE3-CE1 3.76Å; W446-F486 HydrophobicContact CE3-CE2 4Å; W446-F486 AromaticContact CE3-CG 3.74Å; W446-F486 HydrophobicContact CE3-CG 3.74Å; W446-F486 AromaticContact CE3-CZ 3.93Å; W446-F486 HydrophobicContact CE3-CZ 3.93Å; W446-F486 HydrophobicContact CZ3-CB 4Å; W446-F486 HydrophobicContact CZ3-CD1 4.04Å; W446-F486 HydrophobicContact CZ3-CD2 4.15Å; W446-F486 AromaticContact CZ3-CG 3.8Å; W446-F486 HydrophobicContact CZ3-CG 3.8Å
447C97.3Very high95.1Very high3 Ų314.8 Ų14.82%0.029%0.089CC..Hα-helixtrans-61.3-41.6176.5-61.20000111.6L402 M443 L444 L449 E450 Q451 V463L402-C447 HydrophobicContact CD1-CB 3.79Å; M443-C447 PolarHBondContact O-N 3.4Å; M443-C447 PolarHBondContact O-SG 3.12Å; L444-C447 WeakPolarHBondContact O-CB 3.11Å; L444-C447 PolarHBondContact O-N 2.91Å; C447-L449 VanDerWaalsContact C-N 3.33Å; C447-L449 PolarHBondContact O-N 2.87Å; C447-E450 PolarHBondContact O-N 2.97Å; C447-Q451 WeakPolarHBondContact O-CB 3.12Å; C447-Q451 PolarHBondContact O-N 3.47Å; C447-V463 HydrophobicContact CB-CB 4.48Å; C447-V463 WeakPolarHBondContact O-CG1 3.18Å
448A98.1Very high95Very high1 Ų116.3 Ų16.31%0.00810%0.097CC..Hα-helixtrans-64.8-36.8175.600000112.1F268 L402 Q407 L444 S445 W446 Q451 A452F268-A448 HydrophobicContact CB-CB 4.06Å; F268-A448 HydrophobicContact CD1-CB 3.54Å; F268-A448 HydrophobicContact CD2-CB 3.98Å; F268-A448 HydrophobicContact CE1-CB 3.87Å; F268-A448 HydrophobicContact CE2-CB 4.3Å; F268-A448 HydrophobicContact CG-CB 3.59Å; F268-A448 HydrophobicContact CZ-CB 4.24Å; L402-A448 HydrophobicContact CD1-CB 4.43Å; Q407-A448 PolarHBondContact NE2-O 2.91Å; L444-A448 PolarHBondContact O-N 3.36Å; S445-A448 PolarHBondContact O-N 3.03Å; W446-A448 VanDerWaalsContact C-N 3.33Å; W446-A448 PolarHBondContact O-N 2.93Å; A448-Q451 PolarHBondContact O-N 3.32Å; A448-A452 PolarHBondContact O-N 2.94Å
449L97.2Very high94.8Very high0 Ų017 Ų170%010%0.101CC..Hα-helixtrans-65.6-45.9174.9179.864.8000111.7Y223 V259 S445 W446 C447 Q451 A452 M453 L475 F482Y223-L449 HydrophobicContact CD2-CD2 4.31Å; Y223-L449 HydrophobicContact CE2-CD2 4.39Å; V259-L449 HydrophobicContact CB-CD1 4.43Å; V259-L449 HydrophobicContact CG1-CD1 4.03Å; V259-L449 HydrophobicContact CG2-CD1 3.52Å; S445-L449 WeakPolarHBondContact O-CB 3.01Å; S445-L449 PolarHBondContact O-N 2.79Å; W446-L449 HydrophobicContact CE3-CD2 4.45Å; W446-L449 HydrophobicContact CZ3-CD2 4.44Å; W446-L449 WeakPolarHBondContact O-CB 3.17Å; W446-L449 PolarHBondContact O-N 2.61Å; W446-L449 VanDerWaalsContact O-N 3.17Å; C447-L449 VanDerWaalsContact C-N 3.33Å; C447-L449 PolarHBondContact O-N 2.87Å; L449-Q451 VanDerWaalsContact C-N 3.31Å; L449-Q451 PolarHBondContact O-N 3.26Å; L449-A452 WeakPolarHBondContact O-CB 3.45Å; L449-A452 PolarHBondContact O-N 3.09Å; L449-M453 HydrophobicContact CD1-CE 3.77Å; L449-M453 WeakPolarHBondContact O-CG 3.43Å; L449-M453 PolarHBondContact O-N 3.04Å; L449-M453 VanDerWaalsContact O-N 3.07Å; L449-L475 HydrophobicContact CB-CD2 4.44Å; L449-L475 HydrophobicContact CD2-CD2 3.82Å; L449-L475 HydrophobicContact CG-CD2 3.78Å; L449-F482 HydrophobicContact CD2-CE1 3.53Å; L449-F482 HydrophobicContact CD2-CZ 3.83Å
450E96.4Very high94.8Very high1 Ų124.9 Ų24.91%0.00514%0.137CC..Hα-helixtrans-60-43173.7-74.7179158.500111.4W446 C447 A452 M453 I454 L459 V463 S464 S473 L475W446-E450 VanDerWaalsContact NE1-CD 3.31Å; W446-E450 PolarHBondContact NE1-OE1 3.09Å; W446-E450 PolarHBondContact O-N 2.83Å; C447-E450 PolarHBondContact O-N 2.97Å; E450-A452 VanDerWaalsContact C-N 3.31Å; E450-A452 PolarHBondContact O-N 3.3Å; E450-M453 PolarHBondContact O-N 3.39Å; E450-M453 VanDerWaalsContact O-N 3.16Å; E450-I454 VanDerWaalsContact O-CG1 3.31Å; E450-I454 WeakPolarHBondContact O-CG1 3.48Å; E450-I454 PolarHBondContact O-N 2.93Å; E450-L459 HydrophobicContact CB-CD2 4.11Å; E450-L459 HydrophobicContact CG-CD2 4.16Å; E450-V463 HydrophobicContact CB-CG1 4.11Å; E450-S464 VanDerWaalsContact CD-OG 3.29Å; E450-S464 WeakPolarHBondContact OE1-CB 3.22Å; E450-S464 PolarHBondContact OE1-OG 3.24Å; E450-S464 WeakPolarHBondContact OE2-CB 3.33Å; E450-S464 PolarHBondContact OE2-N 2.9Å; E450-S464 PolarHBondContact OE2-OG 3.27Å; E450-S464 VanDerWaalsContact OE2-OG 3.14Å; E450-S473 WeakPolarHBondContact OE1-CB 3.3Å; E450-S473 PolarHBondContact OE1-OG 3.27Å; E450-L475 HydrophobicContact CB-CD2 4.43Å; E450-L475 HydrophobicContact CG-CB 3.96Å; E450-L475 HydrophobicContact CG-CD2 3.51Å; E450-L475 HydrophobicContact CG-CG 4.33Å
451Q97.4Very high94.8Very high48 Ų4827.5 Ų27.522%0.22416%0.164CC..Hα-helixtrans-61.2-40.8177.1-176.455.834.500111.9L403 C447 A448 L449 M453 I454 E455 V463L403-Q451 HydrophobicContact CD2-CG 3.98Å; L403-Q451 VanDerWaalsContact CD2-OE1 3.26Å; C447-Q451 WeakPolarHBondContact O-CB 3.12Å; C447-Q451 PolarHBondContact O-N 3.47Å; A448-Q451 PolarHBondContact O-N 3.32Å; L449-Q451 VanDerWaalsContact C-N 3.31Å; L449-Q451 PolarHBondContact O-N 3.26Å; Q451-M453 VanDerWaalsContact C-N 3.34Å; Q451-M453 PolarHBondContact O-N 2.94Å; Q451-I454 PolarHBondContact O-N 3.26Å; Q451-E455 WeakPolarHBondContact O-CB 3.39Å; Q451-E455 PolarHBondContact O-N 2.95Å; Q451-V463 HydrophobicContact CB-CG1 3.78Å
452A96.5Very high94.6Very high0 Ų032.2 Ų32.20%019%0.193CC..Hα-helixtrans-60.2-44.8174.700000111.1F266 A448 L449 E450 I454 E455 I456F266-A452 HydrophobicContact CB-CB 4.39Å; F266-A452 HydrophobicContact CD1-CB 3.67Å; F266-A452 HydrophobicContact CD2-CB 3.79Å; F266-A452 HydrophobicContact CE1-CB 3.79Å; F266-A452 HydrophobicContact CE2-CB 3.92Å; F266-A452 HydrophobicContact CG-CB 3.66Å; F266-A452 HydrophobicContact CZ-CB 3.92Å; A448-A452 PolarHBondContact O-N 2.94Å; L449-A452 WeakPolarHBondContact O-CB 3.45Å; L449-A452 PolarHBondContact O-N 3.09Å; E450-A452 VanDerWaalsContact C-N 3.31Å; E450-A452 PolarHBondContact O-N 3.3Å; A452-I454 VanDerWaalsContact C-N 3.35Å; A452-I454 PolarHBondContact O-N 3.42Å; A452-E455 PolarHBondContact O-N 3.06Å; A452-I456 WeakPolarHBondContact O-CG1 3.31Å; A452-I456 PolarHBondContact O-N 3.12Å
453M94.7Very high94.5Very high0 Ų031.6 Ų31.60%019%0.189CC..Hα-helixtrans-66.8-34.4178.2-63.6-44.1118.500113.2V259 I261 L449 E450 Q451 I456 G457 I458 L459 L475 W479V259-M453 HydrophobicContact CG1-CE 3.84Å; I261-M453 HydrophobicContact CD1-SD 4.19Å; I261-M453 HydrophobicContact CG2-CE 4.02Å; I261-M453 HydrophobicContact CG2-SD 4.39Å; L449-M453 HydrophobicContact CD1-CE 3.77Å; L449-M453 WeakPolarHBondContact O-CG 3.43Å; L449-M453 PolarHBondContact O-N 3.04Å; L449-M453 VanDerWaalsContact O-N 3.07Å; E450-M453 PolarHBondContact O-N 3.39Å; E450-M453 VanDerWaalsContact O-N 3.16Å; Q451-M453 VanDerWaalsContact C-N 3.34Å; Q451-M453 PolarHBondContact O-N 2.94Å; M453-I456 HydrophobicContact SD-CD1 4.07Å; M453-G457 PolarHBondContact O-N 3.2Å; M453-I458 HydrophobicContact CB-CB 4.19Å; M453-I458 HydrophobicContact CB-CG2 4.24Å; M453-I458 HydrophobicContact CG-CG2 4.43Å; M453-I458 PolarHBondContact O-N 3.46Å; M453-I458 HydrophobicContact SD-CB 4.39Å; M453-I458 HydrophobicContact SD-CD1 4.03Å; M453-I458 HydrophobicContact SD-CG2 4.33Å; M453-L459 HydrophobicContact CB-CB 3.81Å; M453-L459 PolarHBondContact O-N 3.35Å; M453-L475 HydrophobicContact CB-CD1 4.31Å; M453-L475 HydrophobicContact CG-CD1 3.67Å; M453-W479 HydrophobicContact CG-CH2 4.05Å; M453-W479 HydrophobicContact CG-CZ3 4.29Å; M453-W479 HydrophobicContact SD-CH2 3.62Å; M453-W479 HydrophobicContact SD-CZ3 4.32Å
454I95.1Very high94.5Very high35 Ų3531.9 Ų31.918%0.17919%0.193CC..Hα-helixtrans-65.8-44.1173.5-67.9161.4000110.3E450 Q451 A452 I456 G457 L459 V463E450-I454 VanDerWaalsContact O-CG1 3.31Å; E450-I454 WeakPolarHBondContact O-CG1 3.48Å; E450-I454 PolarHBondContact O-N 2.93Å; Q451-I454 PolarHBondContact O-N 3.26Å; A452-I454 VanDerWaalsContact C-N 3.35Å; A452-I454 PolarHBondContact O-N 3.42Å; I454-I456 VanDerWaalsContact C-N 3.29Å; I454-I456 PolarHBondContact O-N 3.36Å; I454-G457 PolarHBondContact O-N 2.92Å; I454-L459 WeakPolarHBondContact CA-O 3.35Å; I454-L459 HydrophobicContact CD1-CD2 4.24Å; I454-L459 HydrophobicContact CG1-CB 3.91Å; I454-L459 HydrophobicContact CG1-CD2 3.95Å; I454-L459 HydrophobicContact CG1-CG 3.88Å; I454-V463 HydrophobicContact CD1-CG1 4.25Å
455E95Very high94.1Very high73 Ų7337.2 Ų37.234%0.34121%0.213SC..Hα-helixtrans-61.4-35.5-178.1-171.5170.4154.300112.9H409 Q451 A452H409-E455 IonicContact CE1-OE1 2.75Å; H409-E455 IonicContact CG-OE1 3.91Å; H409-E455 IonicContact ND1-OE1 3.93Å; H409-E455 PolarHBondContact ND1-OE1 3.09Å; Q451-E455 WeakPolarHBondContact O-CB 3.39Å; Q451-E455 PolarHBondContact O-N 2.95Å; A452-E455 PolarHBondContact O-N 3.06Å
456I93.1Very high93.6Very high38 Ų3840.6 Ų40.620%0.19523%0.233CC..THydrogen-bonded Turntrans-93.97.8176.665.2176.9000113.6I261 H264 F266 A452 M453 I454 I458I261-I456 HydrophobicContact CG2-CD1 3.79Å; H264-I456 HydrophobicContact CB-CG2 4.21Å; F266-I456 HydrophobicContact CE2-CD1 4.45Å; F266-I456 HydrophobicContact CE2-CG2 4.05Å; F266-I456 HydrophobicContact CZ-CG2 3.66Å; A452-I456 WeakPolarHBondContact O-CG1 3.31Å; A452-I456 PolarHBondContact O-N 3.12Å; M453-I456 HydrophobicContact SD-CD1 4.07Å; I454-I456 VanDerWaalsContact C-N 3.29Å; I454-I456 PolarHBondContact O-N 3.36Å; I456-I458 VanDerWaalsContact C-N 3.3Å; I456-I458 HydrophobicContact CD1-CD1 3.51Å; I456-I458 HydrophobicContact CD1-CG1 4.01Å; I456-I458 HydrophobicContact CG1-CB 4.33Å; I456-I458 HydrophobicContact CG1-CD1 4.03Å; I456-I458 HydrophobicContact CG1-CG1 3.96Å; I456-I458 PolarHBondContact O-N 3.43Å
457G91.6Very high92.9Very high57 Ų5741.9 Ų41.959%0.58825%0.245SC*.THydrogen-bonded Turntrans74.810.8174.600000115.8M453 I454M453-G457 PolarHBondContact O-N 3.2Å; I454-G457 PolarHBondContact O-N 2.92Å
458I89.4Confident92.3Very high31 Ų3145.4 Ų45.416%0.15926%0.264CS..SBendtrans-72.5-37.3173.6-72.9-177.9000111.1L217 I261 M453 I456 L478L217-I458 HydrophobicContact CD1-CG2 3.54Å; L217-I458 HydrophobicContact CD2-CD1 4.4Å; L217-I458 HydrophobicContact CD2-CG1 4.05Å; L217-I458 HydrophobicContact CD2-CG2 4.22Å; I261-I458 HydrophobicContact CD1-CD1 3.58Å; I261-I458 HydrophobicContact CG1-CD1 4.22Å; M453-I458 HydrophobicContact CB-CB 4.19Å; M453-I458 HydrophobicContact CB-CG2 4.24Å; M453-I458 HydrophobicContact CG-CG2 4.43Å; M453-I458 PolarHBondContact O-N 3.46Å; M453-I458 HydrophobicContact SD-CB 4.39Å; M453-I458 HydrophobicContact SD-CD1 4.03Å; M453-I458 HydrophobicContact SD-CG2 4.33Å; I456-I458 VanDerWaalsContact C-N 3.3Å; I456-I458 HydrophobicContact CD1-CD1 3.51Å; I456-I458 HydrophobicContact CD1-CG1 4.01Å; I456-I458 HydrophobicContact CG1-CB 4.33Å; I456-I458 HydrophobicContact CG1-CD1 4.03Å; I456-I458 HydrophobicContact CG1-CG1 3.96Å; I456-I458 PolarHBondContact O-N 3.43Å; I458-L478 HydrophobicContact CG2-CD1 4.11Å
459L90.7Very high91.8Very high17 Ų1745.5 Ų45.59%0.08927%0.265CS..SBendtrans-115.4149177.6-178.263.1000109.9E450 M453 I454 P474 L475 L478E450-L459 HydrophobicContact CB-CD2 4.11Å; E450-L459 HydrophobicContact CG-CD2 4.16Å; M453-L459 HydrophobicContact CB-CB 3.81Å; M453-L459 PolarHBondContact O-N 3.35Å; I454-L459 WeakPolarHBondContact CA-O 3.35Å; I454-L459 HydrophobicContact CD1-CD2 4.24Å; I454-L459 HydrophobicContact CG1-CB 3.91Å; I454-L459 HydrophobicContact CG1-CD2 3.95Å; I454-L459 HydrophobicContact CG1-CG 3.88Å; L459-P474 HydrophobicContact CD1-CB 3.73Å; L459-L475 HydrophobicContact CD2-CB 4.38Å; L459-L478 HydrophobicContact CD1-CD1 4.25Å
460Q89.3Confident91.3Very high178 Ų17846 Ų4683%0.83227%0.268SS*.  trans-113.9153174.5-65.1-179.11.200110.6
461G91.4Very high90.8Very high58 Ų5848.6 Ų48.660%0.59828%0.284SS*.SBendtrans98.7-146.3176.700000113.4
462T92Very high90.3Very high98 Ų9849.5 Ų49.560%0.60129%0.293SS*.  trans-116.7157.1-179.463.70000110.8
463V94.4Very high90Very high3 Ų349.7 Ų49.72%0.01829%0.294CS..  trans-53.6145.3172-60.40000112.4I399 C447 E450 Q451 I454I399-V463 HydrophobicContact CD1-CG2 4.09Å; I399-V463 HydrophobicContact CG1-CG2 4.23Å; I399-V463 HydrophobicContact CG2-CG2 3.63Å; C447-V463 HydrophobicContact CB-CB 4.48Å; C447-V463 WeakPolarHBondContact O-CG1 3.18Å; E450-V463 HydrophobicContact CB-CG1 4.11Å; Q451-V463 HydrophobicContact CB-CG1 3.78Å; I454-V463 HydrophobicContact CD1-CG1 4.25Å
464S92.7Very high89.7Confident23 Ų2353.4 Ų53.416%0.16132%0.319CS..  trans-65.9145.5178.5-62.70000111.3E450 A469 S473E450-S464 VanDerWaalsContact CD-OG 3.29Å; E450-S464 WeakPolarHBondContact OE1-CB 3.22Å; E450-S464 PolarHBondContact OE1-OG 3.24Å; E450-S464 WeakPolarHBondContact OE2-CB 3.33Å; E450-S464 PolarHBondContact OE2-N 2.9Å; E450-S464 PolarHBondContact OE2-OG 3.27Å; E450-S464 VanDerWaalsContact OE2-OG 3.14Å; S464-A469 VanDerWaalsContact CB-CB 3.42Å; S464-S473 WeakPolarHBondContact OG-CB 3.41Å
465R90.1Very high89.4Confident111 Ų11151.8 Ų51.842%0.41931%0.31SS..  trans-113.913.8179.6-50.9-163.6171.874.20.5113.5G392 I399G392-R465 WeakPolarHBondContact CA-O 3.43Å; I399-R465 HydrophobicContact CD1-CB 4.18Å; I399-R465 HydrophobicContact CD1-CG 3.59Å
466T86.6Confident89Confident72 Ų7248.8 Ų48.844%0.44230%0.297SS..SBendtrans-111.3149.7-17768.90000111.8D468 A469T466-D468 VanDerWaalsContact C-N 3.25Å; T466-D468 VanDerWaalsContact CB-OD1 3.24Å; T466-D468 WeakPolarHBondContact CB-OD1 3.4Å; T466-D468 PolarHBondContact O-N 3.04Å; T466-D468 PolarHBondContact OG1-OD1 2.88Å; T466-A469 WeakPolarHBondContact O-CB 3.36Å; T466-A469 PolarHBondContact O-N 2.9Å; T466-A469 PolarHBondContact OG1-N 2.91Å
467A81.3Confident88.6Confident32 Ų3253 Ų5326%0.26432%0.316SS..THydrogen-bonded Turntrans-68.4-24-179.600000113.9L391 M443L391-A467 HydrophobicContact CB-CB 4.09Å; L391-A467 HydrophobicContact CD1-CB 4.16Å; M443-A467 HydrophobicContact CE-CB 3.8Å; M443-A467 HydrophobicContact SD-CB 4.02Å
468D85.4Confident88.1Confident77 Ų7751.7 Ų51.741%0.41230%0.295SS..THydrogen-bonded Turntrans-95.35-178.966.7-14.2000113.7T466 S470 T471 T472T466-D468 VanDerWaalsContact C-N 3.25Å; T466-D468 VanDerWaalsContact CB-OD1 3.24Å; T466-D468 WeakPolarHBondContact CB-OD1 3.4Å; T466-D468 PolarHBondContact O-N 3.04Å; T466-D468 PolarHBondContact OG1-OD1 2.88Å; D468-S470 PolarHBondContact O-N 3.14Å; D468-T471 PolarHBondContact O-N 3.05Å; D468-T471 PolarHBondContact O-OG1 3.35Å; D468-T472 HydrophobicContact CB-CG2 4.4Å; D468-T472 PolarHBondContact O-N 3.01Å; D468-T472 PolarHBondContact O-OG1 3.28Å; D468-T472 VanDerWaalsContact O-OG1 3.08Å; D468-T472 PolarHBondContact OD1-OG1 2.89Å
469A88.1Confident87.8Confident4 Ų450.4 Ų50.43%0.03329%0.288CS..Hα-helixtrans-50.5-33.7-176.900000113.4S464 T466 T471 T472 S473S464-A469 VanDerWaalsContact CB-CB 3.42Å; T466-A469 WeakPolarHBondContact O-CB 3.36Å; T466-A469 PolarHBondContact O-N 2.9Å; T466-A469 PolarHBondContact OG1-N 2.91Å; A469-T471 PolarHBondContact O-N 3.42Å; A469-T472 PolarHBondContact O-N 2.76Å; A469-S473 WeakPolarHBondContact O-CB 3.29Å; A469-S473 PolarHBondContact O-N 3.41Å; A469-S473 PolarHBondContact O-OG 3.44Å
470S85.2Confident87.4Confident11 Ų1153.7 Ų53.78%0.07731%0.311CS..Hα-helixtrans-60.2-12.4174.9500000115.1W446 D468 S476 G483 K487W446-S470 VanDerWaalsContact CE2-CA 3.44Å; W446-S470 VanDerWaalsContact CZ2-CA 3.49Å; D468-S470 PolarHBondContact O-N 3.14Å; S470-S476 WeakPolarHBondContact O-CB 3.38Å; S470-G483 WeakPolarHBondContact O-CA 3.11Å; S470-K487 WeakPolarHBondContact OG-CE 2.89Å
471T86.3Confident87.2Confident54 Ų5447.1 Ų47.133%0.33129%0.291SS..Hα-helixtrans-125.9-8.6177.737.50000114.4D468 A469 S476 L484 K487D468-T471 PolarHBondContact O-N 3.05Å; D468-T471 PolarHBondContact O-OG1 3.35Å; A469-T471 PolarHBondContact O-N 3.42Å; T471-S476 PolarHBondContact O-OG 3.03Å; T471-L484 HydrophobicContact CG2-CD2 4.11Å; T471-K487 HydrophobicContact CG2-CD 4.26Å; T471-K487 VanDerWaalsContact CG2-NZ 3.29Å; T471-K487 PolarHBondContact OG1-NZ 2.97Å
472T87.4Confident87.1Confident68 Ų6844.4 Ų44.442%0.41726%0.263SS..Hα-helixtrans-126.4-16.4-174.156.50000113.7D468 A469 S476 H477D468-T472 HydrophobicContact CB-CG2 4.4Å; D468-T472 PolarHBondContact O-N 3.01Å; D468-T472 PolarHBondContact O-OG1 3.28Å; D468-T472 VanDerWaalsContact O-OG1 3.08Å; D468-T472 PolarHBondContact OD1-OG1 2.89Å; A469-T472 PolarHBondContact O-N 2.76Å; T472-S476 PolarHBondContact N-OG 3.13Å; T472-H477 PolarHBondContact O-NE2 3.28Å
473S90.1Very high87.1Confident4 Ų439.9 Ų39.93%0.02824%0.236CC..SBendtrans-71.6158.7-178.764.20000112W446 E450 S464 A469 L475 S476 H477W446-S473 WeakPolarHBondContact CZ2-OG 3.31Å; W446-S473 PolarHBondContact NE1-OG 3.34Å; E450-S473 WeakPolarHBondContact OE1-CB 3.3Å; E450-S473 PolarHBondContact OE1-OG 3.27Å; S464-S473 WeakPolarHBondContact OG-CB 3.41Å; A469-S473 WeakPolarHBondContact O-CB 3.29Å; A469-S473 PolarHBondContact O-N 3.41Å; A469-S473 PolarHBondContact O-OG 3.44Å; S473-L475 PolarHBondContact O-N 3.08Å; S473-S476 PolarHBondContact N-OG 3.14Å; S473-S476 WeakPolarHBondContact O-CB 3.16Å; S473-S476 PolarHBondContact O-N 3.46Å; S473-S476 PolarHBondContact O-OG 2.86Å; S473-S476 PolarHBondContact OG-N 2.74Å; S473-H477 PolarHBondContact O-CD2 3.24Å; S473-H477 PolarHBondContact O-N 3.14Å
474P87.8Confident86.9Confident78 Ų7844.8 Ų44.851%0.50626%0.262SS..Hα-helixtrans-52.6-37171-26.534.9000113.1L459 S476 H477 L478L459-P474 HydrophobicContact CD1-CB 3.73Å; P474-S476 VanDerWaalsContact C-N 3.31Å; P474-S476 PolarHBondContact O-N 2.97Å; P474-H477 WeakPolarHBondContact O-CB 3.41Å; P474-H477 PolarHBondContact O-N 3.29Å; P474-H477 VanDerWaalsContact O-N 3.08Å; P474-L478 WeakPolarHBondContact O-CG 3.44Å; P474-L478 PolarHBondContact O-N 3.41Å
475L89Confident86.9Confident0 Ų049.2 Ų49.20%028%0.275CS..Hα-helixtrans-59.8-40.8175.7-175.966.9000112.4W446 L449 E450 M453 L459 S473 H477 L478 W479W446-L475 HydrophobicContact CH2-CD2 4.11Å; W446-L475 HydrophobicContact CH2-CG 4.33Å; W446-L475 HydrophobicContact CZ2-CB 3.93Å; W446-L475 HydrophobicContact CZ2-CD2 3.65Å; W446-L475 HydrophobicContact CZ2-CG 3.91Å; L449-L475 HydrophobicContact CB-CD2 4.44Å; L449-L475 HydrophobicContact CD2-CD2 3.82Å; L449-L475 HydrophobicContact CG-CD2 3.78Å; E450-L475 HydrophobicContact CB-CD2 4.43Å; E450-L475 HydrophobicContact CG-CB 3.96Å; E450-L475 HydrophobicContact CG-CD2 3.51Å; E450-L475 HydrophobicContact CG-CG 4.33Å; M453-L475 HydrophobicContact CB-CD1 4.31Å; M453-L475 HydrophobicContact CG-CD1 3.67Å; L459-L475 HydrophobicContact CD2-CB 4.38Å; S473-L475 PolarHBondContact O-N 3.08Å; L475-H477 PolarHBondContact O-N 3.47Å; L475-L478 HydrophobicContact CD1-CD1 4.29Å; L475-L478 PolarHBondContact O-N 2.98Å; L475-W479 HydrophobicContact CD1-CE3 3.86Å; L475-W479 HydrophobicContact CD1-CH2 4.14Å; L475-W479 HydrophobicContact CD1-CZ3 3.37Å; L475-W479 HydrophobicContact CG-CE3 4.47Å; L475-W479 HydrophobicContact CG-CZ3 4.29Å; L475-W479 PolarHBondContact O-N 3.23Å
476S86.9Confident87.1Confident11 Ų1144.1 Ų44.18%0.07726%0.255CS..Hα-helixtrans-66.5-26.5177.376.90000112.9S470 T471 T472 S473 P474S470-S476 WeakPolarHBondContact O-CB 3.38Å; T471-S476 PolarHBondContact O-OG 3.03Å; T472-S476 PolarHBondContact N-OG 3.13Å; S473-S476 PolarHBondContact N-OG 3.14Å; S473-S476 WeakPolarHBondContact O-CB 3.16Å; S473-S476 PolarHBondContact O-N 3.46Å; S473-S476 PolarHBondContact O-OG 2.86Å; S473-S476 PolarHBondContact OG-N 2.74Å; P474-S476 VanDerWaalsContact C-N 3.31Å; P474-S476 PolarHBondContact O-N 2.97Å
477H84.4Confident87.3Confident126 Ų12641.7 Ų41.758%0.58324%0.239SC*.Hα-helixtrans-83-28.3175.1-64.8-60.9000112.8T472 S473 P474 L475 W479T472-H477 PolarHBondContact O-NE2 3.28Å; S473-H477 PolarHBondContact O-CD2 3.24Å; S473-H477 PolarHBondContact O-N 3.14Å; P474-H477 WeakPolarHBondContact O-CB 3.41Å; P474-H477 PolarHBondContact O-N 3.29Å; P474-H477 VanDerWaalsContact O-N 3.08Å; L475-H477 PolarHBondContact O-N 3.47Å; H477-W479 VanDerWaalsContact C-N 3.32Å; H477-W479 PolarHBondContact O-N 3.47Å
478L82.3Confident87.9Confident30 Ų3042.4 Ų42.416%0.15724%0.242CC..Hα-helixtrans-62.6-37.6174.5-74.8173.1000112.2I216 I458 L459 P474 L475I216-L478 HydrophobicContact CG2-CD2 4.45Å; I458-L478 HydrophobicContact CG2-CD1 4.11Å; L459-L478 HydrophobicContact CD1-CD1 4.25Å; P474-L478 WeakPolarHBondContact O-CG 3.44Å; P474-L478 PolarHBondContact O-N 3.41Å; L475-L478 HydrophobicContact CD1-CD1 4.29Å; L475-L478 PolarHBondContact O-N 2.98Å
479W82.9Confident88.4Confident3 Ų339.2 Ų39.21%0.01122%0.224CC..SBendtrans-124.189.1175.4-61.5-57.6000111.5Y209 L217 L221 I261 M453 L475 H477 G481 F482Y209-W479 AromaticContact CE1-CD1 3.89Å; L217-W479 HydrophobicContact CD1-CZ2 3.97Å; L221-W479 HydrophobicContact CD2-CD2 3.86Å; L221-W479 HydrophobicContact CD2-CE3 3.69Å; L221-W479 HydrophobicContact CD2-CH2 3.94Å; L221-W479 HydrophobicContact CD2-CZ2 4.13Å; L221-W479 HydrophobicContact CD2-CZ3 3.69Å; I261-W479 HydrophobicContact CD1-CH2 3.76Å; I261-W479 HydrophobicContact CD1-CZ2 3.53Å; M453-W479 HydrophobicContact CG-CH2 4.05Å; M453-W479 HydrophobicContact CG-CZ3 4.29Å; M453-W479 HydrophobicContact SD-CH2 3.62Å; M453-W479 HydrophobicContact SD-CZ3 4.32Å; L475-W479 HydrophobicContact CD1-CE3 3.86Å; L475-W479 HydrophobicContact CD1-CH2 4.14Å; L475-W479 HydrophobicContact CD1-CZ3 3.37Å; L475-W479 HydrophobicContact CG-CE3 4.47Å; L475-W479 HydrophobicContact CG-CZ3 4.29Å; L475-W479 PolarHBondContact O-N 3.23Å; H477-W479 VanDerWaalsContact C-N 3.32Å; H477-W479 PolarHBondContact O-N 3.47Å; W479-G481 PolarHBondContact O-N 2.9Å; W479-F482 HydrophobicContact CB-CB 3.57Å; W479-F482 HydrophobicContact CB-CG 4.27Å; W479-F482 HydrophobicContact CE3-CD1 4.41Å; W479-F482 WeakPolarHBondContact O-CB 3.34Å; W479-F482 PolarHBondContact O-N 3.32Å
480P81.5Confident88.7Confident86 Ų8639 Ų3956%0.55822%0.223SC*.THydrogen-bonded Turntrans-51.5128.5179.3-28.335.7000112.3Y209 F482Y209-P480 PolarHBondContact OH-O 3.28Å; P480-F482 PolarHBondContact O-N 3.19Å
481G85.5Confident89.1Confident41 Ų4138.6 Ų38.642%0.42322%0.22SC..THydrogen-bonded Turntrans79.8-14.3-179.400000115.6W479 G483 L484 R485W479-G481 PolarHBondContact O-N 2.9Å; G481-G483 VanDerWaalsContact C-N 3.32Å; G481-G483 PolarHBondContact O-N 3.06Å; G481-L484 PolarHBondContact O-N 3.46Å; G481-R485 PolarHBondContact O-N 3.48Å
482F89.6Confident89.5Confident0 Ų038.9 Ų38.90%022%0.22CC..Hα-helixtrans-58.4-45.2177.2174.9-98.1000111.5I207 L221 Y223 W446 L449 W479 P480 L484 R485 F486I207-F482 HydrophobicContact CB-CE2 4.48Å; I207-F482 HydrophobicContact CD1-CE2 4.22Å; I207-F482 HydrophobicContact CG2-CD2 4.01Å; I207-F482 HydrophobicContact CG2-CE2 4.04Å; L221-F482 HydrophobicContact CD2-CD2 4.06Å; L221-F482 HydrophobicContact CD2-CE2 3.82Å; L221-F482 HydrophobicContact CD2-CZ 4.26Å; Y223-F482 AromaticContact CD2-CZ 3.91Å; Y223-F482 HydrophobicContact CD2-CZ 3.91Å; Y223-F482 HydrophobicContact CG-CE2 4.22Å; Y223-F482 AromaticContact CG-CZ 3.97Å; Y223-F482 HydrophobicContact CG-CZ 3.97Å; W446-F482 HydrophobicContact CH2-CD1 4.04Å; W446-F482 HydrophobicContact CH2-CE1 4.16Å; W446-F482 HydrophobicContact CZ3-CD1 4.03Å; W446-F482 AromaticContact CZ3-CE1 3.81Å; W446-F482 HydrophobicContact CZ3-CE1 3.81Å; L449-F482 HydrophobicContact CD2-CE1 3.53Å; L449-F482 HydrophobicContact CD2-CZ 3.83Å; W479-F482 HydrophobicContact CB-CB 3.57Å; W479-F482 HydrophobicContact CB-CG 4.27Å; W479-F482 HydrophobicContact CE3-CD1 4.41Å; W479-F482 WeakPolarHBondContact O-CB 3.34Å; W479-F482 PolarHBondContact O-N 3.32Å; P480-F482 PolarHBondContact O-N 3.19Å; F482-L484 VanDerWaalsContact C-N 3.28Å; F482-L484 PolarHBondContact O-N 3.4Å; F482-R485 CarbonylContact O-C 3.59Å; F482-R485 WeakPolarHBondContact O-CA 3.41Å; F482-R485 PolarHBondContact O-N 2.83Å; F482-F486 HydrophobicContact CE1-CB 4.35Å; F482-F486 PolarHBondContact O-N 3.17Å
483G91.4Very high89.9Confident3 Ų335.7 Ų35.73%0.03120%0.2CC..Hα-helixtrans-52.9-40.4176.400000114.8S470 G481 F486 K487S470-G483 WeakPolarHBondContact O-CA 3.11Å; G481-G483 VanDerWaalsContact C-N 3.32Å; G481-G483 PolarHBondContact O-N 3.06Å; G483-F486 PolarHBondContact O-N 2.71Å; G483-K487 WeakPolarHBondContact O-CG 3.45Å; G483-K487 PolarHBondContact O-N 3.2Å
484L89.8Confident90Very high107 Ų10735.6 Ų35.656%0.5620%0.2SC*.Hα-helixtrans-70.2-38.9176.2-67.5174000111.9T471 G481 F482 K487 S488T471-L484 HydrophobicContact CG2-CD2 4.11Å; G481-L484 PolarHBondContact O-N 3.46Å; F482-L484 VanDerWaalsContact C-N 3.28Å; F482-L484 PolarHBondContact O-N 3.4Å; L484-K487 PolarHBondContact O-N 2.98Å; L484-S488 WeakPolarHBondContact O-CB 3.28Å; L484-S488 PolarHBondContact O-N 2.97Å
485R92.4Very high90.2Very high116 Ų11633.6 Ų33.644%0.43819%0.185SC..Hα-helixtrans-67.2-39.5175.4-62.3179.883.9-175.12.9111.1I207 S208 G481 F482 S488 I489I207-R485 HydrophobicContact CD1-CB 3.6Å; I207-R485 HydrophobicContact CG1-CB 3.97Å; S208-R485 PolarHBondContact O-NH1 2.81Å; G481-R485 PolarHBondContact O-N 3.48Å; F482-R485 CarbonylContact O-C 3.59Å; F482-R485 WeakPolarHBondContact O-CA 3.41Å; F482-R485 PolarHBondContact O-N 2.83Å; R485-S488 WeakPolarHBondContact O-CB 3.41Å; R485-S488 PolarHBondContact O-N 3.49Å; R485-I489 PolarHBondContact O-N 3.17Å
486F94.6Very high90.5Very high3 Ų335.9 Ų35.91%0.01319%0.194CC..Hα-helixtrans-58-51.3173.3175.5-85.6000111.2Y223 S442 W446 F482 G483 S488 I489 W490Y223-F486 HydrophobicContact CE1-CD2 4.2Å; Y223-F486 AromaticContact CE2-CD2 3.74Å; Y223-F486 HydrophobicContact CE2-CD2 3.74Å; Y223-F486 AromaticContact CE2-CE2 3.7Å; Y223-F486 HydrophobicContact CE2-CE2 3.7Å; Y223-F486 AromaticContact CZ-CD2 3.58Å; Y223-F486 AromaticContact CZ-CE2 3.57Å; Y223-F486 WeakPolarHBondContact OH-CE2 3.43Å; S442-F486 WeakPolarHBondContact O-CZ 3.34Å; W446-F486 HydrophobicContact CB-CE1 4.22Å; W446-F486 HydrophobicContact CB-CZ 4Å; W446-F486 HydrophobicContact CE3-CB 4.43Å; W446-F486 AromaticContact CE3-CD1 3.64Å; W446-F486 HydrophobicContact CE3-CD1 3.64Å; W446-F486 AromaticContact CE3-CD2 3.92Å; W446-F486 HydrophobicContact CE3-CD2 3.92Å; W446-F486 AromaticContact CE3-CE1 3.76Å; W446-F486 HydrophobicContact CE3-CE1 3.76Å; W446-F486 HydrophobicContact CE3-CE2 4Å; W446-F486 AromaticContact CE3-CG 3.74Å; W446-F486 HydrophobicContact CE3-CG 3.74Å; W446-F486 AromaticContact CE3-CZ 3.93Å; W446-F486 HydrophobicContact CE3-CZ 3.93Å; W446-F486 HydrophobicContact CZ3-CB 4Å; W446-F486 HydrophobicContact CZ3-CD1 4.04Å; W446-F486 HydrophobicContact CZ3-CD2 4.15Å; W446-F486 AromaticContact CZ3-CG 3.8Å; W446-F486 HydrophobicContact CZ3-CG 3.8Å; F482-F486 HydrophobicContact CE1-CB 4.35Å; F482-F486 PolarHBondContact O-N 3.17Å; G483-F486 PolarHBondContact O-N 2.71Å; F486-S488 VanDerWaalsContact C-N 3.27Å; F486-S488 PolarHBondContact O-N 3.18Å; F486-I489 PolarHBondContact O-N 3.36Å; F486-W490 AromaticContact CD1-CD1 3.89Å; F486-W490 AromaticContact CE1-CD1 3.47Å; F486-W490 VanDerWaalsContact CE1-CD1 3.47Å; F486-W490 HydrophobicContact CE1-CG 4.37Å; F486-W490 AromaticContact CE1-NE1 3.82Å; F486-W490 AromaticContact CE2-CD1 3.72Å; F486-W490 AromaticContact CE2-NE1 3.43Å; F486-W490 AromaticContact CZ-CD1 3.38Å; F486-W490 HydrophobicContact CZ-CG 4.47Å; F486-W490 AromaticContact CZ-NE1 3.21Å; F486-W490 PolarHBondContact O-N 3.07Å
487K92.3Very high90.8Very high22 Ų2235.5 Ų35.510%0.09619%0.191CC..Hα-helixtrans-55.5-42.8174.2-80.8-173.5-175.3-179.40112.1S470 T471 G483 L484 W490 A491 T512S470-K487 WeakPolarHBondContact OG-CE 2.89Å; T471-K487 HydrophobicContact CG2-CD 4.26Å; T471-K487 VanDerWaalsContact CG2-NZ 3.29Å; T471-K487 PolarHBondContact OG1-NZ 2.97Å; G483-K487 WeakPolarHBondContact O-CG 3.45Å; G483-K487 PolarHBondContact O-N 3.2Å; L484-K487 PolarHBondContact O-N 2.98Å; K487-W490 PolarHBondContact O-N 2.82Å; K487-A491 WeakPolarHBondContact O-CB 3.22Å; K487-A491 PolarHBondContact O-N 3.35Å; K487-T512 VanDerWaalsContact CB-O 3.26Å; K487-T512 WeakPolarHBondContact CB-O 3.5Å; K487-T512 WeakPolarHBondContact CD-O 3.21Å; K487-T512 WeakPolarHBondContact CG-O 3.14Å
488S92.6Very high91.2Very high46 Ų4629.5 Ų29.532%0.32216%0.163SC..Hα-helixtrans-63-44.7177.1-1720000112.6L484 R485 F486 W490 A491 N492L484-S488 WeakPolarHBondContact O-CB 3.28Å; L484-S488 PolarHBondContact O-N 2.97Å; R485-S488 WeakPolarHBondContact O-CB 3.41Å; R485-S488 PolarHBondContact O-N 3.49Å; F486-S488 VanDerWaalsContact C-N 3.27Å; F486-S488 PolarHBondContact O-N 3.18Å; S488-W490 PolarHBondContact O-N 3.09Å; S488-A491 PolarHBondContact O-N 3.05Å; S488-N492 PolarHBondContact O-N 2.99Å; S488-N492 PolarHBondContact O-ND2 3.2Å; S488-N492 VanDerWaalsContact O-ND2 3.11Å
489I95.6Very high91.7Very high10 Ų1030.6 Ų30.65%0.05117%0.169CC..Hα-helixtrans-59.7-46.1175.1-80.7-163.8000111.4Y203 I207 Y223 L225 R485 F486 N492 N493Y203-I489 HydrophobicContact CE1-CG2 3.94Å; Y203-I489 WeakPolarHBondContact CE1-O 3.36Å; I207-I489 HydrophobicContact CD1-CD1 3.55Å; I207-I489 HydrophobicContact CD1-CG1 4.04Å; I207-I489 HydrophobicContact CG1-CD1 3.47Å; I207-I489 VanDerWaalsContact CG1-CD1 3.47Å; I207-I489 HydrophobicContact CG1-CG1 4.21Å; Y223-I489 HydrophobicContact CD1-CD1 4.36Å; Y223-I489 HydrophobicContact CE1-CD1 4.42Å; Y223-I489 HydrophobicContact CE1-CG2 4.24Å; L225-I489 HydrophobicContact CB-CG2 3.77Å; L225-I489 HydrophobicContact CD2-CG2 3.72Å; L225-I489 HydrophobicContact CG-CG2 4.4Å; R485-I489 PolarHBondContact O-N 3.17Å; F486-I489 PolarHBondContact O-N 3.36Å; I489-N492 PolarHBondContact O-N 2.86Å; I489-N493 WeakPolarHBondContact O-CB 3.43Å; I489-N493 PolarHBondContact O-N 3.2Å
490W95.4Very high92.1Very high0 Ų030.8 Ų30.80%017%0.17CC..Hα-helixtrans-68.9-33178.9-8596.6000113.1Y223 L225 T255 N438 Q441 S442 S445 F486 K487 S488 N493 A494 T512Y223-W490 PolarHBondContact OH-NE1 2.8Å; Y223-W490 VanDerWaalsContact OH-NE1 3.1Å; L225-W490 HydrophobicContact CD1-CH2 4.04Å; L225-W490 HydrophobicContact CD1-CZ2 3.42Å; L225-W490 VanDerWaalsContact CD1-CZ2 3.42Å; L225-W490 HydrophobicContact CD2-CD2 3.89Å; L225-W490 HydrophobicContact CD2-CE3 4.28Å; L225-W490 HydrophobicContact CD2-CG 4.33Å; L225-W490 HydrophobicContact CD2-CH2 4.35Å; L225-W490 HydrophobicContact CD2-CZ2 3.91Å; L225-W490 HydrophobicContact CG-CZ2 4.34Å; T255-W490 HydrophobicContact CG2-CH2 3.74Å; T255-W490 HydrophobicContact CG2-CZ2 4.36Å; T255-W490 HydrophobicContact CG2-CZ3 4.39Å; N438-W490 PolarHBondContact ND2-O 2.69Å; N438-W490 PolarHBondContact OD1-O 2.87Å; Q441-W490 HydrophobicContact CB-CH2 3.86Å; Q441-W490 HydrophobicContact CB-CZ3 3.67Å; S442-W490 VanDerWaalsContact CB-CG 3.42Å; S445-W490 VanDerWaalsContact CB-CZ2 3.42Å; S445-W490 WeakPolarHBondContact OG-CH2 3.46Å; S445-W490 WeakPolarHBondContact OG-CZ2 3.33Å; F486-W490 AromaticContact CD1-CD1 3.89Å; F486-W490 AromaticContact CE1-CD1 3.47Å; F486-W490 VanDerWaalsContact CE1-CD1 3.47Å; F486-W490 HydrophobicContact CE1-CG 4.37Å; F486-W490 AromaticContact CE1-NE1 3.82Å; F486-W490 AromaticContact CE2-CD1 3.72Å; F486-W490 AromaticContact CE2-NE1 3.43Å; F486-W490 AromaticContact CZ-CD1 3.38Å; F486-W490 HydrophobicContact CZ-CG 4.47Å; F486-W490 AromaticContact CZ-NE1 3.21Å; F486-W490 PolarHBondContact O-N 3.07Å; K487-W490 PolarHBondContact O-N 2.82Å; S488-W490 PolarHBondContact O-N 3.09Å; W490-N493 WeakPolarHBondContact O-CB 3.47Å; W490-N493 PolarHBondContact O-N 3.06Å; W490-A494 PolarHBondContact O-N 3.06Å; W490-A494 VanDerWaalsContact O-N 3.15Å; W490-T512 HydrophobicContact CB-CG2 4.07Å
491A92.4Very high92.6Very high3 Ų326.8 Ų26.83%0.02514%0.144CC..Hα-helixtrans-64.4-47.3171.900000110.9K487 S488 N493 A494 D495 T512 R513K487-A491 WeakPolarHBondContact O-CB 3.22Å; K487-A491 PolarHBondContact O-N 3.35Å; S488-A491 PolarHBondContact O-N 3.05Å; A491-N493 VanDerWaalsContact C-N 3.33Å; A491-N493 PolarHBondContact O-N 3.18Å; A491-A494 WeakPolarHBondContact O-CB 3.34Å; A491-A494 PolarHBondContact O-N 3.31Å; A491-A494 VanDerWaalsContact O-N 3.14Å; A491-D495 PolarHBondContact O-N 3.17Å; A491-T512 HydrophobicContact CB-CG2 4.02Å; A491-R513 HydrophobicContact CB-CB 4.38Å
492N94.6Very high92.7Very high60 Ų6024.8 Ų24.832%0.32112%0.124SC..Hα-helixtrans-59.7-43.9175.3-67.8-33.2000111.1Y203 S488 I489 A494 D495 Y496Y203-N492 HydrophobicContact CE1-CB 4.4Å; Y203-N492 HydrophobicContact CE2-CB 3.77Å; Y203-N492 WeakPolarHBondContact OH-CB 3.43Å; S488-N492 PolarHBondContact O-N 2.99Å; S488-N492 PolarHBondContact O-ND2 3.2Å; S488-N492 VanDerWaalsContact O-ND2 3.11Å; I489-N492 PolarHBondContact O-N 2.86Å; N492-A494 VanDerWaalsContact C-N 3.26Å; N492-A494 PolarHBondContact O-N 3.41Å; N492-D495 WeakPolarHBondContact O-CB 3.42Å; N492-D495 PolarHBondContact O-N 2.89Å; N492-Y496 VanDerWaalsContact O-CD2 3.25Å; N492-Y496 WeakPolarHBondContact O-CD2 3.46Å; N492-Y496 PolarHBondContact O-N 3.14Å
493N96.3Very high92.5Very high0 Ų025.7 Ų25.70%013%0.132CC..Hα-helixtrans-53.5-43.9175.4-179.261.6000112.4Y203 L225 S227 R272 N438 I489 W490 A491 C497Y203-N493 HydrophobicContact CD1-CB 3.52Å; Y203-N493 HydrophobicContact CE1-CB 3.87Å; Y203-N493 HydrophobicContact CG-CB 4.26Å; L225-N493 HydrophobicContact CD2-CB 3.91Å; S227-N493 VanDerWaalsContact CB-OD1 3.25Å; S227-N493 WeakPolarHBondContact CB-OD1 3.1Å; S227-N493 PolarHBondContact OG-OD1 2.85Å; R272-N493 PolarHBondContact NH2-ND2 2.89Å; N438-N493 PolarHBondContact OD1-ND2 2.94Å; I489-N493 WeakPolarHBondContact O-CB 3.43Å; I489-N493 PolarHBondContact O-N 3.2Å; W490-N493 WeakPolarHBondContact O-CB 3.47Å; W490-N493 PolarHBondContact O-N 3.06Å; A491-N493 VanDerWaalsContact C-N 3.33Å; A491-N493 PolarHBondContact O-N 3.18Å; N493-C497 WeakPolarHBondContact O-CB 3.02Å; N493-C497 PolarHBondContact O-N 2.69Å; N493-C497 VanDerWaalsContact O-N 3.09Å; N493-C497 PolarHBondContact O-SG 3.22Å
494A92.8Very high92Very high3 Ų325.6 Ų25.63%0.02513%0.132CC..Hα-helixtrans-60.3-47.6174.500000111.4N438 W490 A491 N492 Y496 C497 S498 A506 T509N438-A494 HydrophobicContact CB-CB 4Å; W490-A494 PolarHBondContact O-N 3.06Å; W490-A494 VanDerWaalsContact O-N 3.15Å; A491-A494 WeakPolarHBondContact O-CB 3.34Å; A491-A494 PolarHBondContact O-N 3.31Å; A491-A494 VanDerWaalsContact O-N 3.14Å; N492-A494 VanDerWaalsContact C-N 3.26Å; N492-A494 PolarHBondContact O-N 3.41Å; A494-Y496 PolarHBondContact O-N 3.08Å; A494-C497 PolarHBondContact O-N 2.89Å; A494-S498 VanDerWaalsContact O-CB 3.25Å; A494-S498 WeakPolarHBondContact O-CB 3.49Å; A494-S498 PolarHBondContact O-N 3.09Å; A494-A506 HydrophobicContact CB-CB 3.66Å; A494-T509 HydrophobicContact CB-CG2 4.3Å
495D92.4Very high91.5Very high36 Ų3622.2 Ų22.219%0.19312%0.116CC..Hα-helixtrans-59.7-46.4-178.9-74.6-32000112.3A491 N492 S498 L499 P505 A506 T509A491-D495 PolarHBondContact O-N 3.17Å; N492-D495 WeakPolarHBondContact O-CB 3.42Å; N492-D495 PolarHBondContact O-N 2.89Å; D495-S498 PolarHBondContact O-N 2.86Å; D495-L499 VanDerWaalsContact O-CB 3.23Å; D495-L499 WeakPolarHBondContact O-CB 3.43Å; D495-L499 PolarHBondContact O-N 2.83Å; D495-P505 HydrophobicContact CB-CB 4.5Å; D495-P505 WeakPolarHBondContact OD1-CB 3.37Å; D495-A506 PolarHBondContact OD1-N 3.22Å; D495-T509 WeakPolarHBondContact OD1-CG2 3.45Å
496Y95Very high90.6Very high47 Ų4716.8 Ų16.818%0.18410%0.096CC..Hα-helixtrans-64.9-46.6177.7-80.2-89.3000111.8K87 E125 Y203 N492 A494 S498 L499 Q500K87-Y496 PolarHBondContact NZ-OH 3.19Å; E125-Y496 HydrophobicContact CB-CD1 4.24Å; E125-Y496 HydrophobicContact CB-CE1 3.92Å; Y203-Y496 AromaticContact CD2-CD2 3.3Å; Y203-Y496 HydrophobicContact CD2-CD2 3.3Å; Y203-Y496 AromaticContact CD2-CE2 3.68Å; Y203-Y496 HydrophobicContact CD2-CE2 3.68Å; Y203-Y496 AromaticContact CD2-CG 3.87Å; Y203-Y496 HydrophobicContact CD2-CG 3.87Å; Y203-Y496 AromaticContact CE2-CD2 3.81Å; Y203-Y496 HydrophobicContact CE2-CD2 3.81Å; Y203-Y496 AromaticContact CE2-CE2 3.81Å; Y203-Y496 HydrophobicContact CE2-CE2 3.81Å; Y203-Y496 HydrophobicContact CG-CD2 4.18Å; Y203-Y496 HydrophobicContact CG-CG 4.5Å; N492-Y496 VanDerWaalsContact O-CD2 3.25Å; N492-Y496 WeakPolarHBondContact O-CD2 3.46Å; N492-Y496 PolarHBondContact O-N 3.14Å; A494-Y496 PolarHBondContact O-N 3.08Å; Y496-S498 PolarHBondContact O-N 3.5Å; Y496-L499 PolarHBondContact O-N 2.92Å; Y496-Q500 WeakPolarHBondContact O-CB 3.46Å; Y496-Q500 WeakPolarHBondContact O-CG 3.38Å; Y496-Q500 PolarHBondContact O-N 3.2Å; Y496-Q500 PolarHBondContact O-OE1 2.97Å
497C93.3Very high89.8Confident3 Ų318 Ų182%0.0210%0.102CC..Hα-helixtrans-59.5-38.5176.8-67.40000111.6L434 N493 A494 Y501L434-C497 HydrophobicContact CD2-CB 4.47Å; N493-C497 WeakPolarHBondContact O-CB 3.02Å; N493-C497 PolarHBondContact O-N 2.69Å; N493-C497 VanDerWaalsContact O-N 3.09Å; N493-C497 PolarHBondContact O-SG 3.22Å; A494-C497 PolarHBondContact O-N 2.89Å; C497-Y501 WeakPolarHBondContact O-CB 3.13Å; C497-Y501 PolarHBondContact O-N 2.86Å
498S92.8Very high88.8Confident0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-71.4-44.6178.7-166.30000112.4A494 D495 Y496 Q500 Y501 A502 G503 T504 P505 A506 R532A494-S498 VanDerWaalsContact O-CB 3.25Å; A494-S498 WeakPolarHBondContact O-CB 3.49Å; A494-S498 PolarHBondContact O-N 3.09Å; D495-S498 PolarHBondContact O-N 2.86Å; Y496-S498 PolarHBondContact O-N 3.5Å; S498-Q500 VanDerWaalsContact C-N 3.3Å; S498-Q500 PolarHBondContact O-N 3.15Å; S498-Y501 PolarHBondContact O-N 2.72Å; S498-A502 WeakPolarHBondContact O-CA 3.34Å; S498-A502 WeakPolarHBondContact O-CB 3.4Å; S498-A502 PolarHBondContact O-N 2.75Å; S498-G503 PolarHBondContact O-N 3.49Å; S498-T504 CarbonylContact C-O 3.57Å; S498-T504 WeakPolarHBondContact CB-O 2.94Å; S498-T504 PolarHBondContact OG-O 2.82Å; S498-T504 VanDerWaalsContact OG-O 3.08Å; S498-P505 PolarHBondContact OG-O 3.03Å; S498-A506 WeakPolarHBondContact OG-CA 3.47Å; S498-R532 PolarHBondContact OG-NH2 3.17Å
499L91.7Very high87.5Confident53 Ų5318.6 Ų18.628%0.27710%0.102SC..Hα-helixtrans-61.3-42.4179.5-178.361.5000111E125 D495 Y496 Y501 G503 T504 R543E125-L499 HydrophobicContact CB-CD2 3.71Å; E125-L499 HydrophobicContact CG-CD2 3.99Å; D495-L499 VanDerWaalsContact O-CB 3.23Å; D495-L499 WeakPolarHBondContact O-CB 3.43Å; D495-L499 PolarHBondContact O-N 2.83Å; Y496-L499 PolarHBondContact O-N 2.92Å; L499-Y501 VanDerWaalsContact C-N 3.35Å; L499-Y501 PolarHBondContact O-N 3.48Å; L499-G503 WeakPolarHBondContact O-CA 3.38Å; L499-G503 PolarHBondContact O-N 2.88Å; L499-T504 VanDerWaalsContact CA-O 3.24Å; L499-T504 WeakPolarHBondContact CA-O 3.3Å; L499-T504 PolarHBondContact N-O 2.81Å; L499-R543 PolarHBondContact O-NH2 3.46Å
500Q92.8Very high85.9Confident7 Ų718.6 Ų18.63%0.03310%0.102CC..Hα-helixtrans-68.7-31.1-179.1-69.6159.60.300113.2E125 Q201 G202 Y496 S498E125-Q500 PolarHBondContact O-NE2 3.12Å; Q201-Q500 HydrophobicContact CG-CG 4.21Å; G202-Q500 PolarHBondContact O-NE2 3.29Å; Y496-Q500 WeakPolarHBondContact O-CB 3.46Å; Y496-Q500 WeakPolarHBondContact O-CG 3.38Å; Y496-Q500 PolarHBondContact O-N 3.2Å; Y496-Q500 PolarHBondContact O-OE1 2.97Å; S498-Q500 VanDerWaalsContact C-N 3.3Å; S498-Q500 PolarHBondContact O-N 3.15Å
501Y91.8Very high84Confident2 Ų219.7 Ų19.71%0.00811%0.107CC..Hα-helixtrans-98.8-43.5-177.1-177.5-125.2000114G235 R237 T240 R241 N251 D432 L434 C497 S498 L499G235-Y501 WeakPolarHBondContact O-CD2 3.45Å; R237-Y501 HydrophobicContact CB-CD1 4.46Å; R237-Y501 HydrophobicContact CB-CE1 4.15Å; R237-Y501 HydrophobicContact CG-CE1 4.03Å; R237-Y501 PolarHBondContact N-O 2.81Å; R237-Y501 PolarHBondContact O-OH 3.03Å; T240-Y501 PolarHBondContact O-OH 2.85Å; T240-Y501 VanDerWaalsContact O-OH 3.13Å; R241-Y501 WeakPolarHBondContact CG-OH 3.36Å; N251-Y501 HydrophobicContact CB-CD1 4.35Å; N251-Y501 HydrophobicContact CB-CD2 3.86Å; N251-Y501 HydrophobicContact CB-CE1 4.22Å; N251-Y501 HydrophobicContact CB-CE2 3.71Å; N251-Y501 HydrophobicContact CB-CG 4.17Å; N251-Y501 VanDerWaalsContact ND2-CD1 3.31Å; N251-Y501 WeakPolarHBondContact ND2-CD1 3.41Å; D432-Y501 WeakPolarHBondContact O-CE1 3.47Å; L434-Y501 HydrophobicContact CD1-CD1 4.07Å; L434-Y501 HydrophobicContact CD2-CD1 4.02Å; L434-Y501 HydrophobicContact CG-CD1 4.18Å; C497-Y501 WeakPolarHBondContact O-CB 3.13Å; C497-Y501 PolarHBondContact O-N 2.86Å; S498-Y501 PolarHBondContact O-N 2.72Å; L499-Y501 VanDerWaalsContact C-N 3.35Å; L499-Y501 PolarHBondContact O-N 3.48Å
502A87Confident82.5Confident0 Ų020.3 Ų20.30%011%0.11CC..Hα-helixtrans-107.4-12.4-17600000113.8L434 S498 T504L434-A502 HydrophobicContact CD1-CB 4.14Å; S498-A502 WeakPolarHBondContact O-CA 3.34Å; S498-A502 WeakPolarHBondContact O-CB 3.4Å; S498-A502 PolarHBondContact O-N 2.75Å; A502-T504 VanDerWaalsContact C-N 3.31Å; A502-T504 PolarHBondContact O-N 2.92Å
503G86.1Confident81.4Confident18 Ų1824.6 Ų24.619%0.18612%0.122CC..SBendtrans80.45.1179.200000115.9S498 L499 L535 R543S498-G503 PolarHBondContact O-N 3.49Å; L499-G503 WeakPolarHBondContact O-CA 3.38Å; L499-G503 PolarHBondContact O-N 2.88Å; G503-L535 WeakPolarHBondContact O-CD1 3.5Å; G503-R543 VanDerWaalsContact CA-CZ 3.47Å
504T80.3Confident79.5Confident2 Ų227.4 Ų27.41%0.01214%0.139CC..SBendtrans-131.9161172.874.10000109.5S498 L499 A502 I531 R532 L535S498-T504 CarbonylContact C-O 3.57Å; S498-T504 WeakPolarHBondContact CB-O 2.94Å; S498-T504 PolarHBondContact OG-O 2.82Å; S498-T504 VanDerWaalsContact OG-O 3.08Å; L499-T504 VanDerWaalsContact CA-O 3.24Å; L499-T504 WeakPolarHBondContact CA-O 3.3Å; L499-T504 PolarHBondContact N-O 2.81Å; A502-T504 VanDerWaalsContact C-N 3.31Å; A502-T504 PolarHBondContact O-N 2.92Å; T504-I531 HydrophobicContact CG2-CB 3.9Å; T504-I531 HydrophobicContact CG2-CG2 3.49Å; T504-I531 VanDerWaalsContact CG2-CG2 3.49Å; T504-R532 HydrophobicContact CG2-CG 3.62Å; T504-R532 WeakPolarHBondContact OG1-CG 3.26Å; T504-R532 PolarHBondContact OG1-NE 2.93Å; T504-L535 HydrophobicContact CG2-CD1 4.01Å
505P79.1Confident77.9Confident35 Ų3528.7 Ų28.723%0.22715%0.153CC..PPolyproline II helixtrans-52163.5165.2-26.436.7000113.1D495 S498 Y528 R532D495-P505 HydrophobicContact CB-CB 4.5Å; D495-P505 WeakPolarHBondContact OD1-CB 3.37Å; S498-P505 PolarHBondContact OG-O 3.03Å; P505-Y528 HydrophobicContact CB-CE2 4.3Å; P505-Y528 HydrophobicContact CG-CE1 3.96Å; P505-Y528 HydrophobicContact CG-CE2 4.29Å; P505-R532 PolarHBondContact O-NH2 3.02Å
506A74.1Confident76.4Confident2 Ų234.6 Ų34.62%0.01718%0.177CC..PPolyproline II helixtrans-69.2149.9179.100000110.2D435 A494 D495 S498 T509D435-A506 WeakPolarHBondContact OD1-CB 3.44Å; A494-A506 HydrophobicContact CB-CB 3.66Å; D495-A506 PolarHBondContact OD1-N 3.22Å; S498-A506 WeakPolarHBondContact OG-CA 3.47Å; A506-T509 HydrophobicContact CB-CG2 3.61Å
507L77.6Confident75Confident28 Ų2836.4 Ų36.415%0.14718%0.183CC..THydrogen-bonded Turntrans-82.8153.8171.6-57.6175.3000107.3D435 T509 D525 R532D435-L507 PolarHBondContact OD1-N 3.42Å; L507-T509 VanDerWaalsContact C-N 3.26Å; L507-T509 PolarHBondContact O-N 3.37Å; L507-D525 WeakPolarHBondContact CA-OD1 3.35Å; L507-D525 HydrophobicContact CD2-CB 3.98Å; L507-D525 WeakPolarHBondContact CD2-O 3.27Å; L507-R532 VanDerWaalsContact CD1-NH1 3.3Å
508K71.7Confident73.9Confident47 Ų4738.8 Ų38.820%0.20420%0.198CC..THydrogen-bonded Turntrans65.821.2174.5-25.2-169.1173.7169.90116.1D510 F511 R517 D525K508-D510 PolarHBondContact O-N 3.21Å; K508-F511 WeakPolarHBondContact O-CB 3.21Å; K508-F511 PolarHBondContact O-N 2.89Å; K508-F511 VanDerWaalsContact O-N 3.17Å; K508-R517 VanDerWaalsContact CB-CZ 3.46Å; K508-R517 VanDerWaalsContact CG-CZ 3.47Å; K508-D525 PolarHBondContact N-OD1 3.33Å; K508-D525 PolarHBondContact N-OD2 2.89Å
509T64.6Low72.9Confident34 Ų3447.1 Ų47.121%0.20923%0.234CC..Hα-helixtrans-65.5-23.9173.752.60000112.8A494 D495 A506 L507 F511 T512 R513A494-T509 HydrophobicContact CB-CG2 4.3Å; D495-T509 WeakPolarHBondContact OD1-CG2 3.45Å; A506-T509 HydrophobicContact CB-CG2 3.61Å; L507-T509 VanDerWaalsContact C-N 3.26Å; L507-T509 PolarHBondContact O-N 3.37Å; T509-F511 PolarHBondContact O-N 2.89Å; T509-T512 PolarHBondContact O-N 3.42Å; T509-T512 VanDerWaalsContact O-N 3.14Å; T509-R513 VanDerWaalsContact O-CB 3.31Å; T509-R513 WeakPolarHBondContact O-CB 3.34Å; T509-R513 PolarHBondContact O-N 3.33Å
510D61.3Low72Confident10 Ų1052.2 Ų52.25%0.05325%0.251CS..Hα-helixtrans-57.2-37.8172.169.7-33.4000112.3K508 R513 T514 K516 R517 T518K508-D510 PolarHBondContact O-N 3.21Å; D510-R513 PolarHBondContact O-N 3.35Å; D510-T514 WeakPolarHBondContact O-CB 3.42Å; D510-T514 PolarHBondContact O-N 3.17Å; D510-T514 PolarHBondContact O-OG1 3.46Å; D510-K516 CarbonylContact C-O 3.37Å; D510-R517 WeakPolarHBondContact OD1-CD 3.49Å; D510-R517 IonicContact OD1-CZ 2.71Å; D510-R517 IonicContact OD1-NH1 3.88Å; D510-R517 PolarHBondContact OD1-NH1 3.42Å; D510-R517 WeakPolarHBondContact OD2-CA 3.3Å; D510-T518 PolarHBondContact OD2-N 3.24Å; D510-T518 PolarHBondContact OD2-OG1 3.05Å
511F57.2Low71.1Confident23 Ų2352.2 Ų52.210%0.10125%0.253CS..Hα-helixtrans-67.8-45.8173.6-176.6-99.5000112.3W388 V439 K508 T509 R513 G515W388-F511 HydrophobicContact CB-CZ 4.2Å; W388-F511 AromaticContact CD1-CE2 3.92Å; W388-F511 HydrophobicContact CD2-CD2 4.43Å; W388-F511 HydrophobicContact CD2-CE1 4.16Å; W388-F511 AromaticContact CD2-CE2 3.53Å; W388-F511 HydrophobicContact CD2-CE2 3.53Å; W388-F511 AromaticContact CD2-CZ 3.37Å; W388-F511 HydrophobicContact CD2-CZ 3.37Å; W388-F511 AromaticContact CE2-CE2 3.57Å; W388-F511 AromaticContact CE2-CZ 3.88Å; W388-F511 AromaticContact CE3-CE1 3.77Å; W388-F511 HydrophobicContact CE3-CE1 3.77Å; W388-F511 HydrophobicContact CE3-CE2 4.02Å; W388-F511 AromaticContact CE3-CZ 3.41Å; W388-F511 HydrophobicContact CE3-CZ 3.41Å; W388-F511 VanDerWaalsContact CE3-CZ 3.41Å; W388-F511 AromaticContact CG-CE2 3.75Å; W388-F511 HydrophobicContact CG-CE2 3.75Å; W388-F511 AromaticContact CG-CZ 3.73Å; W388-F511 HydrophobicContact CG-CZ 3.73Å; W388-F511 HydrophobicContact CH2-CD1 4.43Å; W388-F511 HydrophobicContact CH2-CE1 4.33Å; W388-F511 HydrophobicContact CH2-CE2 4.49Å; W388-F511 HydrophobicContact CH2-CZ 4.36Å; W388-F511 HydrophobicContact CZ2-CD2 4.19Å; W388-F511 HydrophobicContact CZ2-CE2 4.08Å; W388-F511 HydrophobicContact CZ2-CZ 4.35Å; W388-F511 HydrophobicContact CZ3-CD1 4.35Å; W388-F511 AromaticContact CZ3-CE1 3.86Å; W388-F511 HydrophobicContact CZ3-CE1 3.86Å; W388-F511 HydrophobicContact CZ3-CE2 4.46Å; W388-F511 AromaticContact CZ3-CZ 3.93Å; W388-F511 HydrophobicContact CZ3-CZ 3.93Å; W388-F511 AromaticContact NE1-CE2 3.83Å; V439-F511 HydrophobicContact CG1-CE1 4.34Å; V439-F511 HydrophobicContact CG2-CD1 4.46Å; K508-F511 WeakPolarHBondContact O-CB 3.21Å; K508-F511 PolarHBondContact O-N 2.89Å; K508-F511 VanDerWaalsContact O-N 3.17Å; T509-F511 PolarHBondContact O-N 2.89Å; F511-R513 PolarHBondContact O-N 3.07Å; F511-G515 WeakPolarHBondContact CD2-O 3.37Å; F511-G515 WeakPolarHBondContact CE2-O 3.36Å; F511-G515 WeakPolarHBondContact O-CA 3.36Å; F511-G515 PolarHBondContact O-N 3.38Å
512T61Low70.3Confident16 Ų1656.8 Ų56.810%0.09828%0.277CS..Hα-helixtrans-62.5-37.8177.5-54.70000110.6K487 W490 A491 T509K487-T512 VanDerWaalsContact CB-O 3.26Å; K487-T512 WeakPolarHBondContact CB-O 3.5Å; K487-T512 WeakPolarHBondContact CD-O 3.21Å; K487-T512 WeakPolarHBondContact CG-O 3.14Å; W490-T512 HydrophobicContact CB-CG2 4.07Å; A491-T512 HydrophobicContact CB-CG2 4.02Å; T509-T512 PolarHBondContact O-N 3.42Å; T509-T512 VanDerWaalsContact O-N 3.14Å
513R70.6Confident69.8Low150 Ų15061.7 Ų61.757%0.56630%0.302SS*.Hα-helixtrans-75.4-39.8-178.1-166.7173.572.195.4-1.6113.5A491 T509 D510 F511A491-R513 HydrophobicContact CB-CB 4.38Å; T509-R513 VanDerWaalsContact O-CB 3.31Å; T509-R513 WeakPolarHBondContact O-CB 3.34Å; T509-R513 PolarHBondContact O-N 3.33Å; D510-R513 PolarHBondContact O-N 3.35Å; F511-R513 PolarHBondContact O-N 3.07Å
514T55.6Low69.6Low59 Ų5963.3 Ų63.336%0.36231%0.306SS..Hα-helixtrans-119-13.7-17070.90000114.5D510 K516D510-T514 WeakPolarHBondContact O-CB 3.42Å; D510-T514 PolarHBondContact O-N 3.17Å; D510-T514 PolarHBondContact O-OG1 3.46Å; T514-K516 PolarHBondContact O-N 2.97Å; T514-K516 PolarHBondContact OG1-N 3.41Å; T514-K516 PolarHBondContact OG1-O 3.31Å
515G60.1Low69.6Low30 Ų3064.2 Ų64.231%0.30931%0.31SS..SBendtrans750.4-170.200000114.4F511F511-G515 WeakPolarHBondContact CD2-O 3.37Å; F511-G515 WeakPolarHBondContact CE2-O 3.36Å; F511-G515 WeakPolarHBondContact O-CA 3.36Å; F511-G515 PolarHBondContact O-N 3.38Å
516K61.1Low69.7Low161 Ų16164.2 Ų64.270%0.732%0.317SS*.SBendtrans-134.6157-178.9-65.7-175.8-178.5178.60111.3D510 T514D510-K516 CarbonylContact C-O 3.37Å; T514-K516 PolarHBondContact O-N 2.97Å; T514-K516 PolarHBondContact OG1-N 3.41Å; T514-K516 PolarHBondContact OG1-O 3.31Å
517R65.3Low70.2Confident85 Ų8570.3 Ų70.332%0.32134%0.34SS..  trans-85.5131.4171.2-70.4-58.5-145.414220.5110.4K508 D510 D525K508-R517 VanDerWaalsContact CB-CZ 3.46Å; K508-R517 VanDerWaalsContact CG-CZ 3.47Å; D510-R517 WeakPolarHBondContact OD1-CD 3.49Å; D510-R517 IonicContact OD1-CZ 2.71Å; D510-R517 IonicContact OD1-NH1 3.88Å; D510-R517 PolarHBondContact OD1-NH1 3.42Å; D510-R517 WeakPolarHBondContact OD2-CA 3.3Å; R517-D525 IonicContact CZ-OD2 3.3Å; R517-D525 IonicContact NH1-OD2 3.57Å; R517-D525 PolarHBondContact NH1-OD2 2.84Å; R517-D525 IonicContact NH2-OD2 3.6Å; R517-D525 PolarHBondContact NH2-OD2 3.43Å
518T70.4Confident70.6Confident52 Ų5271.9 Ų71.932%0.31935%0.345SS..  trans-108.414717862.50000110.4D510 Y520 G521 I522D510-T518 PolarHBondContact OD2-N 3.24Å; D510-T518 PolarHBondContact OD2-OG1 3.05Å; T518-Y520 VanDerWaalsContact C-N 3.28Å; T518-Y520 PolarHBondContact O-N 2.83Å; T518-G521 PolarHBondContact O-N 2.78Å; T518-G521 VanDerWaalsContact O-N 3.07Å; T518-G521 PolarHBondContact OG1-N 2.73Å; T518-I522 PolarHBondContact O-N 2.93Å
519F72Confident71.3Confident175 Ų17570.7 Ų70.777%0.76834%0.342SS*.Hα-helixtrans-57.4-42.8177.1-179.9-98.2000111.9G521 I522 L523F519-G521 VanDerWaalsContact C-N 3.34Å; F519-G521 PolarHBondContact O-N 2.91Å; F519-I522 PolarHBondContact O-N 2.89Å; F519-L523 PolarHBondContact O-N 3.26Å; F519-L523 VanDerWaalsContact O-N 3.08Å
520Y72.9Confident72.3Confident160 Ų16074.7 Ų74.763%0.62736%0.361SS*.Hα-helixtrans-60-42173.9-178.2-98.2000112.4T518 I522 L523 M524T518-Y520 VanDerWaalsContact C-N 3.28Å; T518-Y520 PolarHBondContact O-N 2.83Å; Y520-I522 VanDerWaalsContact C-N 3.35Å; Y520-I522 PolarHBondContact O-N 2.9Å; Y520-L523 PolarHBondContact O-N 3.05Å; Y520-M524 HydrophobicContact CD1-CG 4.28Å; Y520-M524 HydrophobicContact CE1-CE 4.19Å; Y520-M524 HydrophobicContact CE1-CG 3.87Å; Y520-M524 HydrophobicContact CE2-CE 4.01Å; Y520-M524 VanDerWaalsContact CZ-CE 3.49Å; Y520-M524 PolarHBondContact O-N 3.3Å; Y520-M524 WeakPolarHBondContact OH-CE 3.49Å
521G73.4Confident73.6Confident8 Ų876.4 Ų76.48%0.08237%0.37CS..Hα-helixtrans-61.2-40.1175.100000113T518 F519 M524 D525T518-G521 PolarHBondContact O-N 2.78Å; T518-G521 VanDerWaalsContact O-N 3.07Å; T518-G521 PolarHBondContact OG1-N 2.73Å; F519-G521 VanDerWaalsContact C-N 3.34Å; F519-G521 PolarHBondContact O-N 2.91Å; G521-M524 PolarHBondContact O-N 3.18Å; G521-D525 WeakPolarHBondContact O-CB 3.25Å; G521-D525 VanDerWaalsContact O-CG 3.28Å; G521-D525 PolarHBondContact O-N 2.87Å
522I75.2Confident75Confident98 Ų9875.6 Ų75.650%0.50337%0.366SS..Hα-helixtrans-65.2-41.4176-64.9169.1000111.4T518 F519 Y520 D525 G526T518-I522 PolarHBondContact O-N 2.93Å; F519-I522 PolarHBondContact O-N 2.89Å; Y520-I522 VanDerWaalsContact C-N 3.35Å; Y520-I522 PolarHBondContact O-N 2.9Å; I522-D525 PolarHBondContact O-N 2.98Å; I522-G526 PolarHBondContact O-N 3.09Å
523L77.4Confident76.3Confident103 Ų10377.8 Ų77.854%0.53937%0.373SS..Hα-helixtrans-64.1-45.3176.9-172.5152.8000111.3F519 Y520 G526 Y527F519-L523 PolarHBondContact O-N 3.26Å; F519-L523 VanDerWaalsContact O-N 3.08Å; Y520-L523 PolarHBondContact O-N 3.05Å; L523-G526 PolarHBondContact O-N 3.04Å; L523-Y527 PolarHBondContact O-N 3.1Å
524M80.4Confident77.2Confident51 Ų5176.5 Ų76.525%0.25137%0.369SS..Hα-helixtrans-64.2-39.7175.8-76.9-60.1-16900112.4Y520 G521 G526 Y527 Y528Y520-M524 HydrophobicContact CD1-CG 4.28Å; Y520-M524 HydrophobicContact CE1-CE 4.19Å; Y520-M524 HydrophobicContact CE1-CG 3.87Å; Y520-M524 HydrophobicContact CE2-CE 4.01Å; Y520-M524 VanDerWaalsContact CZ-CE 3.49Å; Y520-M524 PolarHBondContact O-N 3.3Å; Y520-M524 WeakPolarHBondContact OH-CE 3.49Å; G521-M524 PolarHBondContact O-N 3.18Å; M524-G526 PolarHBondContact O-N 3.36Å; M524-Y527 PolarHBondContact O-N 2.86Å; M524-Y527 HydrophobicContact SD-CD1 4.48Å; M524-Y528 HydrophobicContact CB-CD2 4.41Å; M524-Y528 HydrophobicContact CB-CE2 4.18Å; M524-Y528 WeakPolarHBondContact O-CD2 3.42Å; M524-Y528 PolarHBondContact O-N 2.76Å
525D81.4Confident78.8Confident21 Ų2174.7 Ų74.711%0.11236%0.357CS..Hα-helixtrans-57.6-40.7173.2-80.5-7000111L507 K508 R517 G521 I522 S529L507-D525 WeakPolarHBondContact CA-OD1 3.35Å; L507-D525 HydrophobicContact CD2-CB 3.98Å; L507-D525 WeakPolarHBondContact CD2-O 3.27Å; K508-D525 PolarHBondContact N-OD1 3.33Å; K508-D525 PolarHBondContact N-OD2 2.89Å; R517-D525 IonicContact CZ-OD2 3.3Å; R517-D525 IonicContact NH1-OD2 3.57Å; R517-D525 PolarHBondContact NH1-OD2 2.84Å; R517-D525 IonicContact NH2-OD2 3.6Å; R517-D525 PolarHBondContact NH2-OD2 3.43Å; G521-D525 WeakPolarHBondContact O-CB 3.25Å; G521-D525 VanDerWaalsContact O-CG 3.28Å; G521-D525 PolarHBondContact O-N 2.87Å; I522-D525 PolarHBondContact O-N 2.98Å; D525-S529 WeakPolarHBondContact O-CB 3.49Å; D525-S529 PolarHBondContact O-N 3.49Å; D525-S529 PolarHBondContact O-OG 2.87Å
526G80.5Confident80Confident35 Ų3573.4 Ų73.436%0.36134%0.343SS..Hα-helixtrans-64.2-48.1175.400000112.7I522 L523 M524 S529 I530I522-G526 PolarHBondContact O-N 3.09Å; L523-G526 PolarHBondContact O-N 3.04Å; M524-G526 PolarHBondContact O-N 3.36Å; G526-S529 WeakPolarHBondContact O-CB 3.45Å; G526-S529 PolarHBondContact O-N 3.33Å; G526-I530 PolarHBondContact O-N 2.78Å
527Y85.7Confident81.2Confident131 Ų13165.8 Ų65.851%0.51431%0.31SS..Hα-helixtrans-58.5-48.6176.4176.7-108.3000112.2L523 M524 S529 I530 I531L523-Y527 PolarHBondContact O-N 3.1Å; M524-Y527 PolarHBondContact O-N 2.86Å; M524-Y527 HydrophobicContact SD-CD1 4.48Å; Y527-S529 VanDerWaalsContact C-N 3.28Å; Y527-S529 PolarHBondContact O-N 2.89Å; Y527-I530 WeakPolarHBondContact O-CB 3.43Å; Y527-I530 PolarHBondContact O-N 3.03Å; Y527-I531 HydrophobicContact CD1-CD1 3.83Å; Y527-I531 HydrophobicContact CE1-CD1 3.28Å; Y527-I531 HydrophobicContact CE1-CG1 4.4Å; Y527-I531 HydrophobicContact CE2-CD1 4.22Å; Y527-I531 PolarHBondContact O-N 2.94Å; Y527-I531 VanDerWaalsContact O-N 3.1Å
528Y85.9Confident82.3Confident61 Ų6165.5 Ų65.524%0.23931%0.311CS..Hα-helixtrans-66.1-30177.1-68.4-50.8000112.9P505 M524 I530 I531 R532P505-Y528 HydrophobicContact CB-CE2 4.3Å; P505-Y528 HydrophobicContact CG-CE1 3.96Å; P505-Y528 HydrophobicContact CG-CE2 4.29Å; M524-Y528 HydrophobicContact CB-CD2 4.41Å; M524-Y528 HydrophobicContact CB-CE2 4.18Å; M524-Y528 WeakPolarHBondContact O-CD2 3.42Å; M524-Y528 PolarHBondContact O-N 2.76Å; Y528-I530 VanDerWaalsContact C-N 3.33Å; Y528-I530 PolarHBondContact O-N 3.39Å; Y528-I531 HydrophobicContact CD1-CD1 4.12Å; Y528-I531 PolarHBondContact O-N 3.42Å; Y528-R532 WeakPolarHBondContact O-CB 3.4Å; Y528-R532 VanDerWaalsContact O-CG 3.31Å; Y528-R532 WeakPolarHBondContact O-CG 3.45Å; Y528-R532 PolarHBondContact O-N 3.35Å
529S85Confident83.2Confident22 Ų2266 Ų6615%0.15431%0.312CS..Hα-helixtrans-64.7-36.8173.8-630000112.4D525 G526 Y527 Y533D525-S529 WeakPolarHBondContact O-CB 3.49Å; D525-S529 PolarHBondContact O-N 3.49Å; D525-S529 PolarHBondContact O-OG 2.87Å; G526-S529 WeakPolarHBondContact O-CB 3.45Å; G526-S529 PolarHBondContact O-N 3.33Å; Y527-S529 VanDerWaalsContact C-N 3.28Å; Y527-S529 PolarHBondContact O-N 2.89Å; S529-Y533 PolarHBondContact O-N 3.35Å
530I86.2Confident84Confident117 Ų11757.7 Ų57.760%0.628%0.275SS*.Hα-helixtrans-67.7-44.6173.7-63.8168.4000110.5G526 Y527 Y528 R532 Y533 Y534G526-I530 PolarHBondContact O-N 2.78Å; Y527-I530 WeakPolarHBondContact O-CB 3.43Å; Y527-I530 PolarHBondContact O-N 3.03Å; Y528-I530 VanDerWaalsContact C-N 3.33Å; Y528-I530 PolarHBondContact O-N 3.39Å; I530-R532 PolarHBondContact O-N 3.18Å; I530-Y533 WeakPolarHBondContact O-CB 3.43Å; I530-Y533 PolarHBondContact O-N 3.31Å; I530-Y534 PolarHBondContact O-N 3.35Å
531I87.7Confident84.8Confident47 Ų4750 Ų5024%0.24125%0.245CC..Hα-helixtrans-60.8-46.3176-65.5170.1000110.6T504 Y527 Y528 Y533 Y534 L535T504-I531 HydrophobicContact CG2-CB 3.9Å; T504-I531 HydrophobicContact CG2-CG2 3.49Å; T504-I531 VanDerWaalsContact CG2-CG2 3.49Å; Y527-I531 HydrophobicContact CD1-CD1 3.83Å; Y527-I531 HydrophobicContact CE1-CD1 3.28Å; Y527-I531 HydrophobicContact CE1-CG1 4.4Å; Y527-I531 HydrophobicContact CE2-CD1 4.22Å; Y527-I531 PolarHBondContact O-N 2.94Å; Y527-I531 VanDerWaalsContact O-N 3.1Å; Y528-I531 HydrophobicContact CD1-CD1 4.12Å; Y528-I531 PolarHBondContact O-N 3.42Å; I531-Y533 VanDerWaalsContact C-N 3.26Å; I531-Y533 PolarHBondContact O-N 2.88Å; I531-Y534 PolarHBondContact O-N 2.91Å; I531-Y534 VanDerWaalsContact O-N 3.09Å; I531-L535 HydrophobicContact CG2-CD1 3.73Å; I531-L535 HydrophobicContact CG2-CG 3.94Å; I531-L535 WeakPolarHBondContact O-CG 3.44Å; I531-L535 PolarHBondContact O-N 2.91Å
532R87.7Confident85.7Confident6 Ų651.9 Ų51.92%0.02325%0.251CS..Hα-helixtrans-54.4-45.1175.4-76.7179.5-177.2-178.54.6110.8S498 T504 P505 L507 Y528 I530 Y534 L535 N536S498-R532 PolarHBondContact OG-NH2 3.17Å; T504-R532 HydrophobicContact CG2-CG 3.62Å; T504-R532 WeakPolarHBondContact OG1-CG 3.26Å; T504-R532 PolarHBondContact OG1-NE 2.93Å; P505-R532 PolarHBondContact O-NH2 3.02Å; L507-R532 VanDerWaalsContact CD1-NH1 3.3Å; Y528-R532 WeakPolarHBondContact O-CB 3.4Å; Y528-R532 VanDerWaalsContact O-CG 3.31Å; Y528-R532 WeakPolarHBondContact O-CG 3.45Å; Y528-R532 PolarHBondContact O-N 3.35Å; I530-R532 PolarHBondContact O-N 3.18Å; R532-Y534 PolarHBondContact O-N 2.99Å; R532-L535 PolarHBondContact O-N 3.4Å; R532-N536 WeakPolarHBondContact O-CB 3.27Å; R532-N536 PolarHBondContact O-N 2.79Å; R532-N536 PolarHBondContact O-ND2 3.01Å
533Y88.1Confident86.5Confident61 Ų6149 Ų4924%0.23923%0.234CC..Hα-helixtrans-58.2-45.7176.4173.8-93.6000112.4L285 Y287 S529 I530 I531 N537L285-Y533 WeakPolarHBondContact O-CE2 3.35Å; L285-Y533 PolarHBondContact O-OH 2.71Å; Y287-Y533 AromaticContact CD2-CD2 3.93Å; Y287-Y533 HydrophobicContact CD2-CD2 3.93Å; Y287-Y533 HydrophobicContact CD2-CG 4.45Å; S529-Y533 PolarHBondContact O-N 3.35Å; I530-Y533 WeakPolarHBondContact O-CB 3.43Å; I530-Y533 PolarHBondContact O-N 3.31Å; I531-Y533 VanDerWaalsContact C-N 3.26Å; I531-Y533 PolarHBondContact O-N 2.88Å; Y533-N537 PolarHBondContact O-N 2.91Å; Y533-N537 PolarHBondContact O-ND2 2.77Å
534Y89.1Confident87.3Confident123 Ų12344.8 Ų44.848%0.48221%0.211SC..Hα-helixtrans-63.4-50.6176.7177.8-94.7000111.8I530 I531 R532 N536 N537 F538I530-Y534 PolarHBondContact O-N 3.35Å; I531-Y534 PolarHBondContact O-N 2.91Å; I531-Y534 VanDerWaalsContact O-N 3.09Å; R532-Y534 PolarHBondContact O-N 2.99Å; Y534-N536 PolarHBondContact O-N 2.83Å; Y534-N537 PolarHBondContact O-N 2.76Å; Y534-F538 AromaticContact CD2-CD2 3.58Å; Y534-F538 HydrophobicContact CD2-CD2 3.58Å; Y534-F538 HydrophobicContact CD2-CE2 4.26Å; Y534-F538 HydrophobicContact CD2-CG 4.45Å; Y534-F538 HydrophobicContact CE2-CB 4.24Å; Y534-F538 AromaticContact CE2-CD2 3.84Å; Y534-F538 HydrophobicContact CE2-CD2 3.84Å; Y534-F538 HydrophobicContact CE2-CG 4.32Å; Y534-F538 HydrophobicContact CG-CD2 4.22Å; Y534-F538 WeakPolarHBondContact O-CB 3.43Å; Y534-F538 WeakPolarHBondContact O-CD2 3.5Å; Y534-F538 PolarHBondContact O-N 2.84Å
535L88.8Confident87.8Confident21 Ų2142.4 Ų42.411%0.1120%0.2CC..Hα-helixtrans-59.6-50-178.6-68.6179.6000112G503 T504 I531 R532 N537 F538 N539 D540G503-L535 WeakPolarHBondContact O-CD1 3.5Å; T504-L535 HydrophobicContact CG2-CD1 4.01Å; I531-L535 HydrophobicContact CG2-CD1 3.73Å; I531-L535 HydrophobicContact CG2-CG 3.94Å; I531-L535 WeakPolarHBondContact O-CG 3.44Å; I531-L535 PolarHBondContact O-N 2.91Å; R532-L535 PolarHBondContact O-N 3.4Å; L535-N537 PolarHBondContact O-N 2.79Å; L535-N537 VanDerWaalsContact O-N 3.14Å; L535-F538 PolarHBondContact O-N 2.91Å; L535-N539 HydrophobicContact CD2-CB 3.86Å; L535-N539 WeakPolarHBondContact CD2-ND2 3.24Å; L535-N539 PolarHBondContact O-N 2.86Å; L535-D540 VanDerWaalsContact O-CB 3.3Å; L535-D540 WeakPolarHBondContact O-CB 3.2Å; L535-D540 PolarHBondContact O-N 2.79Å
536N87.2Confident88.5Confident4 Ų441.5 Ų41.52%0.02120%0.195CC..Hα-helixtrans-53.7-35.1179.9-76.2-21.9000113.4F238 R532 Y534 D540F238-N536 HydrophobicContact CD2-CB 3.64Å; F238-N536 HydrophobicContact CE2-CB 3.86Å; F238-N536 WeakPolarHBondContact CE2-ND2 3.16Å; R532-N536 WeakPolarHBondContact O-CB 3.27Å; R532-N536 PolarHBondContact O-N 2.79Å; R532-N536 PolarHBondContact O-ND2 3.01Å; Y534-N536 PolarHBondContact O-N 2.83Å; N536-D540 WeakPolarHBondContact CA-OD2 3.32Å; N536-D540 PolarHBondContact OD1-OD2 3.03Å
537N86Confident89.2Confident1 Ų140 Ų401%0.00518%0.179CC..Hα-helixtrans-96.5-31.9-176.3-70.4-67.2000112.7L285 Y533 Y534 L535 V640 N641L285-N537 VanDerWaalsContact CA-OD1 3.31Å; L285-N537 WeakPolarHBondContact CA-OD1 3.45Å; L285-N537 HydrophobicContact CD2-CB 4Å; L285-N537 PolarHBondContact N-OD1 2.79Å; L285-N537 VanDerWaalsContact N-OD1 3.07Å; Y533-N537 PolarHBondContact O-N 2.91Å; Y533-N537 PolarHBondContact O-ND2 2.77Å; Y534-N537 PolarHBondContact O-N 2.76Å; L535-N537 PolarHBondContact O-N 2.79Å; L535-N537 VanDerWaalsContact O-N 3.14Å; N537-V640 HydrophobicContact CB-CG2 4.38Å; N537-V640 CarbonylContact O-C 3.57Å; N537-V640 VanDerWaalsContact O-CA 3.3Å; N537-V640 WeakPolarHBondContact O-CA 3.1Å; N537-N641 PolarHBondContact O-N 2.89Å
538F88.1Confident89.6Confident79 Ų7933.9 Ų33.935%0.34616%0.155SC..Hα-helixtrans-120.6-19.6-166.1-57.4-64.3000115.5L285 Y534 L535 N641L285-F538 HydrophobicContact CD2-CE1 4.03Å; L285-F538 HydrophobicContact CD2-CZ 3.69Å; Y534-F538 AromaticContact CD2-CD2 3.58Å; Y534-F538 HydrophobicContact CD2-CD2 3.58Å; Y534-F538 HydrophobicContact CD2-CE2 4.26Å; Y534-F538 HydrophobicContact CD2-CG 4.45Å; Y534-F538 HydrophobicContact CE2-CB 4.24Å; Y534-F538 AromaticContact CE2-CD2 3.84Å; Y534-F538 HydrophobicContact CE2-CD2 3.84Å; Y534-F538 HydrophobicContact CE2-CG 4.32Å; Y534-F538 HydrophobicContact CG-CD2 4.22Å; Y534-F538 WeakPolarHBondContact O-CB 3.43Å; Y534-F538 WeakPolarHBondContact O-CD2 3.5Å; Y534-F538 PolarHBondContact O-N 2.84Å; L535-F538 PolarHBondContact O-N 2.91Å; F538-N641 VanDerWaalsContact C-CB 3.44Å; F538-N641 WeakPolarHBondContact O-CB 3.46Å
539N88Confident90Very high62 Ų6231.2 Ų31.233%0.33215%0.145SC..THydrogen-bonded Turntrans-122-21.5-177.4-73.2-5.2000114.1L535 G541 F542 R543L535-N539 HydrophobicContact CD2-CB 3.86Å; L535-N539 WeakPolarHBondContact CD2-ND2 3.24Å; L535-N539 PolarHBondContact O-N 2.86Å; N539-G541 VanDerWaalsContact C-N 3.3Å; N539-G541 PolarHBondContact O-N 3.11Å; N539-F542 PolarHBondContact O-N 3.43Å; N539-R543 WeakPolarHBondContact O-CG 3.5Å; N539-R543 PolarHBondContact O-N 2.78Å
540D90.5Very high90.5Very high0 Ų030.1 Ų30.10%014%0.137CC..Hα-helixtrans-71.5-20.3-167.8-939.5000114.5T236 L535 N536 R543 Q544T236-D540 WeakPolarHBondContact CB-OD2 3.34Å; T236-D540 HydrophobicContact CG2-CB 3.97Å; T236-D540 WeakPolarHBondContact CG2-O 3.45Å; T236-D540 PolarHBondContact OG1-O 2.83Å; L535-D540 VanDerWaalsContact O-CB 3.3Å; L535-D540 WeakPolarHBondContact O-CB 3.2Å; L535-D540 PolarHBondContact O-N 2.79Å; N536-D540 WeakPolarHBondContact CA-OD2 3.32Å; N536-D540 PolarHBondContact OD1-OD2 3.03Å; D540-R543 IonicContact OD1-CZ 3.44Å; D540-R543 IonicContact OD1-NE 3.63Å; D540-R543 IonicContact OD1-NH1 3.34Å; D540-R543 PolarHBondContact OD1-NH1 2.82Å; D540-Q544 WeakPolarHBondContact O-CB 3.3Å; D540-Q544 PolarHBondContact O-N 2.88Å
541G89.8Confident91Very high0 Ų025.5 Ų25.50%011%0.114CC..Hα-helixtrans-66.1-53.116900000111.5N539 R543 Q544 D545 N641N539-G541 VanDerWaalsContact C-N 3.3Å; N539-G541 PolarHBondContact O-N 3.11Å; G541-R543 VanDerWaalsContact C-N 3.3Å; G541-R543 PolarHBondContact O-N 2.95Å; G541-Q544 PolarHBondContact O-N 3.24Å; G541-Q544 VanDerWaalsContact O-N 3.14Å; G541-D545 PolarHBondContact O-N 3.36Å; G541-N641 WeakPolarHBondContact CA-O 3.29Å; G541-N641 WeakPolarHBondContact CA-OD1 3.06Å; G541-N641 PolarHBondContact N-O 3.09Å; G541-N641 VanDerWaalsContact N-O 3.13Å; G541-N641 PolarHBondContact N-OD1 2.95Å; G541-N641 VanDerWaalsContact N-OD1 3.14Å
542F91.1Very high91.3Very high47 Ų4724.2 Ų24.221%0.20611%0.112CC..Hα-helixtrans-58.1-40.4175.5179.2-90.6000112.7H116 M117 N539 D545 S546 N641H116-F542 HydrophobicContact CB-CZ 4.37Å; H116-F542 AromaticContact CD2-CE1 3.95Å; H116-F542 AromaticContact CD2-CE2 3.97Å; H116-F542 AromaticContact CD2-CZ 3.3Å; H116-F542 WeakPolarHBondContact CD2-CZ 3.5Å; M117-F542 HydrophobicContact CB-CE2 4.41Å; M117-F542 HydrophobicContact CB-CZ 4.08Å; M117-F542 HydrophobicContact CE-CD2 3.96Å; M117-F542 HydrophobicContact CE-CE2 3.92Å; M117-F542 HydrophobicContact CG-CD2 4.07Å; M117-F542 HydrophobicContact CG-CE1 4.29Å; M117-F542 HydrophobicContact CG-CE2 3.32Å; M117-F542 HydrophobicContact CG-CZ 3.44Å; M117-F542 VanDerWaalsContact CG-CZ 3.44Å; M117-F542 HydrophobicContact SD-CE2 4.5Å; N539-F542 PolarHBondContact O-N 3.43Å; F542-D545 PolarHBondContact O-N 2.69Å; F542-S546 WeakPolarHBondContact O-CB 3.27Å; F542-S546 PolarHBondContact O-N 2.91Å; F542-S546 PolarHBondContact O-OG 3.23Å; F542-N641 PolarHBondContact N-OD1 2.87Å
543R92.7Very high91.4Very high38 Ų3827.5 Ų27.514%0.14313%0.128CC..Hα-helixtrans-65.1-40.2176.7-71.3176.363.8-155.44.3112.1T236 L499 G503 N539 D540 G541 S546 M547T236-R543 HydrophobicContact CG2-CB 3.9Å; L499-R543 PolarHBondContact O-NH2 3.46Å; G503-R543 VanDerWaalsContact CA-CZ 3.47Å; N539-R543 WeakPolarHBondContact O-CG 3.5Å; N539-R543 PolarHBondContact O-N 2.78Å; D540-R543 IonicContact OD1-CZ 3.44Å; D540-R543 IonicContact OD1-NE 3.63Å; D540-R543 IonicContact OD1-NH1 3.34Å; D540-R543 PolarHBondContact OD1-NH1 2.82Å; G541-R543 VanDerWaalsContact C-N 3.3Å; G541-R543 PolarHBondContact O-N 2.95Å; R543-S546 WeakPolarHBondContact O-CB 3.37Å; R543-S546 PolarHBondContact O-N 2.87Å; R543-M547 WeakPolarHBondContact O-CG 3.34Å; R543-M547 PolarHBondContact O-N 3.15Å; R543-M547 VanDerWaalsContact O-N 3.12Å
544Q92.8Very high91.6Very high13 Ų1325.6 Ų25.66%0.06112%0.12CC..Hα-helixtrans-67.5-43.2176.2174.7155.1-14.300111.4T236 T240 D540 G541 S546 M547 H548 P643T236-Q544 HydrophobicContact CG2-CB 4.26Å; T236-Q544 PolarHBondContact OG1-OE1 2.77Å; T240-Q544 PolarHBondContact OG1-NE2 2.99Å; T240-Q544 PolarHBondContact OG1-OE1 2.93Å; D540-Q544 WeakPolarHBondContact O-CB 3.3Å; D540-Q544 PolarHBondContact O-N 2.88Å; G541-Q544 PolarHBondContact O-N 3.24Å; G541-Q544 VanDerWaalsContact O-N 3.14Å; Q544-S546 VanDerWaalsContact C-N 3.27Å; Q544-S546 PolarHBondContact O-N 3.39Å; Q544-M547 WeakPolarHBondContact O-CB 3.01Å; Q544-M547 PolarHBondContact O-N 3.4Å; Q544-H548 WeakPolarHBondContact CG-NE2 3.3Å; Q544-H548 PolarHBondContact NE2-CE1 3.36Å; Q544-H548 VanDerWaalsContact NE2-CE1 3.34Å; Q544-H548 PolarHBondContact NE2-NE2 3.22Å; Q544-H548 PolarHBondContact O-N 3.36Å; Q544-P643 HydrophobicContact CB-CB 4.12Å; Q544-P643 HydrophobicContact CG-CB 3.98Å; Q544-P643 HydrophobicContact CG-CG 4.47Å
545D92.8Very high91.6Very high2 Ų224.9 Ų24.91%0.01112%0.12CC..Hα-helixtrans-58.4-41.2174.1-71.8-17.3000111.6M117 G541 F542 M547 H548 L549 P643 R644 F645M117-D545 HydrophobicContact CE-CB 3.88Å; M117-D545 HydrophobicContact SD-CB 4.33Å; G541-D545 PolarHBondContact O-N 3.36Å; F542-D545 PolarHBondContact O-N 2.69Å; D545-M547 VanDerWaalsContact C-N 3.33Å; D545-M547 PolarHBondContact O-N 2.88Å; D545-H548 PolarHBondContact O-N 3.08Å; D545-L549 WeakPolarHBondContact O-CB 3.32Å; D545-L549 PolarHBondContact O-N 3.34Å; D545-P643 WeakPolarHBondContact OD1-CA 3.36Å; D545-P643 WeakPolarHBondContact OD1-CB 3.47Å; D545-R644 VanDerWaalsContact CG-N 3.29Å; D545-R644 PolarHBondContact OD1-N 2.94Å; D545-R644 WeakPolarHBondContact OD2-CB 3.41Å; D545-R644 PolarHBondContact OD2-N 3.33Å; D545-F645 HydrophobicContact CB-CD2 3.52Å; D545-F645 HydrophobicContact CB-CE2 3.61Å; D545-F645 HydrophobicContact CB-CG 4.25Å; D545-F645 HydrophobicContact CB-CZ 4.38Å; D545-F645 WeakPolarHBondContact O-CD2 3.48Å; D545-F645 PolarHBondContact OD1-N 2.66Å
546S94.8Very high91.7Very high1 Ų124 Ų241%0.00712%0.115CC..Hα-helixtrans-60.4-39.4174.1-54.40000112.9M117 F542 R543 Q544 L550M117-S546 WeakPolarHBondContact CA-OG 3.35Å; M117-S546 WeakPolarHBondContact CB-OG 3.22Å; M117-S546 WeakPolarHBondContact O-CB 3.38Å; M117-S546 PolarHBondContact O-OG 3.03Å; F542-S546 WeakPolarHBondContact O-CB 3.27Å; F542-S546 PolarHBondContact O-N 2.91Å; F542-S546 PolarHBondContact O-OG 3.23Å; R543-S546 WeakPolarHBondContact O-CB 3.37Å; R543-S546 PolarHBondContact O-N 2.87Å; Q544-S546 VanDerWaalsContact C-N 3.27Å; Q544-S546 PolarHBondContact O-N 3.39Å; S546-L550 PolarHBondContact O-N 3.44Å; S546-L550 VanDerWaalsContact O-N 3.09Å
547M94.7Very high91.8Very high4 Ų425.4 Ų25.42%0.0212%0.122CC..Hα-helixtrans-66.5-45.8174.8-66.9175.9-159.400111.2I121 T234 T236 R543 Q544 D545 L549 L550 L551I121-M547 HydrophobicContact CD1-CE 4.43Å; I121-M547 HydrophobicContact CD1-CG 3.69Å; I121-M547 HydrophobicContact CG1-CG 4.42Å; T234-M547 HydrophobicContact CG2-CB 4.04Å; T234-M547 HydrophobicContact CG2-CG 4.22Å; T234-M547 HydrophobicContact CG2-SD 3.53Å; T234-M547 VanDerWaalsContact CG2-SD 3.53Å; T236-M547 HydrophobicContact CG2-CE 4.27Å; R543-M547 WeakPolarHBondContact O-CG 3.34Å; R543-M547 PolarHBondContact O-N 3.15Å; R543-M547 VanDerWaalsContact O-N 3.12Å; Q544-M547 WeakPolarHBondContact O-CB 3.01Å; Q544-M547 PolarHBondContact O-N 3.4Å; D545-M547 VanDerWaalsContact C-N 3.33Å; D545-M547 PolarHBondContact O-N 2.88Å; M547-L549 VanDerWaalsContact C-N 3.29Å; M547-L549 PolarHBondContact O-N 2.93Å; M547-L550 PolarHBondContact O-N 3.05Å; M547-L551 WeakPolarHBondContact O-CB 3.32Å; M547-L551 VanDerWaalsContact O-CG 3.3Å; M547-L551 WeakPolarHBondContact O-CG 3.43Å; M547-L551 PolarHBondContact O-N 3.5Å
548H94.2Very high91.7Very high2 Ų227.8 Ų27.81%0.00913%0.134CC..Hα-helixtrans-61.4-38.6179.2-64.6172.8000111.8Q544 D545 G552 Q553 Y554 F645Q544-H548 WeakPolarHBondContact CG-NE2 3.3Å; Q544-H548 PolarHBondContact NE2-CE1 3.36Å; Q544-H548 VanDerWaalsContact NE2-CE1 3.34Å; Q544-H548 PolarHBondContact NE2-NE2 3.22Å; Q544-H548 PolarHBondContact O-N 3.36Å; D545-H548 PolarHBondContact O-N 3.08Å; H548-G552 PolarHBondContact O-N 3.29Å; H548-Q553 HydrophobicContact CB-CB 4.18Å; H548-Q553 PolarHBondContact CD2-OE1 3.01Å; H548-Q553 PolarHBondContact O-N 3.08Å; H548-Y554 PolarHBondContact O-N 2.74Å; H548-F645 HydrophobicContact CB-CB 4.34Å; H548-F645 HydrophobicContact CB-CD2 4.29Å; H548-F645 PolarHBondContact CE1-O 2.71Å; H548-F645 PolarHBondContact ND1-O 3.26Å
549L94.7Very high91.3Very high5 Ų530.9 Ų30.93%0.02616%0.16CC..Hα-helixtrans-65.9-48.3175.6-179.263.8000111.7L62 Y114 M117 L118 D545 M547 L551 G552 Y554 V556L62-L549 HydrophobicContact CD2-CD1 4.41Å; Y114-L549 HydrophobicContact CD1-CD2 4.04Å; M117-L549 HydrophobicContact CB-CD2 3.96Å; M117-L549 HydrophobicContact SD-CD2 4.32Å; L118-L549 HydrophobicContact CD2-CD2 3.96Å; L118-L549 HydrophobicContact CD2-CG 4Å; L118-L549 HydrophobicContact CG-CD2 3.8Å; L118-L549 HydrophobicContact CG-CG 4.37Å; D545-L549 WeakPolarHBondContact O-CB 3.32Å; D545-L549 PolarHBondContact O-N 3.34Å; M547-L549 VanDerWaalsContact C-N 3.29Å; M547-L549 PolarHBondContact O-N 2.93Å; L549-L551 PolarHBondContact O-N 3.36Å; L549-G552 PolarHBondContact O-N 3.41Å; L549-Y554 HydrophobicContact CD1-CD1 4.22Å; L549-V556 HydrophobicContact CD1-CG2 4.07Å
550L96.6Very high90.9Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-62.6-42.6179.8-176.275.1000112.3W57 L118 I121 L122 F127 W164 L168 S546 M547 G552W57-L550 HydrophobicContact CE3-CD1 4.5Å; W57-L550 HydrophobicContact CZ3-CD1 4.41Å; W57-L550 HydrophobicContact CZ3-CD2 4.24Å; L118-L550 HydrophobicContact CD2-CD1 4.34Å; I121-L550 HydrophobicContact CG1-CB 4.45Å; I121-L550 HydrophobicContact CG1-CD2 3.67Å; I121-L550 HydrophobicContact CG2-CB 3.92Å; I121-L550 HydrophobicContact CG2-CD1 4.29Å; I121-L550 HydrophobicContact CG2-CD2 4.02Å; I121-L550 HydrophobicContact CG2-CG 4.3Å; L122-L550 HydrophobicContact CD2-CD1 3.95Å; L122-L550 HydrophobicContact CG-CD1 4.4Å; F127-L550 HydrophobicContact CZ-CD2 4.2Å; W164-L550 HydrophobicContact CE3-CD2 4.39Å; L168-L550 HydrophobicContact CD1-CD1 3.85Å; S546-L550 PolarHBondContact O-N 3.44Å; S546-L550 VanDerWaalsContact O-N 3.09Å; M547-L550 PolarHBondContact O-N 3.05Å; L550-G552 PolarHBondContact O-N 2.83Å
551L95.9Very high90.4Very high20 Ų2035.7 Ų35.711%0.10519%0.194CC..THydrogen-bonded Turntrans-75.1-6.6-178.9-67.4176000113.1W164 S167 V231 T234 M547 L549 Q553W164-L551 HydrophobicContact CB-CD2 4.46Å; W164-L551 HydrophobicContact CD2-CD2 4.02Å; W164-L551 HydrophobicContact CE3-CD2 3.77Å; W164-L551 HydrophobicContact CE3-CG 4.4Å; W164-L551 HydrophobicContact CG-CD2 4.38Å; W164-L551 HydrophobicContact CZ3-CD1 4.36Å; W164-L551 HydrophobicContact CZ3-CD2 4.22Å; W164-L551 HydrophobicContact CZ3-CG 4.42Å; W164-L551 WeakPolarHBondContact O-CD2 3.43Å; S167-L551 WeakPolarHBondContact CB-O 3.4Å; V231-L551 HydrophobicContact CB-CD1 4.43Å; V231-L551 HydrophobicContact CB-CD2 4.05Å; V231-L551 HydrophobicContact CG1-CD2 3.81Å; T234-L551 HydrophobicContact CG2-CD1 3.91Å; M547-L551 WeakPolarHBondContact O-CB 3.32Å; M547-L551 VanDerWaalsContact O-CG 3.3Å; M547-L551 WeakPolarHBondContact O-CG 3.43Å; M547-L551 PolarHBondContact O-N 3.5Å; L549-L551 PolarHBondContact O-N 3.36Å; L551-Q553 HydrophobicContact CB-CG 4.06Å; L551-Q553 PolarHBondContact O-N 3.36Å
552G93.4Very high90.2Very high20 Ų2040.2 Ų40.221%0.20622%0.218CC..THydrogen-bonded Turntrans72.813.3-176.500000114.4H548 L549 L550 Y554H548-G552 PolarHBondContact O-N 3.29Å; L549-G552 PolarHBondContact O-N 3.41Å; L550-G552 PolarHBondContact O-N 2.83Å; G552-Y554 VanDerWaalsContact C-N 3.32Å
553Q91Very high89.9Confident75 Ų7540.6 Ų40.635%0.3522%0.222SC..SBendtrans-70.2-33.2173.6-66.2170.6-1300110.8V231 H548 L551V231-Q553 PolarHBondContact O-NE2 3.5Å; H548-Q553 HydrophobicContact CB-CB 4.18Å; H548-Q553 PolarHBondContact CD2-OE1 3.01Å; H548-Q553 PolarHBondContact O-N 3.08Å; L551-Q553 HydrophobicContact CB-CG 4.06Å; L551-Q553 PolarHBondContact O-N 3.36Å
554Y91Very high89.4Confident20 Ų2042.1 Ų42.18%0.07823%0.229CC..SBendtrans-108.8119.3165.8178.8-97.9000109.9Y114 H548 L549 G552 V556 K564 P572 F645Y114-Y554 AromaticContact CE1-CE1 3.76Å; Y114-Y554 HydrophobicContact CE1-CE1 3.76Å; Y114-Y554 PolarHBondContact OH-OH 2.91Å; Y114-Y554 VanDerWaalsContact OH-OH 3.08Å; H548-Y554 PolarHBondContact O-N 2.74Å; L549-Y554 HydrophobicContact CD1-CD1 4.22Å; G552-Y554 VanDerWaalsContact C-N 3.32Å; Y554-V556 HydrophobicContact CE1-CG2 4.15Å; Y554-K564 HydrophobicContact CE2-CD 4.17Å; Y554-P572 HydrophobicContact CE2-CG 4.3Å; Y554-F645 HydrophobicContact CD1-CD1 4.13Å; Y554-F645 AromaticContact CD1-CD2 3.88Å; Y554-F645 HydrophobicContact CD1-CD2 3.88Å; Y554-F645 AromaticContact CD1-CE1 4Å; Y554-F645 HydrophobicContact CD1-CE1 4Å; Y554-F645 AromaticContact CD1-CE2 3.72Å; Y554-F645 HydrophobicContact CD1-CE2 3.72Å; Y554-F645 HydrophobicContact CD1-CG 4.11Å; Y554-F645 AromaticContact CD1-CZ 3.82Å; Y554-F645 HydrophobicContact CD1-CZ 3.82Å; Y554-F645 HydrophobicContact CD2-CB 4.09Å; Y554-F645 AromaticContact CD2-CD1 3.63Å; Y554-F645 HydrophobicContact CD2-CD1 3.63Å; Y554-F645 HydrophobicContact CD2-CD2 4.3Å; Y554-F645 HydrophobicContact CD2-CE1 4.17Å; Y554-F645 AromaticContact CD2-CG 3.73Å; Y554-F645 HydrophobicContact CD2-CG 3.73Å; Y554-F645 HydrophobicContact CE1-CD1 4.16Å; Y554-F645 AromaticContact CE1-CE1 3.71Å; Y554-F645 HydrophobicContact CE1-CE1 3.71Å; Y554-F645 HydrophobicContact CE1-CE2 4.11Å; Y554-F645 AromaticContact CE1-CZ 3.71Å; Y554-F645 HydrophobicContact CE1-CZ 3.71Å; Y554-F645 AromaticContact CE2-CD1 3.66Å; Y554-F645 HydrophobicContact CE2-CD1 3.66Å; Y554-F645 AromaticContact CE2-CE1 3.89Å; Y554-F645 HydrophobicContact CE2-CE1 3.89Å; Y554-F645 HydrophobicContact CE2-CG 4.25Å; Y554-F645 HydrophobicContact CG-CB 4.18Å; Y554-F645 AromaticContact CG-CD1 3.86Å; Y554-F645 HydrophobicContact CG-CD1 3.86Å; Y554-F645 AromaticContact CG-CD2 3.72Å; Y554-F645 HydrophobicContact CG-CD2 3.72Å; Y554-F645 HydrophobicContact CG-CE1 4.21Å; Y554-F645 HydrophobicContact CG-CE2 4.08Å; Y554-F645 AromaticContact CG-CG 3.64Å; Y554-F645 HydrophobicContact CG-CG 3.64Å; Y554-F645 HydrophobicContact CG-CZ 4.33Å; Y554-F645 AromaticContact CZ-CD1 3.92Å; Y554-F645 AromaticContact CZ-CE1 3.63Å
555K90.3Very high88.3Confident109 Ų10943.1 Ų43.147%0.47424%0.238SC..  trans-101.6130.9169-62.2-169.1179.1-164.20109.6E171 M557 K564E171-K555 IonicContact OE1-NZ 3.85Å; K555-M557 PolarHBondContact O-N 3.45Å; K555-K564 WeakPolarHBondContact O-CD 3.33Å; K555-K564 WeakPolarHBondContact O-CE 3.48Å; K555-K564 PolarHBondContact O-NZ 3.3Å
556V90.3Very high87.4Confident2 Ų243.5 Ų43.51%0.01224%0.24CC..SBendtrans-61.7-31.3178.5175.90000111.6L62 V63 Y114 L549 Y554 L563 K564L62-V556 HydrophobicContact CD2-CG2 4.1Å; V63-V556 HydrophobicContact CG2-CG1 4.15Å; Y114-V556 HydrophobicContact CD1-CG2 4.22Å; Y114-V556 HydrophobicContact CD2-CG1 4.48Å; Y114-V556 HydrophobicContact CD2-CG2 4.2Å; Y114-V556 HydrophobicContact CE1-CG2 4Å; Y114-V556 HydrophobicContact CE2-CG1 3.85Å; Y114-V556 HydrophobicContact CE2-CG2 3.99Å; Y114-V556 HydrophobicContact CG-CG2 4.32Å; L549-V556 HydrophobicContact CD1-CG2 4.07Å; Y554-V556 HydrophobicContact CE1-CG2 4.15Å; V556-L563 HydrophobicContact CG1-CD1 3.41Å; V556-L563 VanDerWaalsContact CG1-CD1 3.41Å; V556-K564 WeakPolarHBondContact O-CB 3.42Å; V556-K564 PolarHBondContact O-N 2.93Å
557M88.2Confident85.7Confident34 Ų3446.8 Ų46.817%0.16726%0.255CS..BIsolated β-bridgetrans-94.1144.8174.3-51.2-58-84.800110.6R61 K555 G561 N562 L563 K564R61-M557 HydrophobicContact CG-CG 4.44Å; K555-M557 PolarHBondContact O-N 3.45Å; M557-G561 WeakPolarHBondContact CE-O 3.49Å; M557-N562 CarbonylContact C-O 3.42Å; M557-N562 WeakPolarHBondContact CA-O 3.38Å; M557-L563 HydrophobicContact SD-CB 4.46Å; M557-L563 HydrophobicContact SD-CD1 4.26Å; M557-K564 WeakPolarHBondContact O-CE 3.45Å
558D84Confident83.4Confident50 Ų5048.9 Ų48.927%0.26728%0.278SS..  trans-74.8179.316777.66.2000111.6N560 G561 N562 K564D558-N560 PolarHBondContact O-N 3.01Å; D558-N560 VanDerWaalsContact OD1-C 3.29Å; D558-N560 VanDerWaalsContact OD1-CA 3.29Å; D558-N560 WeakPolarHBondContact OD1-CA 3.46Å; D558-N560 WeakPolarHBondContact OD1-CB 3.41Å; D558-N560 PolarHBondContact OD1-N 2.98Å; D558-G561 PolarHBondContact O-N 3.47Å; D558-G561 VanDerWaalsContact O-N 3.09Å; D558-G561 PolarHBondContact OD1-N 2.81Å; D558-N562 PolarHBondContact N-O 2.95Å; D558-N562 PolarHBondContact OD1-N 3Å; D558-N562 WeakPolarHBondContact OD2-CB 3.33Å; D558-N562 PolarHBondContact OD2-ND2 2.89Å; D558-K564 HydrophobicContact CB-CG 4.33Å
559V79.7Confident80.6Confident145 Ų14555.5 Ų55.588%0.87932%0.321SS*.THydrogen-bonded Turntrans-64.3-21.7179.1-67.30000113.6
560N81.2Confident78.1Confident128 Ų12859 Ų5968%0.68436%0.358SS*.THydrogen-bonded Turntrans-91.4-2.5178-58.7-42.4000112D558D558-N560 PolarHBondContact O-N 3.01Å; D558-N560 VanDerWaalsContact OD1-C 3.29Å; D558-N560 VanDerWaalsContact OD1-CA 3.29Å; D558-N560 WeakPolarHBondContact OD1-CA 3.46Å; D558-N560 WeakPolarHBondContact OD1-CB 3.41Å; D558-N560 PolarHBondContact OD1-N 2.98Å
561G79.9Confident75.8Confident35 Ų3559.7 Ų59.736%0.36137%0.365SS..SBendtrans78.120.7-175.600000114M557 D558M557-G561 WeakPolarHBondContact CE-O 3.49Å; D558-G561 PolarHBondContact O-N 3.47Å; D558-G561 VanDerWaalsContact O-N 3.09Å; D558-G561 PolarHBondContact OD1-N 2.81Å
562N84.7Confident73.6Confident94 Ų9460.1 Ų60.150%0.50337%0.369SS..PPolyproline II helixtrans-89.3147.8170.2-54.8-57.8000110.8M557 D558 K564M557-N562 CarbonylContact C-O 3.42Å; M557-N562 WeakPolarHBondContact CA-O 3.38Å; D558-N562 PolarHBondContact N-O 2.95Å; D558-N562 PolarHBondContact OD1-N 3Å; D558-N562 WeakPolarHBondContact OD2-CB 3.33Å; D558-N562 PolarHBondContact OD2-ND2 2.89Å; N562-K564 PolarHBondContact O-N 3.48Å
563L84.2Confident71.4Confident55 Ų5563.7 Ų63.729%0.28839%0.389SS..BIsolated β-bridgetrans-68.1127.1176.3-179.965.4000110.8V63 Q107 V556 M557V63-L563 HydrophobicContact CB-CD1 4.36Å; V63-L563 HydrophobicContact CG1-CD1 4.06Å; V63-L563 HydrophobicContact CG1-CD2 3.69Å; V63-L563 HydrophobicContact CG2-CD1 3.9Å; Q107-L563 HydrophobicContact CG-CD2 3.89Å; V556-L563 HydrophobicContact CG1-CD1 3.41Å; V556-L563 VanDerWaalsContact CG1-CD1 3.41Å; M557-L563 HydrophobicContact SD-CB 4.46Å; M557-L563 HydrophobicContact SD-CD1 4.26Å
564K82.5Confident69.4Low70 Ų7067.1 Ų67.130%0.30440%0.399SS..PPolyproline II helixtrans-76.2128.8168-63.2179.3-171.6162.40109.3Y554 K555 V556 M557 D558 N562 L566Y554-K564 HydrophobicContact CE2-CD 4.17Å; K555-K564 WeakPolarHBondContact O-CD 3.33Å; K555-K564 WeakPolarHBondContact O-CE 3.48Å; K555-K564 PolarHBondContact O-NZ 3.3Å; V556-K564 WeakPolarHBondContact O-CB 3.42Å; V556-K564 PolarHBondContact O-N 2.93Å; M557-K564 WeakPolarHBondContact O-CE 3.45Å; D558-K564 HydrophobicContact CB-CG 4.33Å; N562-K564 PolarHBondContact O-N 3.48Å; K564-L566 PolarHBondContact O-N 3.29Å
565S69.8Low67.1Low35 Ų3573.7 Ų73.725%0.24542%0.423CS..PPolyproline II helixtrans-62.5126.3173.41680000110H567 G571 P572S565-H567 PolarHBondContact OG-N 2.9Å; S565-H567 PolarHBondContact OG-O 3.46Å; S565-G571 WeakPolarHBondContact O-CA 3.26Å; S565-P572 WeakPolarHBondContact O-CD 3.21Å
566L74.1Confident64.8Low10 Ų1076.6 Ų76.65%0.05243%0.431CS..SBendtrans-83.2-28168-17165.2000111.2D110 V113 Y114 K564 F645D110-L566 HydrophobicContact CB-CB 4.35Å; D110-L566 HydrophobicContact CB-CD2 4.34Å; D110-L566 WeakPolarHBondContact OD1-CB 3.25Å; V113-L566 HydrophobicContact CB-CD2 3.95Å; V113-L566 HydrophobicContact CG1-CD2 3.78Å; V113-L566 HydrophobicContact CG2-CD2 4.49Å; Y114-L566 HydrophobicContact CE1-CD1 4.1Å; Y114-L566 HydrophobicContact CE1-CD2 4.27Å; K564-L566 PolarHBondContact O-N 3.29Å; L566-F645 HydrophobicContact CD1-CE1 3.62Å; L566-F645 HydrophobicContact CD1-CZ 3.88Å
567H59.4Low62.4Low69 Ų6984.6 Ų84.632%0.31947%0.473SS..SBendtrans-125.3111.8-179.5-70.2-57.2000111D110 S565D110-H567 IonicContact OD1-CD2 3.11Å; D110-H567 PolarHBondContact OD1-CD2 3.43Å; D110-H567 IonicContact OD1-NE2 3.97Å; S565-H567 PolarHBondContact OG-N 2.9Å; S565-H567 PolarHBondContact OG-O 3.46Å
568G46.9Very low60.4Low49 Ų4986.5 Ų86.551%0.50548%0.48SS..SBendtrans127.6-174.2170.800000115.4G570 G571G568-G570 PolarHBondContact O-N 2.91Å; G568-G571 PolarHBondContact O-N 2.82Å
569P35.2Very low58.6Low140 Ų14089.6 Ų89.691%0.90950%0.497SS*.THydrogen-bonded Turntrans-61125.2177-17.530.1000110.7
570G42Very low57.2Low78 Ų7886.4 Ų86.480%0.80449%0.486SS*.THydrogen-bonded Turntrans93.1-5.8-177.200000115.3G568G568-G570 PolarHBondContact O-N 2.91Å
571G48Very low55.9Low15 Ų1584.8 Ų84.816%0.15548%0.477CS..SBendtrans-68.8171164.500000112.3S565 G568 P573S565-G571 WeakPolarHBondContact O-CA 3.26Å; G568-G571 PolarHBondContact O-N 2.82Å; G571-P573 VanDerWaalsContact O-N 3.1Å
572P50.8Low54.9Low30 Ų3083.9 Ų83.920%0.19547%0.465CS..SBendtrans-48.1126.4177.8-19.126000108.5Y554 S565 R574 R644 F645Y554-P572 HydrophobicContact CE2-CG 4.3Å; S565-P572 WeakPolarHBondContact O-CD 3.21Å; P572-R574 PolarHBondContact O-N 3.34Å; P572-R644 WeakPolarHBondContact CB-O 3.22Å; P572-F645 HydrophobicContact CG-CD1 3.87Å; P572-F645 HydrophobicContact CG-CE1 4.14Å
573P47Very low53.9Low94 Ų9483.3 Ų83.361%0.6146%0.46SS*.  trans-54.2114.9-174.819.2-30.1000107.2G571 R575G571-P573 VanDerWaalsContact O-N 3.1Å; P573-R575 PolarHBondContact O-N 2.85Å
574R47.5Very low53.2Low148 Ų14886.5 Ų86.556%0.55847%0.468SS*.  trans-54101.9157.9-86.5-178.3170.6-179.1-3.7103P572 R576 E583P572-R574 PolarHBondContact O-N 3.34Å; R574-R576 CarbonylContact O-C 3.55Å; R574-R576 PolarHBondContact O-N 2.98Å; R574-E583 IonicContact CZ-OE1 3.41Å; R574-E583 IonicContact NH1-OE1 3.47Å; R574-E583 PolarHBondContact NH1-OE1 2.8Å
575R43.6Very low52.7Low157 Ų15786.8 Ų86.859%0.59247%0.469SS*.SBendtrans-60.2118.8-170.6-144.2172.9175.1154.2-1.9105.6P573P573-R575 PolarHBondContact O-N 2.85Å
576R41.8Very low52.8Low170 Ų17086.5 Ų86.564%0.64247%0.466SS*.SBendtrans76.7106.4-152.8-58.3-179.2176.4171.71.4112.4R574 K578R574-R576 CarbonylContact O-C 3.55Å; R574-R576 PolarHBondContact O-N 2.98Å; R576-K578 PolarHBondContact O-N 2.79Å
577L39.4Very low52.9Low171 Ų17192.7 Ų92.790%0.89550%0.495SS*.  trans-44.594.5147.4-96.988.1000105.8N579L577-N579 PolarHBondContact O-N 2.77Å; L577-N579 VanDerWaalsContact O-N 3.09Å
578K46.6Very low54Low73 Ų7394.8 Ų94.832%0.31750%0.503SS..  trans-67.1113.8176.3-80.2-172.8171.6-169.40103.7R576 A580 D638R576-K578 PolarHBondContact O-N 2.79Å; K578-A580 PolarHBondContact O-N 2.63Å; K578-D638 PolarHBondContact NZ-O 2.81Å
579N47.2Very low55.9Low115 Ų11593.6 Ų93.662%0.61549%0.485SS*.  trans-44.6137.5163.9-70.7-8.7000106.7L577 D581 S582L577-N579 PolarHBondContact O-N 2.77Å; L577-N579 VanDerWaalsContact O-N 3.09Å; N579-D581 HydrophobicContact CB-CB 4.18Å; N579-D581 CarbonylContact O-C 3.51Å; N579-D581 PolarHBondContact O-N 3.33Å; N579-S582 PolarHBondContact O-N 2.95Å
580A50.3Low58.3Low78 Ų7889.2 Ų89.265%0.64546%0.456SS*.Hα-helixtrans-47.9-27176.500000111.9K578 S582 E583K578-A580 PolarHBondContact O-N 2.63Å; A580-S582 PolarHBondContact O-N 2.81Å; A580-E583 PolarHBondContact O-N 2.8Å
581D52.8Low60.5Low94 Ų9491.1 Ų91.150%0.50345%0.447SS..Hα-helixtrans-51.4-46.2169.6-56.6-29.1000113.9N579 E583 W584 F585N579-D581 HydrophobicContact CB-CB 4.18Å; N579-D581 CarbonylContact O-C 3.51Å; N579-D581 PolarHBondContact O-N 3.33Å; D581-E583 VanDerWaalsContact C-N 3.32Å; D581-E583 PolarHBondContact O-N 3.31Å; D581-W584 PolarHBondContact O-NE1 3.35Å; D581-W584 VanDerWaalsContact O-NE1 3.08Å; D581-F585 WeakPolarHBondContact O-CD2 3.44Å; D581-F585 PolarHBondContact O-N 2.77Å
582S60Low62.6Low16 Ų1692.4 Ų92.411%0.11245%0.452CS..Hα-helixtrans-67.8-29.7-177.6178.50000112.7N579 A580 T586 D638N579-S582 PolarHBondContact O-N 2.95Å; A580-S582 PolarHBondContact O-N 2.81Å; S582-T586 WeakPolarHBondContact O-CB 3.39Å; S582-T586 WeakPolarHBondContact O-CG2 3.26Å; S582-T586 PolarHBondContact O-N 3.03Å; S582-T586 PolarHBondContact O-OG1 2.96Å; S582-D638 PolarHBondContact OG-OD2 2.89Å
583E63.2Low64.5Low82 Ų8293.9 Ų93.938%0.38346%0.456SS..Hα-helixtrans-68.3-44.3-178.6-70.2-161.1149.800112.3R574 A580 D581 T586 Q587R574-E583 IonicContact CZ-OE1 3.41Å; R574-E583 IonicContact NH1-OE1 3.47Å; R574-E583 PolarHBondContact NH1-OE1 2.8Å; A580-E583 PolarHBondContact O-N 2.8Å; D581-E583 VanDerWaalsContact C-N 3.32Å; D581-E583 PolarHBondContact O-N 3.31Å; E583-T586 PolarHBondContact O-N 3.46Å; E583-T586 PolarHBondContact O-OG1 3.44Å; E583-T586 VanDerWaalsContact O-OG1 3.05Å; E583-Q587 WeakPolarHBondContact O-CG 3.36Å; E583-Q587 PolarHBondContact O-N 2.87Å
584W68.5Low66.6Low123 Ų12392.8 Ų92.847%0.46645%0.451SS..Hα-helixtrans-70.1-37.7177.678.8-95.3000111.5D581 T586 Q587 F588D581-W584 PolarHBondContact O-NE1 3.35Å; D581-W584 VanDerWaalsContact O-NE1 3.08Å; W584-T586 PolarHBondContact O-N 3.26Å; W584-Q587 PolarHBondContact O-N 2.56Å; W584-F588 HydrophobicContact CE3-CB 4.17Å; W584-F588 HydrophobicContact CZ3-CD1 4.13Å; W584-F588 WeakPolarHBondContact O-CB 3.03Å; W584-F588 PolarHBondContact O-N 3.21Å
585F72.6Confident68.8Low76 Ų7691.3 Ų91.333%0.33345%0.449SS..Hα-helixtrans-59.4-45.5175.5-81.8-64.2000112.1D581 Q587 F588 L589D581-F585 WeakPolarHBondContact O-CD2 3.44Å; D581-F585 PolarHBondContact O-N 2.77Å; F585-Q587 VanDerWaalsContact C-N 3.32Å; F585-Q587 PolarHBondContact O-N 3.14Å; F585-F588 PolarHBondContact O-N 2.83Å; F585-L589 HydrophobicContact CB-CD1 4.41Å; F585-L589 HydrophobicContact CD1-CD1 4.37Å; F585-L589 VanDerWaalsContact O-CB 3.3Å; F585-L589 WeakPolarHBondContact O-CB 3.37Å; F585-L589 WeakPolarHBondContact O-CG 3.33Å; F585-L589 PolarHBondContact O-N 3.45Å
586T72.5Confident71.2Confident28 Ų2884.2 Ų84.217%0.17242%0.422CS..Hα-helixtrans-69.7-27.1-178.448.70000113.6S582 E583 W584 P590 D638 F639S582-T586 WeakPolarHBondContact O-CB 3.39Å; S582-T586 WeakPolarHBondContact O-CG2 3.26Å; S582-T586 PolarHBondContact O-N 3.03Å; S582-T586 PolarHBondContact O-OG1 2.96Å; E583-T586 PolarHBondContact O-N 3.46Å; E583-T586 PolarHBondContact O-OG1 3.44Å; E583-T586 VanDerWaalsContact O-OG1 3.05Å; W584-T586 PolarHBondContact O-N 3.26Å; T586-P590 VanDerWaalsContact O-CD 3.22Å; T586-P590 WeakPolarHBondContact O-CD 3.03Å; T586-P590 WeakPolarHBondContact O-CG 3.23Å; T586-D638 HydrophobicContact CG2-CB 3.65Å; T586-F639 HydrophobicContact CG2-CD1 4.33Å; T586-F639 HydrophobicContact CG2-CE1 4.13Å; T586-F639 HydrophobicContact CG2-CE2 4.32Å; T586-F639 HydrophobicContact CG2-CZ 4.12Å; T586-F639 VanDerWaalsContact O-CE1 3.27Å; T586-F639 WeakPolarHBondContact O-CE1 3.12Å
587Q75.7Confident73.6Confident141 Ų14179.6 Ų79.666%0.65941%0.41SS*.Hα-helixtrans-84-38.2174-67.6179.18.300112.6E583 W584 F585E583-Q587 WeakPolarHBondContact O-CG 3.36Å; E583-Q587 PolarHBondContact O-N 2.87Å; W584-Q587 PolarHBondContact O-N 2.56Å; F585-Q587 VanDerWaalsContact C-N 3.32Å; F585-Q587 PolarHBondContact O-N 3.14Å
588F83.5Confident76.1Confident113 Ų11373.8 Ų73.850%0.49639%0.386SS..Hα-helixtrans-82.6-41.5-171.8-172.7-107.4000113.5W584 F585 L591 V592W584-F588 HydrophobicContact CE3-CB 4.17Å; W584-F588 HydrophobicContact CZ3-CD1 4.13Å; W584-F588 WeakPolarHBondContact O-CB 3.03Å; W584-F588 PolarHBondContact O-N 3.21Å; F585-F588 PolarHBondContact O-N 2.83Å; F588-L591 WeakPolarHBondContact O-CB 3.25Å; F588-L591 PolarHBondContact O-N 3.36Å; F588-L591 VanDerWaalsContact O-N 3.07Å; F588-V592 HydrophobicContact CD1-CG2 3.6Å; F588-V592 HydrophobicContact CE1-CG2 3.23Å; F588-V592 HydrophobicContact CE2-CG2 4.2Å; F588-V592 HydrophobicContact CG-CG2 4.24Å; F588-V592 HydrophobicContact CZ-CG2 3.56Å; F588-V592 WeakPolarHBondContact O-CG2 3.09Å; F588-V592 PolarHBondContact O-N 3.27Å
589L85.4Confident78.3Confident24 Ų2472.8 Ų72.813%0.12638%0.384CS..Hα-helixtrans-58.7-41.8-177.3-76.1170.5000113.7F585 L591 V592 F593 A631 I632 F639F585-L589 HydrophobicContact CB-CD1 4.41Å; F585-L589 HydrophobicContact CD1-CD1 4.37Å; F585-L589 VanDerWaalsContact O-CB 3.3Å; F585-L589 WeakPolarHBondContact O-CB 3.37Å; F585-L589 WeakPolarHBondContact O-CG 3.33Å; F585-L589 PolarHBondContact O-N 3.45Å; L589-L591 VanDerWaalsContact C-N 3.31Å; L589-L591 PolarHBondContact O-N 2.86Å; L589-V592 PolarHBondContact O-N 3.05Å; L589-F593 WeakPolarHBondContact O-CB 3.15Å; L589-F593 PolarHBondContact O-N 3.06Å; L589-A631 HydrophobicContact CD1-CB 4.46Å; L589-A631 HydrophobicContact CD2-CB 4.25Å; L589-I632 HydrophobicContact CB-CD1 4.39Å; L589-I632 HydrophobicContact CB-CG1 3.88Å; L589-F639 HydrophobicContact CB-CZ 4.11Å; L589-F639 HydrophobicContact CD1-CZ 4.07Å
590P86.5Confident80.3Confident47 Ų4768.2 Ų68.231%0.30536%0.361SS..Hα-helixtrans-60.9-38.8173.9-25.636.4000112.8T586 F593 S594 F639T586-P590 VanDerWaalsContact O-CD 3.22Å; T586-P590 WeakPolarHBondContact O-CD 3.03Å; T586-P590 WeakPolarHBondContact O-CG 3.23Å; P590-F593 PolarHBondContact O-N 3.28Å; P590-S594 WeakPolarHBondContact O-CB 3.31Å; P590-S594 PolarHBondContact O-N 2.86Å; P590-S594 PolarHBondContact O-OG 3.43Å; P590-S594 VanDerWaalsContact O-OG 3.08Å; P590-F639 HydrophobicContact CG-CD1 4.3Å; P590-F639 HydrophobicContact CG-CE1 3.65Å
591L88.9Confident82.1Confident118 Ų11868 Ų6862%0.61835%0.351SS*.Hα-helixtrans-65.9-43.5177-65.7172.1000111.5F588 L589 S594 F595F588-L591 WeakPolarHBondContact O-CB 3.25Å; F588-L591 PolarHBondContact O-N 3.36Å; F588-L591 VanDerWaalsContact O-N 3.07Å; L589-L591 VanDerWaalsContact C-N 3.31Å; L589-L591 PolarHBondContact O-N 2.86Å; L591-S594 PolarHBondContact O-N 3.07Å; L591-F595 WeakPolarHBondContact O-CB 3.31Å; L591-F595 PolarHBondContact O-N 3.47Å
592V90.2Very high83.8Confident43 Ų4367.1 Ų67.126%0.26135%0.346SS..Hα-helixtrans-61.8-44.6174.6174.70000110.9F588 L589 F595 T596F588-V592 HydrophobicContact CD1-CG2 3.6Å; F588-V592 HydrophobicContact CE1-CG2 3.23Å; F588-V592 HydrophobicContact CE2-CG2 4.2Å; F588-V592 HydrophobicContact CG-CG2 4.24Å; F588-V592 HydrophobicContact CZ-CG2 3.56Å; F588-V592 WeakPolarHBondContact O-CG2 3.09Å; F588-V592 PolarHBondContact O-N 3.27Å; L589-V592 PolarHBondContact O-N 3.05Å; V592-F595 PolarHBondContact O-N 2.96Å; V592-T596 HydrophobicContact CG1-CG2 4.15Å; V592-T596 WeakPolarHBondContact O-CB 3.05Å; V592-T596 VanDerWaalsContact O-CG2 3.24Å; V592-T596 WeakPolarHBondContact O-CG2 3.48Å; V592-T596 PolarHBondContact O-N 3.38Å; V592-T596 PolarHBondContact O-OG1 3.47Å
593F91.5Very high85.1Confident60 Ų6067.4 Ų67.426%0.26335%0.348SS..Hα-helixtrans-61.3-47.6176.3174.2-108.1000111.4L589 P590 F595 T596 L597 S625 A629 I632L589-F593 WeakPolarHBondContact O-CB 3.15Å; L589-F593 PolarHBondContact O-N 3.06Å; P590-F593 PolarHBondContact O-N 3.28Å; F593-F595 VanDerWaalsContact C-N 3.35Å; F593-F595 PolarHBondContact O-N 3.33Å; F593-T596 PolarHBondContact O-N 3.11Å; F593-T596 PolarHBondContact O-OG1 2.93Å; F593-T596 VanDerWaalsContact O-OG1 3.06Å; F593-L597 HydrophobicContact CE1-CD2 4.17Å; F593-L597 HydrophobicContact CZ-CD2 4.05Å; F593-L597 WeakPolarHBondContact O-CB 3.4Å; F593-L597 PolarHBondContact O-N 3.08Å; F593-S625 WeakPolarHBondContact CD2-O 3.25Å; F593-S625 WeakPolarHBondContact CE2-OG 3.16Å; F593-A629 HydrophobicContact CD2-CB 4.05Å; F593-A629 HydrophobicContact CE2-CB 3.83Å; F593-I632 HydrophobicContact CB-CD1 3.84Å; F593-I632 HydrophobicContact CG-CD1 4.25Å
594S90.9Very high86.1Confident72 Ų7266.6 Ų66.650%0.50335%0.351SS..Hα-helixtrans-59.9-43.3176.5-67.30000112.3P590 L591 A598P590-S594 WeakPolarHBondContact O-CB 3.31Å; P590-S594 PolarHBondContact O-N 2.86Å; P590-S594 PolarHBondContact O-OG 3.43Å; P590-S594 VanDerWaalsContact O-OG 3.08Å; L591-S594 PolarHBondContact O-N 3.07Å; S594-A598 VanDerWaalsContact O-CB 3.25Å; S594-A598 WeakPolarHBondContact O-CB 3.28Å; S594-A598 PolarHBondContact O-N 2.86Å
595F93.6Very high87Confident117 Ų11766.4 Ų66.451%0.51336%0.358SS..Hα-helixtrans-65-50.5177.9177.4-103.1000112.1L591 V592 F593 L597 A598 M599 W621L591-F595 WeakPolarHBondContact O-CB 3.31Å; L591-F595 PolarHBondContact O-N 3.47Å; V592-F595 PolarHBondContact O-N 2.96Å; F593-F595 VanDerWaalsContact C-N 3.35Å; F593-F595 PolarHBondContact O-N 3.33Å; F595-L597 VanDerWaalsContact C-N 3.34Å; F595-L597 PolarHBondContact O-N 2.85Å; F595-A598 PolarHBondContact O-N 2.89Å; F595-M599 HydrophobicContact CD1-CG 4.42Å; F595-M599 HydrophobicContact CD2-CG 4.44Å; F595-M599 HydrophobicContact CE1-CG 4.03Å; F595-M599 HydrophobicContact CE2-CG 4.04Å; F595-M599 HydrophobicContact CE2-SD 4.32Å; F595-M599 HydrophobicContact CZ-CG 3.82Å; F595-M599 HydrophobicContact CZ-SD 4.29Å; F595-M599 WeakPolarHBondContact O-CG 3.43Å; F595-M599 PolarHBondContact O-N 2.96Å; F595-W621 HydrophobicContact CD1-CZ3 4.22Å; F595-W621 AromaticContact CE1-CH2 3.72Å; F595-W621 HydrophobicContact CE1-CH2 3.72Å; F595-W621 AromaticContact CE1-CZ3 3.73Å; F595-W621 HydrophobicContact CE1-CZ3 3.73Å; F595-W621 HydrophobicContact CZ-CH2 4.33Å
596T93.5Very high87.5Confident7 Ų769 Ų694%0.04337%0.369CS..Hα-helixtrans-65.1-37.3-179.554.10000112.2V592 F593 S600 W621 A624 S625V592-T596 HydrophobicContact CG1-CG2 4.15Å; V592-T596 WeakPolarHBondContact O-CB 3.05Å; V592-T596 VanDerWaalsContact O-CG2 3.24Å; V592-T596 WeakPolarHBondContact O-CG2 3.48Å; V592-T596 PolarHBondContact O-N 3.38Å; V592-T596 PolarHBondContact O-OG1 3.47Å; F593-T596 PolarHBondContact O-N 3.11Å; F593-T596 PolarHBondContact O-OG1 2.93Å; F593-T596 VanDerWaalsContact O-OG1 3.06Å; T596-S600 WeakPolarHBondContact O-CB 3.18Å; T596-S600 PolarHBondContact O-N 3.37Å; T596-W621 HydrophobicContact CG2-CE3 4.08Å; T596-W621 HydrophobicContact CG2-CZ3 4.13Å; T596-A624 HydrophobicContact CG2-CB 3.7Å; T596-S625 WeakPolarHBondContact OG1-CA 3.37Å
597L92.4Very high87.5Confident74 Ų7473.2 Ų73.239%0.38740%0.397SS..Hα-helixtrans-65.3-46.5173.2-176.866.3000111.3F593 F595 M599 S600 V601F593-L597 HydrophobicContact CE1-CD2 4.17Å; F593-L597 HydrophobicContact CZ-CD2 4.05Å; F593-L597 WeakPolarHBondContact O-CB 3.4Å; F593-L597 PolarHBondContact O-N 3.08Å; F595-L597 VanDerWaalsContact C-N 3.34Å; F595-L597 PolarHBondContact O-N 2.85Å; L597-M599 VanDerWaalsContact C-N 3.35Å; L597-M599 PolarHBondContact O-N 3.39Å; L597-S600 WeakPolarHBondContact O-CB 3.35Å; L597-S600 PolarHBondContact O-N 2.87Å; L597-V601 WeakPolarHBondContact O-CG2 3.4Å; L597-V601 PolarHBondContact O-N 3.33Å
598A92.5Very high87.6Confident48 Ų4869 Ų6940%0.39738%0.38SS..Hα-helixtrans-59.7-45.6176.800000111.2S594 F595 S600 V601 L602S594-A598 VanDerWaalsContact O-CB 3.25Å; S594-A598 WeakPolarHBondContact O-CB 3.28Å; S594-A598 PolarHBondContact O-N 2.86Å; F595-A598 PolarHBondContact O-N 2.89Å; A598-S600 VanDerWaalsContact C-N 3.35Å; A598-S600 PolarHBondContact O-N 3.06Å; A598-V601 PolarHBondContact O-N 3.45Å; A598-L602 WeakPolarHBondContact O-CB 3.43Å; A598-L602 VanDerWaalsContact O-CG 3.29Å; A598-L602 WeakPolarHBondContact O-CG 3.37Å; A598-L602 PolarHBondContact O-N 3.43Å
599M93Very high87.2Confident52 Ų5268 Ų6826%0.25639%0.393SS..Hα-helixtrans-61.6-41.1175.7-70.6-56.7-6400112.2F595 L597 V601 L602 C603 W621F595-M599 HydrophobicContact CD1-CG 4.42Å; F595-M599 HydrophobicContact CD2-CG 4.44Å; F595-M599 HydrophobicContact CE1-CG 4.03Å; F595-M599 HydrophobicContact CE2-CG 4.04Å; F595-M599 HydrophobicContact CE2-SD 4.32Å; F595-M599 HydrophobicContact CZ-CG 3.82Å; F595-M599 HydrophobicContact CZ-SD 4.29Å; F595-M599 WeakPolarHBondContact O-CG 3.43Å; F595-M599 PolarHBondContact O-N 2.96Å; L597-M599 VanDerWaalsContact C-N 3.35Å; L597-M599 PolarHBondContact O-N 3.39Å; M599-V601 PolarHBondContact O-N 2.83Å; M599-L602 PolarHBondContact O-N 2.86Å; M599-L602 HydrophobicContact SD-CD1 4.25Å; M599-C603 WeakPolarHBondContact O-CB 3.47Å; M599-C603 PolarHBondContact O-N 3.44Å; M599-C603 PolarHBondContact O-SG 3.22Å; M599-W621 HydrophobicContact CB-CB 4.21Å; M599-W621 HydrophobicContact CB-CD2 3.44Å; M599-W621 VanDerWaalsContact CB-CD2 3.44Å; M599-W621 HydrophobicContact CB-CE3 3.76Å; M599-W621 HydrophobicContact CB-CG 3.65Å; M599-W621 HydrophobicContact CB-CZ2 4.34Å; M599-W621 HydrophobicContact CB-CZ3 4.34Å; M599-W621 HydrophobicContact CE-CZ2 3.97Å; M599-W621 HydrophobicContact CG-CD2 4.14Å; M599-W621 HydrophobicContact CG-CE3 4.21Å; M599-W621 HydrophobicContact CG-CH2 4.28Å; M599-W621 HydrophobicContact CG-CZ2 4.2Å; M599-W621 HydrophobicContact CG-CZ3 4.28Å
600S88.7Confident87Confident19 Ų1972.1 Ų72.113%0.13341%0.412CS..Hα-helixtrans-60.6-44.4175.5-175.80000111.9T596 L597 A598 C603 C604T596-S600 WeakPolarHBondContact O-CB 3.18Å; T596-S600 PolarHBondContact O-N 3.37Å; L597-S600 WeakPolarHBondContact O-CB 3.35Å; L597-S600 PolarHBondContact O-N 2.87Å; A598-S600 VanDerWaalsContact C-N 3.35Å; A598-S600 PolarHBondContact O-N 3.06Å; S600-C603 PolarHBondContact O-N 3.44Å; S600-C604 PolarHBondContact O-N 3.46Å; S600-C604 PolarHBondContact O-SG 3.34Å
601V88.5Confident86.8Confident73 Ų7379.7 Ų79.744%0.44243%0.434SS..Hα-helixtrans-65.8-43.4176.6173.70000111.4L597 A598 M599 C603 C604 I605L597-V601 WeakPolarHBondContact O-CG2 3.4Å; L597-V601 PolarHBondContact O-N 3.33Å; A598-V601 PolarHBondContact O-N 3.45Å; M599-V601 PolarHBondContact O-N 2.83Å; V601-C603 VanDerWaalsContact C-N 3.32Å; V601-C603 PolarHBondContact O-N 2.93Å; V601-C604 WeakPolarHBondContact O-CB 3.42Å; V601-C604 PolarHBondContact O-N 3.44Å; V601-I605 HydrophobicContact CG1-CD1 3.81Å; V601-I605 HydrophobicContact CG1-CG1 4.49Å; V601-I605 WeakPolarHBondContact O-CG1 3.41Å; V601-I605 PolarHBondContact O-N 2.92Å; V601-I605 VanDerWaalsContact O-N 3.08Å
602L88.5Confident86.6Confident77 Ų7777.2 Ų77.240%0.40342%0.424SS..Hα-helixtrans-60.7-41.5176.4-71.9176.8000111.5A598 M599 C604 I605 F606A598-L602 WeakPolarHBondContact O-CB 3.43Å; A598-L602 VanDerWaalsContact O-CG 3.29Å; A598-L602 WeakPolarHBondContact O-CG 3.37Å; A598-L602 PolarHBondContact O-N 3.43Å; M599-L602 PolarHBondContact O-N 2.86Å; M599-L602 HydrophobicContact SD-CD1 4.25Å; L602-C604 PolarHBondContact O-N 2.79Å; L602-I605 PolarHBondContact O-N 3.48Å; L602-I605 VanDerWaalsContact O-N 3.13Å; L602-F606 HydrophobicContact CB-CD2 4.39Å; L602-F606 HydrophobicContact CD2-CD2 4.46Å; L602-F606 HydrophobicContact CD2-CE2 4.09Å; L602-F606 WeakPolarHBondContact O-CD2 3.32Å; L602-F606 PolarHBondContact O-N 3.37Å
603C87.5Confident86.3Confident21 Ų2179.3 Ų79.314%0.14243%0.431CS..Hα-helixtrans-63.9-26.2174.9-67.70000113.1M599 S600 V601 K614 V618 W621M599-C603 WeakPolarHBondContact O-CB 3.47Å; M599-C603 PolarHBondContact O-N 3.44Å; M599-C603 PolarHBondContact O-SG 3.22Å; S600-C603 PolarHBondContact O-N 3.44Å; V601-C603 VanDerWaalsContact C-N 3.32Å; V601-C603 PolarHBondContact O-N 2.93Å; C603-K614 WeakPolarHBondContact O-CE 3.11Å; C603-V618 HydrophobicContact CB-CG2 3.77Å; C603-W621 VanDerWaalsContact SG-CD1 3.57Å
604C84.4Confident86Confident66 Ų6679.4 Ų79.445%0.44643%0.432SS..Hα-helixtrans-75.5-36.2172.3-71.40000112.6S600 V601 L602 K614S600-C604 PolarHBondContact O-N 3.46Å; S600-C604 PolarHBondContact O-SG 3.34Å; V601-C604 WeakPolarHBondContact O-CB 3.42Å; V601-C604 PolarHBondContact O-N 3.44Å; L602-C604 PolarHBondContact O-N 2.79Å; C604-K614 VanDerWaalsContact O-CE 3.23Å; C604-K614 WeakPolarHBondContact O-CE 3.49Å; C604-K614 PolarHBondContact O-NZ 2.94Å
605I86.2Confident85.7Confident119 Ų11977.8 Ų77.861%0.6142%0.423SS*.Hα-helixtrans-80-45-176.6-63.9168.6000111.4V601 L602V601-I605 HydrophobicContact CG1-CD1 3.81Å; V601-I605 HydrophobicContact CG1-CG1 4.49Å; V601-I605 WeakPolarHBondContact O-CG1 3.41Å; V601-I605 PolarHBondContact O-N 2.92Å; V601-I605 VanDerWaalsContact O-N 3.08Å; L602-I605 PolarHBondContact O-N 3.48Å; L602-I605 VanDerWaalsContact O-N 3.13Å
606F82.6Confident85.5Confident131 Ų13176.6 Ų76.658%0.57543%0.425SS*.SBendtrans-70.6132.4-175.2-85.4-79.3000111.9L602 K614L602-F606 HydrophobicContact CB-CD2 4.39Å; L602-F606 HydrophobicContact CD2-CD2 4.46Å; L602-F606 HydrophobicContact CD2-CE2 4.09Å; L602-F606 WeakPolarHBondContact O-CD2 3.32Å; L602-F606 PolarHBondContact O-N 3.37Å; F606-K614 PolarHBondContact O-NZ 2.82Å
607P73.9Confident85.2Confident116 Ų11682.5 Ų82.575%0.75345%0.447SS*.  trans-73.1134.6173.228.1-30.9000110.3
608T76.6Confident85.1Confident51 Ų5181 Ų8131%0.31344%0.441SS..  trans-113.5152.6170600000109.1H610 K614T608-H610 VanDerWaalsContact C-N 3.26Å; T608-H610 PolarHBondContact O-N 2.9Å; T608-H610 PolarHBondContact OG1-O 2.99Å; T608-K614 HydrophobicContact CG2-CB 4.33Å; T608-K614 HydrophobicContact CG2-CG 4.48Å; T608-K614 WeakPolarHBondContact OG1-CB 3.17Å
609A75.9Confident85Confident93 Ų9384.9 Ų84.977%0.76945%0.454SS*.SBendtrans-63.6-34.9-179.700000112.1
610H81.1Confident85Confident110 Ų11088.4 Ų88.451%0.50947%0.469SS..SBendtrans-118.3134.2178.5-60.4-61.1000111.1T608 T612 E613 K614T608-H610 VanDerWaalsContact C-N 3.26Å; T608-H610 PolarHBondContact O-N 2.9Å; T608-H610 PolarHBondContact OG1-O 2.99Å; H610-T612 PolarHBondContact O-N 3.46Å; H610-E613 HydrophobicContact CB-CG 4.18Å; H610-E613 IonicContact CD2-OE1 3.82Å; H610-E613 PolarHBondContact O-N 3.01Å; H610-K614 PolarHBondContact O-N 2.82Å
611W82.3Confident85.3Confident206 Ų20690 Ų9078%0.7847%0.472SS*.Hα-helixtrans-64-28.6178.469.7-91.8000112.3K614 A615W611-K614 WeakPolarHBondContact O-CB 3.38Å; W611-K614 PolarHBondContact O-N 2.88Å; W611-A615 WeakPolarHBondContact O-CB 3.47Å; W611-A615 PolarHBondContact O-N 2.74Å
612T85.1Confident85.5Confident67 Ų6787.4 Ų87.441%0.41146%0.46SS..Hα-helixtrans-65.9-40.8177.648.60000112.2H610 A615 T616H610-T612 PolarHBondContact O-N 3.46Å; T612-A615 PolarHBondContact O-N 2.96Å; T612-T616 PolarHBondContact O-N 3.36Å; T612-T616 PolarHBondContact O-OG1 3.14Å
613E84.1Confident85.8Confident86 Ų8685.2 Ų85.240%0.40246%0.456SS..Hα-helixtrans-62.7-47.4174.9-68.3174.6172.700110.3H610 A615 T616 Y617H610-E613 HydrophobicContact CB-CG 4.18Å; H610-E613 IonicContact CD2-OE1 3.82Å; H610-E613 PolarHBondContact O-N 3.01Å; E613-A615 VanDerWaalsContact C-N 3.31Å; E613-A615 PolarHBondContact O-N 2.86Å; E613-T616 PolarHBondContact O-N 3.38Å; E613-T616 VanDerWaalsContact O-N 3.14Å; E613-Y617 HydrophobicContact CB-CE2 4.43Å; E613-Y617 WeakPolarHBondContact O-CD2 3.24Å; E613-Y617 PolarHBondContact O-N 3.12Å
614K84.1Confident86.1Confident63 Ų6385.5 Ų85.527%0.27446%0.46SS..Hα-helixtrans-54.2-49.8175.7-156.2169.2178.7168.50111.4C603 C604 F606 T608 H610 W611 T616 Y617 V618C603-K614 WeakPolarHBondContact O-CE 3.11Å; C604-K614 VanDerWaalsContact O-CE 3.23Å; C604-K614 WeakPolarHBondContact O-CE 3.49Å; C604-K614 PolarHBondContact O-NZ 2.94Å; F606-K614 PolarHBondContact O-NZ 2.82Å; T608-K614 HydrophobicContact CG2-CB 4.33Å; T608-K614 HydrophobicContact CG2-CG 4.48Å; T608-K614 WeakPolarHBondContact OG1-CB 3.17Å; H610-K614 PolarHBondContact O-N 2.82Å; W611-K614 WeakPolarHBondContact O-CB 3.38Å; W611-K614 PolarHBondContact O-N 2.88Å; K614-T616 VanDerWaalsContact C-N 3.29Å; K614-T616 PolarHBondContact O-N 3.3Å; K614-Y617 PolarHBondContact O-N 3.26Å; K614-V618 WeakPolarHBondContact O-CB 3.4Å; K614-V618 VanDerWaalsContact O-CG2 3.29Å; K614-V618 WeakPolarHBondContact O-CG2 3.39Å; K614-V618 PolarHBondContact O-N 3.05Å
615A86Confident86.5Confident38 Ų3882.8 Ų82.831%0.31444%0.442SS..Hα-helixtrans-58.9-42.6-179.700000111.3W611 T612 E613 V618 L619W611-A615 WeakPolarHBondContact O-CB 3.47Å; W611-A615 PolarHBondContact O-N 2.74Å; T612-A615 PolarHBondContact O-N 2.96Å; E613-A615 VanDerWaalsContact C-N 3.31Å; E613-A615 PolarHBondContact O-N 2.86Å; A615-V618 PolarHBondContact O-N 3.02Å; A615-L619 WeakPolarHBondContact O-CB 3.45Å; A615-L619 WeakPolarHBondContact O-CG 3.29Å; A615-L619 PolarHBondContact O-N 3.31Å
616T88Confident86.8Confident92 Ų9281.3 Ų81.356%0.56444%0.438SS*.Hα-helixtrans-64.4-46.3-179.1-51.90000111.8T612 E613 K614 L619 F620T612-T616 PolarHBondContact O-N 3.36Å; T612-T616 PolarHBondContact O-OG1 3.14Å; E613-T616 PolarHBondContact O-N 3.38Å; E613-T616 VanDerWaalsContact O-N 3.14Å; K614-T616 VanDerWaalsContact C-N 3.29Å; K614-T616 PolarHBondContact O-N 3.3Å; T616-L619 PolarHBondContact O-N 3.08Å; T616-F620 WeakPolarHBondContact O-CB 3.47Å; T616-F620 PolarHBondContact O-N 2.99Å
617Y88.8Confident87.4Confident130 Ų13080.9 Ų80.951%0.5144%0.441SS..Hα-helixtrans-66.5-41.6178.1-71.1-63.1000112.7E613 K614 L619 F620 W621E613-Y617 HydrophobicContact CB-CE2 4.43Å; E613-Y617 WeakPolarHBondContact O-CD2 3.24Å; E613-Y617 PolarHBondContact O-N 3.12Å; K614-Y617 PolarHBondContact O-N 3.26Å; Y617-L619 VanDerWaalsContact C-N 3.32Å; Y617-L619 PolarHBondContact O-N 3.45Å; Y617-F620 PolarHBondContact O-N 3.05Å; Y617-W621 VanDerWaalsContact O-CD1 3.27Å; Y617-W621 PolarHBondContact O-N 3.31Å
618V88.9Confident88.2Confident42 Ų4275.9 Ų75.926%0.25541%0.409SS..Hα-helixtrans-63.2-40.5176.4172.10000110.7C603 K614 A615 G622C603-V618 HydrophobicContact CB-CG2 3.77Å; K614-V618 WeakPolarHBondContact O-CB 3.4Å; K614-V618 VanDerWaalsContact O-CG2 3.29Å; K614-V618 WeakPolarHBondContact O-CG2 3.39Å; K614-V618 PolarHBondContact O-N 3.05Å; A615-V618 PolarHBondContact O-N 3.02Å; V618-G622 VanDerWaalsContact O-CA 3.26Å; V618-G622 WeakPolarHBondContact O-CA 3.47Å; V618-G622 PolarHBondContact O-N 3.28Å
619L90.8Very high88.8Confident130 Ų13074.5 Ų74.568%0.68140%0.402SS*.Hα-helixtrans-66.1-42.4175.7-75.7170.4000112.3A615 T616 Y617 G623A615-L619 WeakPolarHBondContact O-CB 3.45Å; A615-L619 WeakPolarHBondContact O-CG 3.29Å; A615-L619 PolarHBondContact O-N 3.31Å; T616-L619 PolarHBondContact O-N 3.08Å; Y617-L619 VanDerWaalsContact C-N 3.32Å; Y617-L619 PolarHBondContact O-N 3.45Å; L619-G623 WeakPolarHBondContact O-CA 3.32Å; L619-G623 PolarHBondContact O-N 2.85Å
620F93.7Very high89.5Confident127 Ų12775 Ų7556%0.55739%0.392SS*.Hα-helixtrans-64-56178.3177.3-97.6000111.7T616 Y617 G623 A624T616-F620 WeakPolarHBondContact O-CB 3.47Å; T616-F620 PolarHBondContact O-N 2.99Å; Y617-F620 PolarHBondContact O-N 3.05Å; F620-G623 PolarHBondContact O-N 3.3Å; F620-A624 WeakPolarHBondContact O-CB 3.47Å; F620-A624 PolarHBondContact O-N 3.03Å
621W95Very high89.8Confident51 Ų5171.1 Ų71.119%0.19338%0.379CS..Hα-helixtrans-70.7-35.6-178.1-69.3117.8000112.4F595 T596 M599 C603 Y617 A624 S625F595-W621 HydrophobicContact CD1-CZ3 4.22Å; F595-W621 AromaticContact CE1-CH2 3.72Å; F595-W621 HydrophobicContact CE1-CH2 3.72Å; F595-W621 AromaticContact CE1-CZ3 3.73Å; F595-W621 HydrophobicContact CE1-CZ3 3.73Å; F595-W621 HydrophobicContact CZ-CH2 4.33Å; T596-W621 HydrophobicContact CG2-CE3 4.08Å; T596-W621 HydrophobicContact CG2-CZ3 4.13Å; M599-W621 HydrophobicContact CB-CB 4.21Å; M599-W621 HydrophobicContact CB-CD2 3.44Å; M599-W621 VanDerWaalsContact CB-CD2 3.44Å; M599-W621 HydrophobicContact CB-CE3 3.76Å; M599-W621 HydrophobicContact CB-CG 3.65Å; M599-W621 HydrophobicContact CB-CZ2 4.34Å; M599-W621 HydrophobicContact CB-CZ3 4.34Å; M599-W621 HydrophobicContact CE-CZ2 3.97Å; M599-W621 HydrophobicContact CG-CD2 4.14Å; M599-W621 HydrophobicContact CG-CE3 4.21Å; M599-W621 HydrophobicContact CG-CH2 4.28Å; M599-W621 HydrophobicContact CG-CZ2 4.2Å; M599-W621 HydrophobicContact CG-CZ3 4.28Å; C603-W621 VanDerWaalsContact SG-CD1 3.57Å; Y617-W621 VanDerWaalsContact O-CD1 3.27Å; Y617-W621 PolarHBondContact O-N 3.31Å; W621-A624 PolarHBondContact O-N 3.15Å; W621-S625 WeakPolarHBondContact O-CB 3.43Å; W621-S625 PolarHBondContact O-N 3.4Å
622G92.9Very high90Very high19 Ų1962.5 Ų62.520%0.19635%0.348CS..Hα-helixtrans-63.3-44.6172.100000111.8V618 S625 V626V618-G622 VanDerWaalsContact O-CA 3.26Å; V618-G622 WeakPolarHBondContact O-CA 3.47Å; V618-G622 PolarHBondContact O-N 3.28Å; G622-S625 WeakPolarHBondContact O-CB 3.44Å; G622-S625 PolarHBondContact O-N 3.45Å; G622-V626 WeakPolarHBondContact O-CG2 3.34Å; G622-V626 PolarHBondContact O-N 2.93Å
623G94.1Very high90.1Very high31 Ų3163.9 Ų63.932%0.3235%0.348SS..Hα-helixtrans-61.4-44.7174.300000112.5L619 F620 S625 V626 L627L619-G623 WeakPolarHBondContact O-CA 3.32Å; L619-G623 PolarHBondContact O-N 2.85Å; F620-G623 PolarHBondContact O-N 3.3Å; G623-S625 VanDerWaalsContact C-N 3.34Å; G623-S625 PolarHBondContact O-N 3.38Å; G623-V626 PolarHBondContact O-N 3.26Å; G623-L627 WeakPolarHBondContact O-CB 3.46Å; G623-L627 WeakPolarHBondContact O-CG 3.28Å; G623-L627 PolarHBondContact O-N 3.26Å
624A94.2Very high90.1Very high27 Ų2763.7 Ų63.722%0.22336%0.361CS..Hα-helixtrans-63.2-38.3175.700000112.5T596 F620 W621 L627 S628T596-A624 HydrophobicContact CG2-CB 3.7Å; F620-A624 WeakPolarHBondContact O-CB 3.47Å; F620-A624 PolarHBondContact O-N 3.03Å; W621-A624 PolarHBondContact O-N 3.15Å; A624-L627 PolarHBondContact O-N 3.18Å; A624-S628 WeakPolarHBondContact O-CB 3.42Å; A624-S628 PolarHBondContact O-N 3.45Å; A624-S628 PolarHBondContact O-OG 2.88Å
625S92.8Very high90.1Very high10 Ų1066.7 Ų66.77%0.0737%0.372CS..Hα-helixtrans-64.5-43.4174.2-175.90000111.8F593 T596 W621 G622 G623 S628 A629F593-S625 WeakPolarHBondContact CD2-O 3.25Å; F593-S625 WeakPolarHBondContact CE2-OG 3.16Å; T596-S625 WeakPolarHBondContact OG1-CA 3.37Å; W621-S625 WeakPolarHBondContact O-CB 3.43Å; W621-S625 PolarHBondContact O-N 3.4Å; G622-S625 WeakPolarHBondContact O-CB 3.44Å; G622-S625 PolarHBondContact O-N 3.45Å; G623-S625 VanDerWaalsContact C-N 3.34Å; G623-S625 PolarHBondContact O-N 3.38Å; S625-S628 WeakPolarHBondContact CA-OG 3.27Å; S625-S628 PolarHBondContact O-OG 3.4Å; S625-A629 WeakPolarHBondContact O-CB 3.35Å; S625-A629 PolarHBondContact O-N 2.92Å
626V93.2Very high89.8Confident88 Ų8865 Ų6553%0.53336%0.358SS..Hα-helixtrans-64.8-44.7175.4172.30000111.4G622 G623 A629 L630G622-V626 WeakPolarHBondContact O-CG2 3.34Å; G622-V626 PolarHBondContact O-N 2.93Å; G623-V626 PolarHBondContact O-N 3.26Å; V626-A629 PolarHBondContact O-N 2.87Å; V626-L630 HydrophobicContact CG1-CD1 4.03Å; V626-L630 HydrophobicContact CG1-CG 4.36Å; V626-L630 WeakPolarHBondContact O-CB 3.46Å; V626-L630 VanDerWaalsContact O-CG 3.3Å; V626-L630 WeakPolarHBondContact O-CG 3.25Å; V626-L630 PolarHBondContact O-N 3.33Å
627L93.4Very high89.4Confident122 Ų12263.8 Ų63.864%0.63935%0.348SS*.Hα-helixtrans-63.7-44.2179.3-74.8171.6000112.4G623 A624 L630 A631G623-L627 WeakPolarHBondContact O-CB 3.46Å; G623-L627 WeakPolarHBondContact O-CG 3.28Å; G623-L627 PolarHBondContact O-N 3.26Å; A624-L627 PolarHBondContact O-N 3.18Å; L627-L630 PolarHBondContact O-N 3.47Å; L627-A631 PolarHBondContact O-N 3.19Å
628S90.7Very high89Confident10 Ų1059.1 Ų59.17%0.0733%0.332CS..Hα-helixtrans-65-39.4176.252.30000111.8A624 S625 A631 I632A624-S628 WeakPolarHBondContact O-CB 3.42Å; A624-S628 PolarHBondContact O-N 3.45Å; A624-S628 PolarHBondContact O-OG 2.88Å; S625-S628 WeakPolarHBondContact CA-OG 3.27Å; S625-S628 PolarHBondContact O-OG 3.4Å; S628-A631 PolarHBondContact O-N 3.17Å; S628-I632 VanDerWaalsContact O-CG1 3.32Å; S628-I632 WeakPolarHBondContact O-CG1 3.49Å; S628-I632 PolarHBondContact O-N 3.13Å
629A89.1Confident88.7Confident22 Ų2258.7 Ų58.718%0.18233%0.326CS..Hα-helixtrans-61.2-46.4171.800000112F593 S625 V626 A631 I632 F633F593-A629 HydrophobicContact CD2-CB 4.05Å; F593-A629 HydrophobicContact CE2-CB 3.83Å; S625-A629 WeakPolarHBondContact O-CB 3.35Å; S625-A629 PolarHBondContact O-N 2.92Å; V626-A629 PolarHBondContact O-N 2.87Å; A629-A631 VanDerWaalsContact C-N 3.3Å; A629-A631 PolarHBondContact O-N 3.43Å; A629-I632 PolarHBondContact O-N 3.06Å; A629-F633 WeakPolarHBondContact O-CD2 3.42Å; A629-F633 PolarHBondContact O-N 3.3Å
630L90.5Very high88.4Confident104 Ų10453 Ų5355%0.54530%0.297SS..Hα-helixtrans-60.3-39.8177.2-73.3173.7000112V626 L627 F633 A634V626-L630 HydrophobicContact CG1-CD1 4.03Å; V626-L630 HydrophobicContact CG1-CG 4.36Å; V626-L630 WeakPolarHBondContact O-CB 3.46Å; V626-L630 VanDerWaalsContact O-CG 3.3Å; V626-L630 WeakPolarHBondContact O-CG 3.25Å; V626-L630 PolarHBondContact O-N 3.33Å; L627-L630 PolarHBondContact O-N 3.47Å; L630-F633 PolarHBondContact O-N 2.79Å; L630-A634 WeakPolarHBondContact O-CB 3.47Å; L630-A634 PolarHBondContact O-N 3.38Å
631A88.1Confident88Confident29 Ų2949.4 Ų49.424%0.2428%0.284CS..Hα-helixtrans-62.5-45.7174.100000111.6L589 L627 S628 A629 F633 A634 Y635L589-A631 HydrophobicContact CD1-CB 4.46Å; L589-A631 HydrophobicContact CD2-CB 4.25Å; L627-A631 PolarHBondContact O-N 3.19Å; S628-A631 PolarHBondContact O-N 3.17Å; A629-A631 VanDerWaalsContact C-N 3.3Å; A629-A631 PolarHBondContact O-N 3.43Å; A631-F633 VanDerWaalsContact C-N 3.32Å; A631-F633 PolarHBondContact O-N 3.08Å; A631-A634 PolarHBondContact O-N 3.38Å; A631-A634 VanDerWaalsContact O-N 3.17Å; A631-Y635 VanDerWaalsContact O-CD2 3.27Å; A631-Y635 WeakPolarHBondContact O-CD2 3.29Å; A631-Y635 PolarHBondContact O-N 3.5Å; A631-Y635 VanDerWaalsContact O-N 3.09Å
632I87.5Confident87.4Confident25 Ų2550.4 Ų50.413%0.12829%0.291CS..Hα-helixtrans-58-44.5175.5-68.4165.5000110.9L285 L589 F593 S628 A629 Y635 G636 F639L285-I632 HydrophobicContact CD1-CG2 3.64Å; L589-I632 HydrophobicContact CB-CD1 4.39Å; L589-I632 HydrophobicContact CB-CG1 3.88Å; F593-I632 HydrophobicContact CB-CD1 3.84Å; F593-I632 HydrophobicContact CG-CD1 4.25Å; S628-I632 VanDerWaalsContact O-CG1 3.32Å; S628-I632 WeakPolarHBondContact O-CG1 3.49Å; S628-I632 PolarHBondContact O-N 3.13Å; A629-I632 PolarHBondContact O-N 3.06Å; I632-Y635 CarbonylContact O-C 3.59Å; I632-Y635 PolarHBondContact O-N 3.06Å; I632-G636 WeakPolarHBondContact O-CA 3.36Å; I632-G636 PolarHBondContact O-N 3.36Å; I632-F639 HydrophobicContact CB-CE2 4.29Å; I632-F639 HydrophobicContact CB-CZ 4.48Å; I632-F639 HydrophobicContact CG1-CE2 4.36Å; I632-F639 HydrophobicContact CG1-CZ 4.07Å; I632-F639 HydrophobicContact CG2-CD2 4.03Å; I632-F639 HydrophobicContact CG2-CE2 4.03Å; I632-F639 HydrophobicContact CG2-CG 4.32Å; I632-F639 HydrophobicContact CG2-CZ 4.3Å
633F86.2Confident87.1Confident96 Ų9650.7 Ų50.742%0.42129%0.289SS..Hα-helixtrans-68.6-31.9177.4-82.1-72000113.6L285 A629 L630 A631 Y635 G636L285-F633 HydrophobicContact CB-CD1 3.95Å; L285-F633 HydrophobicContact CB-CE1 4.01Å; L285-F633 WeakPolarHBondContact O-CE1 3.35Å; A629-F633 WeakPolarHBondContact O-CD2 3.42Å; A629-F633 PolarHBondContact O-N 3.3Å; L630-F633 PolarHBondContact O-N 2.79Å; A631-F633 VanDerWaalsContact C-N 3.32Å; A631-F633 PolarHBondContact O-N 3.08Å; F633-Y635 VanDerWaalsContact C-N 3.35Å; F633-G636 PolarHBondContact O-N 3.37Å
634A85.3Confident86.4Confident81 Ų8153.2 Ų53.267%0.66929%0.289SS*.Hα-helixtrans-66.5-38.6175.900000111.6L630 A631 G636L630-A634 WeakPolarHBondContact O-CB 3.47Å; L630-A634 PolarHBondContact O-N 3.38Å; A631-A634 PolarHBondContact O-N 3.38Å; A631-A634 VanDerWaalsContact O-N 3.17Å; A634-G636 VanDerWaalsContact C-N 3.34Å
635Y82.3Confident85.8Confident126 Ų12652 Ų5249%0.49428%0.279SS..THydrogen-bonded Turntrans-96.224.3174.3-62.5-76000112.8A631 I632 F633 D637 D638 F639A631-Y635 VanDerWaalsContact O-CD2 3.27Å; A631-Y635 WeakPolarHBondContact O-CD2 3.29Å; A631-Y635 PolarHBondContact O-N 3.5Å; A631-Y635 VanDerWaalsContact O-N 3.09Å; I632-Y635 CarbonylContact O-C 3.59Å; I632-Y635 PolarHBondContact O-N 3.06Å; F633-Y635 VanDerWaalsContact C-N 3.35Å; Y635-D637 PolarHBondContact O-N 3.41Å; Y635-D638 WeakPolarHBondContact O-CB 3.45Å; Y635-D638 PolarHBondContact O-N 3.4Å; Y635-F639 WeakPolarHBondContact O-CD2 3.09Å
636G81.1Confident84.3Confident2 Ų253.8 Ų53.82%0.02129%0.29CS..Hα-helixtrans-55.5-34.8-168.400000114.4I632 F633 A634 D638 F639 V640I632-G636 WeakPolarHBondContact O-CA 3.36Å; I632-G636 PolarHBondContact O-N 3.36Å; F633-G636 PolarHBondContact O-N 3.37Å; A634-G636 VanDerWaalsContact C-N 3.34Å; G636-D638 PolarHBondContact O-N 3.32Å; G636-F639 PolarHBondContact O-N 2.98Å; G636-V640 WeakPolarHBondContact O-CG2 3.45Å; G636-V640 PolarHBondContact O-N 3.32Å
637D79.2Confident82.2Confident67 Ų6753.2 Ų53.236%0.35829%0.289SS..Hα-helixtrans-54.7-35.1174.7-74-13.6000113N284 Y635 F639 V640 H642N284-D637 WeakPolarHBondContact CA-OD1 3.23Å; N284-D637 WeakPolarHBondContact CB-OD1 3.33Å; Y635-D637 PolarHBondContact O-N 3.41Å; D637-F639 VanDerWaalsContact C-N 3.35Å; D637-V640 PolarHBondContact O-N 2.82Å; D637-H642 PolarHBondContact O-NE2 2.93Å
638D80.2Confident79.6Confident33 Ų3358.2 Ų58.218%0.17632%0.316CS..Hα-helixtrans-77.3-22.7-175.5-72.2-16.9000113K578 S582 T586 Y635 G636K578-D638 PolarHBondContact NZ-O 2.81Å; S582-D638 PolarHBondContact OG-OD2 2.89Å; T586-D638 HydrophobicContact CG2-CB 3.65Å; Y635-D638 WeakPolarHBondContact O-CB 3.45Å; Y635-D638 PolarHBondContact O-N 3.4Å; G636-D638 PolarHBondContact O-N 3.32Å
639F82.2Confident79Confident32 Ų3260.6 Ų60.614%0.1433%0.328CS..Hα-helixtrans-88.7-9.9177.8-69-83.1000113.4L285 T586 L589 P590 I632 Y635 G636 D637L285-F639 HydrophobicContact CD1-CB 3.94Å; L285-F639 HydrophobicContact CD1-CD2 4.31Å; L285-F639 HydrophobicContact CD1-CG 4.35Å; L285-F639 HydrophobicContact CD2-CB 4.32Å; L285-F639 HydrophobicContact CG-CB 4.35Å; T586-F639 HydrophobicContact CG2-CD1 4.33Å; T586-F639 HydrophobicContact CG2-CE1 4.13Å; T586-F639 HydrophobicContact CG2-CE2 4.32Å; T586-F639 HydrophobicContact CG2-CZ 4.12Å; T586-F639 VanDerWaalsContact O-CE1 3.27Å; T586-F639 WeakPolarHBondContact O-CE1 3.12Å; L589-F639 HydrophobicContact CB-CZ 4.11Å; L589-F639 HydrophobicContact CD1-CZ 4.07Å; P590-F639 HydrophobicContact CG-CD1 4.3Å; P590-F639 HydrophobicContact CG-CE1 3.65Å; I632-F639 HydrophobicContact CB-CE2 4.29Å; I632-F639 HydrophobicContact CB-CZ 4.48Å; I632-F639 HydrophobicContact CG1-CE2 4.36Å; I632-F639 HydrophobicContact CG1-CZ 4.07Å; I632-F639 HydrophobicContact CG2-CD2 4.03Å; I632-F639 HydrophobicContact CG2-CE2 4.03Å; I632-F639 HydrophobicContact CG2-CG 4.32Å; I632-F639 HydrophobicContact CG2-CZ 4.3Å; Y635-F639 WeakPolarHBondContact O-CD2 3.09Å; G636-F639 PolarHBondContact O-N 2.98Å; D637-F639 VanDerWaalsContact C-N 3.35Å
640V85.1Confident78.5Confident10 Ų1062.6 Ų62.66%0.06134%0.336CS..SBendtrans-79.6136.4-179.5167.20000110.6P283 L285 N537 G636 D637 H642P283-V640 HydrophobicContact CB-CG1 3.78Å; P283-V640 HydrophobicContact CB-CG2 4.22Å; P283-V640 HydrophobicContact CG-CG1 3.69Å; L285-V640 HydrophobicContact CD2-CG2 4.12Å; L285-V640 HydrophobicContact CG-CG2 4.4Å; N537-V640 HydrophobicContact CB-CG2 4.38Å; N537-V640 CarbonylContact O-C 3.57Å; N537-V640 VanDerWaalsContact O-CA 3.3Å; N537-V640 WeakPolarHBondContact O-CA 3.1Å; G636-V640 WeakPolarHBondContact O-CG2 3.45Å; G636-V640 PolarHBondContact O-N 3.32Å; D637-V640 PolarHBondContact O-N 2.82Å; V640-H642 VanDerWaalsContact CG1-CE1 3.48Å; V640-H642 WeakPolarHBondContact CG1-CE1 3.21Å; V640-H642 PolarHBondContact O-CD2 3.37Å; V640-H642 PolarHBondContact O-N 3.31Å
641N84.2Confident77.8Confident53 Ų5360.3 Ų60.328%0.28332%0.324SS..  trans-74.587.5170-174.3-99.9000109.5N537 F538 G541 F542N537-N641 PolarHBondContact O-N 2.89Å; F538-N641 VanDerWaalsContact C-CB 3.44Å; F538-N641 WeakPolarHBondContact O-CB 3.46Å; G541-N641 WeakPolarHBondContact CA-O 3.29Å; G541-N641 WeakPolarHBondContact CA-OD1 3.06Å; G541-N641 PolarHBondContact N-O 3.09Å; G541-N641 VanDerWaalsContact N-O 3.13Å; G541-N641 PolarHBondContact N-OD1 2.95Å; G541-N641 VanDerWaalsContact N-OD1 3.14Å; F542-N641 PolarHBondContact N-OD1 2.87Å
642H82.8Confident77.2Confident72 Ų7262.2 Ų62.233%0.33333%0.329SS..  trans-76.9146.9174.3-64.5-76.1000111.1D637 V640D637-H642 PolarHBondContact O-NE2 2.93Å; V640-H642 VanDerWaalsContact CG1-CE1 3.48Å; V640-H642 WeakPolarHBondContact CG1-CE1 3.21Å; V640-H642 PolarHBondContact O-CD2 3.37Å; V640-H642 PolarHBondContact O-N 3.31Å
643P86Confident76.6Confident25 Ų2564.5 Ų64.516%0.16234%0.342CS..  trans-60.8138.8171.625.9-32.9000110.1N239 Q544 D545N239-P643 HydrophobicContact CB-CG 4.36Å; Q544-P643 HydrophobicContact CB-CB 4.12Å; Q544-P643 HydrophobicContact CG-CB 3.98Å; Q544-P643 HydrophobicContact CG-CG 4.47Å; D545-P643 WeakPolarHBondContact OD1-CA 3.36Å; D545-P643 WeakPolarHBondContact OD1-CB 3.47Å
644R80.8Confident75.9Confident83 Ų8362.4 Ų62.431%0.31334%0.336SS..SBendtrans-85.3-37.4178.1-59.9-178-175.8-177.75.8110.9D545 P572 C646D545-R644 VanDerWaalsContact CG-N 3.29Å; D545-R644 PolarHBondContact OD1-N 2.94Å; D545-R644 WeakPolarHBondContact OD2-CB 3.41Å; D545-R644 PolarHBondContact OD2-N 3.33Å; P572-R644 WeakPolarHBondContact CB-O 3.22Å; R644-C646 PolarHBondContact O-N 2.89Å
645F80.8Confident75.3Confident3 Ų361.1 Ų61.11%0.01331%0.313CS..  trans-82.9106.5-176.7-52.3-28.2000109Y114 M117 D545 H548 Y554 L566 P572 P647Y114-F645 AromaticContact CE1-CZ 3.9Å; Y114-F645 HydrophobicContact CE1-CZ 3.9Å; M117-F645 HydrophobicContact CE-CE2 4.14Å; M117-F645 HydrophobicContact CE-CZ 4Å; M117-F645 HydrophobicContact SD-CE2 3.81Å; M117-F645 HydrophobicContact SD-CZ 4Å; D545-F645 HydrophobicContact CB-CD2 3.52Å; D545-F645 HydrophobicContact CB-CE2 3.61Å; D545-F645 HydrophobicContact CB-CG 4.25Å; D545-F645 HydrophobicContact CB-CZ 4.38Å; D545-F645 WeakPolarHBondContact O-CD2 3.48Å; D545-F645 PolarHBondContact OD1-N 2.66Å; H548-F645 HydrophobicContact CB-CB 4.34Å; H548-F645 HydrophobicContact CB-CD2 4.29Å; H548-F645 PolarHBondContact CE1-O 2.71Å; H548-F645 PolarHBondContact ND1-O 3.26Å; Y554-F645 HydrophobicContact CD1-CD1 4.13Å; Y554-F645 AromaticContact CD1-CD2 3.88Å; Y554-F645 HydrophobicContact CD1-CD2 3.88Å; Y554-F645 AromaticContact CD1-CE1 4Å; Y554-F645 HydrophobicContact CD1-CE1 4Å; Y554-F645 AromaticContact CD1-CE2 3.72Å; Y554-F645 HydrophobicContact CD1-CE2 3.72Å; Y554-F645 HydrophobicContact CD1-CG 4.11Å; Y554-F645 AromaticContact CD1-CZ 3.82Å; Y554-F645 HydrophobicContact CD1-CZ 3.82Å; Y554-F645 HydrophobicContact CD2-CB 4.09Å; Y554-F645 AromaticContact CD2-CD1 3.63Å; Y554-F645 HydrophobicContact CD2-CD1 3.63Å; Y554-F645 HydrophobicContact CD2-CD2 4.3Å; Y554-F645 HydrophobicContact CD2-CE1 4.17Å; Y554-F645 AromaticContact CD2-CG 3.73Å; Y554-F645 HydrophobicContact CD2-CG 3.73Å; Y554-F645 HydrophobicContact CE1-CD1 4.16Å; Y554-F645 AromaticContact CE1-CE1 3.71Å; Y554-F645 HydrophobicContact CE1-CE1 3.71Å; Y554-F645 HydrophobicContact CE1-CE2 4.11Å; Y554-F645 AromaticContact CE1-CZ 3.71Å; Y554-F645 HydrophobicContact CE1-CZ 3.71Å; Y554-F645 AromaticContact CE2-CD1 3.66Å; Y554-F645 HydrophobicContact CE2-CD1 3.66Å; Y554-F645 AromaticContact CE2-CE1 3.89Å; Y554-F645 HydrophobicContact CE2-CE1 3.89Å; Y554-F645 HydrophobicContact CE2-CG 4.25Å; Y554-F645 HydrophobicContact CG-CB 4.18Å; Y554-F645 AromaticContact CG-CD1 3.86Å; Y554-F645 HydrophobicContact CG-CD1 3.86Å; Y554-F645 AromaticContact CG-CD2 3.72Å; Y554-F645 HydrophobicContact CG-CD2 3.72Å; Y554-F645 HydrophobicContact CG-CE1 4.21Å; Y554-F645 HydrophobicContact CG-CE2 4.08Å; Y554-F645 AromaticContact CG-CG 3.64Å; Y554-F645 HydrophobicContact CG-CG 3.64Å; Y554-F645 HydrophobicContact CG-CZ 4.33Å; Y554-F645 AromaticContact CZ-CD1 3.92Å; Y554-F645 AromaticContact CZ-CE1 3.63Å; L566-F645 HydrophobicContact CD1-CE1 3.62Å; L566-F645 HydrophobicContact CD1-CZ 3.88Å; P572-F645 HydrophobicContact CG-CD1 3.87Å; P572-F645 HydrophobicContact CG-CE1 4.14Å; F645-P647 WeakPolarHBondContact O-CD 3.46Å
646C61.9Low74.7Confident47 Ų4756.1 Ų56.132%0.31830%0.299SS..  trans-82.5119.4162.8-70.60000107.3R644 D648R644-C646 PolarHBondContact O-N 2.89Å; C646-D648 VanDerWaalsContact C-N 3.29Å; C646-D648 PolarHBondContact O-N 3.39Å
647P48.3Very low74.2Confident76 Ų7660.6 Ų60.649%0.49432%0.322SS..  trans-67.6102.2156.127.3-24.9000104.9F645F645-P647 WeakPolarHBondContact O-CD 3.46Å
648D39Very low73.8Confident226 Ų22660 Ų60100%1.20932%0.318SS*.  trans-63.20164.1-72.5-33.1000109.5C646C646-D648 VanDerWaalsContact C-N 3.29Å; C646-D648 PolarHBondContact O-N 3.39Å

Retrieved 648 of 648 residues in 154.6 ms (Link to these results)

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