A0A077ZKP8_TRITR Loading...

Tex N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 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
1M34.4Very low48Very low243 Ų243138 Ų138100%1.19770%0.698SS**  075.70-70.9-175.3-159.100108.1R3M1-R3 PolarHBondContact O-N 3.21Å
2E26Very low51.7Low195 Ų195127.3 Ų127.391%0.91165%0.646SS**  trans-77.7105.8171.3-103.5171.1156.200107.7S4E2-S4 PolarHBondContact O-N 3.33Å; E2-S4 VanDerWaalsContact O-N 3.17Å
3R32Very low54.9Low229 Ų229123.1 Ų123.186%0.86463%0.631SS**  trans-66.8109.7166.3-77.8-178.2175.5-176.1-3.1106.3M1 Q5M1-R3 PolarHBondContact O-N 3.21Å; R3-Q5 PolarHBondContact O-N 3.29Å
4S32Very low57.7Low83 Ų83115.4 Ų115.458%0.5859%0.59SS**  trans-48.7109.4175.446.20000110.3E2 I6E2-S4 PolarHBondContact O-N 3.33Å; E2-S4 VanDerWaalsContact O-N 3.17Å; S4-I6 VanDerWaalsContact C-N 3.3Å; S4-I6 PolarHBondContact O-N 3Å
5Q28Very low60.1Low200 Ų200110.3 Ų110.394%0.93557%0.569SS**  trans-66.692.8162.6-75.1-175.3-15.400107.5R3R3-Q5 PolarHBondContact O-N 3.29Å
6I35.4Very low62.3Low101 Ų101103.9 Ų103.952%0.51854%0.537SS..  trans-93.3135.7166.3-63.1173.9000107S4S4-I6 VanDerWaalsContact C-N 3.3Å; S4-I6 PolarHBondContact O-N 3Å
7G35.1Very low64.2Low71 Ų7199.9 Ų99.973%0.73252%0.515SS*.SBendtrans-53.9160.2179.600000113.8
8M51.1Low65.9Low168 Ų16897.9 Ų97.983%0.82851%0.506SS*.SBendtrans70.7113.3-158-97165.215700112.7W10M8-W10 PolarHBondContact O-N 2.81Å
9S71.6Confident67.5Low74 Ų7493.1 Ų93.152%0.51748%0.481SS..  trans-55102.7178.763.80000109.6Y11S9-Y11 VanDerWaalsContact O-CD2 3.27Å; S9-Y11 WeakPolarHBondContact O-CD2 3.07Å; S9-Y11 WeakPolarHBondContact O-CE2 3.37Å; S9-Y11 PolarHBondContact O-N 2.84Å; S9-Y11 WeakPolarHBondContact OG-CE1 3.35Å; S9-Y11 PolarHBondContact OG-OH 2.85Å; S9-Y11 VanDerWaalsContact OG-OH 3.1Å
10W89.4Confident68.9Low90 Ų9088.5 Ų88.534%0.34146%0.457SS..  trans-67.5121.4172.4-166.7-91.3000107.8M8 A12 W14 A16 A74 K75 N78M8-W10 PolarHBondContact O-N 2.81Å; W10-A12 VanDerWaalsContact CD1-O 3.29Å; W10-W14 HydrophobicContact CH2-CZ3 4.37Å; W10-W14 HydrophobicContact CZ2-CE3 4.01Å; W10-W14 HydrophobicContact CZ2-CH2 4.3Å; W10-W14 AromaticContact CZ2-CZ3 3.58Å; W10-W14 HydrophobicContact CZ2-CZ3 3.58Å; W10-W14 PolarHBondContact NE1-O 3.39Å; W10-A16 HydrophobicContact CH2-CB 3.75Å; W10-A16 HydrophobicContact CZ2-CB 4.22Å; W10-A16 HydrophobicContact CZ3-CB 4.32Å; W10-A74 HydrophobicContact CH2-CB 4.35Å; W10-K75 HydrophobicContact CZ3-CG 4.23Å; W10-N78 HydrophobicContact CD2-CB 4.37Å; W10-N78 HydrophobicContact CE3-CB 4.32Å; W10-N78 HydrophobicContact CH2-CB 3.94Å; W10-N78 HydrophobicContact CZ2-CB 3.99Å; W10-N78 HydrophobicContact CZ3-CB 4.11Å
11Y92.9Very high70.1Confident64 Ų6487.1 Ų87.125%0.25145%0.448SS..  trans-91.7-33.2-171.6-63.1-74.8000112S9 N78 L85 R103S9-Y11 VanDerWaalsContact O-CD2 3.27Å; S9-Y11 WeakPolarHBondContact O-CD2 3.07Å; S9-Y11 WeakPolarHBondContact O-CE2 3.37Å; S9-Y11 PolarHBondContact O-N 2.84Å; S9-Y11 WeakPolarHBondContact OG-CE1 3.35Å; S9-Y11 PolarHBondContact OG-OH 2.85Å; S9-Y11 VanDerWaalsContact OG-OH 3.1Å; Y11-N78 WeakPolarHBondContact CA-OD1 3.47Å; Y11-N78 PolarHBondContact N-OD1 2.81Å; Y11-L85 HydrophobicContact CD1-CD1 4.23Å; Y11-R103 WeakPolarHBondContact O-CD 3Å; Y11-R103 WeakPolarHBondContact O-CG 3.13Å
12A92.9Very high73Confident10 Ų1080 Ų808%0.08341%0.411CS..SBendtrans-71.3156.5-177.500000112.6W10 W14 N78 I81 R103W10-A12 VanDerWaalsContact CD1-O 3.29Å; A12-W14 VanDerWaalsContact C-N 3.32Å; A12-W14 HydrophobicContact CB-CD2 3.83Å; A12-W14 VanDerWaalsContact CB-CE2 3.49Å; A12-W14 HydrophobicContact CB-CE3 4.35Å; A12-W14 HydrophobicContact CB-CG 4.23Å; A12-W14 HydrophobicContact CB-CH2 4.29Å; A12-W14 HydrophobicContact CB-CZ2 3.73Å; A12-N78 PolarHBondContact N-OD1 2.9Å; A12-I81 HydrophobicContact CB-CD1 3.82Å; A12-R103 VanDerWaalsContact CA-O 3.26Å; A12-R103 WeakPolarHBondContact CA-O 3.34Å; A12-R103 WeakPolarHBondContact CB-O 3.38Å
13T92.7Very high76.1Confident72 Ų7275.5 Ų75.544%0.44239%0.389SS..SBendtrans-77.9-18.1176.453.70000113.7E100 R103 Q104T13-E100 WeakPolarHBondContact CG2-OE1 3.49Å; T13-R103 HydrophobicContact CG2-CB 3.71Å; T13-R103 PolarHBondContact N-O 3.03Å; T13-R103 PolarHBondContact OG1-O 2.85Å; T13-Q104 HydrophobicContact CG2-CG 4.36Å
14W94Very high79.1Confident15 Ų1565.2 Ų65.26%0.05735%0.351CS..SBendtrans-100.2149.1175.846.4-94.5000110.3W10 A12 Y19 A74 I77 I81 A105 K106W10-W14 HydrophobicContact CH2-CZ3 4.37Å; W10-W14 HydrophobicContact CZ2-CE3 4.01Å; W10-W14 HydrophobicContact CZ2-CH2 4.3Å; W10-W14 AromaticContact CZ2-CZ3 3.58Å; W10-W14 HydrophobicContact CZ2-CZ3 3.58Å; W10-W14 PolarHBondContact NE1-O 3.39Å; A12-W14 VanDerWaalsContact C-N 3.32Å; A12-W14 HydrophobicContact CB-CD2 3.83Å; A12-W14 VanDerWaalsContact CB-CE2 3.49Å; A12-W14 HydrophobicContact CB-CE3 4.35Å; A12-W14 HydrophobicContact CB-CG 4.23Å; A12-W14 HydrophobicContact CB-CH2 4.29Å; A12-W14 HydrophobicContact CB-CZ2 3.73Å; W14-Y19 HydrophobicContact CD2-CD2 4.35Å; W14-Y19 AromaticContact CE3-CD2 3.88Å; W14-Y19 HydrophobicContact CE3-CD2 3.88Å; W14-Y19 HydrophobicContact CE3-CG 4.27Å; W14-Y19 AromaticContact CH2-CD2 3.91Å; W14-Y19 HydrophobicContact CH2-CD2 3.91Å; W14-Y19 HydrophobicContact CH2-CE2 4.31Å; W14-Y19 HydrophobicContact CZ2-CD2 4.36Å; W14-Y19 AromaticContact CZ3-CD2 3.62Å; W14-Y19 HydrophobicContact CZ3-CD2 3.62Å; W14-Y19 HydrophobicContact CZ3-CE2 4.45Å; W14-Y19 AromaticContact CZ3-CG 3.95Å; W14-Y19 HydrophobicContact CZ3-CG 3.95Å; W14-A74 HydrophobicContact CH2-CB 4.45Å; W14-A74 HydrophobicContact CZ3-CB 3.97Å; W14-I77 HydrophobicContact CH2-CB 4.14Å; W14-I77 HydrophobicContact CH2-CG2 3.83Å; W14-I77 HydrophobicContact CZ2-CB 4.43Å; W14-I77 HydrophobicContact CZ2-CG2 3.62Å; W14-I81 HydrophobicContact CZ2-CD1 4.07Å; W14-A105 VanDerWaalsContact CZ2-O 3.27Å; W14-A105 WeakPolarHBondContact CZ2-O 3.42Å; W14-A105 PolarHBondContact NE1-O 3.09Å; W14-K106 HydrophobicContact CG-CG 4.49Å
15S94.1Very high82Confident39 Ų3965.7 Ų65.727%0.27335%0.352SS..  trans-88.8165.2176.470.30000112.7E17 D18 Y19S15-E17 PolarHBondContact O-N 3.48Å; S15-E17 PolarHBondContact OG-N 2.87Å; S15-D18 WeakPolarHBondContact CB-OD2 3.34Å; S15-D18 PolarHBondContact N-OD2 2.91Å; S15-D18 PolarHBondContact O-N 2.99Å; S15-D18 PolarHBondContact OG-N 2.96Å; S15-D18 VanDerWaalsContact OG-N 3.13Å; S15-D18 PolarHBondContact OG-OD2 3.01Å; S15-Y19 PolarHBondContact O-N 2.85Å
16A94.7Very high85.1Confident8 Ų859.1 Ų59.17%0.06633%0.328CS..Hα-helixtrans-58.5-34.2171.400000112.3W10 Y19 V20 V36 F71 A74W10-A16 HydrophobicContact CH2-CB 3.75Å; W10-A16 HydrophobicContact CZ2-CB 4.22Å; W10-A16 HydrophobicContact CZ3-CB 4.32Å; A16-Y19 PolarHBondContact O-N 2.86Å; A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.44Å; A16-V20 PolarHBondContact O-N 2.78Å; A16-V36 HydrophobicContact CB-CG1 4.07Å; A16-F71 HydrophobicContact CB-CD2 4.07Å; A16-F71 HydrophobicContact CB-CE2 4.32Å; A16-A74 HydrophobicContact CB-CB 4.49Å
17E95.4Very high87.8Confident36 Ų3654.4 Ų54.417%0.16830%0.304CS..Hα-helixtrans-63.6-48.1175.4-60.6178.3-170.300111.4S15 Y19 V20 K21 R33 V36S15-E17 PolarHBondContact O-N 3.48Å; S15-E17 PolarHBondContact OG-N 2.87Å; E17-Y19 VanDerWaalsContact C-N 3.31Å; E17-Y19 PolarHBondContact O-N 3.09Å; E17-V20 PolarHBondContact O-N 3.16Å; E17-K21 VanDerWaalsContact O-CB 3.3Å; E17-K21 WeakPolarHBondContact O-CB 3.43Å; E17-K21 PolarHBondContact O-N 2.91Å; E17-R33 WeakPolarHBondContact OE2-CG 3.37Å; E17-V36 HydrophobicContact CG-CB 3.91Å; E17-V36 HydrophobicContact CG-CG1 3.73Å; E17-V36 HydrophobicContact CG-CG2 4.35Å
18D94.2Very high90.6Very high65 Ų6553.7 Ų53.735%0.34829%0.288SS..Hα-helixtrans-60.5-43.9178.2-60.4-45.9000110.7S15 K21 E22S15-D18 WeakPolarHBondContact CB-OD2 3.34Å; S15-D18 PolarHBondContact N-OD2 2.91Å; S15-D18 PolarHBondContact O-N 2.99Å; S15-D18 PolarHBondContact OG-N 2.96Å; S15-D18 VanDerWaalsContact OG-N 3.13Å; S15-D18 PolarHBondContact OG-OD2 3.01Å; D18-K21 PolarHBondContact O-N 3.46Å; D18-E22 VanDerWaalsContact O-CB 3.3Å; D18-E22 WeakPolarHBondContact O-CB 3.49Å; D18-E22 PolarHBondContact O-N 2.91Å
19Y95.8Very high92.5Very high6 Ų651.7 Ų51.72%0.02427%0.272CS..Hα-helixtrans-61.4-51.5178.4-166-88.3000111.5W14 S15 A16 E17 K21 E22 F23 L70 E73 A74 I77 K106W14-Y19 HydrophobicContact CD2-CD2 4.35Å; W14-Y19 AromaticContact CE3-CD2 3.88Å; W14-Y19 HydrophobicContact CE3-CD2 3.88Å; W14-Y19 HydrophobicContact CE3-CG 4.27Å; W14-Y19 AromaticContact CH2-CD2 3.91Å; W14-Y19 HydrophobicContact CH2-CD2 3.91Å; W14-Y19 HydrophobicContact CH2-CE2 4.31Å; W14-Y19 HydrophobicContact CZ2-CD2 4.36Å; W14-Y19 AromaticContact CZ3-CD2 3.62Å; W14-Y19 HydrophobicContact CZ3-CD2 3.62Å; W14-Y19 HydrophobicContact CZ3-CE2 4.45Å; W14-Y19 AromaticContact CZ3-CG 3.95Å; W14-Y19 HydrophobicContact CZ3-CG 3.95Å; S15-Y19 PolarHBondContact O-N 2.85Å; A16-Y19 PolarHBondContact O-N 2.86Å; E17-Y19 VanDerWaalsContact C-N 3.31Å; E17-Y19 PolarHBondContact O-N 3.09Å; Y19-K21 VanDerWaalsContact C-N 3.29Å; Y19-K21 PolarHBondContact O-N 2.75Å; Y19-E22 PolarHBondContact O-N 3.23Å; Y19-F23 AromaticContact CD1-CD2 3.84Å; Y19-F23 HydrophobicContact CD1-CD2 3.84Å; Y19-F23 HydrophobicContact CD1-CE2 4.31Å; Y19-F23 HydrophobicContact CD2-CD2 4.16Å; Y19-F23 AromaticContact CD2-CE2 3.85Å; Y19-F23 HydrophobicContact CD2-CE2 3.85Å; Y19-F23 AromaticContact CE1-CD2 3.63Å; Y19-F23 HydrophobicContact CE1-CD2 3.63Å; Y19-F23 AromaticContact CE1-CE2 3.94Å; Y19-F23 HydrophobicContact CE1-CE2 3.94Å; Y19-F23 AromaticContact CE2-CD2 3.96Å; Y19-F23 HydrophobicContact CE2-CD2 3.96Å; Y19-F23 AromaticContact CE2-CE2 3.43Å; Y19-F23 HydrophobicContact CE2-CE2 3.43Å; Y19-F23 VanDerWaalsContact CE2-CE2 3.43Å; Y19-F23 HydrophobicContact CE2-CZ 4.36Å; Y19-F23 HydrophobicContact CG-CD2 4.1Å; Y19-F23 HydrophobicContact CG-CE2 4.27Å; Y19-F23 AromaticContact CZ-CD2 3.68Å; Y19-F23 AromaticContact CZ-CE2 3.47Å; Y19-F23 VanDerWaalsContact CZ-CE2 3.47Å; Y19-F23 VanDerWaalsContact O-CD2 3.27Å; Y19-F23 WeakPolarHBondContact O-CD2 3.22Å; Y19-F23 PolarHBondContact O-N 3.32Å; Y19-F23 VanDerWaalsContact O-N 3.12Å; Y19-L70 HydrophobicContact CE1-CD2 4.34Å; Y19-E73 HydrophobicContact CE1-CG 4.42Å; Y19-A74 HydrophobicContact CD1-CB 3.74Å; Y19-A74 HydrophobicContact CE1-CB 4.35Å; Y19-A74 HydrophobicContact CG-CB 3.89Å; Y19-I77 HydrophobicContact CE2-CD1 4.05Å; Y19-I77 VanDerWaalsContact OH-CD1 3.29Å; Y19-I77 WeakPolarHBondContact OH-CD1 3.28Å; Y19-K106 HydrophobicContact CE2-CB 4.17Å; Y19-K106 WeakPolarHBondContact CE2-O 3.48Å; Y19-K106 PolarHBondContact OH-O 2.78Å; Y19-K106 VanDerWaalsContact OH-O 3.13Å
20V96Very high93.6Very high0 Ų053.3 Ų53.30%028%0.275CS..Hα-helixtrans-61.7-40.5178.7174.90000110.5A16 E17 F23 L24 T32 V36 A67 L70 F71A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.44Å; A16-V20 PolarHBondContact O-N 2.78Å; E17-V20 PolarHBondContact O-N 3.16Å; V20-F23 PolarHBondContact O-N 3.36Å; V20-L24 WeakPolarHBondContact O-CA 3.25Å; V20-L24 VanDerWaalsContact O-CB 3.29Å; V20-L24 WeakPolarHBondContact O-CB 3.34Å; V20-L24 PolarHBondContact O-N 2.87Å; V20-T32 HydrophobicContact CB-CG2 3.83Å; V20-T32 HydrophobicContact CG1-CG2 3.7Å; V20-V36 HydrophobicContact CB-CG2 4.25Å; V20-V36 HydrophobicContact CG2-CG2 4.01Å; V20-A67 HydrophobicContact CG1-CB 3.98Å; V20-L70 HydrophobicContact CG2-CB 3.99Å; V20-F71 HydrophobicContact CG2-CB 4.14Å
21K95.2Very high93.8Very high61 Ų6151 Ų5127%0.26527%0.268SS..Hα-helixtrans-66.8-39.5-179.6178.754.9-172.8157.20112.6E17 D18 Y19 L24 P25 L27 T32E17-K21 VanDerWaalsContact O-CB 3.3Å; E17-K21 WeakPolarHBondContact O-CB 3.43Å; E17-K21 PolarHBondContact O-N 2.91Å; D18-K21 PolarHBondContact O-N 3.46Å; Y19-K21 VanDerWaalsContact C-N 3.29Å; Y19-K21 PolarHBondContact O-N 2.75Å; K21-L24 CarbonylContact O-C 3Å; K21-P25 PolarHBondContact NZ-O 2.83Å; K21-P25 WeakPolarHBondContact O-CA 3.33Å; K21-L27 PolarHBondContact NZ-O 3.07Å; K21-T32 HydrophobicContact CB-CG2 4.03Å
22E93.6Very high93.9Very high94 Ų9448 Ų4844%0.43926%0.256SS..Hα-helixtrans-63.8-45.4177.6-179.7176.4-170.900111.7D18 Y19 K106D18-E22 VanDerWaalsContact O-CB 3.3Å; D18-E22 WeakPolarHBondContact O-CB 3.49Å; D18-E22 PolarHBondContact O-N 2.91Å; Y19-E22 PolarHBondContact O-N 3.23Å; E22-K106 IonicContact OE1-NZ 2.7Å; E22-K106 PolarHBondContact OE1-NZ 3.02Å; E22-K106 WeakPolarHBondContact OE2-CE 3.38Å; E22-K106 IonicContact OE2-NZ 3.23Å; E22-K106 PolarHBondContact OE2-NZ 3.4Å
23F93Very high94Very high100 Ų10053.6 Ų53.644%0.43928%0.275SS..Hα-helixtrans-89.3-13.3-176.9-69.7-75.5000114.2Y19 V20 L70Y19-F23 AromaticContact CD1-CD2 3.84Å; Y19-F23 HydrophobicContact CD1-CD2 3.84Å; Y19-F23 HydrophobicContact CD1-CE2 4.31Å; Y19-F23 HydrophobicContact CD2-CD2 4.16Å; Y19-F23 AromaticContact CD2-CE2 3.85Å; Y19-F23 HydrophobicContact CD2-CE2 3.85Å; Y19-F23 AromaticContact CE1-CD2 3.63Å; Y19-F23 HydrophobicContact CE1-CD2 3.63Å; Y19-F23 AromaticContact CE1-CE2 3.94Å; Y19-F23 HydrophobicContact CE1-CE2 3.94Å; Y19-F23 AromaticContact CE2-CD2 3.96Å; Y19-F23 HydrophobicContact CE2-CD2 3.96Å; Y19-F23 AromaticContact CE2-CE2 3.43Å; Y19-F23 HydrophobicContact CE2-CE2 3.43Å; Y19-F23 VanDerWaalsContact CE2-CE2 3.43Å; Y19-F23 HydrophobicContact CE2-CZ 4.36Å; Y19-F23 HydrophobicContact CG-CD2 4.1Å; Y19-F23 HydrophobicContact CG-CE2 4.27Å; Y19-F23 AromaticContact CZ-CD2 3.68Å; Y19-F23 AromaticContact CZ-CE2 3.47Å; Y19-F23 VanDerWaalsContact CZ-CE2 3.47Å; Y19-F23 VanDerWaalsContact O-CD2 3.27Å; Y19-F23 WeakPolarHBondContact O-CD2 3.22Å; Y19-F23 PolarHBondContact O-N 3.32Å; Y19-F23 VanDerWaalsContact O-N 3.12Å; V20-F23 PolarHBondContact O-N 3.36Å; F23-L70 HydrophobicContact CB-CD1 3.84Å; F23-L70 HydrophobicContact CB-CD2 3.66Å; F23-L70 HydrophobicContact CB-CG 4.39Å; F23-L70 HydrophobicContact CG-CD2 4.32Å
24L93.9Very high94.1Very high12 Ų1253.2 Ų53.26%0.06327%0.27CS..  trans-129.668.7173.3-168.357.3000111V20 K21 S26 L27 Q66 A67 L70V20-L24 WeakPolarHBondContact O-CA 3.25Å; V20-L24 VanDerWaalsContact O-CB 3.29Å; V20-L24 WeakPolarHBondContact O-CB 3.34Å; V20-L24 PolarHBondContact O-N 2.87Å; K21-L24 CarbonylContact O-C 3Å; L24-S26 PolarHBondContact O-N 2.79Å; L24-L27 HydrophobicContact CD2-CD1 3.53Å; L24-L27 HydrophobicContact CD2-CG 4.04Å; L24-L27 HydrophobicContact CG-CD1 4.11Å; L24-L27 HydrophobicContact CG-CG 4.18Å; L24-L27 PolarHBondContact O-N 2.97Å; L24-Q66 HydrophobicContact CD2-CB 4.09Å; L24-A67 HydrophobicContact CD2-CB 3.99Å; L24-L70 HydrophobicContact CB-CD1 3.73Å
25P92.5Very high94.2Very high93 Ų9352.5 Ų52.560%0.60427%0.267SS*.THydrogen-bonded Turntrans-65.1-16.2-173.826-35.2000113.5K21 L27K21-P25 PolarHBondContact NZ-O 2.83Å; K21-P25 WeakPolarHBondContact O-CA 3.33Å; P25-L27 PolarHBondContact O-N 2.92Å
26S92.7Very high94.2Very high62 Ų6250.7 Ų50.743%0.43426%0.255SS..THydrogen-bonded Turntrans-72.2-7.3179.978.80000115.1L24 K63L24-S26 PolarHBondContact O-N 2.79Å; S26-K63 PolarHBondContact O-NZ 3.08Å; S26-K63 WeakPolarHBondContact OG-CE 3.42Å; S26-K63 PolarHBondContact OG-NZ 3.09Å; S26-K63 VanDerWaalsContact OG-NZ 3.16Å
27L92.9Very high94.2Very high3 Ų352 Ų522%0.01627%0.266CS..SBendtrans-95.6141.9167.9-69.3175.3000109.3K21 L24 P25 Q31 T32 I35 A59 K63 A67K21-L27 PolarHBondContact NZ-O 3.07Å; L24-L27 HydrophobicContact CD2-CD1 3.53Å; L24-L27 HydrophobicContact CD2-CG 4.04Å; L24-L27 HydrophobicContact CG-CD1 4.11Å; L24-L27 HydrophobicContact CG-CG 4.18Å; L24-L27 PolarHBondContact O-N 2.97Å; P25-L27 PolarHBondContact O-N 2.92Å; L27-Q31 HydrophobicContact CB-CB 4.39Å; L27-Q31 HydrophobicContact CD2-CB 4.43Å; L27-T32 WeakPolarHBondContact CB-OG1 3.32Å; L27-I35 HydrophobicContact CD1-CD1 3.9Å; L27-I35 HydrophobicContact CD2-CD1 4.22Å; L27-A59 HydrophobicContact CD2-CB 3.97Å; L27-K63 HydrophobicContact CD2-CB 4.36Å; L27-K63 HydrophobicContact CD2-CD 3.97Å; L27-K63 HydrophobicContact CG-CD 4.48Å; L27-A67 HydrophobicContact CD1-CB 4.17Å
28S93.1Very high94.2Very high55 Ų5550.9 Ų50.939%0.38526%0.261SS..  trans-66.5162.6171.380.50000111N30 Q31 T32S28-N30 VanDerWaalsContact C-N 3.33Å; S28-N30 PolarHBondContact O-N 3.29Å; S28-Q31 PolarHBondContact O-N 2.95Å; S28-Q31 WeakPolarHBondContact OG-CB 3.24Å; S28-Q31 VanDerWaalsContact OG-CG 3.26Å; S28-Q31 WeakPolarHBondContact OG-CG 3.35Å; S28-Q31 PolarHBondContact OG-N 3.36Å; S28-Q31 VanDerWaalsContact OG-N 3.14Å; S28-Q31 PolarHBondContact OG-OE1 2.72Å; S28-T32 PolarHBondContact O-N 3.15Å; S28-T32 PolarHBondContact O-OG1 2.87Å
29Y92.7Very high94.3Very high126 Ų12648 Ų4849%0.49425%0.245SC..Hα-helixtrans-58.7-46.8177.2-174.2-93.1000111.4Q31 T32 R33Y29-Q31 PolarHBondContact O-N 3.39Å; Y29-T32 PolarHBondContact O-N 3.31Å; Y29-R33 WeakPolarHBondContact O-CB 3.42Å; Y29-R33 PolarHBondContact O-N 3.08Å
30N93.1Very high94.2Very high109 Ų10949.9 Ų49.958%0.58326%0.256SS*.Hα-helixtrans-61.9-41.7177.5-69.9-14.6000112.3S28 N34S28-N30 VanDerWaalsContact C-N 3.33Å; S28-N30 PolarHBondContact O-N 3.29Å; N30-N34 WeakPolarHBondContact O-CB 3.49Å; N30-N34 PolarHBondContact O-N 3.21Å; N30-N34 PolarHBondContact O-ND2 3.27Å
31Q93.7Very high94Very high40 Ų4056.2 Ų56.219%0.18729%0.285CS..Hα-helixtrans-60.7-47.7175-75176.3-47.900111L27 S28 Y29 N34 I35 I56 G57L27-Q31 HydrophobicContact CB-CB 4.39Å; L27-Q31 HydrophobicContact CD2-CB 4.43Å; S28-Q31 PolarHBondContact O-N 2.95Å; S28-Q31 WeakPolarHBondContact OG-CB 3.24Å; S28-Q31 VanDerWaalsContact OG-CG 3.26Å; S28-Q31 WeakPolarHBondContact OG-CG 3.35Å; S28-Q31 PolarHBondContact OG-N 3.36Å; S28-Q31 VanDerWaalsContact OG-N 3.14Å; S28-Q31 PolarHBondContact OG-OE1 2.72Å; Y29-Q31 PolarHBondContact O-N 3.39Å; Q31-N34 PolarHBondContact O-N 2.98Å; Q31-I35 HydrophobicContact CB-CD1 4.39Å; Q31-I35 VanDerWaalsContact O-CB 3.3Å; Q31-I35 WeakPolarHBondContact O-CB 3.42Å; Q31-I35 WeakPolarHBondContact O-CD1 3.45Å; Q31-I35 WeakPolarHBondContact O-CG1 3.43Å; Q31-I35 PolarHBondContact O-N 3.08Å; Q31-I56 WeakPolarHBondContact CG-O 3.26Å; Q31-I56 PolarHBondContact NE2-O 3.4Å; Q31-I56 VanDerWaalsContact NE2-O 3.15Å; Q31-G57 PolarHBondContact NE2-O 3.36Å; Q31-G57 VanDerWaalsContact NE2-O 3.08Å
32T95.4Very high93.9Very high1 Ų160.2 Ų60.21%0.00631%0.31CS..Hα-helixtrans-60.7-49.7-177.9-54.50000111.3V20 K21 L27 S28 Y29 N34 I35 V36V20-T32 HydrophobicContact CB-CG2 3.83Å; V20-T32 HydrophobicContact CG1-CG2 3.7Å; K21-T32 HydrophobicContact CB-CG2 4.03Å; L27-T32 WeakPolarHBondContact CB-OG1 3.32Å; S28-T32 PolarHBondContact O-N 3.15Å; S28-T32 PolarHBondContact O-OG1 2.87Å; Y29-T32 PolarHBondContact O-N 3.31Å; T32-N34 PolarHBondContact O-N 3.4Å; T32-I35 PolarHBondContact O-N 3.08Å; T32-V36 HydrophobicContact CG2-CG2 4.34Å; T32-V36 WeakPolarHBondContact O-CB 3.44Å; T32-V36 WeakPolarHBondContact O-CG2 3.32Å; T32-V36 PolarHBondContact O-N 3.48Å
33R95.3Very high93.9Very high128 Ų12856.9 Ų56.948%0.48330%0.297SS..Hα-helixtrans-56-49.7177.2177.1170.7-177.1-145.3-1.7112E17 Y29 I35 V36 A37E17-R33 WeakPolarHBondContact OE2-CG 3.37Å; Y29-R33 WeakPolarHBondContact O-CB 3.42Å; Y29-R33 PolarHBondContact O-N 3.08Å; R33-I35 PolarHBondContact O-N 3Å; R33-V36 PolarHBondContact O-N 2.77Å; R33-A37 WeakPolarHBondContact O-CB 3.26Å; R33-A37 PolarHBondContact O-N 3.29Å
34N94.8Very high93.9Very high64 Ų6455.3 Ų55.334%0.34230%0.298SS..Hα-helixtrans-64.2-41.6-179.8-68.6-11.9000112N30 Q31 T32 L38 H55N30-N34 WeakPolarHBondContact O-CB 3.49Å; N30-N34 PolarHBondContact O-N 3.21Å; N30-N34 PolarHBondContact O-ND2 3.27Å; Q31-N34 PolarHBondContact O-N 2.98Å; T32-N34 PolarHBondContact O-N 3.4Å; N34-L38 VanDerWaalsContact O-CG 3.28Å; N34-L38 WeakPolarHBondContact O-CG 3.43Å; N34-L38 PolarHBondContact O-N 3.37Å; N34-L38 VanDerWaalsContact O-N 3.1Å; N34-H55 WeakPolarHBondContact CB-O 3.31Å; N34-H55 PolarHBondContact ND2-O 3.49Å
35I95.5Very high93.8Very high0 Ų056.5 Ų56.50%030%0.304CS..Hα-helixtrans-63.1-47.9178.3-72.4164.4000110.6L27 Q31 T32 R33 L38 F39 I56 A59 L64 A67L27-I35 HydrophobicContact CD1-CD1 3.9Å; L27-I35 HydrophobicContact CD2-CD1 4.22Å; Q31-I35 HydrophobicContact CB-CD1 4.39Å; Q31-I35 VanDerWaalsContact O-CB 3.3Å; Q31-I35 WeakPolarHBondContact O-CB 3.42Å; Q31-I35 WeakPolarHBondContact O-CD1 3.45Å; Q31-I35 WeakPolarHBondContact O-CG1 3.43Å; Q31-I35 PolarHBondContact O-N 3.08Å; T32-I35 PolarHBondContact O-N 3.08Å; R33-I35 PolarHBondContact O-N 3Å; I35-L38 PolarHBondContact O-N 3.13Å; I35-F39 HydrophobicContact CG2-CD2 3.91Å; I35-F39 HydrophobicContact CG2-CE1 4.3Å; I35-F39 HydrophobicContact CG2-CE2 3.21Å; I35-F39 HydrophobicContact CG2-CZ 3.44Å; I35-F39 VanDerWaalsContact CG2-CZ 3.44Å; I35-F39 WeakPolarHBondContact O-CD2 3.49Å; I35-F39 WeakPolarHBondContact O-CG 3.39Å; I35-F39 PolarHBondContact O-N 3.08Å; I35-I56 HydrophobicContact CD1-CB 4.24Å; I35-I56 HydrophobicContact CD1-CG2 4.42Å; I35-I56 HydrophobicContact CG1-CB 3.9Å; I35-I56 HydrophobicContact CG1-CG2 3.56Å; I35-A59 HydrophobicContact CD1-CB 4.36Å; I35-L64 HydrophobicContact CD1-CD2 3.77Å; I35-L64 HydrophobicContact CG1-CD2 3.84Å; I35-L64 HydrophobicContact CG2-CD2 4.23Å; I35-A67 HydrophobicContact CG2-CB 4.06Å
36V95.5Very high93.7Very high2 Ų256.7 Ų56.71%0.01231%0.305CS..Hα-helixtrans-63.9-42.8179.41700000111.3A16 E17 V20 T32 R33 L38 F39 D40 F71A16-V36 HydrophobicContact CB-CG1 4.07Å; E17-V36 HydrophobicContact CG-CB 3.91Å; E17-V36 HydrophobicContact CG-CG1 3.73Å; E17-V36 HydrophobicContact CG-CG2 4.35Å; V20-V36 HydrophobicContact CB-CG2 4.25Å; V20-V36 HydrophobicContact CG2-CG2 4.01Å; T32-V36 HydrophobicContact CG2-CG2 4.34Å; T32-V36 WeakPolarHBondContact O-CB 3.44Å; T32-V36 WeakPolarHBondContact O-CG2 3.32Å; T32-V36 PolarHBondContact O-N 3.48Å; R33-V36 PolarHBondContact O-N 2.77Å; V36-L38 VanDerWaalsContact C-N 3.28Å; V36-L38 PolarHBondContact O-N 3.47Å; V36-F39 WeakPolarHBondContact O-CB 3.4Å; V36-F39 PolarHBondContact O-N 3.21Å; V36-D40 PolarHBondContact O-N 3.43Å; V36-F71 HydrophobicContact CG1-CD2 3.97Å; V36-F71 HydrophobicContact CG1-CE2 3.94Å; V36-F71 HydrophobicContact CG2-CD2 4.49Å
37A94.8Very high93.8Very high35 Ų3557.5 Ų57.529%0.28930%0.301SS..Hα-helixtrans-58.7-39.4175.400000112.4R33 D40 Q41R33-A37 WeakPolarHBondContact O-CB 3.26Å; R33-A37 PolarHBondContact O-N 3.29Å; A37-D40 PolarHBondContact O-N 3.32Å; A37-Q41 WeakPolarHBondContact O-CG 3.27Å; A37-Q41 PolarHBondContact O-N 3.47Å; A37-Q41 VanDerWaalsContact O-N 3.14Å
38L95.4Very high93.9Very high13 Ų1357.4 Ų57.47%0.06830%0.301CS..Hα-helixtrans-66.6-38174.8-70.1167.5000112N34 I35 V36 Q41 C43 I48 K52 I56N34-L38 VanDerWaalsContact O-CG 3.28Å; N34-L38 WeakPolarHBondContact O-CG 3.43Å; N34-L38 PolarHBondContact O-N 3.37Å; N34-L38 VanDerWaalsContact O-N 3.1Å; I35-L38 PolarHBondContact O-N 3.13Å; V36-L38 VanDerWaalsContact C-N 3.28Å; V36-L38 PolarHBondContact O-N 3.47Å; L38-Q41 PolarHBondContact O-N 3.4Å; L38-C43 HydrophobicContact CB-CB 4.31Å; L38-C43 VanDerWaalsContact O-CB 3.23Å; L38-C43 WeakPolarHBondContact O-CB 3.27Å; L38-C43 PolarHBondContact O-N 3.41Å; L38-I48 HydrophobicContact CB-CD1 3.78Å; L38-I48 HydrophobicContact CB-CG1 4.12Å; L38-I48 HydrophobicContact CD1-CG1 4.24Å; L38-I48 HydrophobicContact CD1-CG2 4.01Å; L38-K52 HydrophobicContact CD1-CB 3.97Å; L38-K52 HydrophobicContact CD1-CG 4.24Å; L38-K52 HydrophobicContact CD2-CD 4.39Å; L38-K52 HydrophobicContact CD2-CG 4.18Å; L38-I56 HydrophobicContact CD1-CG2 3.95Å
39F95Very high93.9Very high3 Ų356.1 Ų56.11%0.01329%0.294CS..Hα-helixtrans-67.5-36.6175.4-62.5-32.4000112.8I35 V36 Q41 N42 I48 A67 Y68 F71I35-F39 HydrophobicContact CG2-CD2 3.91Å; I35-F39 HydrophobicContact CG2-CE1 4.3Å; I35-F39 HydrophobicContact CG2-CE2 3.21Å; I35-F39 HydrophobicContact CG2-CZ 3.44Å; I35-F39 VanDerWaalsContact CG2-CZ 3.44Å; I35-F39 WeakPolarHBondContact O-CD2 3.49Å; I35-F39 WeakPolarHBondContact O-CG 3.39Å; I35-F39 PolarHBondContact O-N 3.08Å; V36-F39 WeakPolarHBondContact O-CB 3.4Å; V36-F39 PolarHBondContact O-N 3.21Å; F39-Q41 VanDerWaalsContact C-N 3.26Å; F39-Q41 PolarHBondContact O-N 3.05Å; F39-N42 WeakPolarHBondContact O-CA 3.39Å; F39-N42 PolarHBondContact O-N 2.97Å; F39-I48 HydrophobicContact CD1-CD1 3.56Å; F39-I48 HydrophobicContact CE1-CD1 3.49Å; F39-I48 VanDerWaalsContact CE1-CD1 3.49Å; F39-A67 HydrophobicContact CE2-CB 4.1Å; F39-Y68 HydrophobicContact CB-CD2 4.47Å; F39-Y68 AromaticContact CD1-CD2 3.66Å; F39-Y68 HydrophobicContact CD1-CD2 3.66Å; F39-Y68 HydrophobicContact CD1-CE2 4.23Å; F39-Y68 HydrophobicContact CD2-CD2 4.04Å; F39-Y68 AromaticContact CE1-CD2 3.75Å; F39-Y68 HydrophobicContact CE1-CD2 3.75Å; F39-Y68 HydrophobicContact CE1-CG 4.29Å; F39-Y68 HydrophobicContact CE2-CD2 4.1Å; F39-Y68 AromaticContact CG-CD2 3.82Å; F39-Y68 HydrophobicContact CG-CD2 3.82Å; F39-Y68 HydrophobicContact CG-CE2 4.42Å; F39-Y68 AromaticContact CZ-CD2 3.98Å; F39-Y68 HydrophobicContact CZ-CD2 3.98Å; F39-Y68 HydrophobicContact CZ-CG 4.25Å; F39-F71 HydrophobicContact CB-CD1 3.88Å; F39-F71 HydrophobicContact CB-CD2 4.42Å; F39-F71 HydrophobicContact CB-CE1 3.58Å; F39-F71 HydrophobicContact CB-CE2 4.16Å; F39-F71 HydrophobicContact CB-CG 4.25Å; F39-F71 HydrophobicContact CB-CZ 3.68Å; F39-F71 HydrophobicContact CD2-CB 4.1Å; F39-F71 HydrophobicContact CD2-CD1 4.21Å; F39-F71 HydrophobicContact CD2-CG 4.05Å; F39-F71 HydrophobicContact CG-CD1 4.37Å
40D93.3Very high93.8Very high47 Ų4759 Ų5925%0.25130%0.303SS..Hα-helixtrans-66.4-29.7174-85.9-31.6000112.7V36 A37 N42 F71 K75V36-D40 PolarHBondContact O-N 3.43Å; A37-D40 PolarHBondContact O-N 3.32Å; D40-N42 PolarHBondContact O-N 2.92Å; D40-F71 WeakPolarHBondContact OD1-CE2 3.47Å; D40-F71 WeakPolarHBondContact OD1-CZ 3.47Å; D40-K75 VanDerWaalsContact OD1-CE 3.29Å; D40-K75 WeakPolarHBondContact OD1-CE 3.45Å; D40-K75 IonicContact OD1-NZ 3.67Å; D40-K75 PolarHBondContact OD1-NZ 3.24Å
41Q93.4Very high93.9Very high132 Ų13260.4 Ų60.462%0.61730%0.302SS*.THydrogen-bonded Turntrans-75.17.1169.5-66.8170.914.500113.3A37 L38 F39 C43A37-Q41 WeakPolarHBondContact O-CG 3.27Å; A37-Q41 PolarHBondContact O-N 3.47Å; A37-Q41 VanDerWaalsContact O-N 3.14Å; L38-Q41 PolarHBondContact O-N 3.4Å; F39-Q41 VanDerWaalsContact C-N 3.26Å; F39-Q41 PolarHBondContact O-N 3.05Å; Q41-C43 PolarHBondContact O-N 3.15Å
42N93.3Very high93.8Very high145 Ų14561.5 Ų61.578%0.77531%0.306SS*.THydrogen-bonded Turntrans56.226.8-175.6-59.5-58.8000113.9F39 D40 S44F39-N42 WeakPolarHBondContact O-CA 3.39Å; F39-N42 PolarHBondContact O-N 2.97Å; D40-N42 PolarHBondContact O-N 2.92Å; N42-S44 PolarHBondContact O-N 3.17Å
43C93.3Very high93.5Very high25 Ų2564 Ų6417%0.16932%0.321CS..  trans-65.2133.8173-68.80000110L38 Q41 F47 I48L38-C43 HydrophobicContact CB-CB 4.31Å; L38-C43 VanDerWaalsContact O-CB 3.23Å; L38-C43 WeakPolarHBondContact O-CB 3.27Å; L38-C43 PolarHBondContact O-N 3.41Å; Q41-C43 PolarHBondContact O-N 3.15Å; C43-F47 HydrophobicContact CB-CD1 4.1Å; C43-I48 HydrophobicContact CB-CD1 3.77Å; C43-I48 HydrophobicContact CB-CG1 3.68Å
44S91.9Very high93.2Very high66 Ų6664.2 Ų64.246%0.46233%0.332SS..  trans-73.6149.1179.3760000111.6N42 F47 I48N42-S44 PolarHBondContact O-N 3.17Å; S44-F47 WeakPolarHBondContact O-CB 3.21Å; S44-F47 PolarHBondContact O-N 2.8Å; S44-F47 VanDerWaalsContact O-N 3.08Å; S44-F47 VanDerWaalsContact OG-CB 3.24Å; S44-F47 WeakPolarHBondContact OG-CB 3.01Å; S44-F47 PolarHBondContact OG-N 3.08Å; S44-I48 WeakPolarHBondContact O-CG1 3.49Å; S44-I48 PolarHBondContact O-N 3.37Å
45L92Very high92.8Very high38 Ų3866.2 Ų66.220%0.19934%0.339CS..Hα-helixtrans-51.7-48.9176-103.2155.2000113F47 I48 A49 L64 Y68L45-F47 VanDerWaalsContact C-N 3.32Å; L45-F47 PolarHBondContact O-N 3.21Å; L45-I48 PolarHBondContact O-N 3.44Å; L45-A49 VanDerWaalsContact O-CB 3.31Å; L45-A49 WeakPolarHBondContact O-CB 3.41Å; L45-A49 PolarHBondContact O-N 3.24Å; L45-L64 HydrophobicContact CD2-CB 3.52Å; L45-Y68 HydrophobicContact CD1-CD1 3.56Å; L45-Y68 HydrophobicContact CD1-CE1 4.21Å; L45-Y68 HydrophobicContact CD1-CG 3.81Å; L45-Y68 HydrophobicContact CG-CG 4.49Å
46P91.7Very high92.4Very high97 Ų9766.3 Ų66.363%0.6334%0.339SS*.Hα-helixtrans-62.1-37.9176.4-24.335000113.2R50P46-R50 VanDerWaalsContact O-CB 3.25Å; P46-R50 WeakPolarHBondContact O-CB 3.45Å; P46-R50 PolarHBondContact O-N 3.15Å
47F94.4Very high92.1Very high79 Ų7968.1 Ų68.135%0.34636%0.358SS..Hα-helixtrans-64.7-46.2177.4175.1-95.1000111.3C43 S44 L45 R50 Y51 K52C43-F47 HydrophobicContact CB-CD1 4.1Å; S44-F47 WeakPolarHBondContact O-CB 3.21Å; S44-F47 PolarHBondContact O-N 2.8Å; S44-F47 VanDerWaalsContact O-N 3.08Å; S44-F47 VanDerWaalsContact OG-CB 3.24Å; S44-F47 WeakPolarHBondContact OG-CB 3.01Å; S44-F47 PolarHBondContact OG-N 3.08Å; L45-F47 VanDerWaalsContact C-N 3.32Å; L45-F47 PolarHBondContact O-N 3.21Å; F47-R50 PolarHBondContact O-N 2.83Å; F47-Y51 AromaticContact CD2-CD2 3.46Å; F47-Y51 HydrophobicContact CD2-CD2 3.46Å; F47-Y51 VanDerWaalsContact CD2-CD2 3.46Å; F47-Y51 HydrophobicContact CD2-CE2 4.13Å; F47-Y51 HydrophobicContact CD2-CG 4.26Å; F47-Y51 AromaticContact CE2-CD2 3.84Å; F47-Y51 HydrophobicContact CE2-CD2 3.84Å; F47-Y51 HydrophobicContact CE2-CG 4.22Å; F47-Y51 HydrophobicContact CG-CD2 4.15Å; F47-Y51 WeakPolarHBondContact O-CB 3.39Å; F47-Y51 WeakPolarHBondContact O-CD2 3.35Å; F47-Y51 PolarHBondContact O-N 3.27Å; F47-K52 HydrophobicContact CE1-CG 4.08Å
48I94.6Very high91.9Very high0 Ų071.9 Ų71.90%037%0.374CS..Hα-helixtrans-62.1-49.3178.1-65.8167000110.3L38 F39 C43 S44 L45 R50 K52 I56 L64L38-I48 HydrophobicContact CB-CD1 3.78Å; L38-I48 HydrophobicContact CB-CG1 4.12Å; L38-I48 HydrophobicContact CD1-CG1 4.24Å; L38-I48 HydrophobicContact CD1-CG2 4.01Å; F39-I48 HydrophobicContact CD1-CD1 3.56Å; F39-I48 HydrophobicContact CE1-CD1 3.49Å; F39-I48 VanDerWaalsContact CE1-CD1 3.49Å; C43-I48 HydrophobicContact CB-CD1 3.77Å; C43-I48 HydrophobicContact CB-CG1 3.68Å; S44-I48 WeakPolarHBondContact O-CG1 3.49Å; S44-I48 PolarHBondContact O-N 3.37Å; L45-I48 PolarHBondContact O-N 3.44Å; I48-R50 PolarHBondContact O-N 3.04Å; I48-K52 HydrophobicContact CG2-CB 4.32Å; I48-K52 CarbonylContact O-C 3.52Å; I48-K52 WeakPolarHBondContact O-CA 3.41Å; I48-K52 WeakPolarHBondContact O-CB 3.48Å; I48-K52 PolarHBondContact O-N 3.32Å; I48-I56 HydrophobicContact CG2-CD1 4.29Å; I48-I56 HydrophobicContact CG2-CG2 3.64Å; I48-L64 HydrophobicContact CG2-CD1 4.29Å; I48-L64 HydrophobicContact CG2-CD2 4.19Å
49A92.4Very high91.6Very high29 Ų2971.8 Ų71.824%0.2437%0.374CS..Hα-helixtrans-60.2-33.5-179.200000112.8L45 T53 V61 L64L45-A49 VanDerWaalsContact O-CB 3.31Å; L45-A49 WeakPolarHBondContact O-CB 3.41Å; L45-A49 PolarHBondContact O-N 3.24Å; A49-T53 WeakPolarHBondContact O-CG2 3.35Å; A49-V61 HydrophobicContact CB-CG2 4.04Å; A49-L64 HydrophobicContact CB-CD1 3.94Å
50R91.8Very high91.5Very high185 Ų18575.1 Ų75.170%0.69840%0.397SS*.Hα-helixtrans-92.9-39.4-176.3-169.7171-176.1174.92.3114P46 F47 I48P46-R50 VanDerWaalsContact O-CB 3.25Å; P46-R50 WeakPolarHBondContact O-CB 3.45Å; P46-R50 PolarHBondContact O-N 3.15Å; F47-R50 PolarHBondContact O-N 2.83Å; I48-R50 PolarHBondContact O-N 3.04Å
51Y93.8Very high91.3Very high140 Ų14076.8 Ų76.855%0.54941%0.408SS..Hα-helixtrans-116.4-7.8-167.5-57.2-73000114.2F47F47-Y51 AromaticContact CD2-CD2 3.46Å; F47-Y51 HydrophobicContact CD2-CD2 3.46Å; F47-Y51 VanDerWaalsContact CD2-CD2 3.46Å; F47-Y51 HydrophobicContact CD2-CE2 4.13Å; F47-Y51 HydrophobicContact CD2-CG 4.26Å; F47-Y51 AromaticContact CE2-CD2 3.84Å; F47-Y51 HydrophobicContact CE2-CD2 3.84Å; F47-Y51 HydrophobicContact CE2-CG 4.22Å; F47-Y51 HydrophobicContact CG-CD2 4.15Å; F47-Y51 WeakPolarHBondContact O-CB 3.39Å; F47-Y51 WeakPolarHBondContact O-CD2 3.35Å; F47-Y51 PolarHBondContact O-N 3.27Å
52K92.8Very high91Very high63 Ų6375.1 Ų75.127%0.27440%0.4SS..  trans-121.622179.6-60.2-66.2-175.4179.20112.7L38 F47 I48 N54 H55 I56L38-K52 HydrophobicContact CD1-CB 3.97Å; L38-K52 HydrophobicContact CD1-CG 4.24Å; L38-K52 HydrophobicContact CD2-CD 4.39Å; L38-K52 HydrophobicContact CD2-CG 4.18Å; F47-K52 HydrophobicContact CE1-CG 4.08Å; I48-K52 HydrophobicContact CG2-CB 4.32Å; I48-K52 CarbonylContact O-C 3.52Å; I48-K52 WeakPolarHBondContact O-CA 3.41Å; I48-K52 WeakPolarHBondContact O-CB 3.48Å; I48-K52 PolarHBondContact O-N 3.32Å; K52-N54 VanDerWaalsContact C-N 3.34Å; K52-N54 PolarHBondContact O-N 3.45Å; K52-H55 HydrophobicContact CB-CB 4.39Å; K52-H55 WeakPolarHBondContact O-CB 3.47Å; K52-H55 PolarHBondContact O-N 2.88Å; K52-I56 WeakPolarHBondContact O-CG1 3.38Å; K52-I56 PolarHBondContact O-N 2.62Å; K52-I56 VanDerWaalsContact O-N 3.09Å
53T88.1Confident90.9Very high53 Ų5371.1 Ų71.133%0.32538%0.376SS..THydrogen-bonded Turntrans-47.1-49.5-179.642.90000113.6A49 H55 I56 G57 N58A49-T53 WeakPolarHBondContact O-CG2 3.35Å; T53-H55 VanDerWaalsContact C-N 3.35Å; T53-H55 PolarHBondContact O-N 3.42Å; T53-I56 WeakPolarHBondContact O-CG1 3.4Å; T53-I56 PolarHBondContact O-N 2.81Å; T53-G57 PolarHBondContact O-N 2.74Å; T53-G57 VanDerWaalsContact O-N 3.13Å; T53-N58 WeakPolarHBondContact CB-OD1 3.43Å; T53-N58 PolarHBondContact O-N 3.35Å
54N88.7Confident90.9Very high132 Ų13269.9 Ų69.971%0.70637%0.368SS*.THydrogen-bonded Turntrans-64.3-38.5178.8-66.8-10.4000112.4K52 I56 G57K52-N54 VanDerWaalsContact C-N 3.34Å; K52-N54 PolarHBondContact O-N 3.45Å; N54-I56 VanDerWaalsContact C-N 3.31Å; N54-I56 PolarHBondContact O-N 3.23Å; N54-G57 PolarHBondContact O-N 3.4Å
55H86.2Confident90.9Very high107 Ų10772.7 Ų72.750%0.49537%0.368SS..THydrogen-bonded Turntrans-68.8-32.8-178.5-6961.6000111.8N34 K52 T53 G57N34-H55 WeakPolarHBondContact CB-O 3.31Å; N34-H55 PolarHBondContact ND2-O 3.49Å; K52-H55 HydrophobicContact CB-CB 4.39Å; K52-H55 WeakPolarHBondContact O-CB 3.47Å; K52-H55 PolarHBondContact O-N 2.88Å; T53-H55 VanDerWaalsContact C-N 3.35Å; T53-H55 PolarHBondContact O-N 3.42Å; H55-G57 VanDerWaalsContact C-N 3.33Å
56I88.8Confident90.9Very high2 Ų274.9 Ų74.91%0.0138%0.377CS..THydrogen-bonded Turntrans-89.84.1176.467.1170.8000112.9Q31 I35 L38 I48 K52 T53 N54 N58 A59 L64Q31-I56 WeakPolarHBondContact CG-O 3.26Å; Q31-I56 PolarHBondContact NE2-O 3.4Å; Q31-I56 VanDerWaalsContact NE2-O 3.15Å; I35-I56 HydrophobicContact CD1-CB 4.24Å; I35-I56 HydrophobicContact CD1-CG2 4.42Å; I35-I56 HydrophobicContact CG1-CB 3.9Å; I35-I56 HydrophobicContact CG1-CG2 3.56Å; L38-I56 HydrophobicContact CD1-CG2 3.95Å; I48-I56 HydrophobicContact CG2-CD1 4.29Å; I48-I56 HydrophobicContact CG2-CG2 3.64Å; K52-I56 WeakPolarHBondContact O-CG1 3.38Å; K52-I56 PolarHBondContact O-N 2.62Å; K52-I56 VanDerWaalsContact O-N 3.09Å; T53-I56 WeakPolarHBondContact O-CG1 3.4Å; T53-I56 PolarHBondContact O-N 2.81Å; N54-I56 VanDerWaalsContact C-N 3.31Å; N54-I56 PolarHBondContact O-N 3.23Å; I56-N58 PolarHBondContact O-N 3.35Å; I56-A59 HydrophobicContact CB-CB 4.48Å; I56-A59 HydrophobicContact CD1-CB 4.33Å; I56-A59 HydrophobicContact CG1-CB 4.48Å; I56-A59 WeakPolarHBondContact O-CB 3.3Å; I56-A59 PolarHBondContact O-N 2.99Å; I56-L64 HydrophobicContact CB-CD2 4.38Å; I56-L64 HydrophobicContact CD1-CD1 3.6Å; I56-L64 HydrophobicContact CD1-CD2 3.84Å; I56-L64 HydrophobicContact CD1-CG 4.12Å; I56-L64 HydrophobicContact CG2-CD2 4.26Å
57G88.9Confident91.1Very high39 Ų3970.2 Ų70.240%0.40235%0.347SS..THydrogen-bonded Turntrans58.442.5-177.400000113.4Q31 T53 N54 H55 A59Q31-G57 PolarHBondContact NE2-O 3.36Å; Q31-G57 VanDerWaalsContact NE2-O 3.08Å; T53-G57 PolarHBondContact O-N 2.74Å; T53-G57 VanDerWaalsContact O-N 3.13Å; N54-G57 PolarHBondContact O-N 3.4Å; H55-G57 VanDerWaalsContact C-N 3.33Å; G57-A59 PolarHBondContact O-N 2.9Å
58N89.4Confident91.1Very high115 Ų11569.7 Ų69.762%0.61534%0.344SS*.THydrogen-bonded Turntrans53.834.4-179.3-61.1-38.9000114.1T53 I56T53-N58 WeakPolarHBondContact CB-OD1 3.43Å; T53-N58 PolarHBondContact O-N 3.35Å; I56-N58 PolarHBondContact O-N 3.35Å
59A90.5Very high91.1Very high10 Ų1074.5 Ų74.58%0.08337%0.366CS..  trans-59.4132.7175.300000110.5L27 I35 I56 G57 L64L27-A59 HydrophobicContact CD2-CB 3.97Å; I35-A59 HydrophobicContact CD1-CB 4.36Å; I56-A59 HydrophobicContact CB-CB 4.48Å; I56-A59 HydrophobicContact CD1-CB 4.33Å; I56-A59 HydrophobicContact CG1-CB 4.48Å; I56-A59 WeakPolarHBondContact O-CB 3.3Å; I56-A59 PolarHBondContact O-N 2.99Å; G57-A59 PolarHBondContact O-N 2.9Å; A59-L64 HydrophobicContact CB-CD2 4.42Å
60P91.3Very high91.2Very high74 Ų7474.3 Ų74.348%0.48136%0.361SS..  trans-62.8148.5178.624.6-33.4000111.1E62 K63 L64P60-E62 PolarHBondContact O-N 3.22Å; P60-E62 VanDerWaalsContact O-N 3.12Å; P60-K63 HydrophobicContact CG-CB 4.11Å; P60-K63 HydrophobicContact CG-CD 3.91Å; P60-K63 HydrophobicContact CG-CG 3.85Å; P60-K63 WeakPolarHBondContact O-CB 3.39Å; P60-K63 PolarHBondContact O-N 3.44Å; P60-L64 PolarHBondContact O-N 3.34Å; P60-L64 VanDerWaalsContact O-N 3.12Å
61V90Very high91.4Very high81 Ų8166 Ų6649%0.49133%0.329SS..Hα-helixtrans-54.3-36.9-176.2-179.90000112.3A49 K63 L64 R65A49-V61 HydrophobicContact CB-CG2 4.04Å; V61-K63 VanDerWaalsContact C-N 3.34Å; V61-K63 PolarHBondContact O-N 3Å; V61-L64 WeakPolarHBondContact O-CB 3.36Å; V61-L64 PolarHBondContact O-N 2.96Å; V61-R65 PolarHBondContact O-N 3.26Å
62E87.7Confident91.4Very high98 Ų9863.6 Ų63.646%0.45832%0.322SS..Hα-helixtrans-63.8-38.8178.7-167.950.4-140.800112.1P60 R65 Q66P60-E62 PolarHBondContact O-N 3.22Å; P60-E62 VanDerWaalsContact O-N 3.12Å; E62-R65 PolarHBondContact O-N 3.13Å; E62-R65 IonicContact OE2-NH1 3.04Å; E62-R65 PolarHBondContact OE2-NH1 3.04Å; E62-Q66 WeakPolarHBondContact O-CG 3.45Å; E62-Q66 PolarHBondContact O-N 3.08Å
63K91.2Very high91.5Very high60 Ų6063.2 Ų63.226%0.26132%0.321SS..Hα-helixtrans-68.8-38.1172.8-75-170.1-175.7-175.80112S26 L27 P60 V61 R65 Q66 A67S26-K63 PolarHBondContact O-NZ 3.08Å; S26-K63 WeakPolarHBondContact OG-CE 3.42Å; S26-K63 PolarHBondContact OG-NZ 3.09Å; S26-K63 VanDerWaalsContact OG-NZ 3.16Å; L27-K63 HydrophobicContact CD2-CB 4.36Å; L27-K63 HydrophobicContact CD2-CD 3.97Å; L27-K63 HydrophobicContact CG-CD 4.48Å; P60-K63 HydrophobicContact CG-CB 4.11Å; P60-K63 HydrophobicContact CG-CD 3.91Å; P60-K63 HydrophobicContact CG-CG 3.85Å; P60-K63 WeakPolarHBondContact O-CB 3.39Å; P60-K63 PolarHBondContact O-N 3.44Å; V61-K63 VanDerWaalsContact C-N 3.34Å; V61-K63 PolarHBondContact O-N 3Å; K63-R65 VanDerWaalsContact C-N 3.29Å; K63-R65 PolarHBondContact O-N 3.36Å; K63-Q66 PolarHBondContact O-N 3.48Å; K63-A67 WeakPolarHBondContact O-CB 3.34Å; K63-A67 PolarHBondContact O-N 2.87Å
64L93.6Very high91.8Very high0 Ų060.7 Ų60.70%031%0.306CS..Hα-helixtrans-60.6-42.1174.6-69.2172.6000111.1I35 L45 I48 A49 I56 A59 P60 V61 A67 Y68I35-L64 HydrophobicContact CD1-CD2 3.77Å; I35-L64 HydrophobicContact CG1-CD2 3.84Å; I35-L64 HydrophobicContact CG2-CD2 4.23Å; L45-L64 HydrophobicContact CD2-CB 3.52Å; I48-L64 HydrophobicContact CG2-CD1 4.29Å; I48-L64 HydrophobicContact CG2-CD2 4.19Å; A49-L64 HydrophobicContact CB-CD1 3.94Å; I56-L64 HydrophobicContact CB-CD2 4.38Å; I56-L64 HydrophobicContact CD1-CD1 3.6Å; I56-L64 HydrophobicContact CD1-CD2 3.84Å; I56-L64 HydrophobicContact CD1-CG 4.12Å; I56-L64 HydrophobicContact CG2-CD2 4.26Å; A59-L64 HydrophobicContact CB-CD2 4.42Å; P60-L64 PolarHBondContact O-N 3.34Å; P60-L64 VanDerWaalsContact O-N 3.12Å; V61-L64 WeakPolarHBondContact O-CB 3.36Å; V61-L64 PolarHBondContact O-N 2.96Å; L64-A67 PolarHBondContact O-N 2.66Å; L64-Y68 WeakPolarHBondContact O-CB 3.44Å; L64-Y68 PolarHBondContact O-N 2.88Å
65R91.7Very high92.1Very high125 Ų12557.6 Ų57.647%0.47229%0.286SS..Hα-helixtrans-62.8-46.6176.7-175.6-177.7-72.6151.2-10.3111.3V61 E62 K63 A67 Y68 E69V61-R65 PolarHBondContact O-N 3.26Å; E62-R65 PolarHBondContact O-N 3.13Å; E62-R65 IonicContact OE2-NH1 3.04Å; E62-R65 PolarHBondContact OE2-NH1 3.04Å; K63-R65 VanDerWaalsContact C-N 3.29Å; K63-R65 PolarHBondContact O-N 3.36Å; R65-A67 PolarHBondContact O-N 2.93Å; R65-Y68 WeakPolarHBondContact O-CB 3.41Å; R65-Y68 PolarHBondContact O-N 3.3Å; R65-E69 PolarHBondContact O-N 3.19Å
66Q92.4Very high92.5Very high83 Ų8354.5 Ų54.539%0.38828%0.276SS..Hα-helixtrans-59.6-45.4175.4-70.5170.829.600112L24 E62 K63 Y68 E69 L70L24-Q66 HydrophobicContact CD2-CB 4.09Å; E62-Q66 WeakPolarHBondContact O-CG 3.45Å; E62-Q66 PolarHBondContact O-N 3.08Å; K63-Q66 PolarHBondContact O-N 3.48Å; Q66-Y68 VanDerWaalsContact C-N 3.29Å; Q66-Y68 PolarHBondContact O-N 3.28Å; Q66-E69 PolarHBondContact O-N 3.2Å; Q66-L70 WeakPolarHBondContact O-CG 3.43Å; Q66-L70 PolarHBondContact O-N 3.36Å
67A95.3Very high92.8Very high0 Ų054.4 Ų54.40%028%0.276CS..Hα-helixtrans-60.4-39.9176.300000111.9V20 L24 L27 I35 F39 K63 L64 R65 L70 F71V20-A67 HydrophobicContact CG1-CB 3.98Å; L24-A67 HydrophobicContact CD2-CB 3.99Å; L27-A67 HydrophobicContact CD1-CB 4.17Å; I35-A67 HydrophobicContact CG2-CB 4.06Å; F39-A67 HydrophobicContact CE2-CB 4.1Å; K63-A67 WeakPolarHBondContact O-CB 3.34Å; K63-A67 PolarHBondContact O-N 2.87Å; L64-A67 PolarHBondContact O-N 2.66Å; R65-A67 PolarHBondContact O-N 2.93Å; A67-L70 PolarHBondContact O-N 3.45Å; A67-F71 VanDerWaalsContact O-CB 3.26Å; A67-F71 WeakPolarHBondContact O-CB 3.48Å; A67-F71 PolarHBondContact O-N 2.94Å
68Y95Very high93.1Very high68 Ų6853.1 Ų53.127%0.26726%0.26SS..Hα-helixtrans-66.1-41.1178.3-173.8-119.3000112.7F39 L45 L64 R65 Q66 F71 K72F39-Y68 HydrophobicContact CB-CD2 4.47Å; F39-Y68 AromaticContact CD1-CD2 3.66Å; F39-Y68 HydrophobicContact CD1-CD2 3.66Å; F39-Y68 HydrophobicContact CD1-CE2 4.23Å; F39-Y68 HydrophobicContact CD2-CD2 4.04Å; F39-Y68 AromaticContact CE1-CD2 3.75Å; F39-Y68 HydrophobicContact CE1-CD2 3.75Å; F39-Y68 HydrophobicContact CE1-CG 4.29Å; F39-Y68 HydrophobicContact CE2-CD2 4.1Å; F39-Y68 AromaticContact CG-CD2 3.82Å; F39-Y68 HydrophobicContact CG-CD2 3.82Å; F39-Y68 HydrophobicContact CG-CE2 4.42Å; F39-Y68 AromaticContact CZ-CD2 3.98Å; F39-Y68 HydrophobicContact CZ-CD2 3.98Å; F39-Y68 HydrophobicContact CZ-CG 4.25Å; L45-Y68 HydrophobicContact CD1-CD1 3.56Å; L45-Y68 HydrophobicContact CD1-CE1 4.21Å; L45-Y68 HydrophobicContact CD1-CG 3.81Å; L45-Y68 HydrophobicContact CG-CG 4.49Å; L64-Y68 WeakPolarHBondContact O-CB 3.44Å; L64-Y68 PolarHBondContact O-N 2.88Å; R65-Y68 WeakPolarHBondContact O-CB 3.41Å; R65-Y68 PolarHBondContact O-N 3.3Å; Q66-Y68 VanDerWaalsContact C-N 3.29Å; Q66-Y68 PolarHBondContact O-N 3.28Å; Y68-F71 HydrophobicContact CD2-CD1 4.36Å; Y68-F71 HydrophobicContact CE2-CD1 4.48Å; Y68-F71 WeakPolarHBondContact O-CB 3.36Å; Y68-F71 PolarHBondContact O-N 2.91Å; Y68-K72 HydrophobicContact CD1-CD 4.45Å; Y68-K72 HydrophobicContact CE1-CD 4.14Å; Y68-K72 PolarHBondContact O-N 3.49Å; Y68-K72 WeakPolarHBondContact OH-CE 3.4Å
69E93.5Very high93.4Very high100 Ų10053.2 Ų53.247%0.46726%0.257SS..Hα-helixtrans-67.2-40.9175.7-68.6-55.5132.600111.9R65 Q66 F71 K72 E73R65-E69 PolarHBondContact O-N 3.19Å; Q66-E69 PolarHBondContact O-N 3.2Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-F71 PolarHBondContact O-N 3.32Å; E69-K72 PolarHBondContact O-N 3.36Å; E69-K72 IonicContact OE1-NZ 3.92Å; E69-E73 WeakPolarHBondContact O-CB 3.49Å; E69-E73 PolarHBondContact O-N 3.48Å
70L94.8Very high93.5Very high26 Ų2656.4 Ų56.414%0.13627%0.269CS..Hα-helixtrans-63-39.6173.2-72171.6000112.1Y19 V20 F23 L24 Q66 A67 E73 A74Y19-L70 HydrophobicContact CE1-CD2 4.34Å; V20-L70 HydrophobicContact CG2-CB 3.99Å; F23-L70 HydrophobicContact CB-CD1 3.84Å; F23-L70 HydrophobicContact CB-CD2 3.66Å; F23-L70 HydrophobicContact CB-CG 4.39Å; F23-L70 HydrophobicContact CG-CD2 4.32Å; L24-L70 HydrophobicContact CB-CD1 3.73Å; Q66-L70 WeakPolarHBondContact O-CG 3.43Å; Q66-L70 PolarHBondContact O-N 3.36Å; A67-L70 PolarHBondContact O-N 3.45Å; L70-E73 PolarHBondContact O-N 2.96Å; L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 3.22Å
71F95.8Very high93.5Very high9 Ų952.9 Ų52.94%0.03925%0.246CC..Hα-helixtrans-62.9-42.1174.9169.2-99.9000112.1A16 V20 V36 F39 D40 A67 Y68 E69 A74 K75A16-F71 HydrophobicContact CB-CD2 4.07Å; A16-F71 HydrophobicContact CB-CE2 4.32Å; V20-F71 HydrophobicContact CG2-CB 4.14Å; V36-F71 HydrophobicContact CG1-CD2 3.97Å; V36-F71 HydrophobicContact CG1-CE2 3.94Å; V36-F71 HydrophobicContact CG2-CD2 4.49Å; F39-F71 HydrophobicContact CB-CD1 3.88Å; F39-F71 HydrophobicContact CB-CD2 4.42Å; F39-F71 HydrophobicContact CB-CE1 3.58Å; F39-F71 HydrophobicContact CB-CE2 4.16Å; F39-F71 HydrophobicContact CB-CG 4.25Å; F39-F71 HydrophobicContact CB-CZ 3.68Å; F39-F71 HydrophobicContact CD2-CB 4.1Å; F39-F71 HydrophobicContact CD2-CD1 4.21Å; F39-F71 HydrophobicContact CD2-CG 4.05Å; F39-F71 HydrophobicContact CG-CD1 4.37Å; D40-F71 WeakPolarHBondContact OD1-CE2 3.47Å; D40-F71 WeakPolarHBondContact OD1-CZ 3.47Å; A67-F71 VanDerWaalsContact O-CB 3.26Å; A67-F71 WeakPolarHBondContact O-CB 3.48Å; A67-F71 PolarHBondContact O-N 2.94Å; Y68-F71 HydrophobicContact CD2-CD1 4.36Å; Y68-F71 HydrophobicContact CE2-CD1 4.48Å; Y68-F71 WeakPolarHBondContact O-CB 3.36Å; Y68-F71 PolarHBondContact O-N 2.91Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-F71 PolarHBondContact O-N 3.32Å; F71-A74 WeakPolarHBondContact O-CB 3.36Å; F71-A74 PolarHBondContact O-N 2.88Å; F71-K75 HydrophobicContact CE1-CD 4Å; F71-K75 HydrophobicContact CE2-CD 4.48Å; F71-K75 HydrophobicContact CZ-CD 3.96Å; F71-K75 PolarHBondContact O-N 3.47Å
72K94.5Very high93.6Very high90 Ų9049 Ų4939%0.39122%0.223SC..Hα-helixtrans-63.7-42.7172.5-77.3178.6174.7167.40112.3Y68 E69 A74 K75 S76Y68-K72 HydrophobicContact CD1-CD 4.45Å; Y68-K72 HydrophobicContact CE1-CD 4.14Å; Y68-K72 PolarHBondContact O-N 3.49Å; Y68-K72 WeakPolarHBondContact OH-CE 3.4Å; E69-K72 PolarHBondContact O-N 3.36Å; E69-K72 IonicContact OE1-NZ 3.92Å; K72-A74 VanDerWaalsContact C-N 3.34Å; K72-K75 PolarHBondContact O-N 3.43Å; K72-S76 WeakPolarHBondContact O-CB 3.38Å; K72-S76 PolarHBondContact O-N 3.02Å
73E93.8Very high93.7Very high56 Ų5647.3 Ų47.326%0.26222%0.222SC..Hα-helixtrans-59.8-46.6176.5-175.4160.8-15400110.3Y19 E69 L70 K75 S76 I77 K328Y19-E73 HydrophobicContact CE1-CG 4.42Å; E69-E73 WeakPolarHBondContact O-CB 3.49Å; E69-E73 PolarHBondContact O-N 3.48Å; L70-E73 PolarHBondContact O-N 2.96Å; E73-K75 PolarHBondContact O-N 3.23Å; E73-S76 PolarHBondContact O-N 3.48Å; E73-I77 HydrophobicContact CG-CD1 3.74Å; E73-I77 HydrophobicContact CG-CG1 4.43Å; E73-I77 WeakPolarHBondContact O-CB 2.97Å; E73-I77 VanDerWaalsContact O-CG1 3.23Å; E73-I77 WeakPolarHBondContact O-CG1 3.39Å; E73-I77 PolarHBondContact O-N 3.04Å; E73-K328 IonicContact OE1-NZ 2.98Å; E73-K328 PolarHBondContact OE1-NZ 3.25Å; E73-K328 IonicContact OE2-NZ 3.51Å
74A95.5Very high93.5Very high0 Ų044.6 Ų44.60%021%0.21CC..Hα-helixtrans-55.2-49.3174.300000112.4W10 W14 A16 Y19 L70 F71 K72 I77 N78W10-A74 HydrophobicContact CH2-CB 4.35Å; W14-A74 HydrophobicContact CH2-CB 4.45Å; W14-A74 HydrophobicContact CZ3-CB 3.97Å; A16-A74 HydrophobicContact CB-CB 4.49Å; Y19-A74 HydrophobicContact CD1-CB 3.74Å; Y19-A74 HydrophobicContact CE1-CB 4.35Å; Y19-A74 HydrophobicContact CG-CB 3.89Å; L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 3.22Å; F71-A74 WeakPolarHBondContact O-CB 3.36Å; F71-A74 PolarHBondContact O-N 2.88Å; K72-A74 VanDerWaalsContact C-N 3.34Å; A74-I77 PolarHBondContact O-N 2.97Å; A74-N78 WeakPolarHBondContact O-CB 3.38Å; A74-N78 PolarHBondContact O-N 3.34Å
75K95Very high93.2Very high66 Ų6645.5 Ų45.529%0.28722%0.215SC..Hα-helixtrans-59.7-48176.5-77.9-169.1170.9-179.50112.2W10 D40 F71 K72 E73 I77 N78 E79W10-K75 HydrophobicContact CZ3-CG 4.23Å; D40-K75 VanDerWaalsContact OD1-CE 3.29Å; D40-K75 WeakPolarHBondContact OD1-CE 3.45Å; D40-K75 IonicContact OD1-NZ 3.67Å; D40-K75 PolarHBondContact OD1-NZ 3.24Å; F71-K75 HydrophobicContact CE1-CD 4Å; F71-K75 HydrophobicContact CE2-CD 4.48Å; F71-K75 HydrophobicContact CZ-CD 3.96Å; F71-K75 PolarHBondContact O-N 3.47Å; K72-K75 PolarHBondContact O-N 3.43Å; E73-K75 PolarHBondContact O-N 3.23Å; K75-I77 VanDerWaalsContact C-N 3.32Å; K75-I77 PolarHBondContact O-N 3.48Å; K75-N78 PolarHBondContact O-N 3.07Å; K75-E79 WeakPolarHBondContact O-CG 3.48Å; K75-E79 PolarHBondContact O-N 3.48Å
76S94.5Very high93Very high42 Ų4245.3 Ų45.329%0.29422%0.217SC..Hα-helixtrans-61-39.3177.9151.10000112.3K72 E73 K80K72-S76 WeakPolarHBondContact O-CB 3.38Å; K72-S76 PolarHBondContact O-N 3.02Å; E73-S76 PolarHBondContact O-N 3.48Å; S76-K80 WeakPolarHBondContact O-CG 3.46Å; S76-K80 PolarHBondContact O-N 3.32Å
77I94.6Very high92.5Very high0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-65.9-47.4176.3-69.3165.8000109.6W14 Y19 E73 A74 K75 E79 K80 I81 K106 V108 I111W14-I77 HydrophobicContact CH2-CB 4.14Å; W14-I77 HydrophobicContact CH2-CG2 3.83Å; W14-I77 HydrophobicContact CZ2-CB 4.43Å; W14-I77 HydrophobicContact CZ2-CG2 3.62Å; Y19-I77 HydrophobicContact CE2-CD1 4.05Å; Y19-I77 VanDerWaalsContact OH-CD1 3.29Å; Y19-I77 WeakPolarHBondContact OH-CD1 3.28Å; E73-I77 HydrophobicContact CG-CD1 3.74Å; E73-I77 HydrophobicContact CG-CG1 4.43Å; E73-I77 WeakPolarHBondContact O-CB 2.97Å; E73-I77 VanDerWaalsContact O-CG1 3.23Å; E73-I77 WeakPolarHBondContact O-CG1 3.39Å; E73-I77 PolarHBondContact O-N 3.04Å; A74-I77 PolarHBondContact O-N 2.97Å; K75-I77 VanDerWaalsContact C-N 3.32Å; K75-I77 PolarHBondContact O-N 3.48Å; I77-E79 VanDerWaalsContact C-N 3.34Å; I77-E79 PolarHBondContact O-N 3.4Å; I77-K80 WeakPolarHBondContact O-CB 3.23Å; I77-K80 PolarHBondContact O-N 3.36Å; I77-K80 VanDerWaalsContact O-N 3.08Å; I77-I81 HydrophobicContact CG2-CD1 4Å; I77-I81 HydrophobicContact CG2-CG1 4.46Å; I77-I81 WeakPolarHBondContact O-CG1 3.43Å; I77-I81 PolarHBondContact O-N 3.14Å; I77-K106 WeakPolarHBondContact CD1-O 3.32Å; I77-V108 HydrophobicContact CG1-CG2 4.06Å; I77-I111 HydrophobicContact CG2-CD1 3.84Å
78N95.5Very high91.6Very high13 Ų1344.6 Ų44.67%0.0722%0.221CC..Hα-helixtrans-59.1-41178.3-177.964.4000112.7W10 Y11 A12 A74 K75 K80 I81 G82W10-N78 HydrophobicContact CD2-CB 4.37Å; W10-N78 HydrophobicContact CE3-CB 4.32Å; W10-N78 HydrophobicContact CH2-CB 3.94Å; W10-N78 HydrophobicContact CZ2-CB 3.99Å; W10-N78 HydrophobicContact CZ3-CB 4.11Å; Y11-N78 WeakPolarHBondContact CA-OD1 3.47Å; Y11-N78 PolarHBondContact N-OD1 2.81Å; A12-N78 PolarHBondContact N-OD1 2.9Å; A74-N78 WeakPolarHBondContact O-CB 3.38Å; A74-N78 PolarHBondContact O-N 3.34Å; K75-N78 PolarHBondContact O-N 3.07Å; N78-K80 VanDerWaalsContact C-N 3.34Å; N78-K80 PolarHBondContact O-N 2.95Å; N78-I81 WeakPolarHBondContact O-CB 3.48Å; N78-I81 PolarHBondContact O-N 3.46Å; N78-G82 PolarHBondContact O-N 2.8Å
79E94.5Very high90.6Very high117 Ų11744.5 Ų44.555%0.54723%0.23SC..Hα-helixtrans-62-40.1173.9-73.6172.9179.800112.6K75 I77 G82 S83K75-E79 WeakPolarHBondContact O-CG 3.48Å; K75-E79 PolarHBondContact O-N 3.48Å; I77-E79 VanDerWaalsContact C-N 3.34Å; I77-E79 PolarHBondContact O-N 3.4Å; E79-G82 PolarHBondContact O-N 2.9Å; E79-S83 WeakPolarHBondContact O-CB 3.5Å; E79-S83 PolarHBondContact O-N 3.19Å; E79-S83 PolarHBondContact O-OG 2.95Å
80K92.9Very high89.5Confident76 Ų7648.2 Ų48.233%0.3325%0.245SC..Hα-helixtrans-69.7-36.3177.1-73.2176.4-174.6-177.90112.3S76 I77 N78 S83 L84 V108 I111S76-K80 WeakPolarHBondContact O-CG 3.46Å; S76-K80 PolarHBondContact O-N 3.32Å; I77-K80 WeakPolarHBondContact O-CB 3.23Å; I77-K80 PolarHBondContact O-N 3.36Å; I77-K80 VanDerWaalsContact O-N 3.08Å; N78-K80 VanDerWaalsContact C-N 3.34Å; N78-K80 PolarHBondContact O-N 2.95Å; K80-S83 PolarHBondContact O-N 3.43Å; K80-L84 WeakPolarHBondContact O-CB 3.47Å; K80-L84 PolarHBondContact O-N 3.5Å; K80-V108 HydrophobicContact CD-CG1 4.24Å; K80-V108 HydrophobicContact CD-CG2 4.14Å; K80-I111 HydrophobicContact CB-CD1 3.75Å; K80-I111 HydrophobicContact CB-CG2 4.35Å
81I92.6Very high88Confident0 Ų051.6 Ų51.60%026%0.263CS..Hα-helixtrans-58.9-53.3170.6-70.7172000108.9A12 W14 I77 N78 S83 L84 L85 V102 A105 I111A12-I81 HydrophobicContact CB-CD1 3.82Å; W14-I81 HydrophobicContact CZ2-CD1 4.07Å; I77-I81 HydrophobicContact CG2-CD1 4Å; I77-I81 HydrophobicContact CG2-CG1 4.46Å; I77-I81 WeakPolarHBondContact O-CG1 3.43Å; I77-I81 PolarHBondContact O-N 3.14Å; N78-I81 WeakPolarHBondContact O-CB 3.48Å; N78-I81 PolarHBondContact O-N 3.46Å; I81-S83 VanDerWaalsContact C-N 3.29Å; I81-S83 PolarHBondContact O-N 3.44Å; I81-L84 PolarHBondContact O-N 2.91Å; I81-L85 HydrophobicContact CG2-CD1 4.01Å; I81-L85 HydrophobicContact CG2-CG 4.33Å; I81-L85 WeakPolarHBondContact O-CG 3.49Å; I81-L85 PolarHBondContact O-N 3.37Å; I81-V102 HydrophobicContact CG2-CG1 3.97Å; I81-A105 HydrophobicContact CD1-CB 4.43Å; I81-A105 WeakPolarHBondContact CD1-O 3.32Å; I81-I111 HydrophobicContact CG1-CD1 3.7Å; I81-I111 HydrophobicContact CG1-CG1 4.15Å
82G92Very high86Confident1 Ų154 Ų541%0.0129%0.29CS..Hα-helixtrans-56.3-41.4177.700000113.3N78 E79 L85 K86N78-G82 PolarHBondContact O-N 2.8Å; E79-G82 PolarHBondContact O-N 2.9Å; G82-L85 PolarHBondContact O-N 3.45Å; G82-K86 VanDerWaalsContact O-CG 3.29Å; G82-K86 WeakPolarHBondContact O-CG 3.37Å; G82-K86 PolarHBondContact O-N 2.84Å
83S89.9Confident84Confident62 Ų6256.1 Ų56.143%0.43430%0.299SS..Hα-helixtrans-65-38.2176.1-59.10000112.9E79 K80 I81 S87E79-S83 WeakPolarHBondContact O-CB 3.5Å; E79-S83 PolarHBondContact O-N 3.19Å; E79-S83 PolarHBondContact O-OG 2.95Å; K80-S83 PolarHBondContact O-N 3.43Å; I81-S83 VanDerWaalsContact C-N 3.29Å; I81-S83 PolarHBondContact O-N 3.44Å; S83-S87 PolarHBondContact O-N 3.47Å; S83-S87 PolarHBondContact O-OG 3.29Å
84L86.7Confident82Confident3 Ų360.7 Ų60.72%0.01633%0.325CS..Hα-helixtrans-70.2-43.1176.7-177.257.6000111.1K80 I81 K86 S87 I88 V102 I111 I114 R115K80-L84 WeakPolarHBondContact O-CB 3.47Å; K80-L84 PolarHBondContact O-N 3.5Å; I81-L84 PolarHBondContact O-N 2.91Å; L84-K86 PolarHBondContact O-N 3.27Å; L84-S87 WeakPolarHBondContact O-CB 3.49Å; L84-S87 PolarHBondContact O-N 3.06Å; L84-I88 HydrophobicContact CD1-CD1 4.27Å; L84-I88 HydrophobicContact CD1-CG1 4.47Å; L84-I88 HydrophobicContact CG-CD1 3.93Å; L84-I88 WeakPolarHBondContact O-CG1 3.4Å; L84-I88 PolarHBondContact O-N 2.89Å; L84-V102 HydrophobicContact CB-CG1 4.23Å; L84-V102 HydrophobicContact CD2-CG1 3.9Å; L84-V102 HydrophobicContact CD2-CG2 3.82Å; L84-V102 HydrophobicContact CG-CG1 4.12Å; L84-V102 HydrophobicContact CG-CG2 4.27Å; L84-I111 HydrophobicContact CD2-CG2 3.9Å; L84-I114 HydrophobicContact CD2-CB 4.22Å; L84-I114 HydrophobicContact CD2-CG2 4.06Å; L84-R115 HydrophobicContact CD1-CB 4.06Å; L84-R115 HydrophobicContact CD1-CG 4.17Å
85L87.4Confident80.3Confident19 Ų1965 Ų6510%0.09935%0.345CS..Hα-helixtrans-58.7-45.7175.2-69178.7000111.9Y11 I81 G82 S87 I88 S89 T99 V102 R103Y11-L85 HydrophobicContact CD1-CD1 4.23Å; I81-L85 HydrophobicContact CG2-CD1 4.01Å; I81-L85 HydrophobicContact CG2-CG 4.33Å; I81-L85 WeakPolarHBondContact O-CG 3.49Å; I81-L85 PolarHBondContact O-N 3.37Å; G82-L85 PolarHBondContact O-N 3.45Å; L85-S87 PolarHBondContact O-N 3.33Å; L85-I88 PolarHBondContact O-N 3.03Å; L85-S89 PolarHBondContact O-N 3.35Å; L85-S89 PolarHBondContact O-OG 3.42Å; L85-T99 HydrophobicContact CD2-CG2 3.74Å; L85-V102 HydrophobicContact CD2-CB 3.83Å; L85-V102 HydrophobicContact CD2-CG1 3.55Å; L85-V102 HydrophobicContact CG-CG1 3.79Å; L85-R103 HydrophobicContact CD1-CG 4.02Å
86K85.8Confident79.1Confident121 Ų12170.2 Ų70.253%0.52637%0.371SS..Hα-helixtrans-61.7-27174.7-72.2174-173.8179.30113.5G82 L84 S89 K90G82-K86 VanDerWaalsContact O-CG 3.29Å; G82-K86 WeakPolarHBondContact O-CG 3.37Å; G82-K86 PolarHBondContact O-N 2.84Å; L84-K86 PolarHBondContact O-N 3.27Å; K86-S89 PolarHBondContact O-OG 3.08Å; K86-K90 WeakPolarHBondContact O-CG 3.4Å
87S82Confident77.9Confident61 Ų6171.9 Ų71.943%0.42739%0.388SS..Hα-helixtrans-78.4-42.8176.3-55.90000110.6S83 L84 L85 K90S83-S87 PolarHBondContact O-N 3.47Å; S83-S87 PolarHBondContact O-OG 3.29Å; L84-S87 WeakPolarHBondContact O-CB 3.49Å; L84-S87 PolarHBondContact O-N 3.06Å; L85-S87 PolarHBondContact O-N 3.33Å; S87-K90 PolarHBondContact O-N 3.26Å
88I77.1Confident77Confident6 Ų674.1 Ų74.13%0.03140%0.399CS..Hα-helixtrans-63.1-42.6177.7-68.5162000111.1L84 L85 K90 D91 L98 V102 V118L84-I88 HydrophobicContact CD1-CD1 4.27Å; L84-I88 HydrophobicContact CD1-CG1 4.47Å; L84-I88 HydrophobicContact CG-CD1 3.93Å; L84-I88 WeakPolarHBondContact O-CG1 3.4Å; L84-I88 PolarHBondContact O-N 2.89Å; L85-I88 PolarHBondContact O-N 3.03Å; I88-K90 PolarHBondContact O-N 3.08Å; I88-D91 PolarHBondContact O-N 3.09Å; I88-L98 HydrophobicContact CD1-CD2 3.84Å; I88-L98 HydrophobicContact CD1-CG 4.04Å; I88-L98 HydrophobicContact CG1-CD2 4.09Å; I88-L98 HydrophobicContact CG2-CD2 3.97Å; I88-V102 HydrophobicContact CD1-CG2 3.73Å; I88-V118 HydrophobicContact CG1-CG1 4.04Å
89S74.6Confident76.4Confident66 Ų6674.6 Ų74.646%0.46240%0.403SS..Hα-helixtrans-66.7-21.7-176.970.30000114L85 K86 D91 E95L85-S89 PolarHBondContact O-N 3.35Å; L85-S89 PolarHBondContact O-OG 3.42Å; K86-S89 PolarHBondContact O-OG 3.08Å; S89-D91 VanDerWaalsContact C-N 3.34Å; S89-E95 WeakPolarHBondContact CA-OE1 3.24Å; S89-E95 WeakPolarHBondContact CB-OE1 3.32Å
90K70.6Confident75.9Confident179 Ų17972.5 Ų72.578%0.77839%0.393SS*.Hα-helixtrans-75.9-23173.3-72.5-179.5178.5-172.60112.9K86 S87 I88K86-K90 WeakPolarHBondContact O-CG 3.4Å; S87-K90 PolarHBondContact O-N 3.26Å; I88-K90 PolarHBondContact O-N 3.08Å
91D61.8Low75.4Confident96 Ų9673 Ų7351%0.51340%0.398SS..Hα-helixtrans-89.6-8.2-174.6-74.6-27.8000113.5I88 S89 K93I88-D91 PolarHBondContact O-N 3.09Å; S89-D91 VanDerWaalsContact C-N 3.34Å; D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 2.92Å; D91-K93 VanDerWaalsContact O-N 3.11Å
92G55.4Low75.2Confident59 Ų5973 Ų7361%0.60840%0.398SS*.  trans66.910.3160.300000118.1
93K52.1Low75.1Confident136 Ų13677.8 Ų77.859%0.59142%0.416SS*.SBendtrans-131121.7179.2-74.7-174.7176.1-178.60112.7D91 D132D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 2.92Å; D91-K93 VanDerWaalsContact O-N 3.11Å; K93-D132 IonicContact NZ-OD1 2.72Å; K93-D132 PolarHBondContact NZ-OD1 2.91Å
94N51Low75.2Confident152 Ų15279.6 Ų79.681%0.81342%0.417SS*.  trans58.868.1172.3-68.4-23.9000115.7
95E60.7Low75.4Confident89 Ų8979.5 Ų79.542%0.41642%0.417SS..Hα-helixtrans-78.5-43.1-170.4-73.5-174.6136.500115S89 T99S89-E95 WeakPolarHBondContact CA-OE1 3.24Å; S89-E95 WeakPolarHBondContact CB-OE1 3.32Å; E95-T99 WeakPolarHBondContact O-CA 3.5Å; E95-T99 WeakPolarHBondContact O-CB 3.45Å; E95-T99 PolarHBondContact O-N 2.94Å; E95-T99 PolarHBondContact O-OG1 3.29Å
96E70.5Confident75.5Confident176 Ų17681.6 Ų81.682%0.82243%0.426SS*.Hα-helixtrans-68.3-54-163.8-79-175.8156.400114.4L98 T99 E100E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 3.15Å; E96-T99 PolarHBondContact O-N 3.22Å; E96-E100 PolarHBondContact O-N 2.78Å
97A69Low75.6Confident78 Ų7876.8 Ų76.865%0.64541%0.407SS*.Hα-helixtrans-63.6-37.1-177.400000112.2I101A97-I101 WeakPolarHBondContact O-CD1 3.37Å; A97-I101 VanDerWaalsContact O-CG1 3.29Å; A97-I101 WeakPolarHBondContact O-CG1 3.49Å; A97-I101 PolarHBondContact O-N 3.39Å
98L75Confident75.8Confident47 Ų4775.1 Ų75.125%0.24640%0.395CS..Hα-helixtrans-73-39.9176.9-175.765.1000111.3I88 E96 E100 I101 V102 I114 V118I88-L98 HydrophobicContact CD1-CD2 3.84Å; I88-L98 HydrophobicContact CD1-CG 4.04Å; I88-L98 HydrophobicContact CG1-CD2 4.09Å; I88-L98 HydrophobicContact CG2-CD2 3.97Å; E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 3.15Å; L98-E100 VanDerWaalsContact C-N 3.3Å; L98-E100 PolarHBondContact O-N 3.05Å; L98-I101 PolarHBondContact O-N 3.19Å; L98-V102 WeakPolarHBondContact O-CB 3.32Å; L98-V102 VanDerWaalsContact O-CG2 3.23Å; L98-V102 WeakPolarHBondContact O-CG2 3.18Å; L98-V102 PolarHBondContact O-N 3.17Å; L98-I114 HydrophobicContact CD1-CG2 4.05Å; L98-V118 HydrophobicContact CD1-CG2 4.25Å; L98-V118 HydrophobicContact CD2-CG2 3.76Å
99T82.5Confident76Confident23 Ų2378.1 Ų78.114%0.14141%0.408CS..Hα-helixtrans-57.9-45.8174.8-68.30000110.4L85 E95 E96 I101 V102 R103L85-T99 HydrophobicContact CD2-CG2 3.74Å; E95-T99 WeakPolarHBondContact O-CA 3.5Å; E95-T99 WeakPolarHBondContact O-CB 3.45Å; E95-T99 PolarHBondContact O-N 2.94Å; E95-T99 PolarHBondContact O-OG1 3.29Å; E96-T99 PolarHBondContact O-N 3.22Å; T99-I101 PolarHBondContact O-N 3.49Å; T99-V102 PolarHBondContact O-N 3.41Å; T99-R103 HydrophobicContact CG2-CG 4.29Å; T99-R103 VanDerWaalsContact O-CG 3.27Å; T99-R103 WeakPolarHBondContact O-CG 3.31Å; T99-R103 PolarHBondContact O-N 3.42Å
100E84.4Confident76.3Confident73 Ų7378.7 Ų78.734%0.34140%0.404SS..Hα-helixtrans-62.8-44.9179.5-171.752.7-147.300111.9T13 E96 L98 V102 R103 Q104T13-E100 WeakPolarHBondContact CG2-OE1 3.49Å; E96-E100 PolarHBondContact O-N 2.78Å; L98-E100 VanDerWaalsContact C-N 3.3Å; L98-E100 PolarHBondContact O-N 3.05Å; E100-V102 VanDerWaalsContact C-N 3.29Å; E100-V102 PolarHBondContact O-N 3.5Å; E100-R103 PolarHBondContact O-N 2.94Å; E100-Q104 WeakPolarHBondContact O-CG 3.31Å; E100-Q104 PolarHBondContact O-N 3.18Å; E100-Q104 VanDerWaalsContact O-N 3.1Å; E100-Q104 PolarHBondContact OE1-NE2 3.1Å
101I82.4Confident77.1Confident86 Ų8670.2 Ų70.244%0.44137%0.367SS..Hα-helixtrans-59.6-41.7174.5-66.8167.2000111.1A97 L98 T99 Q104 A105 I114A97-I101 WeakPolarHBondContact O-CD1 3.37Å; A97-I101 VanDerWaalsContact O-CG1 3.29Å; A97-I101 WeakPolarHBondContact O-CG1 3.49Å; A97-I101 PolarHBondContact O-N 3.39Å; L98-I101 PolarHBondContact O-N 3.19Å; T99-I101 PolarHBondContact O-N 3.49Å; I101-Q104 PolarHBondContact O-N 2.87Å; I101-A105 PolarHBondContact O-N 3.35Å; I101-I114 HydrophobicContact CG2-CD1 3.96Å; I101-I114 HydrophobicContact CG2-CG1 4.29Å
102V87.6Confident78.1Confident0 Ų069.3 Ų69.30%036%0.362CS..Hα-helixtrans-65.7-40.4178.7170.40000111.5I81 L84 L85 I88 L98 T99 E100 Q104 A105 I114I81-V102 HydrophobicContact CG2-CG1 3.97Å; L84-V102 HydrophobicContact CB-CG1 4.23Å; L84-V102 HydrophobicContact CD2-CG1 3.9Å; L84-V102 HydrophobicContact CD2-CG2 3.82Å; L84-V102 HydrophobicContact CG-CG1 4.12Å; L84-V102 HydrophobicContact CG-CG2 4.27Å; L85-V102 HydrophobicContact CD2-CB 3.83Å; L85-V102 HydrophobicContact CD2-CG1 3.55Å; L85-V102 HydrophobicContact CG-CG1 3.79Å; I88-V102 HydrophobicContact CD1-CG2 3.73Å; L98-V102 WeakPolarHBondContact O-CB 3.32Å; L98-V102 VanDerWaalsContact O-CG2 3.23Å; L98-V102 WeakPolarHBondContact O-CG2 3.18Å; L98-V102 PolarHBondContact O-N 3.17Å; T99-V102 PolarHBondContact O-N 3.41Å; E100-V102 VanDerWaalsContact C-N 3.29Å; E100-V102 PolarHBondContact O-N 3.5Å; V102-Q104 VanDerWaalsContact C-N 3.27Å; V102-Q104 PolarHBondContact O-N 2.91Å; V102-A105 WeakPolarHBondContact O-CB 3.25Å; V102-A105 PolarHBondContact O-N 3.14Å; V102-I114 HydrophobicContact CG2-CD1 4.27Å; V102-I114 HydrophobicContact CG2-CG2 3.63Å
103R91.4Very high79.1Confident101 Ų10167.7 Ų67.738%0.38134%0.339SS..Hα-helixtrans-68.7-24.4178.7-69.1-177.2171.1156.3-1.3113.4Y11 A12 T13 L85 T99 E100Y11-R103 WeakPolarHBondContact O-CD 3Å; Y11-R103 WeakPolarHBondContact O-CG 3.13Å; A12-R103 VanDerWaalsContact CA-O 3.26Å; A12-R103 WeakPolarHBondContact CA-O 3.34Å; A12-R103 WeakPolarHBondContact CB-O 3.38Å; T13-R103 HydrophobicContact CG2-CB 3.71Å; T13-R103 PolarHBondContact N-O 3.03Å; T13-R103 PolarHBondContact OG1-O 2.85Å; L85-R103 HydrophobicContact CD1-CG 4.02Å; T99-R103 HydrophobicContact CG2-CG 4.29Å; T99-R103 VanDerWaalsContact O-CG 3.27Å; T99-R103 WeakPolarHBondContact O-CG 3.31Å; T99-R103 PolarHBondContact O-N 3.42Å; E100-R103 PolarHBondContact O-N 2.94Å
104Q90.9Very high80.3Confident100 Ų10062.2 Ų62.247%0.46732%0.316SS..Hα-helixtrans-83.6-12.4177.8-70.4175.910.700113.8T13 E100 I101 V102 K106T13-Q104 HydrophobicContact CG2-CG 4.36Å; E100-Q104 WeakPolarHBondContact O-CG 3.31Å; E100-Q104 PolarHBondContact O-N 3.18Å; E100-Q104 VanDerWaalsContact O-N 3.1Å; E100-Q104 PolarHBondContact OE1-NE2 3.1Å; I101-Q104 PolarHBondContact O-N 2.87Å; V102-Q104 VanDerWaalsContact C-N 3.27Å; V102-Q104 PolarHBondContact O-N 2.91Å; Q104-K106 PolarHBondContact O-N 3.21Å
105A90.3Very high81.7Confident2 Ų259.8 Ų59.82%0.01730%0.296CS..  trans-59.3131.9-177.600000111.6W14 I81 I101 V102 E110 I111 I114W14-A105 VanDerWaalsContact CZ2-O 3.27Å; W14-A105 WeakPolarHBondContact CZ2-O 3.42Å; W14-A105 PolarHBondContact NE1-O 3.09Å; I81-A105 HydrophobicContact CD1-CB 4.43Å; I81-A105 WeakPolarHBondContact CD1-O 3.32Å; I101-A105 PolarHBondContact O-N 3.35Å; V102-A105 WeakPolarHBondContact O-CB 3.25Å; V102-A105 PolarHBondContact O-N 3.14Å; A105-E110 WeakPolarHBondContact CA-OE2 3.24Å; A105-E110 HydrophobicContact CB-CB 4.07Å; A105-I111 HydrophobicContact CB-CG1 3.76Å; A105-I114 HydrophobicContact CB-CD1 4.22Å
106K90.7Very high82.2Confident62 Ų6258.4 Ų58.427%0.2730%0.299SS..  trans-115.23.1-179.1-69.4-172.2-173-174.90113.7W14 Y19 E22 I77 Q104 E110W14-K106 HydrophobicContact CG-CG 4.49Å; Y19-K106 HydrophobicContact CE2-CB 4.17Å; Y19-K106 WeakPolarHBondContact CE2-O 3.48Å; Y19-K106 PolarHBondContact OH-O 2.78Å; Y19-K106 VanDerWaalsContact OH-O 3.13Å; E22-K106 IonicContact OE1-NZ 2.7Å; E22-K106 PolarHBondContact OE1-NZ 3.02Å; E22-K106 WeakPolarHBondContact OE2-CE 3.38Å; E22-K106 IonicContact OE2-NZ 3.23Å; E22-K106 PolarHBondContact OE2-NZ 3.4Å; I77-K106 WeakPolarHBondContact CD1-O 3.32Å; Q104-K106 PolarHBondContact O-N 3.21Å; K106-E110 PolarHBondContact N-OE2 3.11Å
107S87.8Confident82.1Confident20 Ų2052.4 Ų52.414%0.1427%0.273CS..SBendtrans-140.2152.117866.70000112.1E109 E110 I111S107-E109 PolarHBondContact O-N 2.97Å; S107-E110 PolarHBondContact O-N 3.46Å; S107-E110 WeakPolarHBondContact OG-CB 3.22Å; S107-E110 VanDerWaalsContact OG-CG 3.23Å; S107-E110 WeakPolarHBondContact OG-CG 3.38Å; S107-E110 PolarHBondContact OG-N 2.89Å; S107-E110 PolarHBondContact OG-OE1 2.88Å; S107-I111 WeakPolarHBondContact O-CG1 3.5Å; S107-I111 PolarHBondContact O-N 3.2Å; S107-I111 VanDerWaalsContact O-N 3.15Å
108V86.6Confident81.9Confident27 Ų2750.7 Ų50.716%0.16425%0.254CS..Hα-helixtrans-61.6-31.9173.7177.20000110.2I77 K80 I111 N112I77-V108 HydrophobicContact CG1-CG2 4.06Å; K80-V108 HydrophobicContact CD-CG1 4.24Å; K80-V108 HydrophobicContact CD-CG2 4.14Å; V108-I111 PolarHBondContact O-N 2.84Å; V108-N112 WeakPolarHBondContact O-CB 3.49Å; V108-N112 PolarHBondContact O-N 3.42Å; V108-N112 PolarHBondContact O-ND2 2.9Å; V108-N112 VanDerWaalsContact O-ND2 3.14Å
109E80.2Confident81.1Confident68 Ų6849.6 Ų49.632%0.31826%0.255SS..Hα-helixtrans-63.4-48.7175.5-67.372.5-161.800111.9S107 I111 N112 D113S107-E109 PolarHBondContact O-N 2.97Å; E109-I111 VanDerWaalsContact C-N 3.32Å; E109-I111 PolarHBondContact O-N 2.85Å; E109-N112 PolarHBondContact O-N 2.86Å; E109-D113 WeakPolarHBondContact O-CB 3.34Å; E109-D113 PolarHBondContact O-N 2.79Å
110E82Confident79.6Confident78 Ų7854 Ų5436%0.36429%0.293SS..Hα-helixtrans-58.4-43.8174.4-79.5155.1-128.500111.8A105 K106 S107 N112 D113 I114A105-E110 WeakPolarHBondContact CA-OE2 3.24Å; A105-E110 HydrophobicContact CB-CB 4.07Å; K106-E110 PolarHBondContact N-OE2 3.11Å; S107-E110 PolarHBondContact O-N 3.46Å; S107-E110 WeakPolarHBondContact OG-CB 3.22Å; S107-E110 VanDerWaalsContact OG-CG 3.23Å; S107-E110 WeakPolarHBondContact OG-CG 3.38Å; S107-E110 PolarHBondContact OG-N 2.89Å; S107-E110 PolarHBondContact OG-OE1 2.88Å; E110-N112 PolarHBondContact O-N 3.34Å; E110-D113 WeakPolarHBondContact O-CB 3.44Å; E110-D113 PolarHBondContact O-N 3.43Å; E110-I114 VanDerWaalsContact O-CG1 3.26Å; E110-I114 WeakPolarHBondContact O-CG1 3.42Å; E110-I114 PolarHBondContact O-N 3.42Å
111I87.3Confident78.3Confident1 Ų154.2 Ų54.21%0.00530%0.3CS..Hα-helixtrans-62.4-43.8178-63.9170.2000111.1I77 K80 I81 L84 A105 S107 V108 E109 D113 I114 R115I77-I111 HydrophobicContact CG2-CD1 3.84Å; K80-I111 HydrophobicContact CB-CD1 3.75Å; K80-I111 HydrophobicContact CB-CG2 4.35Å; I81-I111 HydrophobicContact CG1-CD1 3.7Å; I81-I111 HydrophobicContact CG1-CG1 4.15Å; L84-I111 HydrophobicContact CD2-CG2 3.9Å; A105-I111 HydrophobicContact CB-CG1 3.76Å; S107-I111 WeakPolarHBondContact O-CG1 3.5Å; S107-I111 PolarHBondContact O-N 3.2Å; S107-I111 VanDerWaalsContact O-N 3.15Å; V108-I111 PolarHBondContact O-N 2.84Å; E109-I111 VanDerWaalsContact C-N 3.32Å; E109-I111 PolarHBondContact O-N 2.85Å; I111-D113 VanDerWaalsContact C-N 3.3Å; I111-D113 PolarHBondContact O-N 3Å; I111-I114 PolarHBondContact O-N 3.08Å; I111-R115 VanDerWaalsContact O-CB 3.3Å; I111-R115 WeakPolarHBondContact O-CB 3.49Å; I111-R115 PolarHBondContact O-N 3.02Å
112N81.9Confident77.2Confident78 Ų7860.4 Ų60.442%0.41732%0.318SS..Hα-helixtrans-65.8-36.4178-74.4-30.9000111.9V108 E109 E110 R115 A116V108-N112 WeakPolarHBondContact O-CB 3.49Å; V108-N112 PolarHBondContact O-N 3.42Å; V108-N112 PolarHBondContact O-ND2 2.9Å; V108-N112 VanDerWaalsContact O-ND2 3.14Å; E109-N112 PolarHBondContact O-N 2.86Å; E110-N112 PolarHBondContact O-N 3.34Å; N112-R115 PolarHBondContact O-N 3.39Å; N112-A116 WeakPolarHBondContact O-CB 3.37Å; N112-A116 PolarHBondContact O-N 2.9Å
113D76Confident76.1Confident24 Ų2464.2 Ų64.213%0.12834%0.335CS..Hα-helixtrans-65.2-45.8176.8-74.7-18.9000110.8E109 E110 I111 R115 A116 D117 R317 R321E109-D113 WeakPolarHBondContact O-CB 3.34Å; E109-D113 PolarHBondContact O-N 2.79Å; E110-D113 WeakPolarHBondContact O-CB 3.44Å; E110-D113 PolarHBondContact O-N 3.43Å; I111-D113 VanDerWaalsContact C-N 3.3Å; I111-D113 PolarHBondContact O-N 3Å; D113-R115 VanDerWaalsContact C-N 3.34Å; D113-R115 PolarHBondContact O-N 3.42Å; D113-A116 PolarHBondContact O-N 3.43Å; D113-D117 PolarHBondContact O-N 3.27Å; D113-R317 IonicContact OD1-CZ 2.65Å; D113-R317 IonicContact OD1-NE 2.91Å; D113-R317 PolarHBondContact OD1-NE 3.08Å; D113-R317 IonicContact OD1-NH2 2.85Å; D113-R317 PolarHBondContact OD1-NH2 3.43Å; D113-R317 IonicContact OD2-CZ 2.91Å; D113-R317 IonicContact OD2-NE 2.77Å; D113-R317 PolarHBondContact OD2-NE 3.26Å; D113-R317 IonicContact OD2-NH2 3.14Å; D113-R317 PolarHBondContact OD2-NH2 3.19Å; D113-R321 IonicContact OD2-CZ 3.79Å; D113-R321 IonicContact OD2-NH1 3.82Å; D113-R321 PolarHBondContact OD2-NH1 3.31Å
114I79.1Confident75Confident21 Ų2160.2 Ų60.211%0.10832%0.322CS..Hα-helixtrans-62.7-43.3173.5-60.1160.1000110.4L84 L98 I101 V102 A105 E110 I111 A116 D117 V118L84-I114 HydrophobicContact CD2-CB 4.22Å; L84-I114 HydrophobicContact CD2-CG2 4.06Å; L98-I114 HydrophobicContact CD1-CG2 4.05Å; I101-I114 HydrophobicContact CG2-CD1 3.96Å; I101-I114 HydrophobicContact CG2-CG1 4.29Å; V102-I114 HydrophobicContact CG2-CD1 4.27Å; V102-I114 HydrophobicContact CG2-CG2 3.63Å; A105-I114 HydrophobicContact CB-CD1 4.22Å; E110-I114 VanDerWaalsContact O-CG1 3.26Å; E110-I114 WeakPolarHBondContact O-CG1 3.42Å; E110-I114 PolarHBondContact O-N 3.42Å; I111-I114 PolarHBondContact O-N 3.08Å; I114-A116 VanDerWaalsContact C-N 3.31Å; I114-A116 PolarHBondContact O-N 2.96Å; I114-D117 WeakPolarHBondContact O-CB 3.31Å; I114-D117 PolarHBondContact O-N 2.82Å; I114-D117 VanDerWaalsContact O-N 3.1Å; I114-V118 HydrophobicContact CG2-CG2 4.37Å; I114-V118 WeakPolarHBondContact O-CG2 3.46Å; I114-V118 PolarHBondContact O-N 2.84Å; I114-V118 VanDerWaalsContact O-N 3.12Å
115R79.9Confident74.2Confident102 Ų10257.8 Ų57.839%0.38532%0.318SS..Hα-helixtrans-62.2-36.7177.5-173.7-179.1-69-174.5-3.2112.3L84 I111 N112 D113 D117 V118 G119L84-R115 HydrophobicContact CD1-CB 4.06Å; L84-R115 HydrophobicContact CD1-CG 4.17Å; I111-R115 VanDerWaalsContact O-CB 3.3Å; I111-R115 WeakPolarHBondContact O-CB 3.49Å; I111-R115 PolarHBondContact O-N 3.02Å; N112-R115 PolarHBondContact O-N 3.39Å; D113-R115 VanDerWaalsContact C-N 3.34Å; D113-R115 PolarHBondContact O-N 3.42Å; R115-D117 PolarHBondContact O-N 2.92Å; R115-V118 PolarHBondContact O-N 3.41Å; R115-G119 PolarHBondContact O-N 3.44Å
116A70Confident73.8Confident59 Ų5959 Ų5949%0.48833%0.325SS..Hα-helixtrans-64.4-34.7176.300000111.5N112 D113 I114 V118 N124N112-A116 WeakPolarHBondContact O-CB 3.37Å; N112-A116 PolarHBondContact O-N 2.9Å; D113-A116 PolarHBondContact O-N 3.43Å; I114-A116 VanDerWaalsContact C-N 3.31Å; I114-A116 PolarHBondContact O-N 2.96Å; A116-V118 VanDerWaalsContact C-N 3.31Å; A116-N124 PolarHBondContact O-ND2 3.05Å
117D68.3Low73.4Confident51 Ų5157.4 Ų57.427%0.27332%0.318SS..Hα-helixtrans-71.4-26.7175.9-66.8-21.6000112.2D113 I114 R115D113-D117 PolarHBondContact O-N 3.27Å; I114-D117 WeakPolarHBondContact O-CB 3.31Å; I114-D117 PolarHBondContact O-N 2.82Å; I114-D117 VanDerWaalsContact O-N 3.1Å; R115-D117 PolarHBondContact O-N 2.92Å
118V65.4Low73.1Confident41 Ų4161.9 Ų61.925%0.24833%0.334CS..Hα-helixtrans-99.6-35-175.9178.70000114.6I88 L98 I114 R115 A116I88-V118 HydrophobicContact CG1-CG1 4.04Å; L98-V118 HydrophobicContact CD1-CG2 4.25Å; L98-V118 HydrophobicContact CD2-CG2 3.76Å; I114-V118 HydrophobicContact CG2-CG2 4.37Å; I114-V118 WeakPolarHBondContact O-CG2 3.46Å; I114-V118 PolarHBondContact O-N 2.84Å; I114-V118 VanDerWaalsContact O-N 3.12Å; R115-V118 PolarHBondContact O-N 3.41Å; A116-V118 VanDerWaalsContact C-N 3.31Å
119G58.2Low73.2Confident25 Ų2565.5 Ų65.526%0.25835%0.345SS..SBendtrans-71.8167.4-159.500000117.7R115 T121 N124R115-G119 PolarHBondContact O-N 3.44Å; G119-T121 VanDerWaalsContact C-N 3.33Å; G119-T121 PolarHBondContact O-N 3.36Å; G119-N124 WeakPolarHBondContact O-CB 3.24Å; G119-N124 VanDerWaalsContact O-CG 3.26Å; G119-N124 PolarHBondContact O-ND2 2.95Å
120A51.7Low73.6Confident114 Ų11462.3 Ų62.394%0.94233%0.33SS*.  trans-7763.4-177.900000114.7
121T57.5Low73.8Confident78 Ų7860.2 Ų60.248%0.47933%0.326SS..  trans-91.5154.9167.555.50000110.9G119 Q123 N124 A125G119-T121 VanDerWaalsContact C-N 3.33Å; G119-T121 PolarHBondContact O-N 3.36Å; T121-Q123 PolarHBondContact O-N 3.38Å; T121-N124 CarbonylContact O-C 3.58Å; T121-N124 WeakPolarHBondContact O-CA 3.43Å; T121-N124 PolarHBondContact O-N 3.07Å; T121-N124 VanDerWaalsContact OG1-CG 3.24Å; T121-N124 PolarHBondContact OG1-N 3.29Å; T121-N124 PolarHBondContact OG1-ND2 2.75Å; T121-A125 PolarHBondContact O-N 3Å
122R59.3Low73.8Confident217 Ų21764.4 Ų64.482%0.81935%0.349SS*.Hα-helixtrans-48-38.2174.2174.3-178.5146.1178.2-4.2112.4L126R122-L126 PolarHBondContact O-N 3.05Å
123Q64.7Low74.2Confident79 Ų7962.5 Ų62.537%0.36934%0.344SS..Hα-helixtrans-69-36.6176.8-71.3-65.9-41.600112.5T121 L126 K127T121-Q123 PolarHBondContact O-N 3.38Å; Q123-L126 PolarHBondContact O-N 3.45Å; Q123-K127 VanDerWaalsContact O-CG 3.25Å; Q123-K127 WeakPolarHBondContact O-CG 3.27Å; Q123-K127 PolarHBondContact O-N 3.22Å
124N67.6Low74.8Confident18 Ų1863.4 Ų63.410%0.09636%0.359CS..Hα-helixtrans-74.4-33.8175.5-68.3-9.2000111.8A116 G119 T121 K127 K128A116-N124 PolarHBondContact O-ND2 3.05Å; G119-N124 WeakPolarHBondContact O-CB 3.24Å; G119-N124 VanDerWaalsContact O-CG 3.26Å; G119-N124 PolarHBondContact O-ND2 2.95Å; T121-N124 CarbonylContact O-C 3.58Å; T121-N124 WeakPolarHBondContact O-CA 3.43Å; T121-N124 PolarHBondContact O-N 3.07Å; T121-N124 VanDerWaalsContact OG1-CG 3.24Å; T121-N124 PolarHBondContact OG1-N 3.29Å; T121-N124 PolarHBondContact OG1-ND2 2.75Å; N124-K127 PolarHBondContact O-N 2.98Å; N124-K127 PolarHBondContact OD1-NZ 3.27Å; N124-K128 WeakPolarHBondContact O-CB 3.16Å; N124-K128 PolarHBondContact O-N 3.12Å
125A74Confident75.5Confident48 Ų4862.4 Ų62.440%0.39735%0.354SS..Hα-helixtrans-62.8-39.8169.300000112.3T121 K128 R129T121-A125 PolarHBondContact O-N 3Å; A125-K128 PolarHBondContact O-N 2.89Å; A125-R129 WeakPolarHBondContact O-CB 3.49Å; A125-R129 WeakPolarHBondContact O-CG 3.39Å; A125-R129 PolarHBondContact O-N 3.28Å
126L82.7Confident76.1Confident29 Ų2961.6 Ų61.615%0.15235%0.354CS..Hα-helixtrans-62.4-47172.9178.166000111.7R122 Q123 K128 R129 A130 F159 A168 A171R122-L126 PolarHBondContact O-N 3.05Å; Q123-L126 PolarHBondContact O-N 3.45Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 3.05Å; L126-R129 PolarHBondContact O-N 2.91Å; L126-A130 VanDerWaalsContact O-CB 3.28Å; L126-A130 WeakPolarHBondContact O-CB 3.48Å; L126-A130 PolarHBondContact O-N 2.84Å; L126-F159 HydrophobicContact CD1-CE1 3.64Å; L126-F159 HydrophobicContact CD1-CZ 4.16Å; L126-A168 HydrophobicContact CD1-CB 4.39Å; L126-A171 HydrophobicContact CD2-CB 3.96Å; L126-A171 HydrophobicContact CG-CB 4.38Å
127K82.1Confident77.2Confident28 Ų2863.4 Ų63.412%0.12236%0.36CS..Hα-helixtrans-62.1-40.8177.3-67.6165.3-168170.90111.9Q123 N124 A130 A131 A171 L172 Q175Q123-K127 VanDerWaalsContact O-CG 3.25Å; Q123-K127 WeakPolarHBondContact O-CG 3.27Å; Q123-K127 PolarHBondContact O-N 3.22Å; N124-K127 PolarHBondContact O-N 2.98Å; N124-K127 PolarHBondContact OD1-NZ 3.27Å; K127-A130 PolarHBondContact O-N 3.36Å; K127-A131 WeakPolarHBondContact O-CB 3.44Å; K127-A131 PolarHBondContact O-N 3.37Å; K127-A171 HydrophobicContact CG-CB 3.96Å; K127-L172 HydrophobicContact CB-CD2 4.14Å; K127-Q175 HydrophobicContact CD-CB 4.1Å; K127-Q175 HydrophobicContact CD-CG 4.41Å
128K81.5Confident78.4Confident113 Ų11361.7 Ų61.749%0.49135%0.351SS..Hα-helixtrans-61.2-53.1177.9-174.4174.7-178.9175.80110.8N124 A125 L126 A130 A131 D132N124-K128 WeakPolarHBondContact O-CB 3.16Å; N124-K128 PolarHBondContact O-N 3.12Å; A125-K128 PolarHBondContact O-N 2.89Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 3.05Å; K128-A130 VanDerWaalsContact C-N 3.32Å; K128-A130 PolarHBondContact O-N 2.96Å; K128-A131 PolarHBondContact O-N 2.92Å; K128-A131 VanDerWaalsContact O-N 3.11Å; K128-D132 PolarHBondContact O-N 3.34Å
129R87.1Confident79.8Confident104 Ų10459.8 Ų59.839%0.39234%0.339SS..Hα-helixtrans-54.5-45.6173.3-79.5-168-62.9147.91.6112.9A125 L126 A131 D132 A133 E158 F159A125-R129 WeakPolarHBondContact O-CB 3.49Å; A125-R129 WeakPolarHBondContact O-CG 3.39Å; A125-R129 PolarHBondContact O-N 3.28Å; L126-R129 PolarHBondContact O-N 2.91Å; R129-A131 VanDerWaalsContact C-N 3.33Å; R129-A131 PolarHBondContact O-N 3.01Å; R129-D132 PolarHBondContact O-N 3.21Å; R129-A133 VanDerWaalsContact O-CB 3.29Å; R129-A133 WeakPolarHBondContact O-CB 3.46Å; R129-A133 PolarHBondContact O-N 3Å; R129-E158 WeakPolarHBondContact CA-OE2 3.5Å; R129-E158 WeakPolarHBondContact CB-OE2 3.4Å; R129-E158 WeakPolarHBondContact CG-OE2 3.4Å; R129-F159 HydrophobicContact CB-CE2 4.36Å; R129-F159 HydrophobicContact CB-CZ 3.93Å
130A89.4Confident81.4Confident0 Ų063.6 Ų63.60%035%0.348CS..Hα-helixtrans-61.6-40.217700000112.8L126 K127 K128 L135 F159 A168 L172L126-A130 VanDerWaalsContact O-CB 3.28Å; L126-A130 WeakPolarHBondContact O-CB 3.48Å; L126-A130 PolarHBondContact O-N 2.84Å; K127-A130 PolarHBondContact O-N 3.36Å; K128-A130 VanDerWaalsContact C-N 3.32Å; K128-A130 PolarHBondContact O-N 2.96Å; A130-L135 HydrophobicContact CB-CB 4.44Å; A130-L135 HydrophobicContact CB-CD1 4.19Å; A130-L135 VanDerWaalsContact O-CB 3.23Å; A130-L135 WeakPolarHBondContact O-CB 3.39Å; A130-L135 PolarHBondContact O-N 2.93Å; A130-F159 HydrophobicContact CB-CE2 4.37Å; A130-F159 HydrophobicContact CB-CZ 4.07Å; A130-A168 HydrophobicContact CB-CB 3.8Å; A130-L172 HydrophobicContact CB-CD1 3.63Å; A130-L172 HydrophobicContact CB-CD2 4.36Å; A130-L172 HydrophobicContact CB-CG 3.95Å
131A86.6Confident83.4Confident34 Ų3460.3 Ų60.328%0.28132%0.317SS..Hα-helixtrans-69.2-43.6176.600000111.8K127 K128 R129 A133 G134 L172K127-A131 WeakPolarHBondContact O-CB 3.44Å; K127-A131 PolarHBondContact O-N 3.37Å; K128-A131 PolarHBondContact O-N 2.92Å; K128-A131 VanDerWaalsContact O-N 3.11Å; R129-A131 VanDerWaalsContact C-N 3.33Å; R129-A131 PolarHBondContact O-N 3.01Å; A131-A133 VanDerWaalsContact C-N 3.26Å; A131-A133 PolarHBondContact O-N 3.45Å; A131-G134 PolarHBondContact O-N 3.03Å; A131-L172 HydrophobicContact CB-CD2 4.48Å
132D86.4Confident85.1Confident89 Ų8956.6 Ų56.648%0.47629%0.294SS..Hα-helixtrans-64.3-31.7177-68.4-30000111.4K93 K128 R129 G134K93-D132 IonicContact NZ-OD1 2.72Å; K93-D132 PolarHBondContact NZ-OD1 2.91Å; K128-D132 PolarHBondContact O-N 3.34Å; R129-D132 PolarHBondContact O-N 3.21Å; D132-G134 PolarHBondContact O-N 3.37Å
133A90Very high86.6Confident38 Ų3846.5 Ų46.531%0.31426%0.256SS..THydrogen-bonded Turntrans-78.17.5171.500000114.4R129 A131 L135 F159R129-A133 VanDerWaalsContact O-CB 3.29Å; R129-A133 WeakPolarHBondContact O-CB 3.46Å; R129-A133 PolarHBondContact O-N 3Å; A131-A133 VanDerWaalsContact C-N 3.26Å; A131-A133 PolarHBondContact O-N 3.45Å; A133-L135 VanDerWaalsContact C-N 3.27Å; A133-L135 HydrophobicContact CB-CG 4.33Å; A133-L135 PolarHBondContact O-N 3.32Å; A133-F159 HydrophobicContact CB-CD2 4.07Å; A133-F159 HydrophobicContact CB-CE2 3.87Å
134G89.8Confident87.8Confident43 Ų4344.7 Ų44.744%0.44326%0.259SS..THydrogen-bonded Turntrans76.62.7177.100000115.6A131 D132 Q136 T137A131-G134 PolarHBondContact O-N 3.03Å; D132-G134 PolarHBondContact O-N 3.37Å; G134-Q136 PolarHBondContact O-N 3.4Å; G134-T137 PolarHBondContact O-N 3.2Å
135L93.8Very high88.8Confident1 Ų148.1 Ų48.11%0.00528%0.281CS..Hα-helixtrans-69-7.5-178.7-55.5179.4000113.3A130 A133 T137 V138 A139 F154 F159 V165 A168 V169 L172A130-L135 HydrophobicContact CB-CB 4.44Å; A130-L135 HydrophobicContact CB-CD1 4.19Å; A130-L135 VanDerWaalsContact O-CB 3.23Å; A130-L135 WeakPolarHBondContact O-CB 3.39Å; A130-L135 PolarHBondContact O-N 2.93Å; A133-L135 VanDerWaalsContact C-N 3.27Å; A133-L135 HydrophobicContact CB-CG 4.33Å; A133-L135 PolarHBondContact O-N 3.32Å; L135-T137 VanDerWaalsContact C-N 3.33Å; L135-T137 PolarHBondContact O-N 3.47Å; L135-V138 WeakPolarHBondContact O-CB 3.39Å; L135-V138 PolarHBondContact O-N 2.88Å; L135-A139 PolarHBondContact O-N 3.46Å; L135-F154 HydrophobicContact CD2-CB 3.62Å; L135-F154 HydrophobicContact CD2-CD1 4.3Å; L135-F154 HydrophobicContact CD2-CG 4.18Å; L135-F159 HydrophobicContact CD1-CD2 3.83Å; L135-F159 HydrophobicContact CD1-CE2 3.97Å; L135-F159 HydrophobicContact CD1-CG 4.35Å; L135-V165 HydrophobicContact CD1-CG1 4.38Å; L135-V165 HydrophobicContact CD2-CG1 4.13Å; L135-A168 HydrophobicContact CD1-CB 3.74Å; L135-V169 HydrophobicContact CB-CG2 4.12Å; L135-V169 HydrophobicContact CD1-CG2 4.42Å; L135-L172 HydrophobicContact CB-CD1 4.02Å
136Q91.7Very high89.5Confident85 Ų8545.9 Ų45.940%0.39726%0.262SS..Hα-helixtrans-63.6-37.7176.6-167.7177.64.600112.6G134 A139 K140 L172G134-Q136 PolarHBondContact O-N 3.4Å; Q136-A139 PolarHBondContact O-N 3.38Å; Q136-K140 WeakPolarHBondContact O-CB 3.26Å; Q136-K140 WeakPolarHBondContact O-CG 3.42Å; Q136-K140 PolarHBondContact O-N 3.39Å; Q136-L172 HydrophobicContact CB-CD1 4.5Å
137T93.3Very high89.9Confident97 Ų9750.1 Ų50.160%0.59528%0.281SS*.Hα-helixtrans-66.9-41.7176.6-54.80000110.3G134 L135 A139 K140 T141G134-T137 PolarHBondContact O-N 3.2Å; L135-T137 VanDerWaalsContact C-N 3.33Å; L135-T137 PolarHBondContact O-N 3.47Å; T137-A139 PolarHBondContact O-N 2.9Å; T137-K140 PolarHBondContact O-N 3.24Å; T137-T141 PolarHBondContact O-N 3.37Å; T137-T141 PolarHBondContact O-OG1 3.12Å; T137-T141 VanDerWaalsContact O-OG1 3.07Å
138V94.5Very high90.4Very high15 Ų1550.3 Ų50.39%0.09128%0.283CS..Hα-helixtrans-59.5-46.6175.5-1740000111.1L135 K140 T141 C142 F149 F154 V169L135-V138 WeakPolarHBondContact O-CB 3.39Å; L135-V138 PolarHBondContact O-N 2.88Å; V138-K140 PolarHBondContact O-N 3.35Å; V138-T141 PolarHBondContact O-N 3.02Å; V138-C142 VanDerWaalsContact O-CB 3.28Å; V138-C142 WeakPolarHBondContact O-CB 3.33Å; V138-C142 PolarHBondContact O-N 3.27Å; V138-F149 HydrophobicContact CG1-CB 3.52Å; V138-F149 HydrophobicContact CG1-CD1 3.61Å; V138-F149 HydrophobicContact CG1-CD2 3.93Å; V138-F149 HydrophobicContact CG1-CE1 4.32Å; V138-F149 HydrophobicContact CG1-CG 3.39Å; V138-F154 HydrophobicContact CG1-CE2 4.36Å; V138-F154 HydrophobicContact CG2-CD1 3.73Å; V138-F154 HydrophobicContact CG2-CD2 4.3Å; V138-F154 HydrophobicContact CG2-CE1 3.39Å; V138-F154 HydrophobicContact CG2-CE2 4.02Å; V138-F154 HydrophobicContact CG2-CG 4.17Å; V138-F154 HydrophobicContact CG2-CZ 3.56Å; V138-V169 HydrophobicContact CB-CG2 4.4Å; V138-V169 HydrophobicContact CG1-CG1 4.49Å; V138-V169 HydrophobicContact CG1-CG2 4.14Å
139A93.9Very high90.9Very high0 Ų046 Ų460%026%0.264CS..Hα-helixtrans-61.7-41.6176.600000112.6L135 Q136 T137 L143 V169 L172 I173 M176L135-A139 PolarHBondContact O-N 3.46Å; Q136-A139 PolarHBondContact O-N 3.38Å; T137-A139 PolarHBondContact O-N 2.9Å; A139-L143 WeakPolarHBondContact O-CB 3.35Å; A139-L143 PolarHBondContact O-N 3.28Å; A139-V169 HydrophobicContact CB-CG1 4.05Å; A139-L172 HydrophobicContact CB-CB 3.68Å; A139-L172 HydrophobicContact CB-CD1 4.23Å; A139-I173 HydrophobicContact CB-CG1 4.03Å; A139-M176 HydrophobicContact CB-SD 4.2Å
140K92.9Very high91.2Very high105 Ų10545 Ų4546%0.45727%0.267SS..Hα-helixtrans-62.9-47.1176.6-77.8171.1178.6177.80111.9Q136 T137 V138 L143 G144 M176Q136-K140 WeakPolarHBondContact O-CB 3.26Å; Q136-K140 WeakPolarHBondContact O-CG 3.42Å; Q136-K140 PolarHBondContact O-N 3.39Å; T137-K140 PolarHBondContact O-N 3.24Å; V138-K140 PolarHBondContact O-N 3.35Å; K140-L143 PolarHBondContact O-N 2.93Å; K140-G144 PolarHBondContact O-N 3.49Å; K140-M176 HydrophobicContact CB-CE 4.21Å; K140-M176 HydrophobicContact CG-CE 3.45Å; K140-M176 VanDerWaalsContact CG-CE 3.45Å; K140-M176 HydrophobicContact CG-SD 4.05Å
141T93Very high91.2Very high45 Ų4545.4 Ų45.428%0.27627%0.271SS..Hα-helixtrans-65.2-42.5179.6-58.60000111.1T137 V138 V145 G146 Q147T137-T141 PolarHBondContact O-N 3.37Å; T137-T141 PolarHBondContact O-OG1 3.12Å; T137-T141 VanDerWaalsContact O-OG1 3.07Å; V138-T141 PolarHBondContact O-N 3.02Å; T141-V145 HydrophobicContact CG2-CB 4.42Å; T141-V145 HydrophobicContact CG2-CG2 4.47Å; T141-V145 WeakPolarHBondContact O-CB 3.06Å; T141-V145 PolarHBondContact O-N 3.37Å; T141-G146 PolarHBondContact O-N 3.04Å; T141-Q147 HydrophobicContact CG2-CB 4.03Å
142C93Very high91.5Very high1 Ų148.7 Ų48.71%0.00728%0.284CS..Hα-helixtrans-62.4-46.1177-1700000112.3V138 G146 Q147 F149 I173V138-C142 VanDerWaalsContact O-CB 3.28Å; V138-C142 WeakPolarHBondContact O-CB 3.33Å; V138-C142 PolarHBondContact O-N 3.27Å; C142-G146 VanDerWaalsContact O-CA 3.27Å; C142-G146 WeakPolarHBondContact O-CA 3.48Å; C142-G146 PolarHBondContact O-N 2.98Å; C142-Q147 VanDerWaalsContact CA-O 3.3Å; C142-Q147 WeakPolarHBondContact CA-O 3.45Å; C142-F149 HydrophobicContact CB-CD1 4.43Å; C142-I173 HydrophobicContact CB-CD1 4.28Å
143L91.1Very high91.8Very high4 Ų450.7 Ų50.72%0.02129%0.294CS..Hα-helixtrans-74.6-41.9-179.9-178.860.8000113.1A139 K140 I173 M176 I177 L289 M290 V302A139-L143 WeakPolarHBondContact O-CB 3.35Å; A139-L143 PolarHBondContact O-N 3.28Å; K140-L143 PolarHBondContact O-N 2.93Å; L143-I173 HydrophobicContact CD1-CG2 4.38Å; L143-M176 HydrophobicContact CD2-CB 3.79Å; L143-M176 HydrophobicContact CD2-CE 4.11Å; L143-M176 HydrophobicContact CD2-SD 4.43Å; L143-I177 HydrophobicContact CD1-CG1 4.32Å; L143-I177 HydrophobicContact CD2-CG1 4.3Å; L143-L289 HydrophobicContact CD1-CB 4.27Å; L143-M290 HydrophobicContact CD1-SD 4.4Å; L143-M290 WeakPolarHBondContact O-CA 3.08Å; L143-V302 HydrophobicContact CD1-CG1 3.78Å
144G89.2Confident91.9Very high41 Ų4152.7 Ų52.742%0.42330%0.296SS..Hα-helixtrans-84.3-52.8-172.200000113.3K140 G291K140-G144 PolarHBondContact O-N 3.49Å; G144-G291 VanDerWaalsContact O-CA 3.26Å; G144-G291 WeakPolarHBondContact O-CA 3.4Å; G144-G291 PolarHBondContact O-N 3.41Å
145V88.9Confident92Very high91 Ų9153.7 Ų53.755%0.55229%0.293SS*.THydrogen-bonded Turntrans-86.4-27.4-177-174.70000111T141T141-V145 HydrophobicContact CG2-CB 4.42Å; T141-V145 HydrophobicContact CG2-CG2 4.47Å; T141-V145 WeakPolarHBondContact O-CB 3.06Å; T141-V145 PolarHBondContact O-N 3.37Å
146G89.4Confident91.9Very high1 Ų155.8 Ų55.81%0.0131%0.307CS..  trans77.628.3-174.300000112.6T141 C142 G294 C295 A298T141-G146 PolarHBondContact O-N 3.04Å; C142-G146 VanDerWaalsContact O-CA 3.27Å; C142-G146 WeakPolarHBondContact O-CA 3.48Å; C142-G146 PolarHBondContact O-N 2.98Å; G146-G294 CarbonylContact O-C 3.55Å; G146-G294 VanDerWaalsContact O-CA 3.28Å; G146-G294 WeakPolarHBondContact O-CA 3.46Å; G146-C295 PolarHBondContact O-N 2.94Å; G146-C295 PolarHBondContact O-SG 3.17Å; G146-A298 VanDerWaalsContact O-CB 3.24Å; G146-A298 WeakPolarHBondContact O-CB 3.48Å
147Q90.8Very high91.8Very high117 Ų11758.6 Ų58.655%0.54733%0.331SS..  trans-90.1132.1172.3176.5-179.42.800109.6T141 C142T141-Q147 HydrophobicContact CG2-CB 4.03Å; C142-Q147 VanDerWaalsContact CA-O 3.3Å; C142-Q147 WeakPolarHBondContact CA-O 3.45Å
148M92.1Very high91.6Very high33 Ų3357.8 Ų57.816%0.16332%0.32CS..  trans-79.8155.3175.3-158.860.312400111.1E297 A298 F301M148-E297 HydrophobicContact CE-CB 3.77Å; M148-E297 HydrophobicContact CE-CG 3.47Å; M148-E297 VanDerWaalsContact CE-CG 3.47Å; M148-E297 WeakPolarHBondContact CE-O 3.37Å; M148-E297 WeakPolarHBondContact CE-OE1 3.32Å; M148-E297 HydrophobicContact CG-CB 4.36Å; M148-E297 HydrophobicContact CG-CG 4.44Å; M148-A298 HydrophobicContact CB-CB 4.27Å; M148-A298 HydrophobicContact SD-CB 4.05Å; M148-F301 HydrophobicContact CE-CB 3.54Å; M148-F301 HydrophobicContact CE-CG 4.25Å; M148-F301 HydrophobicContact SD-CB 4.19Å; M148-F301 HydrophobicContact SD-CD1 4.41Å
149F92.5Very high91.6Very high22 Ų2257.3 Ų57.310%0.09632%0.317CS..  trans-115.3147.417662.9-83.4000110.2V138 C142 F154 V165 V169 F301V138-F149 HydrophobicContact CG1-CB 3.52Å; V138-F149 HydrophobicContact CG1-CD1 3.61Å; V138-F149 HydrophobicContact CG1-CD2 3.93Å; V138-F149 HydrophobicContact CG1-CE1 4.32Å; V138-F149 HydrophobicContact CG1-CG 3.39Å; C142-F149 HydrophobicContact CB-CD1 4.43Å; F149-F154 HydrophobicContact CB-CE2 4.03Å; F149-F154 HydrophobicContact CD2-CD2 4.44Å; F149-V165 HydrophobicContact CE2-CG1 4.13Å; F149-V169 HydrophobicContact CD1-CG1 4.37Å; F149-V169 HydrophobicContact CE1-CB 4.14Å; F149-V169 HydrophobicContact CE1-CG1 3.57Å; F149-V169 HydrophobicContact CE1-CG2 4.39Å; F149-V169 HydrophobicContact CE2-CB 4.39Å; F149-V169 HydrophobicContact CE2-CG2 4.05Å; F149-V169 HydrophobicContact CZ-CB 3.74Å; F149-V169 HydrophobicContact CZ-CG1 3.71Å; F149-V169 HydrophobicContact CZ-CG2 3.88Å; F149-F301 HydrophobicContact CE1-CD1 4.18Å; F149-F301 AromaticContact CE1-CE1 3.7Å; F149-F301 HydrophobicContact CE1-CE1 3.7Å; F149-F301 HydrophobicContact CE1-CZ 4.37Å; F149-F301 HydrophobicContact CZ-CE1 4.01Å; F149-F301 HydrophobicContact CZ-CZ 4.22Å
150D92.8Very high91.5Very high83 Ų8361.9 Ų61.944%0.44435%0.347SS..  trans-83.7116.8165.9-178.5-3.1000108.9N152 L153 F154D150-N152 PolarHBondContact O-N 3.12Å; D150-N152 WeakPolarHBondContact OD1-CB 3.33Å; D150-N152 PolarHBondContact OD1-N 3.44Å; D150-N152 PolarHBondContact OD1-ND2 3.25Å; D150-N152 VanDerWaalsContact OD1-ND2 3.14Å; D150-L153 HydrophobicContact CB-CD1 3.87Å; D150-L153 HydrophobicContact CB-CG 3.96Å; D150-L153 PolarHBondContact O-N 2.71Å; D150-F154 WeakPolarHBondContact O-CD2 3.37Å
151G89.9Confident91.6Very high9 Ų960.3 Ų60.39%0.09335%0.346CS..G310 helixtrans-62-26.3-178.600000113.4L153 F154G151-L153 VanDerWaalsContact C-N 3.3Å; G151-L153 PolarHBondContact O-N 2.95Å; G151-F154 PolarHBondContact O-N 2.94Å
152N92.3Very high91.7Very high102 Ų10259.5 Ų59.555%0.54534%0.344SS..G310 helixtrans-66.2-34179.3-65.1-52.6000112.1D150 F154 T155 A162D150-N152 PolarHBondContact O-N 3.12Å; D150-N152 WeakPolarHBondContact OD1-CB 3.33Å; D150-N152 PolarHBondContact OD1-N 3.44Å; D150-N152 PolarHBondContact OD1-ND2 3.25Å; D150-N152 VanDerWaalsContact OD1-ND2 3.14Å; N152-F154 PolarHBondContact O-N 2.93Å; N152-T155 PolarHBondContact O-N 3.24Å; N152-T155 PolarHBondContact O-OG1 3.49Å; N152-A162 WeakPolarHBondContact OD1-CB 3.17Å
153L92Very high91.7Very high132 Ų13266.3 Ų66.369%0.69138%0.375SS*.G310 helixtrans-68.2-18.5-178.7-64.5177.8000113.7D150 G151D150-L153 HydrophobicContact CB-CD1 3.87Å; D150-L153 HydrophobicContact CB-CG 3.96Å; D150-L153 PolarHBondContact O-N 2.71Å; G151-L153 VanDerWaalsContact C-N 3.3Å; G151-L153 PolarHBondContact O-N 2.95Å
154F92.2Very high91.8Very high80 Ų8067.5 Ų67.535%0.35138%0.384SS..G310 helixtrans-116.818.4-176.9-58-83.3000112.6L135 V138 F149 D150 G151 N152 V165L135-F154 HydrophobicContact CD2-CB 3.62Å; L135-F154 HydrophobicContact CD2-CD1 4.3Å; L135-F154 HydrophobicContact CD2-CG 4.18Å; V138-F154 HydrophobicContact CG1-CE2 4.36Å; V138-F154 HydrophobicContact CG2-CD1 3.73Å; V138-F154 HydrophobicContact CG2-CD2 4.3Å; V138-F154 HydrophobicContact CG2-CE1 3.39Å; V138-F154 HydrophobicContact CG2-CE2 4.02Å; V138-F154 HydrophobicContact CG2-CG 4.17Å; V138-F154 HydrophobicContact CG2-CZ 3.56Å; F149-F154 HydrophobicContact CB-CE2 4.03Å; F149-F154 HydrophobicContact CD2-CD2 4.44Å; D150-F154 WeakPolarHBondContact O-CD2 3.37Å; G151-F154 PolarHBondContact O-N 2.94Å; N152-F154 PolarHBondContact O-N 2.93Å; F154-V165 HydrophobicContact CB-CG1 3.87Å; F154-V165 VanDerWaalsContact O-CG2 3.32Å; F154-V165 WeakPolarHBondContact O-CG2 3.44Å
155T93Very high92.1Very high63 Ų6365.5 Ų65.539%0.38736%0.364SS..  trans-66.8141.5172.752.70000110.4N152 F159 V165N152-T155 PolarHBondContact O-N 3.24Å; N152-T155 PolarHBondContact O-OG1 3.49Å; T155-F159 VanDerWaalsContact CA-O 3.3Å; T155-F159 WeakPolarHBondContact CA-O 3.47Å; T155-V165 HydrophobicContact CG2-CG2 4.22Å
156C90.8Very high92.4Very high46 Ų4666.7 Ų66.731%0.31136%0.358SS..  trans-151.2179.2178.270.90000110.4E158 F159 P160C156-E158 PolarHBondContact O-N 3.2Å; C156-F159 PolarHBondContact N-O 2.9Å; C156-F159 CarbonylContact O-C 3.52Å; C156-F159 PolarHBondContact O-N 3.18Å; C156-F159 PolarHBondContact SG-N 3.05Å; C156-P160 WeakPolarHBondContact O-CA 3.49Å; C156-P160 VanDerWaalsContact O-N 3.16Å
157T90.4Very high92.6Very high144 Ų14471.1 Ų71.188%0.88338%0.382SS*.SBendtrans-55.8-35.6177.947.90000112.9
158E89Confident92.7Very high80 Ų8065.6 Ų65.637%0.37436%0.356SS..SBendtrans-80.1-25.4177.1-59.8-158.3146.100113.9R129 C156R129-E158 WeakPolarHBondContact CA-OE2 3.5Å; R129-E158 WeakPolarHBondContact CB-OE2 3.4Å; R129-E158 WeakPolarHBondContact CG-OE2 3.4Å; C156-E158 PolarHBondContact O-N 3.2Å
159F93.7Very high92.8Very high4 Ų464 Ų642%0.01835%0.348CS..  trans-132.773.7-176.4-58.5-68000109.8L126 R129 A130 A133 L135 T155 C156 T161 S164 V165 A168L126-F159 HydrophobicContact CD1-CE1 3.64Å; L126-F159 HydrophobicContact CD1-CZ 4.16Å; R129-F159 HydrophobicContact CB-CE2 4.36Å; R129-F159 HydrophobicContact CB-CZ 3.93Å; A130-F159 HydrophobicContact CB-CE2 4.37Å; A130-F159 HydrophobicContact CB-CZ 4.07Å; A133-F159 HydrophobicContact CB-CD2 4.07Å; A133-F159 HydrophobicContact CB-CE2 3.87Å; L135-F159 HydrophobicContact CD1-CD2 3.83Å; L135-F159 HydrophobicContact CD1-CE2 3.97Å; L135-F159 HydrophobicContact CD1-CG 4.35Å; T155-F159 VanDerWaalsContact CA-O 3.3Å; T155-F159 WeakPolarHBondContact CA-O 3.47Å; C156-F159 PolarHBondContact N-O 2.9Å; C156-F159 CarbonylContact O-C 3.52Å; C156-F159 PolarHBondContact O-N 3.18Å; C156-F159 PolarHBondContact SG-N 3.05Å; F159-T161 PolarHBondContact O-N 3.41Å; F159-S164 WeakPolarHBondContact CA-OG 3.33Å; F159-S164 WeakPolarHBondContact CB-OG 3.23Å; F159-V165 HydrophobicContact CB-CG2 3.71Å; F159-A168 HydrophobicContact CD1-CB 3.84Å; F159-A168 HydrophobicContact CE1-CB 3.47Å; F159-A168 VanDerWaalsContact CE1-CB 3.47Å; F159-A168 HydrophobicContact CE2-CB 4.41Å; F159-A168 HydrophobicContact CG-CB 4.46Å; F159-A168 HydrophobicContact CZ-CB 3.79Å
160P92.1Very high92.9Very high97 Ų9763 Ų6363%0.6334%0.344SS*.  trans-72.4-14.2-167.927.4-35.2000113.9C156C156-P160 WeakPolarHBondContact O-CA 3.49Å; C156-P160 VanDerWaalsContact O-N 3.16Å
161T95.3Very high92.8Very high71 Ų7159 Ų5944%0.43632%0.323SS..SBendtrans-124.8150.6-178.3700000111.7F159 E163 S164 V165F159-T161 PolarHBondContact O-N 3.41Å; T161-E163 PolarHBondContact O-N 2.85Å; T161-E163 VanDerWaalsContact O-N 3.16Å; T161-S164 PolarHBondContact N-OG 3.25Å; T161-S164 VanDerWaalsContact N-OG 3.17Å; T161-S164 PolarHBondContact O-N 2.81Å; T161-S164 PolarHBondContact O-OG 3.22Å; T161-S164 WeakPolarHBondContact OG1-CB 3.29Å; T161-S164 PolarHBondContact OG1-N 2.9Å; T161-S164 VanDerWaalsContact OG1-N 3.15Å; T161-S164 PolarHBondContact OG1-OG 3.46Å; T161-V165 PolarHBondContact O-N 3.38Å; T161-V165 VanDerWaalsContact O-N 3.07Å
162A94.3Very high92.9Very high29 Ų2958.8 Ų58.824%0.2432%0.319CS..Hα-helixtrans-56-31.5174.500000113.1N152 R166N152-A162 WeakPolarHBondContact OD1-CB 3.17Å; A162-R166 WeakPolarHBondContact O-CB 3.4Å; A162-R166 PolarHBondContact O-N 3.26Å
163E94.2Very high92.9Very high144 Ų14454 Ų5467%0.67329%0.293SS*.Hα-helixtrans-67.2-43.9174.4-170.8175.4-168.500111.7T161 V165 R166 D167T161-E163 PolarHBondContact O-N 2.85Å; T161-E163 VanDerWaalsContact O-N 3.16Å; E163-V165 VanDerWaalsContact C-N 3.31Å; E163-V165 PolarHBondContact O-N 2.96Å; E163-R166 WeakPolarHBondContact O-CB 3.43Å; E163-R166 PolarHBondContact O-N 3.08Å; E163-R166 VanDerWaalsContact O-N 3.16Å; E163-D167 PolarHBondContact O-N 3.18Å
164S93.9Very high92.8Very high28 Ų2849.5 Ų49.520%0.19627%0.267CS..Hα-helixtrans-63.1-37.7176.971.70000112.4F159 T161 A168F159-S164 WeakPolarHBondContact CA-OG 3.33Å; F159-S164 WeakPolarHBondContact CB-OG 3.23Å; T161-S164 PolarHBondContact N-OG 3.25Å; T161-S164 VanDerWaalsContact N-OG 3.17Å; T161-S164 PolarHBondContact O-N 2.81Å; T161-S164 PolarHBondContact O-OG 3.22Å; T161-S164 WeakPolarHBondContact OG1-CB 3.29Å; T161-S164 PolarHBondContact OG1-N 2.9Å; T161-S164 VanDerWaalsContact OG1-N 3.15Å; T161-S164 PolarHBondContact OG1-OG 3.46Å; S164-A168 VanDerWaalsContact O-CB 3.31Å; S164-A168 WeakPolarHBondContact O-CB 3.29Å; S164-A168 PolarHBondContact O-N 2.93Å
165V94.8Very high92.6Very high0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-63.5-47.6172.1174.60000110.2L135 F149 F154 T155 F159 T161 E163 D167 A168 V169L135-V165 HydrophobicContact CD1-CG1 4.38Å; L135-V165 HydrophobicContact CD2-CG1 4.13Å; F149-V165 HydrophobicContact CE2-CG1 4.13Å; F154-V165 HydrophobicContact CB-CG1 3.87Å; F154-V165 VanDerWaalsContact O-CG2 3.32Å; F154-V165 WeakPolarHBondContact O-CG2 3.44Å; T155-V165 HydrophobicContact CG2-CG2 4.22Å; F159-V165 HydrophobicContact CB-CG2 3.71Å; T161-V165 PolarHBondContact O-N 3.38Å; T161-V165 VanDerWaalsContact O-N 3.07Å; E163-V165 VanDerWaalsContact C-N 3.31Å; E163-V165 PolarHBondContact O-N 2.96Å; V165-D167 VanDerWaalsContact C-N 3.32Å; V165-D167 PolarHBondContact O-N 2.97Å; V165-A168 WeakPolarHBondContact O-CB 3.23Å; V165-A168 PolarHBondContact O-N 3.31Å; V165-V169 HydrophobicContact CG1-CG2 4.26Å; V165-V169 WeakPolarHBondContact O-CG2 3.42Å; V165-V169 PolarHBondContact O-N 3.42Å
166R94.9Very high92.4Very high115 Ų11547.9 Ų47.943%0.43426%0.257SS..Hα-helixtrans-60-42179.2-177.8177.8-79.2-163.5-6.5111.6A162 E163 G170 E297 F301A162-R166 WeakPolarHBondContact O-CB 3.4Å; A162-R166 PolarHBondContact O-N 3.26Å; E163-R166 WeakPolarHBondContact O-CB 3.43Å; E163-R166 PolarHBondContact O-N 3.08Å; E163-R166 VanDerWaalsContact O-N 3.16Å; R166-G170 PolarHBondContact O-N 2.77Å; R166-E297 IonicContact NH2-OE1 3.33Å; R166-F301 HydrophobicContact CG-CD2 4.19Å; R166-F301 HydrophobicContact CG-CE2 3.35Å; R166-F301 HydrophobicContact CG-CZ 3.74Å; R166-F301 WeakPolarHBondContact O-CZ 3.38Å
167D93.2Very high92.4Very high95 Ų9545.7 Ų45.751%0.50824%0.242SC..Hα-helixtrans-63.8-41.6175.4-93.5-5.3000112.8E163 V165 G170 A171E163-D167 PolarHBondContact O-N 3.18Å; V165-D167 VanDerWaalsContact C-N 3.32Å; V165-D167 PolarHBondContact O-N 2.97Å; D167-G170 PolarHBondContact O-N 3.44Å; D167-A171 PolarHBondContact O-N 3.14Å
168A93.3Very high92.2Very high0 Ų039.6 Ų39.60%020%0.204CC..Hα-helixtrans-64.7-50.7177.200000111.9L126 A130 L135 F159 S164 V165 G170 A171 L172L126-A168 HydrophobicContact CD1-CB 4.39Å; A130-A168 HydrophobicContact CB-CB 3.8Å; L135-A168 HydrophobicContact CD1-CB 3.74Å; F159-A168 HydrophobicContact CD1-CB 3.84Å; F159-A168 HydrophobicContact CE1-CB 3.47Å; F159-A168 VanDerWaalsContact CE1-CB 3.47Å; F159-A168 HydrophobicContact CE2-CB 4.41Å; F159-A168 HydrophobicContact CG-CB 4.46Å; F159-A168 HydrophobicContact CZ-CB 3.79Å; S164-A168 VanDerWaalsContact O-CB 3.31Å; S164-A168 WeakPolarHBondContact O-CB 3.29Å; S164-A168 PolarHBondContact O-N 2.93Å; V165-A168 WeakPolarHBondContact O-CB 3.23Å; V165-A168 PolarHBondContact O-N 3.31Å; A168-G170 VanDerWaalsContact C-N 3.29Å; A168-G170 PolarHBondContact O-N 2.91Å; A168-A171 WeakPolarHBondContact O-CB 3.48Å; A168-A171 PolarHBondContact O-N 2.84Å; A168-L172 PolarHBondContact O-N 2.9Å; A168-L172 VanDerWaalsContact O-N 3.11Å
169V94.9Very high92Very high0 Ų038.4 Ų38.40%021%0.208CC..Hα-helixtrans-58.9-43.3174174.70000110.3L135 V138 A139 F149 V165 A171 L172 I173 F301L135-V169 HydrophobicContact CB-CG2 4.12Å; L135-V169 HydrophobicContact CD1-CG2 4.42Å; V138-V169 HydrophobicContact CB-CG2 4.4Å; V138-V169 HydrophobicContact CG1-CG1 4.49Å; V138-V169 HydrophobicContact CG1-CG2 4.14Å; A139-V169 HydrophobicContact CB-CG1 4.05Å; F149-V169 HydrophobicContact CD1-CG1 4.37Å; F149-V169 HydrophobicContact CE1-CB 4.14Å; F149-V169 HydrophobicContact CE1-CG1 3.57Å; F149-V169 HydrophobicContact CE1-CG2 4.39Å; F149-V169 HydrophobicContact CE2-CB 4.39Å; F149-V169 HydrophobicContact CE2-CG2 4.05Å; F149-V169 HydrophobicContact CZ-CB 3.74Å; F149-V169 HydrophobicContact CZ-CG1 3.71Å; F149-V169 HydrophobicContact CZ-CG2 3.88Å; V165-V169 HydrophobicContact CG1-CG2 4.26Å; V165-V169 WeakPolarHBondContact O-CG2 3.42Å; V165-V169 PolarHBondContact O-N 3.42Å; V169-A171 VanDerWaalsContact C-N 3.29Å; V169-A171 PolarHBondContact O-N 3.36Å; V169-L172 WeakPolarHBondContact O-CB 3.46Å; V169-L172 PolarHBondContact O-N 3.14Å; V169-I173 HydrophobicContact CG1-CD1 3.88Å; V169-I173 HydrophobicContact CG1-CG1 4.36Å; V169-I173 WeakPolarHBondContact O-CG1 3.39Å; V169-I173 PolarHBondContact O-N 2.96Å; V169-F301 HydrophobicContact CG1-CE1 4.14Å
170G93.8Very high91.7Very high1 Ų142.2 Ų42.21%0.0123%0.225CC..Hα-helixtrans-59.7-38175.100000112.6R166 D167 A168 I173 R174 C305R166-G170 PolarHBondContact O-N 2.77Å; D167-G170 PolarHBondContact O-N 3.44Å; A168-G170 VanDerWaalsContact C-N 3.29Å; A168-G170 PolarHBondContact O-N 2.91Å; G170-I173 PolarHBondContact O-N 3.45Å; G170-R174 VanDerWaalsContact O-CG 3.25Å; G170-R174 WeakPolarHBondContact O-CG 3.5Å; G170-R174 VanDerWaalsContact O-CZ 3.26Å; G170-R174 PolarHBondContact O-N 3.26Å; G170-R174 PolarHBondContact O-NH1 3.15Å; G170-C305 VanDerWaalsContact CA-SG 3.56Å
171A90.6Very high91.5Very high0 Ų041.8 Ų41.80%022%0.222CC..Hα-helixtrans-65-40.3176.700000112.4L126 K127 D167 A168 V169 R174 Q175L126-A171 HydrophobicContact CD2-CB 3.96Å; L126-A171 HydrophobicContact CG-CB 4.38Å; K127-A171 HydrophobicContact CG-CB 3.96Å; D167-A171 PolarHBondContact O-N 3.14Å; A168-A171 WeakPolarHBondContact O-CB 3.48Å; A168-A171 PolarHBondContact O-N 2.84Å; V169-A171 VanDerWaalsContact C-N 3.29Å; V169-A171 PolarHBondContact O-N 3.36Å; A171-R174 PolarHBondContact O-N 3.49Å; A171-Q175 PolarHBondContact O-N 3.23Å; A171-Q175 VanDerWaalsContact O-N 3.15Å
172L91.5Very high91.3Very high4 Ų440.1 Ų40.12%0.02121%0.213CC..Hα-helixtrans-66-45.3174.6-67.8172000111.5K127 A130 A131 L135 Q136 A139 A168 V169 R174 Q175 M176K127-L172 HydrophobicContact CB-CD2 4.14Å; A130-L172 HydrophobicContact CB-CD1 3.63Å; A130-L172 HydrophobicContact CB-CD2 4.36Å; A130-L172 HydrophobicContact CB-CG 3.95Å; A131-L172 HydrophobicContact CB-CD2 4.48Å; L135-L172 HydrophobicContact CB-CD1 4.02Å; Q136-L172 HydrophobicContact CB-CD1 4.5Å; A139-L172 HydrophobicContact CB-CB 3.68Å; A139-L172 HydrophobicContact CB-CD1 4.23Å; A168-L172 PolarHBondContact O-N 2.9Å; A168-L172 VanDerWaalsContact O-N 3.11Å; V169-L172 WeakPolarHBondContact O-CB 3.46Å; V169-L172 PolarHBondContact O-N 3.14Å; L172-R174 VanDerWaalsContact C-N 3.31Å; L172-R174 PolarHBondContact O-N 3.47Å; L172-Q175 WeakPolarHBondContact O-CB 3.48Å; L172-Q175 PolarHBondContact O-N 3.26Å; L172-Q175 VanDerWaalsContact O-N 3.13Å; L172-M176 VanDerWaalsContact O-CG 3.3Å; L172-M176 WeakPolarHBondContact O-CG 3.26Å; L172-M176 PolarHBondContact O-N 3.45Å
173I92.5Very high91.3Very high0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-57.1-45.6176.1-70.5169.7000110.8A139 C142 L143 V169 G170 Q175 M176 I177 F301 V302 C305A139-I173 HydrophobicContact CB-CG1 4.03Å; C142-I173 HydrophobicContact CB-CD1 4.28Å; L143-I173 HydrophobicContact CD1-CG2 4.38Å; V169-I173 HydrophobicContact CG1-CD1 3.88Å; V169-I173 HydrophobicContact CG1-CG1 4.36Å; V169-I173 WeakPolarHBondContact O-CG1 3.39Å; V169-I173 PolarHBondContact O-N 2.96Å; G170-I173 PolarHBondContact O-N 3.45Å; I173-Q175 VanDerWaalsContact C-N 3.33Å; I173-Q175 PolarHBondContact O-N 2.87Å; I173-M176 PolarHBondContact O-N 3.33Å; I173-I177 HydrophobicContact CG2-CD1 3.71Å; I173-I177 HydrophobicContact CG2-CG1 4.31Å; I173-I177 VanDerWaalsContact O-CG1 3.28Å; I173-I177 WeakPolarHBondContact O-CG1 3.47Å; I173-I177 PolarHBondContact O-N 3.42Å; I173-F301 HydrophobicContact CD1-CD1 4.13Å; I173-F301 HydrophobicContact CD1-CE1 3.6Å; I173-V302 HydrophobicContact CD1-CG2 4.27Å; I173-V302 HydrophobicContact CG2-CG1 4.44Å; I173-C305 HydrophobicContact CG2-CB 3.99Å
174R90.9Very high91Very high39 Ų3936 Ų3615%0.14719%0.187CC..Hα-helixtrans-60.3-41.8177.3-68.2-176.1-68.9-895.4112.4G170 A171 L172 I177 L178 C305 C309G170-R174 VanDerWaalsContact O-CG 3.25Å; G170-R174 WeakPolarHBondContact O-CG 3.5Å; G170-R174 VanDerWaalsContact O-CZ 3.26Å; G170-R174 PolarHBondContact O-N 3.26Å; G170-R174 PolarHBondContact O-NH1 3.15Å; A171-R174 PolarHBondContact O-N 3.49Å; L172-R174 VanDerWaalsContact C-N 3.31Å; L172-R174 PolarHBondContact O-N 3.47Å; R174-I177 PolarHBondContact O-N 2.85Å; R174-L178 WeakPolarHBondContact O-CG 3.37Å; R174-L178 PolarHBondContact O-N 3.3Å; R174-L178 VanDerWaalsContact O-N 3.14Å; R174-C305 HydrophobicContact CG-CB 4.26Å; R174-C305 WeakPolarHBondContact CG-O 3.28Å; R174-C309 HydrophobicContact CB-CB 4.2Å; R174-C309 HydrophobicContact CG-CB 3.82Å
175Q87Confident90.9Very high69 Ų6938.4 Ų38.432%0.32220%0.199SC..Hα-helixtrans-61.9-47174.6-179-176.112.300111.1K127 A171 L172 I173 I177 L178 A179K127-Q175 HydrophobicContact CD-CB 4.1Å; K127-Q175 HydrophobicContact CD-CG 4.41Å; A171-Q175 PolarHBondContact O-N 3.23Å; A171-Q175 VanDerWaalsContact O-N 3.15Å; L172-Q175 WeakPolarHBondContact O-CB 3.48Å; L172-Q175 PolarHBondContact O-N 3.26Å; L172-Q175 VanDerWaalsContact O-N 3.13Å; I173-Q175 VanDerWaalsContact C-N 3.33Å; I173-Q175 PolarHBondContact O-N 2.87Å; Q175-I177 VanDerWaalsContact C-N 3.33Å; Q175-I177 PolarHBondContact O-N 3.29Å; Q175-L178 PolarHBondContact O-N 3.3Å; Q175-A179 PolarHBondContact O-N 2.88Å; Q175-A179 VanDerWaalsContact O-N 3.08Å
176M88.9Confident91Very high40 Ų4038.7 Ų38.720%0.19720%0.2CC..Hα-helixtrans-61.2-41.9179.4-69.6178.671.100112.1A139 K140 L143 L172 I173 A179 K180A139-M176 HydrophobicContact CB-SD 4.2Å; K140-M176 HydrophobicContact CB-CE 4.21Å; K140-M176 HydrophobicContact CG-CE 3.45Å; K140-M176 VanDerWaalsContact CG-CE 3.45Å; K140-M176 HydrophobicContact CG-SD 4.05Å; L143-M176 HydrophobicContact CD2-CB 3.79Å; L143-M176 HydrophobicContact CD2-CE 4.11Å; L143-M176 HydrophobicContact CD2-SD 4.43Å; L172-M176 VanDerWaalsContact O-CG 3.3Å; L172-M176 WeakPolarHBondContact O-CG 3.26Å; L172-M176 PolarHBondContact O-N 3.45Å; I173-M176 PolarHBondContact O-N 3.33Å; M176-A179 PolarHBondContact O-N 3.28Å; M176-K180 WeakPolarHBondContact O-CG 3.43Å; M176-K180 PolarHBondContact O-N 3.02Å
177I90.6Very high90.9Very high0 Ų034.2 Ų34.20%018%0.184CC..Hα-helixtrans-58.8-50.7175.9-72.4167000110.6L143 I173 R174 Q175 A179 K180 I183 F282 T286 L289 S306L143-I177 HydrophobicContact CD1-CG1 4.32Å; L143-I177 HydrophobicContact CD2-CG1 4.3Å; I173-I177 HydrophobicContact CG2-CD1 3.71Å; I173-I177 HydrophobicContact CG2-CG1 4.31Å; I173-I177 VanDerWaalsContact O-CG1 3.28Å; I173-I177 WeakPolarHBondContact O-CG1 3.47Å; I173-I177 PolarHBondContact O-N 3.42Å; R174-I177 PolarHBondContact O-N 2.85Å; Q175-I177 VanDerWaalsContact C-N 3.33Å; Q175-I177 PolarHBondContact O-N 3.29Å; I177-A179 PolarHBondContact O-N 2.88Å; I177-K180 WeakPolarHBondContact O-CB 3.39Å; I177-K180 PolarHBondContact O-N 3.48Å; I177-K180 VanDerWaalsContact O-N 3.08Å; I177-I183 HydrophobicContact CG2-CD1 4.36Å; I177-I183 HydrophobicContact CG2-CG1 4.12Å; I177-I183 WeakPolarHBondContact O-CG1 3.5Å; I177-F282 HydrophobicContact CG2-CZ 3.85Å; I177-T286 HydrophobicContact CD1-CG2 4.38Å; I177-T286 HydrophobicContact CG2-CG2 3.54Å; I177-L289 HydrophobicContact CG1-CD1 4.16Å; I177-L289 HydrophobicContact CG2-CD1 4.47Å; I177-S306 WeakPolarHBondContact CD1-OG 3.44Å
178L86.7Confident90.8Very high15 Ų1534.2 Ų34.28%0.07918%0.181CC..Hα-helixtrans-63.5-27.8-178.8-69.7172.9000113R174 Q175 K180 V313 V314R174-L178 WeakPolarHBondContact O-CG 3.37Å; R174-L178 PolarHBondContact O-N 3.3Å; R174-L178 VanDerWaalsContact O-N 3.14Å; Q175-L178 PolarHBondContact O-N 3.3Å; L178-K180 VanDerWaalsContact C-N 3.32Å; L178-V313 HydrophobicContact CD1-CG1 4.07Å; L178-V314 HydrophobicContact CD2-CG2 3.67Å
179A84.8Confident90.9Very high56 Ų5640.5 Ų40.546%0.46321%0.205SC..Hα-helixtrans-75.8-16.4177.100000113.5Q175 M176 I177Q175-A179 PolarHBondContact O-N 2.88Å; Q175-A179 VanDerWaalsContact O-N 3.08Å; M176-A179 PolarHBondContact O-N 3.28Å; I177-A179 PolarHBondContact O-N 2.88Å
180K87.9Confident90.9Very high83 Ų8340.6 Ų40.636%0.36121%0.206SC..  trans-68.6133.3-176.4-68-63.5-176.9174.40112M176 I177 L178 S182 I183 K184 L289M176-K180 WeakPolarHBondContact O-CG 3.43Å; M176-K180 PolarHBondContact O-N 3.02Å; I177-K180 WeakPolarHBondContact O-CB 3.39Å; I177-K180 PolarHBondContact O-N 3.48Å; I177-K180 VanDerWaalsContact O-N 3.08Å; L178-K180 VanDerWaalsContact C-N 3.32Å; K180-S182 VanDerWaalsContact C-N 3.31Å; K180-S182 PolarHBondContact O-N 3.05Å; K180-I183 HydrophobicContact CB-CB 4.35Å; K180-I183 HydrophobicContact CB-CG1 4.02Å; K180-I183 PolarHBondContact O-N 3.06Å; K180-I183 VanDerWaalsContact O-N 3.11Å; K180-K184 PolarHBondContact O-N 3.33Å; K180-L289 HydrophobicContact CB-CD1 4.38Å; K180-L289 HydrophobicContact CB-CD2 4.2Å; K180-L289 HydrophobicContact CD-CD2 4.21Å; K180-L289 HydrophobicContact CG-CD1 3.81Å; K180-L289 HydrophobicContact CG-CD2 3.81Å; K180-L289 HydrophobicContact CG-CG 4.45Å
181P87.3Confident90.8Very high89 Ų8941 Ų4158%0.57821%0.207SC*.Hα-helixtrans-57.1-40.1177-26.734.6000113.6I183 K184 N185P181-I183 VanDerWaalsContact C-N 3.26Å; P181-I183 PolarHBondContact O-N 2.97Å; P181-K184 PolarHBondContact O-N 2.8Å; P181-N185 WeakPolarHBondContact O-CB 3.36Å; P181-N185 PolarHBondContact O-N 3.36Å; P181-N185 PolarHBondContact O-OD1 3.24Å
182S92.5Very high90.9Very high36 Ų3648.1 Ų48.125%0.25224%0.24SC..Hα-helixtrans-59.1-38.3177.755.90000112.6K180 L186 E285K180-S182 VanDerWaalsContact C-N 3.31Å; K180-S182 PolarHBondContact O-N 3.05Å; S182-L186 WeakPolarHBondContact O-CB 3.4Å; S182-L186 PolarHBondContact O-N 2.7Å; S182-E285 WeakPolarHBondContact CB-OE1 3.42Å
183I93.3Very high91Very high0 Ų053.8 Ų53.80%026%0.261CS..Hα-helixtrans-70.5-47.2176.4-61.4-64.1000110.2I177 K180 P181 N185 L186 L187 F282 E285 T286 L289I177-I183 HydrophobicContact CG2-CD1 4.36Å; I177-I183 HydrophobicContact CG2-CG1 4.12Å; I177-I183 WeakPolarHBondContact O-CG1 3.5Å; K180-I183 HydrophobicContact CB-CB 4.35Å; K180-I183 HydrophobicContact CB-CG1 4.02Å; K180-I183 PolarHBondContact O-N 3.06Å; K180-I183 VanDerWaalsContact O-N 3.11Å; P181-I183 VanDerWaalsContact C-N 3.26Å; P181-I183 PolarHBondContact O-N 2.97Å; I183-N185 VanDerWaalsContact C-N 3.33Å; I183-N185 PolarHBondContact O-N 3.43Å; I183-L186 WeakPolarHBondContact O-CB 3.3Å; I183-L186 PolarHBondContact O-N 2.98Å; I183-L186 VanDerWaalsContact O-N 3.12Å; I183-L187 HydrophobicContact CG2-CD1 4.47Å; I183-L187 HydrophobicContact CG2-CG 4.39Å; I183-L187 VanDerWaalsContact O-CG 3.32Å; I183-L187 WeakPolarHBondContact O-CG 3.34Å; I183-L187 PolarHBondContact O-N 3.13Å; I183-F282 HydrophobicContact CD1-CE2 4.4Å; I183-F282 HydrophobicContact CG2-CE2 3.79Å; I183-E285 HydrophobicContact CD1-CB 3.9Å; I183-E285 HydrophobicContact CD1-CG 3.73Å; I183-T286 HydrophobicContact CD1-CG2 3.77Å; I183-L289 HydrophobicContact CD1-CD1 4.44Å; I183-L289 HydrophobicContact CG1-CD1 4.19Å
184K88.7Confident91Very high85 Ų8553.8 Ų53.837%0.3726%0.262SS..Hα-helixtrans-54.8-49.4175.5-66.9-177.7-179.9-176.90111.5K180 P181 L186 L187 E188K180-K184 PolarHBondContact O-N 3.33Å; P181-K184 PolarHBondContact O-N 2.8Å; K184-L186 VanDerWaalsContact C-N 3.32Å; K184-L186 PolarHBondContact O-N 3.31Å; K184-L187 PolarHBondContact O-N 3.35Å; K184-L187 VanDerWaalsContact O-N 3.1Å; K184-E188 PolarHBondContact O-N 3.44Å
185N91.9Very high91Very high80 Ų8053.7 Ų53.743%0.42827%0.266SS..Hα-helixtrans-60-40.2177.1-66.3-7.9000112P181 I183 E188 R189P181-N185 WeakPolarHBondContact O-CB 3.36Å; P181-N185 PolarHBondContact O-N 3.36Å; P181-N185 PolarHBondContact O-OD1 3.24Å; I183-N185 VanDerWaalsContact C-N 3.33Å; I183-N185 PolarHBondContact O-N 3.43Å; N185-E188 PolarHBondContact O-N 3.42Å; N185-R189 WeakPolarHBondContact O-CG 3.23Å; N185-R189 PolarHBondContact O-N 2.73Å
186L95.3Very high91.3Very high6 Ų653.3 Ų53.33%0.03127%0.271CS..Hα-helixtrans-60.7-47.3174.1173.567.2000111.5S182 I183 K184 E188 R189 I190 E281 E285S182-L186 WeakPolarHBondContact O-CB 3.4Å; S182-L186 PolarHBondContact O-N 2.7Å; I183-L186 WeakPolarHBondContact O-CB 3.3Å; I183-L186 PolarHBondContact O-N 2.98Å; I183-L186 VanDerWaalsContact O-N 3.12Å; K184-L186 VanDerWaalsContact C-N 3.32Å; K184-L186 PolarHBondContact O-N 3.31Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 2.88Å; L186-R189 PolarHBondContact O-N 3.07Å; L186-I190 HydrophobicContact CD1-CD1 4Å; L186-I190 HydrophobicContact CD1-CG1 4.24Å; L186-I190 HydrophobicContact CD2-CD1 4.49Å; L186-I190 HydrophobicContact CG-CD1 3.94Å; L186-I190 WeakPolarHBondContact O-CG1 3.37Å; L186-I190 PolarHBondContact O-N 2.79Å; L186-E281 HydrophobicContact CD1-CB 4.37Å; L186-E285 HydrophobicContact CB-CG 4.41Å; L186-E285 HydrophobicContact CD2-CB 3.66Å; L186-E285 HydrophobicContact CD2-CG 4.06Å
187L93.3Very high91.6Very high20 Ų2055.9 Ų55.911%0.10528%0.279CS..Hα-helixtrans-62.6-40.9-178.8-61.8-170.3000111.4I183 K184 I190 E191 F282 V314 L318I183-L187 HydrophobicContact CG2-CD1 4.47Å; I183-L187 HydrophobicContact CG2-CG 4.39Å; I183-L187 VanDerWaalsContact O-CG 3.32Å; I183-L187 WeakPolarHBondContact O-CG 3.34Å; I183-L187 PolarHBondContact O-N 3.13Å; K184-L187 PolarHBondContact O-N 3.35Å; K184-L187 VanDerWaalsContact O-N 3.1Å; L187-I190 PolarHBondContact O-N 3.09Å; L187-E191 WeakPolarHBondContact O-CB 3.3Å; L187-E191 PolarHBondContact O-N 3.45Å; L187-F282 HydrophobicContact CD2-CD2 4.3Å; L187-V314 HydrophobicContact CD1-CG1 4.13Å; L187-V314 HydrophobicContact CD2-CG1 3.37Å; L187-V314 HydrophobicContact CG-CG1 4.4Å; L187-L318 HydrophobicContact CB-CD2 4.13Å; L187-L318 HydrophobicContact CD2-CD1 4.1Å; L187-L318 HydrophobicContact CD2-CG 4.47Å; L187-L318 WeakPolarHBondContact O-CD2 3.49Å
188E90.7Very high91.9Very high95 Ų9555.9 Ų55.944%0.44428%0.279SS..Hα-helixtrans-62.8-45.2175-73.1173.6-169.700112.2K184 N185 L186 I190 E191 Q192K184-E188 PolarHBondContact O-N 3.44Å; N185-E188 PolarHBondContact O-N 3.42Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 2.88Å; E188-I190 VanDerWaalsContact C-N 3.34Å; E188-I190 PolarHBondContact O-N 3.13Å; E188-E191 WeakPolarHBondContact O-CB 3.15Å; E188-E191 PolarHBondContact O-N 3.46Å; E188-Q192 WeakPolarHBondContact O-CG 3.14Å; E188-Q192 PolarHBondContact O-N 2.96Å
189R95.1Very high92.4Very high132 Ų13258.6 Ų58.650%0.49829%0.29SS..Hα-helixtrans-60-43.6175.2-74.2-169.4-54-113.81.2112N185 L186 E191 Q192 R193N185-R189 WeakPolarHBondContact O-CG 3.23Å; N185-R189 PolarHBondContact O-N 2.73Å; L186-R189 PolarHBondContact O-N 3.07Å; R189-E191 VanDerWaalsContact C-N 3.33Å; R189-Q192 PolarHBondContact O-N 3.25Å; R189-R193 WeakPolarHBondContact O-CB 3.41Å; R189-R193 PolarHBondContact O-N 3.07Å
190I95.2Very high93Very high2 Ų256 Ų561%0.0127%0.268CS..Hα-helixtrans-61.1-45176.1-72.3172.1000110.2L186 L187 E188 Q192 R193 D194 W278 L318L186-I190 HydrophobicContact CD1-CD1 4Å; L186-I190 HydrophobicContact CD1-CG1 4.24Å; L186-I190 HydrophobicContact CD2-CD1 4.49Å; L186-I190 HydrophobicContact CG-CD1 3.94Å; L186-I190 WeakPolarHBondContact O-CG1 3.37Å; L186-I190 PolarHBondContact O-N 2.79Å; L187-I190 PolarHBondContact O-N 3.09Å; E188-I190 VanDerWaalsContact C-N 3.34Å; E188-I190 PolarHBondContact O-N 3.13Å; I190-Q192 VanDerWaalsContact C-N 3.3Å; I190-Q192 PolarHBondContact O-N 2.97Å; I190-R193 PolarHBondContact O-N 3.45Å; I190-D194 HydrophobicContact CG2-CB 4.5Å; I190-D194 WeakPolarHBondContact O-CB 3.5Å; I190-D194 PolarHBondContact O-N 3.03Å; I190-W278 HydrophobicContact CG2-CD2 3.85Å; I190-W278 HydrophobicContact CG2-CG 4.2Å; I190-W278 HydrophobicContact CG2-CH2 4.24Å; I190-W278 HydrophobicContact CG2-CZ2 3.53Å; I190-L318 HydrophobicContact CG2-CD1 3.92Å; I190-L318 HydrophobicContact CG2-CD2 4.43Å
191E92.1Very high93.5Very high9 Ų953.3 Ų53.34%0.04226%0.259CS..Hα-helixtrans-61.6-37.1179.5-168.8-176.8166.500112.6L187 E188 R189 P195 L318 R321 L322 K325L187-E191 WeakPolarHBondContact O-CB 3.3Å; L187-E191 PolarHBondContact O-N 3.45Å; E188-E191 WeakPolarHBondContact O-CB 3.15Å; E188-E191 PolarHBondContact O-N 3.46Å; R189-E191 VanDerWaalsContact C-N 3.33Å; E191-P195 WeakPolarHBondContact O-CD 3.44Å; E191-P195 WeakPolarHBondContact O-CG 3.46Å; E191-L318 HydrophobicContact CB-CD2 4.38Å; E191-R321 IonicContact OE1-NE 3.92Å; E191-R321 IonicContact OE1-NH2 3.19Å; E191-R321 IonicContact OE2-CZ 2.8Å; E191-R321 VanDerWaalsContact OE2-CZ 3.23Å; E191-R321 IonicContact OE2-NE 3.36Å; E191-R321 PolarHBondContact OE2-NE 3.29Å; E191-R321 IonicContact OE2-NH2 3.31Å; E191-R321 PolarHBondContact OE2-NH2 3.12Å; E191-L322 HydrophobicContact CG-CD2 3.78Å; E191-L322 HydrophobicContact CG-CG 4.34Å; E191-L322 WeakPolarHBondContact O-CD2 3.12Å; E191-K325 WeakPolarHBondContact OE1-CD 3.43Å; E191-K325 WeakPolarHBondContact OE1-CE 3.44Å; E191-K325 IonicContact OE1-NZ 3.73Å; E191-K325 PolarHBondContact OE1-NZ 3.33Å
192Q91.8Very high93.9Very high150 Ų15049.1 Ų49.170%0.70123%0.231SC*.Hα-helixtrans-75.3-42.5177.3-68.9173.13.900112.4E188 R189 I190 P195E188-Q192 WeakPolarHBondContact O-CG 3.14Å; E188-Q192 PolarHBondContact O-N 2.96Å; R189-Q192 PolarHBondContact O-N 3.25Å; I190-Q192 VanDerWaalsContact C-N 3.3Å; I190-Q192 PolarHBondContact O-N 2.97Å; Q192-P195 WeakPolarHBondContact O-CD 3.44Å
193R93.9Very high94Very high123 Ų12349.6 Ų49.646%0.46423%0.231SC..Hα-helixtrans-76.9-41.5-173.1-171.9-172.569.9-165.9-5.4113.4R189 I190 E281R189-R193 WeakPolarHBondContact O-CB 3.41Å; R189-R193 PolarHBondContact O-N 3.07Å; I190-R193 PolarHBondContact O-N 3.45Å; R193-E281 IonicContact CZ-OE1 3.9Å; R193-E281 IonicContact CZ-OE2 2.74Å; R193-E281 VanDerWaalsContact CZ-OE2 3.31Å; R193-E281 IonicContact NH1-OE1 3.31Å; R193-E281 IonicContact NH1-OE2 3.91Å; R193-E281 PolarHBondContact NH1-OE2 3Å; R193-E281 VanDerWaalsContact NH2-CD 3.3Å; R193-E281 IonicContact NH2-OE1 2.8Å; R193-E281 PolarHBondContact NH2-OE1 2.95Å; R193-E281 IonicContact NH2-OE2 2.73Å; R193-E281 PolarHBondContact NH2-OE2 2.96Å
194D92.3Very high93.9Very high1 Ų150 Ų501%0.00523%0.234CC..  trans-102.212.2-162.4-62.6-22.9000118.4I190 S196 R197 V198 W278I190-D194 HydrophobicContact CG2-CB 4.5Å; I190-D194 WeakPolarHBondContact O-CB 3.5Å; I190-D194 PolarHBondContact O-N 3.03Å; D194-S196 PolarHBondContact O-N 2.91Å; D194-R197 HydrophobicContact CB-CB 4.27Å; D194-R197 PolarHBondContact O-N 3.3Å; D194-R197 VanDerWaalsContact OD1-CD 3.27Å; D194-R197 WeakPolarHBondContact OD1-CD 3.29Å; D194-R197 IonicContact OD1-CZ 3.99Å; D194-R197 IonicContact OD1-NE 2.62Å; D194-R197 IonicContact OD1-NH1 2.92Å; D194-R197 PolarHBondContact OD1-NH1 3.42Å; D194-R197 IonicContact OD2-NH1 2.84Å; D194-R197 PolarHBondContact OD2-NH1 3.47Å; D194-R197 VanDerWaalsContact OD2-NH1 3.14Å; D194-V198 PolarHBondContact O-N 2.84Å; D194-W278 HydrophobicContact CB-CZ2 3.96Å; D194-W278 PolarHBondContact OD2-NE1 3.45Å
195P91.1Very high93.9Very high36 Ų3647.5 Ų47.523%0.23423%0.225CC..THydrogen-bonded Turntrans-52.8-32.1176-25.732.2000114.5E191 Q192 S249 L322E191-P195 WeakPolarHBondContact O-CD 3.44Å; E191-P195 WeakPolarHBondContact O-CG 3.46Å; Q192-P195 WeakPolarHBondContact O-CD 3.44Å; P195-S249 PolarHBondContact O-N 3.46Å; P195-L322 HydrophobicContact CB-CD2 4.27Å; P195-L322 HydrophobicContact CG-CD2 3.87Å
196S94.2Very high93.6Very high61 Ų6147.1 Ų47.143%0.42723%0.233SC..THydrogen-bonded Turntrans-77.8-18.3177.758.70000114.2D194 S247 S249D194-S196 PolarHBondContact O-N 2.91Å; S196-S247 WeakPolarHBondContact O-CB 3.46Å; S196-S249 WeakPolarHBondContact CA-OG 3.26Å; S196-S249 WeakPolarHBondContact CB-OG 3.46Å
197R95.9Very high93Very high95 Ų9550.2 Ų50.236%0.35826%0.255SS..THydrogen-bonded Turntrans-98.1-8.1-177.5-6017264.5-152.93.3112.8D194 P275 S277D194-R197 HydrophobicContact CB-CB 4.27Å; D194-R197 PolarHBondContact O-N 3.3Å; D194-R197 VanDerWaalsContact OD1-CD 3.27Å; D194-R197 WeakPolarHBondContact OD1-CD 3.29Å; D194-R197 IonicContact OD1-CZ 3.99Å; D194-R197 IonicContact OD1-NE 2.62Å; D194-R197 IonicContact OD1-NH1 2.92Å; D194-R197 PolarHBondContact OD1-NH1 3.42Å; D194-R197 IonicContact OD2-NH1 2.84Å; D194-R197 PolarHBondContact OD2-NH1 3.47Å; D194-R197 VanDerWaalsContact OD2-NH1 3.14Å; R197-P275 HydrophobicContact CB-CG 3.54Å; R197-S277 PolarHBondContact NH1-OG 2.86Å; R197-S277 PolarHBondContact NH2-OG 3.15Å
198V96.6Very high92.5Very high0 Ų049.7 Ų49.70%025%0.253CS..PPolyproline II helixtrans-92.8119.6172.6-177.50000109.4D194 S247 I248 F272 T273 V274 W278 L322D194-V198 PolarHBondContact O-N 2.84Å; V198-S247 CarbonylContact O-C 3.55Å; V198-S247 WeakPolarHBondContact O-CA 3.38Å; V198-I248 HydrophobicContact CB-CD1 3.91Å; V198-I248 HydrophobicContact CB-CG1 4.32Å; V198-I248 HydrophobicContact CG1-CD1 3.45Å; V198-I248 VanDerWaalsContact CG1-CD1 3.45Å; V198-I248 HydrophobicContact CG1-CG1 4.11Å; V198-I248 PolarHBondContact O-N 3.43Å; V198-F272 HydrophobicContact CG1-CD1 4.24Å; V198-T273 WeakPolarHBondContact CA-O 3.38Å; V198-V274 HydrophobicContact CG1-CG1 4.24Å; V198-V274 HydrophobicContact CG2-CG1 4.32Å; V198-W278 HydrophobicContact CG2-CH2 3.51Å; V198-W278 HydrophobicContact CG2-CZ2 3.4Å; V198-L322 HydrophobicContact CB-CD1 4.26Å; V198-L322 HydrophobicContact CG2-CD1 3.63Å
199F97.4Very high92Very high72 Ų7249.4 Ų49.432%0.31625%0.252SS..EExtended strand (participates in β ladder)trans-101.7131.6178.9-71.9-98.6000110.7R245 S246 F272 T273F199-R245 HydrophobicContact CB-CG 4.48Å; F199-R245 HydrophobicContact CD1-CG 4.21Å; F199-S246 CarbonylContact C-O 3.52Å; F199-S246 WeakPolarHBondContact CA-O 3.49Å; F199-F272 WeakPolarHBondContact O-CA 3.5Å; F199-T273 PolarHBondContact N-O 3.39Å; F199-T273 PolarHBondContact O-N 2.77Å
200V97.3Very high91.4Very high0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-88.9130.4163.669.90000108.6V202 R245 S246 L251 K270 Q271 F272 W323V200-V202 HydrophobicContact CG2-CG2 3.92Å; V200-R245 VanDerWaalsContact O-CA 3.32Å; V200-R245 WeakPolarHBondContact O-CA 3.42Å; V200-S246 PolarHBondContact N-O 2.65Å; V200-S246 PolarHBondContact O-N 2.81Å; V200-S246 VanDerWaalsContact O-N 3.11Å; V200-L251 HydrophobicContact CG1-CD1 3.75Å; V200-L251 HydrophobicContact CG1-CD2 4.18Å; V200-L251 HydrophobicContact CG1-CG 4.41Å; V200-K270 HydrophobicContact CG2-CB 4.04Å; V200-Q271 WeakPolarHBondContact CA-O 3.47Å; V200-F272 HydrophobicContact CB-CD1 4.12Å; V200-F272 HydrophobicContact CB-CE1 3.9Å; V200-F272 HydrophobicContact CG2-CD1 4.23Å; V200-F272 HydrophobicContact CG2-CE1 3.8Å; V200-F272 HydrophobicContact CG2-CZ 4.25Å; V200-W323 HydrophobicContact CB-CZ3 4.28Å; V200-W323 HydrophobicContact CG1-CZ3 4.31Å; V200-W323 HydrophobicContact CG2-CZ3 4.13Å
201T97.4Very high90.6Very high28 Ų2854.3 Ų54.317%0.17227%0.273CS..EExtended strand (participates in β ladder)trans-113.4126.5168.6-57.30000108F244 K270 Q271T201-F244 CarbonylContact C-O 3.47Å; T201-F244 WeakPolarHBondContact CA-O 3.34Å; T201-K270 CarbonylContact O-C 3.55Å; T201-K270 WeakPolarHBondContact O-CA 3.26Å; T201-Q271 PolarHBondContact N-O 2.7Å; T201-Q271 PolarHBondContact O-N 3.31Å
202V96.4Very high89.7Confident0 Ų054.6 Ų54.60%028%0.277CS..EExtended strand (participates in β ladder)trans-118.3130.4-176.8-173.10000108.7V200 Y241 K243 F244 I259 L268 K269 K270V200-V202 HydrophobicContact CG2-CG2 3.92Å; V202-Y241 CarbonylContact C-O 3.28Å; V202-Y241 WeakPolarHBondContact CG1-O 3.45Å; V202-Y241 VanDerWaalsContact O-O 3.11Å; V202-K243 CarbonylContact O-C 3.58Å; V202-K243 WeakPolarHBondContact O-CA 3.38Å; V202-K243 PolarHBondContact O-N 3.1Å; V202-F244 HydrophobicContact CB-CB 4.36Å; V202-F244 HydrophobicContact CG2-CD1 4.3Å; V202-F244 PolarHBondContact N-O 3.49Å; V202-F244 PolarHBondContact O-N 3.23Å; V202-I259 HydrophobicContact CG2-CD1 3.9Å; V202-I259 HydrophobicContact CG2-CG1 4.07Å; V202-I259 HydrophobicContact CG2-CG2 4Å; V202-L268 HydrophobicContact CG1-CB 4.01Å; V202-L268 HydrophobicContact CG1-CD1 3.92Å; V202-L268 HydrophobicContact CG1-CD2 4.08Å; V202-L268 HydrophobicContact CG1-CG 4.23Å; V202-K269 WeakPolarHBondContact CA-O 3.46Å; V202-K270 HydrophobicContact CG2-CB 4.29Å
203N93.9Very high89Confident46 Ų4654.9 Ų54.925%0.24628%0.276CS..EExtended strand (participates in β ladder)trans-131.5155.6177.6-71.6-63.6000109.7K243 L268 K269N203-K243 WeakPolarHBondContact OD1-CA 3.49Å; N203-K243 PolarHBondContact OD1-N 3.34Å; N203-L268 CarbonylContact O-C 3.56Å; N203-L268 WeakPolarHBondContact O-CA 3.32Å; N203-K269 PolarHBondContact N-O 2.86Å; N203-K269 PolarHBondContact O-N 3.26Å
204A91.6Very high88.2Confident8 Ų855 Ų557%0.06628%0.282CS..EExtended strand (participates in β ladder)trans-56.7142.5162.900000109.4T208 Q209 F242A204-T208 HydrophobicContact CB-CG2 4.18Å; A204-Q209 HydrophobicContact CB-CG 3.57Å; A204-Q209 PolarHBondContact O-NE2 3.16Å; A204-F242 HydrophobicContact CB-CD1 3.58Å; A204-F242 HydrophobicContact CB-CE1 3.65Å; A204-F242 HydrophobicContact CB-CG 4.07Å; A204-F242 HydrophobicContact CB-CZ 4.21Å
205N89.3Confident87.3Confident33 Ų3356.6 Ų56.618%0.17629%0.289CS..  trans-66.6173.6170.283.4-24.5000110.7S207 T208 Q209 K266 V267N205-S207 PolarHBondContact ND2-OG 3.43Å; N205-S207 PolarHBondContact O-N 3.18Å; N205-S207 PolarHBondContact OD1-N 3.15Å; N205-S207 PolarHBondContact OD1-OG 3.08Å; N205-T208 PolarHBondContact O-N 2.92Å; N205-T208 WeakPolarHBondContact OD1-CA 3.42Å; N205-T208 WeakPolarHBondContact OD1-CB 3.49Å; N205-T208 PolarHBondContact OD1-N 3.19Å; N205-T208 PolarHBondContact OD1-OG1 2.97Å; N205-Q209 WeakPolarHBondContact O-CB 3.42Å; N205-Q209 VanDerWaalsContact O-CG 3.26Å; N205-Q209 WeakPolarHBondContact O-CG 3.42Å; N205-Q209 PolarHBondContact O-N 3.44Å; N205-K266 VanDerWaalsContact CB-O 3.3Å; N205-K266 WeakPolarHBondContact CB-O 3.37Å; N205-K266 PolarHBondContact ND2-O 2.92Å; N205-V267 PolarHBondContact N-O 3.4Å; N205-V267 PolarHBondContact OD1-O 3.49Å
206A85.6Confident86.4Confident73 Ų7362.8 Ų62.860%0.60331%0.312SS*.Hα-helixtrans-59.9-40.9-177.400000113.5R210A206-R210 PolarHBondContact O-N 3Å
207S81.8Confident85.5Confident70 Ų7063.7 Ų63.749%0.4932%0.324SS..Hα-helixtrans-69.9-42.6-179.261.40000112.5N205 Q209 R210 L211N205-S207 PolarHBondContact ND2-OG 3.43Å; N205-S207 PolarHBondContact O-N 3.18Å; N205-S207 PolarHBondContact OD1-N 3.15Å; N205-S207 PolarHBondContact OD1-OG 3.08Å; S207-Q209 VanDerWaalsContact C-N 3.34Å; S207-R210 PolarHBondContact O-N 3.26Å; S207-L211 PolarHBondContact O-N 3.16Å
208T82Confident84.2Confident10 Ų1066.8 Ų66.86%0.06134%0.343CS..Hα-helixtrans-70-32177.3-49.30000111.2A204 N205 R210 L211 A212 Y235 F242 V267A204-T208 HydrophobicContact CB-CG2 4.18Å; N205-T208 PolarHBondContact O-N 2.92Å; N205-T208 WeakPolarHBondContact OD1-CA 3.42Å; N205-T208 WeakPolarHBondContact OD1-CB 3.49Å; N205-T208 PolarHBondContact OD1-N 3.19Å; N205-T208 PolarHBondContact OD1-OG1 2.97Å; T208-R210 VanDerWaalsContact C-N 3.31Å; T208-R210 PolarHBondContact O-N 3.43Å; T208-L211 PolarHBondContact O-N 2.79Å; T208-A212 VanDerWaalsContact O-CB 3.27Å; T208-A212 WeakPolarHBondContact O-CB 3.39Å; T208-A212 PolarHBondContact O-N 3.38Å; T208-Y235 HydrophobicContact CG2-CD2 4.21Å; T208-F242 HydrophobicContact CG2-CE1 4.22Å; T208-F242 HydrophobicContact CG2-CZ 3.75Å; T208-V267 HydrophobicContact CG2-CG1 3.77Å
209Q81Confident82.6Confident89 Ų8971.6 Ų71.642%0.41637%0.374SS..Hα-helixtrans-63.1-36.6172.9-80-178.714.700112.5A204 N205 S207 A212 K213A204-Q209 HydrophobicContact CB-CG 3.57Å; A204-Q209 PolarHBondContact O-NE2 3.16Å; N205-Q209 WeakPolarHBondContact O-CB 3.42Å; N205-Q209 VanDerWaalsContact O-CG 3.26Å; N205-Q209 WeakPolarHBondContact O-CG 3.42Å; N205-Q209 PolarHBondContact O-N 3.44Å; S207-Q209 VanDerWaalsContact C-N 3.34Å; Q209-A212 WeakPolarHBondContact O-CB 3.17Å; Q209-A212 PolarHBondContact O-N 2.96Å; Q209-K213 WeakPolarHBondContact O-CG 3.33Å; Q209-K213 PolarHBondContact O-N 2.85Å; Q209-K213 VanDerWaalsContact O-N 3.08Å
210R82.5Confident80.8Confident189 Ų18969.9 Ų69.971%0.71337%0.371SS*.Hα-helixtrans-65-47.2175.6-69.2177.8179.5-177.3-1.2110.7A206 S207 T208 A212 K213 Q214A206-R210 PolarHBondContact O-N 3Å; S207-R210 PolarHBondContact O-N 3.26Å; T208-R210 VanDerWaalsContact C-N 3.31Å; T208-R210 PolarHBondContact O-N 3.43Å; R210-A212 VanDerWaalsContact C-N 3.32Å; R210-A212 PolarHBondContact O-N 3.34Å; R210-K213 PolarHBondContact O-N 3.1Å; R210-Q214 WeakPolarHBondContact O-CG 3.2Å; R210-Q214 PolarHBondContact O-N 3.01Å; R210-Q214 VanDerWaalsContact O-N 3.08Å
211L77.9Confident78.7Confident47 Ų4774.7 Ų74.725%0.24641%0.41CS..Hα-helixtrans-60.3-41.4174.8-67.2169.4000111.9S207 T208 K213 Q214 E215S207-L211 PolarHBondContact O-N 3.16Å; T208-L211 PolarHBondContact O-N 2.79Å; L211-K213 VanDerWaalsContact C-N 3.3Å; L211-K213 PolarHBondContact O-N 2.73Å; L211-Q214 PolarHBondContact O-N 3.14Å; L211-Q214 VanDerWaalsContact O-N 3.17Å; L211-E215 PolarHBondContact O-N 3.38Å
212A73.5Confident76.6Confident15 Ų1578.7 Ų78.712%0.12444%0.44CS..Hα-helixtrans-60.1-38.9176.700000113.1T208 Q209 R210 K216 Y235T208-A212 VanDerWaalsContact O-CB 3.27Å; T208-A212 WeakPolarHBondContact O-CB 3.39Å; T208-A212 PolarHBondContact O-N 3.38Å; Q209-A212 WeakPolarHBondContact O-CB 3.17Å; Q209-A212 PolarHBondContact O-N 2.96Å; R210-A212 VanDerWaalsContact C-N 3.32Å; R210-A212 PolarHBondContact O-N 3.34Å; A212-K216 WeakPolarHBondContact O-CB 3.14Å; A212-K216 WeakPolarHBondContact O-CG 3.22Å; A212-K216 PolarHBondContact O-N 2.92Å; A212-K216 VanDerWaalsContact O-N 3.08Å; A212-Y235 HydrophobicContact CB-CD2 3.81Å; A212-Y235 HydrophobicContact CB-CE2 3.22Å
213K78Confident74.5Confident156 Ų15679.8 Ų79.868%0.67845%0.447SS*.Hα-helixtrans-68.7-40.6175.8-73.6-179.4179.2-171.90111.2Q209 R210 L211 K216 A217Q209-K213 WeakPolarHBondContact O-CG 3.33Å; Q209-K213 PolarHBondContact O-N 2.85Å; Q209-K213 VanDerWaalsContact O-N 3.08Å; R210-K213 PolarHBondContact O-N 3.1Å; L211-K213 VanDerWaalsContact C-N 3.3Å; L211-K213 PolarHBondContact O-N 2.73Å; K213-K216 PolarHBondContact O-N 3.35Å; K213-A217 WeakPolarHBondContact O-CB 3.27Å; K213-A217 PolarHBondContact O-N 2.91Å
214Q77.1Confident72.7Confident126 Ų12682.3 Ų82.359%0.58946%0.464SS*.Hα-helixtrans-63.6-50176.7-71.2173-16.300111.5R210 L211 K216 A217 Q218R210-Q214 WeakPolarHBondContact O-CG 3.2Å; R210-Q214 PolarHBondContact O-N 3.01Å; R210-Q214 VanDerWaalsContact O-N 3.08Å; L211-Q214 PolarHBondContact O-N 3.14Å; L211-Q214 VanDerWaalsContact O-N 3.17Å; Q214-K216 VanDerWaalsContact C-N 3.27Å; Q214-K216 PolarHBondContact O-N 3.05Å; Q214-A217 PolarHBondContact O-N 2.8Å; Q214-A217 VanDerWaalsContact O-N 3.08Å; Q214-Q218 PolarHBondContact O-N 3.48Å
215E72.1Confident71.1Confident34 Ų3485.9 Ų85.916%0.15949%0.489CS..Hα-helixtrans-62.4-31176.5-76.7-68.8161.800113.1L211 Q218 P219 S220 Q232 Y235L211-E215 PolarHBondContact O-N 3.38Å; E215-Q218 CarbonylContact O-C 3.56Å; E215-Q218 VanDerWaalsContact O-C 3.28Å; E215-P219 WeakPolarHBondContact O-CA 3.21Å; E215-S220 PolarHBondContact OE1-OG 3.38Å; E215-S220 PolarHBondContact OE2-OG 3.23Å; E215-Q232 VanDerWaalsContact OE1-CG 3.31Å; E215-Q232 WeakPolarHBondContact OE1-CG 3.39Å; E215-Q232 PolarHBondContact OE1-NE2 2.89Å; E215-Y235 HydrophobicContact CB-CE1 4Å; E215-Y235 HydrophobicContact CG-CD1 4.21Å; E215-Y235 HydrophobicContact CG-CE1 4.18Å
216K72.3Confident69.7Low166 Ų16689.8 Ų89.872%0.72252%0.519SS*.Hα-helixtrans-73.5-33.9173.2-83.7-171.3174.6-163.60113.1A212 K213 Q214A212-K216 WeakPolarHBondContact O-CB 3.14Å; A212-K216 WeakPolarHBondContact O-CG 3.22Å; A212-K216 PolarHBondContact O-N 2.92Å; A212-K216 VanDerWaalsContact O-N 3.08Å; K213-K216 PolarHBondContact O-N 3.35Å; Q214-K216 VanDerWaalsContact C-N 3.27Å; Q214-K216 PolarHBondContact O-N 3.05Å
217A75.8Confident68.7Low81 Ų8193 Ų9367%0.66952%0.521SS*.Hα-helixtrans-76.1-34.3179.200000111.8K213 Q214K213-A217 WeakPolarHBondContact O-CB 3.27Å; K213-A217 PolarHBondContact O-N 2.91Å; Q214-A217 PolarHBondContact O-N 2.8Å; Q214-A217 VanDerWaalsContact O-N 3.08Å
218Q67.9Low68.1Low160 Ų16093 Ų9375%0.74851%0.511SS*.SBendtrans-132.194173.2-72-173.2-8.400108.9Q214 E215 S220Q214-Q218 PolarHBondContact O-N 3.48Å; E215-Q218 CarbonylContact O-C 3.56Å; E215-Q218 VanDerWaalsContact O-C 3.28Å; Q218-S220 PolarHBondContact O-N 3.05Å; Q218-S220 VanDerWaalsContact O-N 3.09Å
219P64.6Low68Low100 Ų10096.3 Ų96.365%0.64953%0.53SS*.  trans-63.1114.8176-16.829.2000109E215 A221E215-P219 WeakPolarHBondContact O-CA 3.21Å; P219-A221 PolarHBondContact O-N 2.87Å
220S58.2Low68Low37 Ų3795.5 Ų95.526%0.25954%0.535SS..  trans-71.264.9172.8-430000109.9E215 Q218 S222E215-S220 PolarHBondContact OE1-OG 3.38Å; E215-S220 PolarHBondContact OE2-OG 3.23Å; Q218-S220 PolarHBondContact O-N 3.05Å; Q218-S220 VanDerWaalsContact O-N 3.09Å; S220-S222 PolarHBondContact O-N 3.25Å
221A54.2Low67.8Low100 Ų10089.3 Ų89.383%0.82652%0.521SS*.THydrogen-bonded Turntrans-68.8-14.1-174.600000113P219P219-A221 PolarHBondContact O-N 2.87Å
222S52.5Low67.7Low113 Ų11389 Ų8979%0.7952%0.518SS*.THydrogen-bonded Turntrans-113.4-7.5-170.956.20000115.9S220 T224S220-S222 PolarHBondContact O-N 3.25Å; S222-T224 PolarHBondContact O-N 2.94Å
223S52.8Low68.1Low23 Ų2394.5 Ų94.516%0.16154%0.535CS..  trans-80112.7-179.2620000110.7R228S223-R228 PolarHBondContact OG-NE 3.46Å
224T56.5Low68.3Low99 Ų9989 Ų8961%0.60751%0.512SS*.  trans-54.2151.2167.7-1.90000109.6S222 S226 Q227S222-T224 PolarHBondContact O-N 2.94Å; T224-S226 PolarHBondContact O-N 3.04Å; T224-Q227 PolarHBondContact O-N 2.96Å
225S57.9Low68.5Low82 Ų8284.4 Ų84.457%0.57349%0.49SS*.G310 helixtrans-52.6-27.5-173.365.10000114.1
226S60.3Low69.1Low115 Ų11585.7 Ų85.780%0.80450%0.497SS*.G310 helixtrans-71.3-26.3176.3-66.10000115.1T224T224-S226 PolarHBondContact O-N 3.04Å
227Q64Low69.9Low140 Ų14082.2 Ų82.265%0.65449%0.486SS*.G310 helixtrans-87.5-9.6179.3-73.1-178.5-19.900113.1T224 T229T224-Q227 PolarHBondContact O-N 2.96Å; Q227-T229 PolarHBondContact O-N 2.94Å
228R70.1Confident70.7Confident72 Ų7278.4 Ų78.427%0.27246%0.455SS..SBendtrans-75.1128.5-179.5-71.1-177.9176.3151.3-0.6111S223 Q232 R233S223-R228 PolarHBondContact OG-NE 3.46Å; R228-Q232 HydrophobicContact CB-CB 4.2Å; R228-R233 HydrophobicContact CB-CG 3.83Å; R228-R233 PolarHBondContact O-NE 3.27Å
229T79.6Confident71.8Confident78 Ų7872.5 Ų72.548%0.47943%0.432SS..  trans-55.1154.4169.764.30000110.1Q227 S231 Q232 R233Q227-T229 PolarHBondContact O-N 2.94Å; T229-S231 PolarHBondContact O-N 3Å; T229-Q232 PolarHBondContact O-N 3.41Å; T229-Q232 VanDerWaalsContact O-N 3.13Å; T229-Q232 VanDerWaalsContact OG1-CG 3.26Å; T229-Q232 WeakPolarHBondContact OG1-CG 3.29Å; T229-Q232 PolarHBondContact OG1-N 3.45Å; T229-Q232 PolarHBondContact OG1-OE1 3.41Å; T229-R233 PolarHBondContact O-N 3Å; T229-R233 VanDerWaalsContact O-N 3.08Å
230S81.1Confident73.1Confident73 Ų7375.3 Ų75.351%0.5144%0.436SS..Hα-helixtrans-53.4-41.5178.2-169.10000111.3Q232 R233 E234S230-Q232 PolarHBondContact O-N 3.1Å; S230-R233 PolarHBondContact O-N 3.4Å; S230-E234 WeakPolarHBondContact O-CG 3.46Å; S230-E234 PolarHBondContact O-N 3.15Å
231S77.4Confident74.9Confident59 Ų5975 Ų7541%0.41343%0.429SS..Hα-helixtrans-66.9-36.5179.4-50.30000113.9T229 E234 Y235T229-S231 PolarHBondContact O-N 3Å; S231-E234 PolarHBondContact O-N 2.67Å; S231-Y235 PolarHBondContact O-N 2.96Å
232Q76.5Confident76.7Confident41 Ų4172.2 Ų72.219%0.19240%0.398CS..Hα-helixtrans-66.8-40.2173.2-75167.9-43.300111.9E215 R228 T229 S230 E234 Y235 L236E215-Q232 VanDerWaalsContact OE1-CG 3.31Å; E215-Q232 WeakPolarHBondContact OE1-CG 3.39Å; E215-Q232 PolarHBondContact OE1-NE2 2.89Å; R228-Q232 HydrophobicContact CB-CB 4.2Å; T229-Q232 PolarHBondContact O-N 3.41Å; T229-Q232 VanDerWaalsContact O-N 3.13Å; T229-Q232 VanDerWaalsContact OG1-CG 3.26Å; T229-Q232 WeakPolarHBondContact OG1-CG 3.29Å; T229-Q232 PolarHBondContact OG1-N 3.45Å; T229-Q232 PolarHBondContact OG1-OE1 3.41Å; S230-Q232 PolarHBondContact O-N 3.1Å; Q232-E234 VanDerWaalsContact C-N 3.32Å; Q232-E234 PolarHBondContact O-N 3.01Å; Q232-Y235 WeakPolarHBondContact O-CB 3.49Å; Q232-Y235 PolarHBondContact O-N 3.33Å; Q232-L236 WeakPolarHBondContact O-CG 3.44Å; Q232-L236 PolarHBondContact O-N 3.45Å
233R80.9Confident78.6Confident129 Ų12975.3 Ų75.349%0.48740%0.397SS..Hα-helixtrans-61.6-42.3174-75.6-173-81.6158.8-6.3111.3R228 T229 S230 L236 N237R228-R233 HydrophobicContact CB-CG 3.83Å; R228-R233 PolarHBondContact O-NE 3.27Å; T229-R233 PolarHBondContact O-N 3Å; T229-R233 VanDerWaalsContact O-N 3.08Å; S230-R233 PolarHBondContact O-N 3.4Å; R233-L236 PolarHBondContact O-N 2.86Å; R233-N237 WeakPolarHBondContact O-CB 3.39Å; R233-N237 PolarHBondContact O-N 3.33Å; R233-N237 PolarHBondContact O-ND2 3.03Å; R233-N237 VanDerWaalsContact O-ND2 3.15Å
234E81.8Confident80.7Confident42 Ų4276.1 Ų76.120%0.19640%0.398CS..Hα-helixtrans-65-42.2175.6-69.3-162.1145.600112.7S230 S231 Q232 L236 N237 F238 R265 V267S230-E234 WeakPolarHBondContact O-CG 3.46Å; S230-E234 PolarHBondContact O-N 3.15Å; S231-E234 PolarHBondContact O-N 2.67Å; Q232-E234 VanDerWaalsContact C-N 3.32Å; Q232-E234 PolarHBondContact O-N 3.01Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-L236 PolarHBondContact O-N 2.78Å; E234-N237 PolarHBondContact O-N 3.19Å; E234-F238 WeakPolarHBondContact O-CD2 3.3Å; E234-F238 PolarHBondContact O-N 3.12Å; E234-R265 WeakPolarHBondContact OE1-CD 3.32Å; E234-R265 IonicContact OE1-CZ 2.77Å; E234-R265 IonicContact OE1-NH1 3.6Å; E234-R265 PolarHBondContact OE1-NH1 3.44Å; E234-V267 HydrophobicContact CB-CG2 3.99Å; E234-V267 HydrophobicContact CG-CG2 4.43Å; E234-V267 VanDerWaalsContact OE2-CG2 3.27Å; E234-V267 WeakPolarHBondContact OE2-CG2 3.27Å
235Y82.9Confident82.6Confident28 Ų2878.7 Ų78.711%0.1140%0.397CS..Hα-helixtrans-52.7-51.4172.9166.8-100.3000111.5T208 A212 E215 S231 Q232 F238 S239 F242T208-Y235 HydrophobicContact CG2-CD2 4.21Å; A212-Y235 HydrophobicContact CB-CD2 3.81Å; A212-Y235 HydrophobicContact CB-CE2 3.22Å; E215-Y235 HydrophobicContact CB-CE1 4Å; E215-Y235 HydrophobicContact CG-CD1 4.21Å; E215-Y235 HydrophobicContact CG-CE1 4.18Å; S231-Y235 PolarHBondContact O-N 2.96Å; Q232-Y235 WeakPolarHBondContact O-CB 3.49Å; Q232-Y235 PolarHBondContact O-N 3.33Å; Y235-F238 PolarHBondContact O-N 2.79Å; Y235-S239 WeakPolarHBondContact O-CA 3.39Å; Y235-S239 WeakPolarHBondContact O-CB 3Å; Y235-S239 PolarHBondContact O-N 2.87Å; Y235-F242 HydrophobicContact CD2-CD2 4.47Å; Y235-F242 AromaticContact CD2-CE2 3.35Å; Y235-F242 HydrophobicContact CD2-CE2 3.35Å; Y235-F242 AromaticContact CD2-CZ 3.79Å; Y235-F242 HydrophobicContact CD2-CZ 3.79Å; Y235-F242 HydrophobicContact CE2-CD2 4.03Å; Y235-F242 AromaticContact CE2-CE2 3.27Å; Y235-F242 HydrophobicContact CE2-CE2 3.27Å; Y235-F242 HydrophobicContact CE2-CZ 4.17Å; Y235-F242 HydrophobicContact CG-CE2 4.34Å
236L84Confident84.5Confident61 Ų6175.5 Ų75.532%0.31938%0.375SS..Hα-helixtrans-64.8-45.2-179.2-68.6168.6000112.3Q232 R233 E234 F238 S239Q232-L236 WeakPolarHBondContact O-CG 3.44Å; Q232-L236 PolarHBondContact O-N 3.45Å; R233-L236 PolarHBondContact O-N 2.86Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-L236 PolarHBondContact O-N 2.78Å; L236-F238 PolarHBondContact O-N 2.89Å; L236-F238 VanDerWaalsContact O-N 3.15Å; L236-S239 WeakPolarHBondContact O-CB 3.25Å; L236-S239 PolarHBondContact O-N 3.38Å; L236-S239 PolarHBondContact O-OG 3.04Å
237N88.9Confident86.2Confident93 Ų9370.8 Ų70.850%0.49734%0.342SS..Hα-helixtrans-60.5-25.2-178.3-75.9-22.7000114.1R233 E234R233-N237 WeakPolarHBondContact O-CB 3.39Å; R233-N237 PolarHBondContact O-N 3.33Å; R233-N237 PolarHBondContact O-ND2 3.03Å; R233-N237 VanDerWaalsContact O-ND2 3.15Å; E234-N237 PolarHBondContact O-N 3.19Å
238F93.1Very high87.7Confident1 Ų164.7 Ų64.70%0.00431%0.313CS..Hα-helixtrans-117.55.3-178.6-60.8-72.3000113.5E234 Y235 L236 H240 Y241 F242 A258 R261 G262 V267 L268E234-F238 WeakPolarHBondContact O-CD2 3.3Å; E234-F238 PolarHBondContact O-N 3.12Å; Y235-F238 PolarHBondContact O-N 2.79Å; L236-F238 PolarHBondContact O-N 2.89Å; L236-F238 VanDerWaalsContact O-N 3.15Å; F238-H240 VanDerWaalsContact C-N 3.28Å; F238-H240 PolarHBondContact O-N 2.91Å; F238-Y241 PolarHBondContact O-N 3.16Å; F238-F242 HydrophobicContact CB-CE1 4.24Å; F238-A258 WeakPolarHBondContact CE1-O 3.44Å; F238-R261 HydrophobicContact CE1-CB 4.31Å; F238-R261 HydrophobicContact CE1-CG 4.41Å; F238-R261 HydrophobicContact CZ-CB 4.41Å; F238-R261 HydrophobicContact CZ-CG 4.05Å; F238-R261 VanDerWaalsContact CZ-NE 3.32Å; F238-G262 VanDerWaalsContact CE1-CA 3.48Å; F238-V267 HydrophobicContact CB-CG1 4.28Å; F238-V267 HydrophobicContact CD2-CB 4.1Å; F238-V267 HydrophobicContact CD2-CG1 3.85Å; F238-V267 HydrophobicContact CD2-CG2 4.25Å; F238-V267 HydrophobicContact CE2-CB 4.49Å; F238-V267 HydrophobicContact CE2-CG2 4.28Å; F238-V267 HydrophobicContact CG-CG1 4.39Å; F238-L268 HydrophobicContact CB-CD1 4.19Å; F238-L268 HydrophobicContact CB-CD2 4.13Å; F238-L268 HydrophobicContact CB-CG 4.22Å; F238-L268 HydrophobicContact CD1-CD1 3.98Å; F238-L268 HydrophobicContact CG-CD1 4.3Å; F238-L268 HydrophobicContact CG-CG 4.47Å
239S90.1Very high88.9Confident37 Ų3764.1 Ų64.126%0.25932%0.32SS..G310 helixtrans-53.7-41.1-175.758.80000113.7Y235 L236 Y241 F242Y235-S239 WeakPolarHBondContact O-CA 3.39Å; Y235-S239 WeakPolarHBondContact O-CB 3Å; Y235-S239 PolarHBondContact O-N 2.87Å; L236-S239 WeakPolarHBondContact O-CB 3.25Å; L236-S239 PolarHBondContact O-N 3.38Å; L236-S239 PolarHBondContact O-OG 3.04Å; S239-Y241 PolarHBondContact O-N 3.44Å; S239-Y241 VanDerWaalsContact O-N 3.09Å; S239-F242 VanDerWaalsContact CA-CE2 3.47Å; S239-F242 WeakPolarHBondContact O-CB 3.49Å; S239-F242 WeakPolarHBondContact O-CG 3.4Å; S239-F242 PolarHBondContact O-N 2.92Å; S239-F242 VanDerWaalsContact O-N 3.08Å
240H93.2Very high89.7Confident159 Ų15963.5 Ų63.574%0.73632%0.32SS*.G310 helixtrans-60.2-19.8176.6-64.4-71.3000114.4F238F238-H240 VanDerWaalsContact C-N 3.28Å; F238-H240 PolarHBondContact O-N 2.91Å
241Y94.8Very high90.4Very high29 Ų2960.9 Ų60.911%0.11430%0.3CS..G310 helixtrans-98.83.8-179.6-60.7-76.7000113.2V202 F238 S239 F244 Q255 A258 I259V202-Y241 CarbonylContact C-O 3.28Å; V202-Y241 WeakPolarHBondContact CG1-O 3.45Å; V202-Y241 VanDerWaalsContact O-O 3.11Å; F238-Y241 PolarHBondContact O-N 3.16Å; S239-Y241 PolarHBondContact O-N 3.44Å; S239-Y241 VanDerWaalsContact O-N 3.09Å; Y241-F244 HydrophobicContact CD1-CD1 4.28Å; Y241-F244 HydrophobicContact CD1-CD2 4.45Å; Y241-F244 HydrophobicContact CD1-CG 4.18Å; Y241-F244 WeakPolarHBondContact O-CB 3.43Å; Y241-F244 PolarHBondContact O-N 3.37Å; Y241-Q255 HydrophobicContact CE1-CB 4.06Å; Y241-Q255 HydrophobicContact CE1-CG 4.15Å; Y241-Q255 WeakPolarHBondContact OH-CA 3.47Å; Y241-A258 HydrophobicContact CD2-CB 4.31Å; Y241-A258 HydrophobicContact CE1-CB 4.44Å; Y241-A258 HydrophobicContact CE2-CB 3.46Å; Y241-A258 VanDerWaalsContact CE2-CB 3.46Å; Y241-A258 WeakPolarHBondContact OH-CB 3.25Å; Y241-I259 HydrophobicContact CD1-CD1 4.27Å; Y241-I259 HydrophobicContact CD1-CG1 3.84Å; Y241-I259 HydrophobicContact CE1-CD1 4.44Å; Y241-I259 HydrophobicContact CE1-CG1 4.14Å; Y241-I259 HydrophobicContact CG-CG1 4.41Å
242F92.1Very high91.3Very high42 Ų4264 Ų6418%0.18431%0.306CS..THydrogen-bonded Turntrans-76.4128.2173.1-58.4-20.9000110.2A204 T208 Y235 F238 S239 F244 L268A204-F242 HydrophobicContact CB-CD1 3.58Å; A204-F242 HydrophobicContact CB-CE1 3.65Å; A204-F242 HydrophobicContact CB-CG 4.07Å; A204-F242 HydrophobicContact CB-CZ 4.21Å; T208-F242 HydrophobicContact CG2-CE1 4.22Å; T208-F242 HydrophobicContact CG2-CZ 3.75Å; Y235-F242 HydrophobicContact CD2-CD2 4.47Å; Y235-F242 AromaticContact CD2-CE2 3.35Å; Y235-F242 HydrophobicContact CD2-CE2 3.35Å; Y235-F242 AromaticContact CD2-CZ 3.79Å; Y235-F242 HydrophobicContact CD2-CZ 3.79Å; Y235-F242 HydrophobicContact CE2-CD2 4.03Å; Y235-F242 AromaticContact CE2-CE2 3.27Å; Y235-F242 HydrophobicContact CE2-CE2 3.27Å; Y235-F242 HydrophobicContact CE2-CZ 4.17Å; Y235-F242 HydrophobicContact CG-CE2 4.34Å; F238-F242 HydrophobicContact CB-CE1 4.24Å; S239-F242 VanDerWaalsContact CA-CE2 3.47Å; S239-F242 WeakPolarHBondContact O-CB 3.49Å; S239-F242 WeakPolarHBondContact O-CG 3.4Å; S239-F242 PolarHBondContact O-N 2.92Å; S239-F242 VanDerWaalsContact O-N 3.08Å; F242-F244 PolarHBondContact O-N 3.28Å; F242-L268 HydrophobicContact CD1-CD2 3.69Å; F242-L268 HydrophobicContact CE1-CD2 3.56Å
243K92.5Very high92.3Very high178 Ų17863.8 Ų63.877%0.77431%0.308SS*.THydrogen-bonded Turntrans57.626.3-172.9-53.8-179.1177.3-175.10112.9V202 N203V202-K243 CarbonylContact O-C 3.58Å; V202-K243 WeakPolarHBondContact O-CA 3.38Å; V202-K243 PolarHBondContact O-N 3.1Å; N203-K243 WeakPolarHBondContact OD1-CA 3.49Å; N203-K243 PolarHBondContact OD1-N 3.34Å
244F96.4Very high93Very high41 Ų4163 Ų6318%0.1831%0.31CS..EExtended strand (participates in β ladder)trans-78136.7178.6176.5-92.4000110.3T201 V202 Y241 F242 L251 I259T201-F244 CarbonylContact C-O 3.47Å; T201-F244 WeakPolarHBondContact CA-O 3.34Å; V202-F244 HydrophobicContact CB-CB 4.36Å; V202-F244 HydrophobicContact CG2-CD1 4.3Å; V202-F244 PolarHBondContact N-O 3.49Å; V202-F244 PolarHBondContact O-N 3.23Å; Y241-F244 HydrophobicContact CD1-CD1 4.28Å; Y241-F244 HydrophobicContact CD1-CD2 4.45Å; Y241-F244 HydrophobicContact CD1-CG 4.18Å; Y241-F244 WeakPolarHBondContact O-CB 3.43Å; Y241-F244 PolarHBondContact O-N 3.37Å; F242-F244 PolarHBondContact O-N 3.28Å; F244-L251 HydrophobicContact CE1-CD2 3.74Å; F244-L251 HydrophobicContact CZ-CD2 4.05Å; F244-I259 HydrophobicContact CD1-CD1 4.39Å; F244-I259 HydrophobicContact CE1-CD1 4.22Å
245R97.3Very high93.8Very high152 Ų15262.8 Ų62.857%0.57431%0.308SS*.EExtended strand (participates in β ladder)trans-139.4132.5176.5-175.5177.1179.6-176-0.7110.1F199 V200F199-R245 HydrophobicContact CB-CG 4.48Å; F199-R245 HydrophobicContact CD1-CG 4.21Å; V200-R245 VanDerWaalsContact O-CA 3.32Å; V200-R245 WeakPolarHBondContact O-CA 3.42Å
246S97Very high94.5Very high16 Ų1661.6 Ų61.611%0.11230%0.304CS..EExtended strand (participates in β ladder)trans-157.9152.3-179.7164.20000109.9F199 V200 S250 L251F199-S246 CarbonylContact C-O 3.52Å; F199-S246 WeakPolarHBondContact CA-O 3.49Å; V200-S246 PolarHBondContact N-O 2.65Å; V200-S246 PolarHBondContact O-N 2.81Å; V200-S246 VanDerWaalsContact O-N 3.11Å; S246-S250 PolarHBondContact OG-OG 3.33Å; S246-L251 WeakPolarHBondContact OG-CD2 3.43Å
247S96.9Very high95.1Very high16 Ų1662 Ų6211%0.11231%0.305CS..EExtended strand (participates in β ladder)trans-72.5146.2171.667.30000110.3S196 V198 S249 S250 L251S196-S247 WeakPolarHBondContact O-CB 3.46Å; V198-S247 CarbonylContact O-C 3.55Å; V198-S247 WeakPolarHBondContact O-CA 3.38Å; S247-S249 PolarHBondContact O-N 3.42Å; S247-S249 PolarHBondContact OG-OG 2.92Å; S247-S250 PolarHBondContact N-OG 2.85Å; S247-S250 PolarHBondContact O-N 3.32Å; S247-S250 PolarHBondContact O-OG 3.42Å; S247-S250 VanDerWaalsContact OG-CB 3.31Å; S247-S250 WeakPolarHBondContact OG-CB 3.43Å; S247-S250 PolarHBondContact OG-N 2.95Å; S247-S250 PolarHBondContact OG-OG 2.89Å; S247-L251 PolarHBondContact O-N 3.46Å
248I96.2Very high95.5Very high11 Ų1158.3 Ų58.36%0.05629%0.288CS..G310 helixtrans-55.8-38.6-178.8-68.1179.9000111.2V198 S250 F272 L322 A326V198-I248 HydrophobicContact CB-CD1 3.91Å; V198-I248 HydrophobicContact CB-CG1 4.32Å; V198-I248 HydrophobicContact CG1-CD1 3.45Å; V198-I248 VanDerWaalsContact CG1-CD1 3.45Å; V198-I248 HydrophobicContact CG1-CG1 4.11Å; V198-I248 PolarHBondContact O-N 3.43Å; I248-S250 VanDerWaalsContact C-N 3.32Å; I248-S250 PolarHBondContact O-N 3Å; I248-F272 HydrophobicContact CD1-CD1 4.08Å; I248-F272 HydrophobicContact CD1-CE1 3.9Å; I248-F272 HydrophobicContact CG1-CE1 4.37Å; I248-L322 HydrophobicContact CD1-CB 3.96Å; I248-A326 HydrophobicContact CG2-CB 3.89Å
249S94Very high95.7Very high60 Ų6058.3 Ų58.342%0.4229%0.287SS..G310 helixtrans-67.4-27.917969.70000114.3P195 S196 S247P195-S249 PolarHBondContact O-N 3.46Å; S196-S249 WeakPolarHBondContact CA-OG 3.26Å; S196-S249 WeakPolarHBondContact CB-OG 3.46Å; S247-S249 PolarHBondContact O-N 3.42Å; S247-S249 PolarHBondContact OG-OG 2.92Å
250S95.9Very high96Very high66 Ų6658.5 Ų58.546%0.46229%0.286SS..G310 helixtrans-88.6-9.3-176.967.70000114S246 S247 I248 K252S246-S250 PolarHBondContact OG-OG 3.33Å; S247-S250 PolarHBondContact N-OG 2.85Å; S247-S250 PolarHBondContact O-N 3.32Å; S247-S250 PolarHBondContact O-OG 3.42Å; S247-S250 VanDerWaalsContact OG-CB 3.31Å; S247-S250 WeakPolarHBondContact OG-CB 3.43Å; S247-S250 PolarHBondContact OG-N 2.95Å; S247-S250 PolarHBondContact OG-OG 2.89Å; I248-S250 VanDerWaalsContact C-N 3.32Å; I248-S250 PolarHBondContact O-N 3Å; S250-K252 PolarHBondContact O-N 3.1Å
251L96.5Very high96.1Very high18 Ų1856.7 Ų56.79%0.09427%0.272CS..  trans-67.1129.2-179-72.1167.7000111.5V200 F244 S246 S247 Q255 V256 I259 W323V200-L251 HydrophobicContact CG1-CD1 3.75Å; V200-L251 HydrophobicContact CG1-CD2 4.18Å; V200-L251 HydrophobicContact CG1-CG 4.41Å; F244-L251 HydrophobicContact CE1-CD2 3.74Å; F244-L251 HydrophobicContact CZ-CD2 4.05Å; S246-L251 WeakPolarHBondContact OG-CD2 3.43Å; S247-L251 PolarHBondContact O-N 3.46Å; L251-Q255 HydrophobicContact CD2-CB 4.36Å; L251-V256 HydrophobicContact CB-CG2 3.71Å; L251-V256 HydrophobicContact CD1-CG2 4.1Å; L251-V256 HydrophobicContact CG-CG2 4.48Å; L251-I259 HydrophobicContact CD2-CD1 4.28Å; L251-W323 HydrophobicContact CD1-CH2 4.26Å; L251-W323 HydrophobicContact CD1-CZ3 3.64Å
252K97.1Very high96.1Very high125 Ų12555.3 Ų55.354%0.54327%0.267SS..  trans-73.3148.7171.4-58.7-177.6-177.9-178.50110.4S250 H254 Q255 V256S250-K252 PolarHBondContact O-N 3.1Å; K252-H254 VanDerWaalsContact C-N 3.33Å; K252-H254 VanDerWaalsContact CD-CE1 3.48Å; K252-H254 WeakPolarHBondContact CD-CE1 3.39Å; K252-H254 PolarHBondContact O-N 3.38Å; K252-Q255 HydrophobicContact CB-CG 4.14Å; K252-Q255 WeakPolarHBondContact O-CB 3.36Å; K252-Q255 PolarHBondContact O-N 3.12Å; K252-V256 PolarHBondContact O-N 3.37Å; K252-V256 VanDerWaalsContact O-N 3.15Å
253P97.4Very high96.2Very high36 Ų3655.4 Ų55.423%0.23427%0.271CS..Hα-helixtrans-47.4-48.4178-3438.7000114.7Q255 V256 M257 A330 H333P253-Q255 VanDerWaalsContact C-N 3.29Å; P253-Q255 PolarHBondContact O-N 3.17Å; P253-V256 PolarHBondContact O-N 2.78Å; P253-M257 WeakPolarHBondContact O-CG 3.36Å; P253-M257 PolarHBondContact O-N 3.43Å; P253-A330 HydrophobicContact CB-CB 4.22Å; P253-A330 WeakPolarHBondContact O-CB 3.27Å; P253-H333 HydrophobicContact CB-CB 4.02Å; P253-H333 HydrophobicContact CG-CB 4.04Å
254H96.5Very high96.2Very high113 Ų11355.7 Ų55.752%0.52327%0.272SS..Hα-helixtrans-64.9-30.6179.663.3-97.7000113K252 M257 A258K252-H254 VanDerWaalsContact C-N 3.33Å; K252-H254 VanDerWaalsContact CD-CE1 3.48Å; K252-H254 WeakPolarHBondContact CD-CE1 3.39Å; K252-H254 PolarHBondContact O-N 3.38Å; H254-M257 PolarHBondContact O-N 3.48Å; H254-A258 WeakPolarHBondContact O-CB 3.41Å; H254-A258 PolarHBondContact O-N 3.38Å
255Q97.5Very high96Very high36 Ų3660 Ų6017%0.16829%0.287CS..Hα-helixtrans-69.5-45.3176.4-64.3175.3-46.300110.8Y241 L251 K252 P253 M257 A258 I259Y241-Q255 HydrophobicContact CE1-CB 4.06Å; Y241-Q255 HydrophobicContact CE1-CG 4.15Å; Y241-Q255 WeakPolarHBondContact OH-CA 3.47Å; L251-Q255 HydrophobicContact CD2-CB 4.36Å; K252-Q255 HydrophobicContact CB-CG 4.14Å; K252-Q255 WeakPolarHBondContact O-CB 3.36Å; K252-Q255 PolarHBondContact O-N 3.12Å; P253-Q255 VanDerWaalsContact C-N 3.29Å; P253-Q255 PolarHBondContact O-N 3.17Å; Q255-M257 VanDerWaalsContact C-N 3.27Å; Q255-M257 PolarHBondContact O-N 3.34Å; Q255-A258 PolarHBondContact O-N 2.98Å; Q255-I259 WeakPolarHBondContact O-CB 3.38Å; Q255-I259 WeakPolarHBondContact O-CD1 3.47Å; Q255-I259 VanDerWaalsContact O-CG1 3.23Å; Q255-I259 WeakPolarHBondContact O-CG1 3.34Å; Q255-I259 PolarHBondContact O-N 2.89Å
256V97.7Very high95.7Very high3 Ų360.5 Ų60.52%0.01829%0.294CS..Hα-helixtrans-57.2-44.8174.6-179.90000110.3L251 K252 P253 I259 N260 W323 A330L251-V256 HydrophobicContact CB-CG2 3.71Å; L251-V256 HydrophobicContact CD1-CG2 4.1Å; L251-V256 HydrophobicContact CG-CG2 4.48Å; K252-V256 PolarHBondContact O-N 3.37Å; K252-V256 VanDerWaalsContact O-N 3.15Å; P253-V256 PolarHBondContact O-N 2.78Å; V256-I259 PolarHBondContact O-N 2.96Å; V256-N260 WeakPolarHBondContact O-CB 3.27Å; V256-N260 PolarHBondContact O-N 3.44Å; V256-N260 PolarHBondContact O-ND2 2.93Å; V256-W323 HydrophobicContact CG1-CH2 4.25Å; V256-W323 HydrophobicContact CG1-CZ2 4.09Å; V256-A330 HydrophobicContact CB-CB 3.72Å; V256-A330 HydrophobicContact CG1-CB 3.84Å; V256-A330 HydrophobicContact CG2-CB 4.37Å
257M97.1Very high95.5Very high71 Ų7159.9 Ų59.935%0.3529%0.289SS..Hα-helixtrans-63.2-45.9177.3-73.2-53.7-5200112.8P253 H254 Q255 N260 R261 A330 R331P253-M257 WeakPolarHBondContact O-CG 3.36Å; P253-M257 PolarHBondContact O-N 3.43Å; H254-M257 PolarHBondContact O-N 3.48Å; Q255-M257 VanDerWaalsContact C-N 3.27Å; Q255-M257 PolarHBondContact O-N 3.34Å; M257-N260 PolarHBondContact O-N 3.21Å; M257-R261 WeakPolarHBondContact O-CB 3.41Å; M257-R261 PolarHBondContact O-N 2.86Å; M257-A330 HydrophobicContact CG-CB 4.22Å; M257-A330 HydrophobicContact SD-CB 4.41Å; M257-R331 HydrophobicContact SD-CG 3.83Å
258A96.5Very high95.4Very high15 Ų1559.4 Ų59.412%0.12429%0.285CS..Hα-helixtrans-63-43.6178.300000112F238 Y241 H254 Q255 R261 G262F238-A258 WeakPolarHBondContact CE1-O 3.44Å; Y241-A258 HydrophobicContact CD2-CB 4.31Å; Y241-A258 HydrophobicContact CE1-CB 4.44Å; Y241-A258 HydrophobicContact CE2-CB 3.46Å; Y241-A258 VanDerWaalsContact CE2-CB 3.46Å; Y241-A258 WeakPolarHBondContact OH-CB 3.25Å; H254-A258 WeakPolarHBondContact O-CB 3.41Å; H254-A258 PolarHBondContact O-N 3.38Å; Q255-A258 PolarHBondContact O-N 2.98Å; A258-R261 PolarHBondContact O-N 3.37Å; A258-G262 PolarHBondContact O-N 3.06Å
259I97.1Very high95.3Very high0 Ų064.7 Ų64.70%031%0.308CS..Hα-helixtrans-61.5-48.4175.8-67164.4000110.3V202 Y241 F244 L251 Q255 V256 R261 G262 V263 K270 W323V202-I259 HydrophobicContact CG2-CD1 3.9Å; V202-I259 HydrophobicContact CG2-CG1 4.07Å; V202-I259 HydrophobicContact CG2-CG2 4Å; Y241-I259 HydrophobicContact CD1-CD1 4.27Å; Y241-I259 HydrophobicContact CD1-CG1 3.84Å; Y241-I259 HydrophobicContact CE1-CD1 4.44Å; Y241-I259 HydrophobicContact CE1-CG1 4.14Å; Y241-I259 HydrophobicContact CG-CG1 4.41Å; F244-I259 HydrophobicContact CD1-CD1 4.39Å; F244-I259 HydrophobicContact CE1-CD1 4.22Å; L251-I259 HydrophobicContact CD2-CD1 4.28Å; Q255-I259 WeakPolarHBondContact O-CB 3.38Å; Q255-I259 WeakPolarHBondContact O-CD1 3.47Å; Q255-I259 VanDerWaalsContact O-CG1 3.23Å; Q255-I259 WeakPolarHBondContact O-CG1 3.34Å; Q255-I259 PolarHBondContact O-N 2.89Å; V256-I259 PolarHBondContact O-N 2.96Å; I259-R261 VanDerWaalsContact C-N 3.32Å; I259-R261 PolarHBondContact O-N 3.28Å; I259-G262 PolarHBondContact O-N 3.17Å; I259-V263 HydrophobicContact CG2-CG2 4.3Å; I259-V263 WeakPolarHBondContact O-CB 3.32Å; I259-V263 VanDerWaalsContact O-CG2 3.29Å; I259-V263 WeakPolarHBondContact O-CG2 3.41Å; I259-V263 PolarHBondContact O-N 2.91Å; I259-K270 HydrophobicContact CG2-CB 4.5Å; I259-K270 HydrophobicContact CG2-CD 4.25Å; I259-W323 HydrophobicContact CB-CH2 4.33Å; I259-W323 HydrophobicContact CD1-CH2 4.36Å; I259-W323 HydrophobicContact CG2-CH2 3.93Å; I259-W323 HydrophobicContact CG2-CZ2 4.07Å
260N95.9Very high95.4Very high41 Ų4164.4 Ų64.422%0.21930%0.299CS..Hα-helixtrans-59.3-42.7177.7-79.4-25.7000111.7V256 M257 K264 K270 W323 S327V256-N260 WeakPolarHBondContact O-CB 3.27Å; V256-N260 PolarHBondContact O-N 3.44Å; V256-N260 PolarHBondContact O-ND2 2.93Å; M257-N260 PolarHBondContact O-N 3.21Å; N260-K264 WeakPolarHBondContact O-CB 3.49Å; N260-K264 PolarHBondContact O-N 3.12Å; N260-K270 PolarHBondContact OD1-NZ 3.46Å; N260-W323 VanDerWaalsContact OD1-CZ2 3.24Å; N260-W323 WeakPolarHBondContact OD1-CZ2 3.3Å; N260-W323 PolarHBondContact OD1-NE1 3.37Å; N260-S327 PolarHBondContact ND2-OG 2.9Å; N260-S327 VanDerWaalsContact ND2-OG 3.1Å
261R95.4Very high95.4Very high121 Ų12166 Ų6646%0.45730%0.299SS..Hα-helixtrans-62-48.7176.1-171.7-178.872.3175.73.1111.8F238 M257 A258 I259 K264 R265F238-R261 HydrophobicContact CE1-CB 4.31Å; F238-R261 HydrophobicContact CE1-CG 4.41Å; F238-R261 HydrophobicContact CZ-CB 4.41Å; F238-R261 HydrophobicContact CZ-CG 4.05Å; F238-R261 VanDerWaalsContact CZ-NE 3.32Å; M257-R261 WeakPolarHBondContact O-CB 3.41Å; M257-R261 PolarHBondContact O-N 2.86Å; A258-R261 PolarHBondContact O-N 3.37Å; I259-R261 VanDerWaalsContact C-N 3.32Å; I259-R261 PolarHBondContact O-N 3.28Å; R261-K264 PolarHBondContact O-N 3.2Å; R261-R265 WeakPolarHBondContact O-CG 3.32Å; R261-R265 PolarHBondContact O-N 3.41Å
262G95.3Very high95.4Very high0 Ų066.9 Ų66.90%030%0.302CS..Hα-helixtrans-66.6-36.3-17900000113.1F238 A258 I259 K266 V267 L268F238-G262 VanDerWaalsContact CE1-CA 3.48Å; A258-G262 PolarHBondContact O-N 3.06Å; I259-G262 PolarHBondContact O-N 3.17Å; G262-K266 PolarHBondContact O-N 3.37Å; G262-V267 PolarHBondContact O-N 2.8Å; G262-L268 PolarHBondContact O-N 3.01Å; G262-L268 VanDerWaalsContact O-N 3.08Å
263V94.3Very high95.4Very high44 Ų4463.9 Ų63.927%0.26729%0.294SS..Hα-helixtrans-67.9-43.5173.7172.50000111.2I259 R265 K266 L268 K270I259-V263 HydrophobicContact CG2-CG2 4.3Å; I259-V263 WeakPolarHBondContact O-CB 3.32Å; I259-V263 VanDerWaalsContact O-CG2 3.29Å; I259-V263 WeakPolarHBondContact O-CG2 3.41Å; I259-V263 PolarHBondContact O-N 2.91Å; V263-R265 VanDerWaalsContact C-N 3.27Å; V263-R265 PolarHBondContact O-N 3.28Å; V263-K266 WeakPolarHBondContact O-CA 3.37Å; V263-K266 PolarHBondContact O-N 3.23Å; V263-L268 WeakPolarHBondContact CA-O 3.46Å; V263-L268 HydrophobicContact CG2-CB 4.04Å; V263-K270 HydrophobicContact CG2-CB 4.3Å; V263-K270 HydrophobicContact CG2-CD 4.18Å; V263-K270 HydrophobicContact CG2-CG 4.14Å
264K92.9Very high95.4Very high185 Ų18562.9 Ų62.980%0.80429%0.288SS*.Hα-helixtrans-59.9-39176.9-176.1176.6179.5179.80111.9N260 R261 K266N260-K264 WeakPolarHBondContact O-CB 3.49Å; N260-K264 PolarHBondContact O-N 3.12Å; R261-K264 PolarHBondContact O-N 3.2Å; K264-K266 PolarHBondContact O-N 2.85Å
265R91.7Very high95.3Very high130 Ų13058.4 Ų58.449%0.49127%0.269SS..THydrogen-bonded Turntrans-78.73.4175.3-67.3-175.8173.3-1533.6114.1E234 R261 V263 V267E234-R265 WeakPolarHBondContact OE1-CD 3.32Å; E234-R265 IonicContact OE1-CZ 2.77Å; E234-R265 IonicContact OE1-NH1 3.6Å; E234-R265 PolarHBondContact OE1-NH1 3.44Å; R261-R265 WeakPolarHBondContact O-CG 3.32Å; R261-R265 PolarHBondContact O-N 3.41Å; V263-R265 VanDerWaalsContact C-N 3.27Å; V263-R265 PolarHBondContact O-N 3.28Å; R265-V267 HydrophobicContact CB-CG2 3.99Å; R265-V267 PolarHBondContact O-N 2.95Å; R265-V267 VanDerWaalsContact O-N 3.13Å
266K90.6Very high95.1Very high164 Ų16463.8 Ų63.871%0.71329%0.294SS*.THydrogen-bonded Turntrans61.412-176.9-53.8179.4179.9176.60114.7N205 G262 V263 K264N205-K266 VanDerWaalsContact CB-O 3.3Å; N205-K266 WeakPolarHBondContact CB-O 3.37Å; N205-K266 PolarHBondContact ND2-O 2.92Å; G262-K266 PolarHBondContact O-N 3.37Å; V263-K266 WeakPolarHBondContact O-CA 3.37Å; V263-K266 PolarHBondContact O-N 3.23Å; K264-K266 PolarHBondContact O-N 2.85Å
267V92.9Very high95Very high2 Ų265 Ų651%0.01230%0.303CS..SBendtrans-76-36.8176.8-175.30000111N205 T208 E234 F238 G262 R265N205-V267 PolarHBondContact N-O 3.4Å; N205-V267 PolarHBondContact OD1-O 3.49Å; T208-V267 HydrophobicContact CG2-CG1 3.77Å; E234-V267 HydrophobicContact CB-CG2 3.99Å; E234-V267 HydrophobicContact CG-CG2 4.43Å; E234-V267 VanDerWaalsContact OE2-CG2 3.27Å; E234-V267 WeakPolarHBondContact OE2-CG2 3.27Å; F238-V267 HydrophobicContact CB-CG1 4.28Å; F238-V267 HydrophobicContact CD2-CB 4.1Å; F238-V267 HydrophobicContact CD2-CG1 3.85Å; F238-V267 HydrophobicContact CD2-CG2 4.25Å; F238-V267 HydrophobicContact CE2-CB 4.49Å; F238-V267 HydrophobicContact CE2-CG2 4.28Å; F238-V267 HydrophobicContact CG-CG1 4.39Å; G262-V267 PolarHBondContact O-N 2.8Å; R265-V267 HydrophobicContact CB-CG2 3.99Å; R265-V267 PolarHBondContact O-N 2.95Å; R265-V267 VanDerWaalsContact O-N 3.13Å
268L94.9Very high95Very high6 Ų661.7 Ų61.73%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-110.5150.8-179.7-60.7177.5000111.5V202 N203 F238 F242 G262 V263V202-L268 HydrophobicContact CG1-CB 4.01Å; V202-L268 HydrophobicContact CG1-CD1 3.92Å; V202-L268 HydrophobicContact CG1-CD2 4.08Å; V202-L268 HydrophobicContact CG1-CG 4.23Å; N203-L268 CarbonylContact O-C 3.56Å; N203-L268 WeakPolarHBondContact O-CA 3.32Å; F238-L268 HydrophobicContact CB-CD1 4.19Å; F238-L268 HydrophobicContact CB-CD2 4.13Å; F238-L268 HydrophobicContact CB-CG 4.22Å; F238-L268 HydrophobicContact CD1-CD1 3.98Å; F238-L268 HydrophobicContact CG-CD1 4.3Å; F238-L268 HydrophobicContact CG-CG 4.47Å; F242-L268 HydrophobicContact CD1-CD2 3.69Å; F242-L268 HydrophobicContact CE1-CD2 3.56Å; G262-L268 PolarHBondContact O-N 3.01Å; G262-L268 VanDerWaalsContact O-N 3.08Å; V263-L268 WeakPolarHBondContact CA-O 3.46Å; V263-L268 HydrophobicContact CG2-CB 4.04Å
269K95.1Very high95Very high123 Ų12362.1 Ų62.154%0.53529%0.286SS..EExtended strand (participates in β ladder)trans-121130.1165.4-176.5178.5180179.90108.2V202 N203V202-K269 WeakPolarHBondContact CA-O 3.46Å; N203-K269 PolarHBondContact N-O 2.86Å; N203-K269 PolarHBondContact O-N 3.26Å
270K95.3Very high94.9Very high53 Ų5365.4 Ų65.423%0.2331%0.309CS..EExtended strand (participates in β ladder)trans-106.2143.7173.868.7-174.8174.8-162.70110.9V200 T201 V202 I259 N260 V263 F272 W323V200-K270 HydrophobicContact CG2-CB 4.04Å; T201-K270 CarbonylContact O-C 3.55Å; T201-K270 WeakPolarHBondContact O-CA 3.26Å; V202-K270 HydrophobicContact CG2-CB 4.29Å; I259-K270 HydrophobicContact CG2-CB 4.5Å; I259-K270 HydrophobicContact CG2-CD 4.25Å; N260-K270 PolarHBondContact OD1-NZ 3.46Å; V263-K270 HydrophobicContact CG2-CB 4.3Å; V263-K270 HydrophobicContact CG2-CD 4.18Å; V263-K270 HydrophobicContact CG2-CG 4.14Å; K270-F272 HydrophobicContact CD-CE2 4.24Å; K270-F272 HydrophobicContact CD-CZ 4.13Å; K270-F272 HydrophobicContact CG-CE2 4.29Å; K270-W323 HydrophobicContact CD-CZ2 4.18Å; K270-W323 VanDerWaalsContact NZ-CE2 3.35Å
271Q96.1Very high95Very high101 Ų10165.6 Ų65.647%0.47231%0.309SS..EExtended strand (participates in β ladder)trans-134.4152.4174.7-70.3177.2-42.200109.1V200 T201V200-Q271 WeakPolarHBondContact CA-O 3.47Å; T201-Q271 PolarHBondContact N-O 2.7Å; T201-Q271 PolarHBondContact O-N 3.31Å
272F96.7Very high95Very high35 Ų3559.9 Ų59.915%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-118.7126.5-177.3-64.2-83.6000111.3V198 F199 V200 I248 K270 R315 V319 W323V198-F272 HydrophobicContact CG1-CD1 4.24Å; F199-F272 WeakPolarHBondContact O-CA 3.5Å; V200-F272 HydrophobicContact CB-CD1 4.12Å; V200-F272 HydrophobicContact CB-CE1 3.9Å; V200-F272 HydrophobicContact CG2-CD1 4.23Å; V200-F272 HydrophobicContact CG2-CE1 3.8Å; V200-F272 HydrophobicContact CG2-CZ 4.25Å; I248-F272 HydrophobicContact CD1-CD1 4.08Å; I248-F272 HydrophobicContact CD1-CE1 3.9Å; I248-F272 HydrophobicContact CG1-CE1 4.37Å; K270-F272 HydrophobicContact CD-CE2 4.24Å; K270-F272 HydrophobicContact CD-CZ 4.13Å; K270-F272 HydrophobicContact CG-CE2 4.29Å; F272-R315 PolarHBondContact O-NH2 2.88Å; F272-V319 HydrophobicContact CB-CG1 3.55Å; F272-V319 HydrophobicContact CB-CG2 4.08Å; F272-V319 HydrophobicContact CD1-CG1 3.75Å; F272-V319 HydrophobicContact CD2-CG1 3.19Å; F272-V319 HydrophobicContact CE1-CG1 4.19Å; F272-V319 HydrophobicContact CE2-CG1 3.68Å; F272-V319 HydrophobicContact CG-CG1 3.2Å; F272-V319 HydrophobicContact CZ-CG1 4.15Å; F272-W323 HydrophobicContact CE1-CB 4.4Å; F272-W323 HydrophobicContact CE1-CD2 4.13Å; F272-W323 AromaticContact CE1-CE3 3.58Å; F272-W323 HydrophobicContact CE1-CE3 3.58Å; F272-W323 HydrophobicContact CE1-CG 4.48Å; F272-W323 HydrophobicContact CE1-CZ3 4.2Å; F272-W323 HydrophobicContact CZ-CB 3.99Å; F272-W323 AromaticContact CZ-CD2 3.69Å; F272-W323 HydrophobicContact CZ-CD2 3.69Å; F272-W323 AromaticContact CZ-CE3 3.61Å; F272-W323 HydrophobicContact CZ-CE3 3.61Å; F272-W323 AromaticContact CZ-CG 3.85Å; F272-W323 HydrophobicContact CZ-CG 3.85Å; F272-W323 HydrophobicContact CZ-CZ3 4.34Å
273T97Very high95Very high62 Ų6262.3 Ų62.338%0.3830%0.3SS..EExtended strand (participates in β ladder)trans-100.4123.1171.3-54.10000108V198 F199V198-T273 WeakPolarHBondContact CA-O 3.38Å; F199-T273 PolarHBondContact N-O 3.39Å; F199-T273 PolarHBondContact O-N 2.77Å
274V96.6Very high95.1Very high16 Ų1662.8 Ų62.810%0.09731%0.308CS..  trans-112.9154.7179.4-57.30000109.5V198 W278 R315 V319V198-V274 HydrophobicContact CG1-CG1 4.24Å; V198-V274 HydrophobicContact CG2-CG1 4.32Å; V274-W278 HydrophobicContact CB-CD2 4.03Å; V274-W278 HydrophobicContact CB-CE3 3.69Å; V274-W278 HydrophobicContact CB-CH2 4.37Å; V274-W278 HydrophobicContact CB-CZ3 3.88Å; V274-W278 HydrophobicContact CG1-CE3 3.86Å; V274-W278 HydrophobicContact CG1-CH2 3.98Å; V274-W278 HydrophobicContact CG1-CZ3 3.52Å; V274-W278 HydrophobicContact CG2-CD2 4.48Å; V274-W278 HydrophobicContact CG2-CE3 4Å; V274-W278 HydrophobicContact CG2-CZ3 4.5Å; V274-R315 HydrophobicContact CG2-CG 4.24Å; V274-V319 HydrophobicContact CG1-CG2 3.43Å; V274-V319 VanDerWaalsContact CG1-CG2 3.43Å
275P95.4Very high95.2Very high18 Ų1855.2 Ų55.212%0.11728%0.276CS..  trans-60.8144.2176.4-24.136000112.5R197 S277 W278R197-P275 HydrophobicContact CB-CG 3.54Å; P275-S277 PolarHBondContact O-N 3.14Å; P275-W278 WeakPolarHBondContact O-CB 3.27Å; P275-W278 PolarHBondContact O-N 3.44Å
276Q92.3Very high95.3Very high150 Ų15049.2 Ų49.270%0.70125%0.253SS*.THydrogen-bonded Turntrans-62.8-26.9173.2-169.862.212.100111.9W278 L279 S280Q276-W278 PolarHBondContact O-N 2.92Å; Q276-W278 VanDerWaalsContact O-N 3.16Å; Q276-L279 PolarHBondContact O-N 3.45Å; Q276-L279 VanDerWaalsContact O-N 3.1Å; Q276-S280 PolarHBondContact O-N 2.97Å
277S95.7Very high95.4Very high29 Ų2944.4 Ų44.420%0.20324%0.244CC..Hα-helixtrans-58.2-29.7178.680.70000112.6R197 P275 L279 S280 E281R197-S277 PolarHBondContact NH1-OG 2.86Å; R197-S277 PolarHBondContact NH2-OG 3.15Å; P275-S277 PolarHBondContact O-N 3.14Å; S277-L279 VanDerWaalsContact C-N 3.31Å; S277-L279 PolarHBondContact O-N 3.49Å; S277-S280 WeakPolarHBondContact CA-OG 3.48Å; S277-S280 PolarHBondContact O-N 3.1Å; S277-S280 PolarHBondContact O-OG 2.87Å; S277-E281 WeakPolarHBondContact CB-OE1 3.38Å; S277-E281 WeakPolarHBondContact O-CB 3.34Å; S277-E281 WeakPolarHBondContact O-CG 3.21Å; S277-E281 PolarHBondContact O-N 3.41Å; S277-E281 PolarHBondContact OG-OE1 3.29Å
278W96.4Very high95.4Very high0 Ų051.1 Ų51.10%027%0.273CS..Hα-helixtrans-58.9-41.8177-73.715.6000112.6I190 D194 V198 V274 P275 Q276 F282 Y310 L318 V319 L322I190-W278 HydrophobicContact CG2-CD2 3.85Å; I190-W278 HydrophobicContact CG2-CG 4.2Å; I190-W278 HydrophobicContact CG2-CH2 4.24Å; I190-W278 HydrophobicContact CG2-CZ2 3.53Å; D194-W278 HydrophobicContact CB-CZ2 3.96Å; D194-W278 PolarHBondContact OD2-NE1 3.45Å; V198-W278 HydrophobicContact CG2-CH2 3.51Å; V198-W278 HydrophobicContact CG2-CZ2 3.4Å; V274-W278 HydrophobicContact CB-CD2 4.03Å; V274-W278 HydrophobicContact CB-CE3 3.69Å; V274-W278 HydrophobicContact CB-CH2 4.37Å; V274-W278 HydrophobicContact CB-CZ3 3.88Å; V274-W278 HydrophobicContact CG1-CE3 3.86Å; V274-W278 HydrophobicContact CG1-CH2 3.98Å; V274-W278 HydrophobicContact CG1-CZ3 3.52Å; V274-W278 HydrophobicContact CG2-CD2 4.48Å; V274-W278 HydrophobicContact CG2-CE3 4Å; V274-W278 HydrophobicContact CG2-CZ3 4.5Å; P275-W278 WeakPolarHBondContact O-CB 3.27Å; P275-W278 PolarHBondContact O-N 3.44Å; Q276-W278 PolarHBondContact O-N 2.92Å; Q276-W278 VanDerWaalsContact O-N 3.16Å; W278-F282 WeakPolarHBondContact O-CB 3.35Å; W278-F282 PolarHBondContact O-N 3.25Å; W278-Y310 HydrophobicContact CB-CE2 3.92Å; W278-Y310 WeakPolarHBondContact CB-OH 3.4Å; W278-L318 HydrophobicContact CD2-CD1 4.34Å; W278-L318 HydrophobicContact CE3-CB 4.44Å; W278-L318 HydrophobicContact CE3-CD1 3.74Å; W278-L318 HydrophobicContact CH2-CB 3.87Å; W278-L318 HydrophobicContact CH2-CD1 4.21Å; W278-L318 HydrophobicContact CZ3-CB 3.56Å; W278-L318 HydrophobicContact CZ3-CD1 3.67Å; W278-L318 HydrophobicContact CZ3-CG 4.29Å; W278-V319 HydrophobicContact CZ3-CG2 4.24Å; W278-L322 HydrophobicContact CH2-CD1 3.93Å; W278-L322 HydrophobicContact CZ2-CD1 4.26Å
279L96.5Very high95.1Very high25 Ų2552.6 Ų52.613%0.13128%0.281CS..Hα-helixtrans-69.1-46.7178.3174.762.2000110.3Q276 S277 F282 L283 K307 Y310Q276-L279 PolarHBondContact O-N 3.45Å; Q276-L279 VanDerWaalsContact O-N 3.1Å; S277-L279 VanDerWaalsContact C-N 3.31Å; S277-L279 PolarHBondContact O-N 3.49Å; L279-F282 PolarHBondContact O-N 3.36Å; L279-L283 HydrophobicContact CD1-CD1 3.84Å; L279-L283 HydrophobicContact CD1-CD2 4.37Å; L279-L283 HydrophobicContact CD1-CG 3.85Å; L279-L283 HydrophobicContact CG-CD1 3.96Å; L279-L283 HydrophobicContact CG-CG 4.32Å; L279-L283 WeakPolarHBondContact O-CB 3.22Å; L279-L283 VanDerWaalsContact O-CG 3.27Å; L279-L283 WeakPolarHBondContact O-CG 3.47Å; L279-L283 PolarHBondContact O-N 3.49Å; L279-K307 HydrophobicContact CD1-CG 4.49Å; L279-Y310 HydrophobicContact CB-CD1 4.13Å; L279-Y310 HydrophobicContact CB-CE1 3.78Å; L279-Y310 HydrophobicContact CD1-CD1 3.46Å; L279-Y310 VanDerWaalsContact CD1-CD1 3.46Å; L279-Y310 HydrophobicContact CD1-CE1 4.03Å; L279-Y310 HydrophobicContact CD1-CG 3.73Å; L279-Y310 HydrophobicContact CG-CD1 4.31Å; L279-Y310 HydrophobicContact CG-CE1 4.4Å
280S96.3Very high94.6Very high68 Ų6847.8 Ų47.848%0.47626%0.261SS..Hα-helixtrans-65.5-41.1-179.254.80000112.2Q276 S277 L283 A284Q276-S280 PolarHBondContact O-N 2.97Å; S277-S280 WeakPolarHBondContact CA-OG 3.48Å; S277-S280 PolarHBondContact O-N 3.1Å; S277-S280 PolarHBondContact O-OG 2.87Å; S280-L283 PolarHBondContact O-N 2.87Å; S280-A284 VanDerWaalsContact O-CB 3.22Å; S280-A284 WeakPolarHBondContact O-CB 3.44Å; S280-A284 PolarHBondContact O-N 3.37Å
281E96.6Very high93.7Very high45 Ų4546.3 Ų46.321%0.2126%0.261CS..Hα-helixtrans-62.8-44.3175.5-71.2170.9-104.100110.7L186 R193 S277 A284 E285L186-E281 HydrophobicContact CD1-CB 4.37Å; R193-E281 IonicContact CZ-OE1 3.9Å; R193-E281 IonicContact CZ-OE2 2.74Å; R193-E281 VanDerWaalsContact CZ-OE2 3.31Å; R193-E281 IonicContact NH1-OE1 3.31Å; R193-E281 IonicContact NH1-OE2 3.91Å; R193-E281 PolarHBondContact NH1-OE2 3Å; R193-E281 VanDerWaalsContact NH2-CD 3.3Å; R193-E281 IonicContact NH2-OE1 2.8Å; R193-E281 PolarHBondContact NH2-OE1 2.95Å; R193-E281 IonicContact NH2-OE2 2.73Å; R193-E281 PolarHBondContact NH2-OE2 2.96Å; S277-E281 WeakPolarHBondContact CB-OE1 3.38Å; S277-E281 WeakPolarHBondContact O-CB 3.34Å; S277-E281 WeakPolarHBondContact O-CG 3.21Å; S277-E281 PolarHBondContact O-N 3.41Å; S277-E281 PolarHBondContact OG-OE1 3.29Å; E281-A284 PolarHBondContact O-N 2.99Å; E281-E285 WeakPolarHBondContact O-CB 3.41Å; E281-E285 PolarHBondContact O-N 2.94Å
282F96.8Very high92.7Very high1 Ų151.2 Ų51.20%0.00428%0.281CS..Hα-helixtrans-62.5-49.4175.9-174.9-95.3000111.6I177 I183 L187 W278 L279 A284 E285 T286 S306 C309 Y310 V314I177-F282 HydrophobicContact CG2-CZ 3.85Å; I183-F282 HydrophobicContact CD1-CE2 4.4Å; I183-F282 HydrophobicContact CG2-CE2 3.79Å; L187-F282 HydrophobicContact CD2-CD2 4.3Å; W278-F282 WeakPolarHBondContact O-CB 3.35Å; W278-F282 PolarHBondContact O-N 3.25Å; L279-F282 PolarHBondContact O-N 3.36Å; F282-A284 PolarHBondContact O-N 3.12Å; F282-E285 PolarHBondContact O-N 3.39Å; F282-T286 HydrophobicContact CD1-CG2 4.05Å; F282-T286 HydrophobicContact CE1-CG2 3.65Å; F282-T286 HydrophobicContact CE2-CG2 4.38Å; F282-T286 HydrophobicContact CZ-CG2 3.84Å; F282-T286 WeakPolarHBondContact O-CG2 3.43Å; F282-T286 PolarHBondContact O-N 3.3Å; F282-T286 PolarHBondContact O-OG1 2.87Å; F282-S306 WeakPolarHBondContact CE1-O 3.44Å; F282-C309 HydrophobicContact CE1-CB 4.35Å; F282-C309 HydrophobicContact CZ-CB 4.4Å; F282-Y310 HydrophobicContact CB-CD2 3.92Å; F282-Y310 HydrophobicContact CB-CE2 4.5Å; F282-Y310 HydrophobicContact CD1-CD2 4.19Å; F282-Y310 HydrophobicContact CD1-CG 4.38Å; F282-Y310 AromaticContact CG-CD2 3.96Å; F282-Y310 HydrophobicContact CG-CD2 3.96Å; F282-V314 HydrophobicContact CD2-CG1 4.27Å; F282-V314 HydrophobicContact CD2-CG2 4.35Å; F282-V314 HydrophobicContact CE2-CG1 4.32Å; F282-V314 HydrophobicContact CE2-CG2 3.68Å; F282-V314 HydrophobicContact CZ-CG2 3.81Å
283L95.8Very high91.7Very high52 Ų5255.4 Ų55.427%0.27231%0.314SS..Hα-helixtrans-61.1-44.1178.9-70179.1000111.7L279 S280 E285 T286 A287 K307L279-L283 HydrophobicContact CD1-CD1 3.84Å; L279-L283 HydrophobicContact CD1-CD2 4.37Å; L279-L283 HydrophobicContact CD1-CG 3.85Å; L279-L283 HydrophobicContact CG-CD1 3.96Å; L279-L283 HydrophobicContact CG-CG 4.32Å; L279-L283 WeakPolarHBondContact O-CB 3.22Å; L279-L283 VanDerWaalsContact O-CG 3.27Å; L279-L283 WeakPolarHBondContact O-CG 3.47Å; L279-L283 PolarHBondContact O-N 3.49Å; S280-L283 PolarHBondContact O-N 2.87Å; L283-E285 VanDerWaalsContact C-N 3.32Å; L283-E285 PolarHBondContact O-N 2.98Å; L283-T286 WeakPolarHBondContact CA-OG1 3.45Å; L283-T286 PolarHBondContact O-N 3.39Å; L283-T286 PolarHBondContact O-OG1 3.03Å; L283-A287 WeakPolarHBondContact O-CB 3.35Å; L283-A287 PolarHBondContact O-N 3.48Å; L283-K307 HydrophobicContact CD2-CB 4.34Å
284A95.1Very high90.8Very high53 Ų5352.8 Ų52.844%0.43830%0.3SS..Hα-helixtrans-60-41.9176.900000112S280 E281 F282 A287 K288S280-A284 VanDerWaalsContact O-CB 3.22Å; S280-A284 WeakPolarHBondContact O-CB 3.44Å; S280-A284 PolarHBondContact O-N 3.37Å; E281-A284 PolarHBondContact O-N 2.99Å; F282-A284 PolarHBondContact O-N 3.12Å; A284-A287 PolarHBondContact O-N 3.21Å; A284-K288 PolarHBondContact O-N 2.84Å
285E95.4Very high90.5Very high27 Ų2754.7 Ų54.713%0.12631%0.313CS..Hα-helixtrans-70-38.1177.8-160.863.8-156.500112S182 I183 L186 E281 F282 L283 A287 K288S182-E285 WeakPolarHBondContact CB-OE1 3.42Å; I183-E285 HydrophobicContact CD1-CB 3.9Å; I183-E285 HydrophobicContact CD1-CG 3.73Å; L186-E285 HydrophobicContact CB-CG 4.41Å; L186-E285 HydrophobicContact CD2-CB 3.66Å; L186-E285 HydrophobicContact CD2-CG 4.06Å; E281-E285 WeakPolarHBondContact O-CB 3.41Å; E281-E285 PolarHBondContact O-N 2.94Å; F282-E285 PolarHBondContact O-N 3.39Å; L283-E285 VanDerWaalsContact C-N 3.32Å; L283-E285 PolarHBondContact O-N 2.98Å; E285-A287 VanDerWaalsContact C-N 3.32Å; E285-A287 PolarHBondContact O-N 3.48Å; E285-K288 WeakPolarHBondContact O-CB 3.4Å; E285-K288 PolarHBondContact O-N 3.2Å; E285-K288 IonicContact OE1-NZ 3.87Å; E285-K288 IonicContact OE2-NZ 2.84Å; E285-K288 PolarHBondContact OE2-NZ 3.11Å
286T93.8Very high90.3Very high3 Ų358.7 Ų58.72%0.01834%0.341CS..Hα-helixtrans-67.1-32.3174.762.60000113I177 I183 F282 L283 K288 L289 S306I177-T286 HydrophobicContact CD1-CG2 4.38Å; I177-T286 HydrophobicContact CG2-CG2 3.54Å; I183-T286 HydrophobicContact CD1-CG2 3.77Å; F282-T286 HydrophobicContact CD1-CG2 4.05Å; F282-T286 HydrophobicContact CE1-CG2 3.65Å; F282-T286 HydrophobicContact CE2-CG2 4.38Å; F282-T286 HydrophobicContact CZ-CG2 3.84Å; F282-T286 WeakPolarHBondContact O-CG2 3.43Å; F282-T286 PolarHBondContact O-N 3.3Å; F282-T286 PolarHBondContact O-OG1 2.87Å; L283-T286 WeakPolarHBondContact CA-OG1 3.45Å; L283-T286 PolarHBondContact O-N 3.39Å; L283-T286 PolarHBondContact O-OG1 3.03Å; T286-K288 PolarHBondContact O-N 3.35Å; T286-L289 VanDerWaalsContact O-CB 3.29Å; T286-L289 WeakPolarHBondContact O-CB 3.18Å; T286-L289 PolarHBondContact O-N 3.48Å; T286-L289 VanDerWaalsContact O-N 3.09Å; T286-S306 VanDerWaalsContact CB-OG 3.26Å; T286-S306 WeakPolarHBondContact CB-OG 3.34Å; T286-S306 WeakPolarHBondContact OG1-CB 3.48Å; T286-S306 PolarHBondContact OG1-OG 2.92Å
287A92.5Very high90.3Very high63 Ų6356.8 Ų56.852%0.52133%0.332SS..Hα-helixtrans-64.6-29177.300000112.3L283 A284 E285 L289 M290L283-A287 WeakPolarHBondContact O-CB 3.35Å; L283-A287 PolarHBondContact O-N 3.48Å; A284-A287 PolarHBondContact O-N 3.21Å; E285-A287 VanDerWaalsContact C-N 3.32Å; E285-A287 PolarHBondContact O-N 3.48Å; A287-L289 PolarHBondContact O-N 2.87Å; A287-M290 WeakPolarHBondContact O-CB 3.2Å; A287-M290 PolarHBondContact O-N 3.37Å
288K92.2Very high90.2Very high144 Ų14455.4 Ų55.463%0.62632%0.323SS*.THydrogen-bonded Turntrans-69.7-17.8174.9-62.3171.6-171.5169.50113.5A284 E285 T286 M290A284-K288 PolarHBondContact O-N 2.84Å; E285-K288 WeakPolarHBondContact O-CB 3.4Å; E285-K288 PolarHBondContact O-N 3.2Å; E285-K288 IonicContact OE1-NZ 3.87Å; E285-K288 IonicContact OE2-NZ 2.84Å; E285-K288 PolarHBondContact OE2-NZ 3.11Å; T286-K288 PolarHBondContact O-N 3.35Å; K288-M290 PolarHBondContact O-N 2.93Å
289L89Confident89.9Confident36 Ų3659.6 Ų59.619%0.18834%0.341CS..THydrogen-bonded Turntrans-76.4-16177.9-56.9175.8000112.3L143 I177 K180 I183 T286 A287L143-L289 HydrophobicContact CD1-CB 4.27Å; I177-L289 HydrophobicContact CG1-CD1 4.16Å; I177-L289 HydrophobicContact CG2-CD1 4.47Å; K180-L289 HydrophobicContact CB-CD1 4.38Å; K180-L289 HydrophobicContact CB-CD2 4.2Å; K180-L289 HydrophobicContact CD-CD2 4.21Å; K180-L289 HydrophobicContact CG-CD1 3.81Å; K180-L289 HydrophobicContact CG-CD2 3.81Å; K180-L289 HydrophobicContact CG-CG 4.45Å; I183-L289 HydrophobicContact CD1-CD1 4.44Å; I183-L289 HydrophobicContact CG1-CD1 4.19Å; T286-L289 VanDerWaalsContact O-CB 3.29Å; T286-L289 WeakPolarHBondContact O-CB 3.18Å; T286-L289 PolarHBondContact O-N 3.48Å; T286-L289 VanDerWaalsContact O-N 3.09Å; A287-L289 PolarHBondContact O-N 2.87Å
290M85.5Confident89.8Confident22 Ų2261.4 Ų61.411%0.10836%0.36CS..SBendtrans-84.8142.4-178.2-65.6-89.8-65.100111.6L143 A287 K288 K292 K299 V302L143-M290 HydrophobicContact CD1-SD 4.4Å; L143-M290 WeakPolarHBondContact O-CA 3.08Å; A287-M290 WeakPolarHBondContact O-CB 3.2Å; A287-M290 PolarHBondContact O-N 3.37Å; K288-M290 PolarHBondContact O-N 2.93Å; M290-K292 PolarHBondContact O-N 3.19Å; M290-K299 VanDerWaalsContact CE-CA 3.41Å; M290-K299 HydrophobicContact CE-CB 3.98Å; M290-K299 HydrophobicContact CE-CG 3.39Å; M290-V302 HydrophobicContact CE-CB 4.25Å; M290-V302 HydrophobicContact CE-CG2 4.27Å; M290-V302 HydrophobicContact CG-CG1 4.17Å; M290-V302 HydrophobicContact SD-CB 3.58Å; M290-V302 VanDerWaalsContact SD-CB 3.58Å; M290-V302 HydrophobicContact SD-CG1 3.63Å; M290-V302 HydrophobicContact SD-CG2 3.5Å; M290-V302 VanDerWaalsContact SD-CG2 3.5Å
291G75.2Confident89.7Confident23 Ų2359.3 Ų59.324%0.23734%0.342CS..  trans-57.5134.116900000111.5G144 S293 G294G144-G291 VanDerWaalsContact O-CA 3.26Å; G144-G291 WeakPolarHBondContact O-CA 3.4Å; G144-G291 PolarHBondContact O-N 3.41Å; G291-S293 PolarHBondContact O-N 2.86Å; G291-G294 PolarHBondContact O-N 2.82Å
292K76.1Confident89.6Confident204 Ų20457.3 Ų57.389%0.88733%0.333SS*.THydrogen-bonded Turntrans-54.2-40.3-178.5-66-176.7-179.4179.40111.6M290 G294 K299M290-K292 PolarHBondContact O-N 3.19Å; K292-G294 VanDerWaalsContact C-N 3.29Å; K292-G294 PolarHBondContact O-N 3.3Å; K292-K299 PolarHBondContact O-NZ 2.89Å; K292-K299 VanDerWaalsContact O-NZ 3.1Å
293S76.4Confident89.5Confident123 Ų12359.7 Ų59.786%0.8635%0.352SS*.THydrogen-bonded Turntrans-83.38.4-177.8-41.90000114.8G291G291-S293 PolarHBondContact O-N 2.86Å
294G77.3Confident89.5Confident7 Ų760.4 Ų60.47%0.07236%0.362CS..  trans-61.8144.5179.600000113.3G146 G291 K292 K299G146-G294 CarbonylContact O-C 3.55Å; G146-G294 VanDerWaalsContact O-CA 3.28Å; G146-G294 WeakPolarHBondContact O-CA 3.46Å; G291-G294 PolarHBondContact O-N 2.82Å; K292-G294 VanDerWaalsContact C-N 3.29Å; K292-G294 PolarHBondContact O-N 3.3Å; G294-K299 WeakPolarHBondContact O-CE 3.37Å; G294-K299 PolarHBondContact O-NZ 2.99Å
295C89.4Confident89.5Confident56 Ų5658 Ų5838%0.37834%0.342SS..  trans-64.8154.2176.169.20000111.6G146 E297 A298 K299G146-C295 PolarHBondContact O-N 2.94Å; G146-C295 PolarHBondContact O-SG 3.17Å; C295-E297 VanDerWaalsContact C-N 3.26Å; C295-E297 PolarHBondContact O-N 3.07Å; C295-A298 PolarHBondContact O-N 3.16Å; C295-A298 WeakPolarHBondContact SG-CB 3.3Å; C295-A298 PolarHBondContact SG-N 3.03Å; C295-K299 WeakPolarHBondContact O-CG 3.12Å; C295-K299 PolarHBondContact O-N 3.17Å
296S91.5Very high89.5Confident101 Ų10156.8 Ų56.871%0.70634%0.336SS*.Hα-helixtrans-59.2-38.4-177.7-172.40000112.2K299 A300S296-K299 WeakPolarHBondContact O-CB 3.48Å; S296-K299 PolarHBondContact O-N 3.23Å; S296-A300 PolarHBondContact O-N 2.89Å
297E93.1Very high89.6Confident111 Ų11162.3 Ų62.352%0.51936%0.36SS..Hα-helixtrans-65.4-48.6-178.1-147.3-157.8145.600111.7M148 R166 C295 K299 A300 F301M148-E297 HydrophobicContact CE-CB 3.77Å; M148-E297 HydrophobicContact CE-CG 3.47Å; M148-E297 VanDerWaalsContact CE-CG 3.47Å; M148-E297 WeakPolarHBondContact CE-O 3.37Å; M148-E297 WeakPolarHBondContact CE-OE1 3.32Å; M148-E297 HydrophobicContact CG-CB 4.36Å; M148-E297 HydrophobicContact CG-CG 4.44Å; R166-E297 IonicContact NH2-OE1 3.33Å; C295-E297 VanDerWaalsContact C-N 3.26Å; C295-E297 PolarHBondContact O-N 3.07Å; E297-K299 VanDerWaalsContact C-N 3.28Å; E297-K299 PolarHBondContact O-N 3.41Å; E297-A300 WeakPolarHBondContact O-CB 3.32Å; E297-A300 PolarHBondContact O-N 2.65Å; E297-A300 VanDerWaalsContact O-N 3.13Å; E297-F301 PolarHBondContact O-N 3Å
298A92.5Very high89.7Confident0 Ų061.6 Ų61.60%035%0.349CS..Hα-helixtrans-60.8-39.2176.600000111.7G146 M148 C295 A300 F301 V302G146-A298 VanDerWaalsContact O-CB 3.24Å; G146-A298 WeakPolarHBondContact O-CB 3.48Å; M148-A298 HydrophobicContact CB-CB 4.27Å; M148-A298 HydrophobicContact SD-CB 4.05Å; C295-A298 PolarHBondContact O-N 3.16Å; C295-A298 WeakPolarHBondContact SG-CB 3.3Å; C295-A298 PolarHBondContact SG-N 3.03Å; A298-A300 PolarHBondContact O-N 3.37Å; A298-F301 PolarHBondContact O-N 3.48Å; A298-V302 WeakPolarHBondContact O-CG2 3.31Å; A298-V302 PolarHBondContact O-N 2.66Å
299K91.9Very high89.7Confident88 Ų8854.8 Ų54.838%0.38332%0.319SS..Hα-helixtrans-58.4-45.7173.7-74.8167172.5161.20111.8M290 K292 G294 C295 S296 E297 A303M290-K299 VanDerWaalsContact CE-CA 3.41Å; M290-K299 HydrophobicContact CE-CB 3.98Å; M290-K299 HydrophobicContact CE-CG 3.39Å; K292-K299 PolarHBondContact O-NZ 2.89Å; K292-K299 VanDerWaalsContact O-NZ 3.1Å; G294-K299 WeakPolarHBondContact O-CE 3.37Å; G294-K299 PolarHBondContact O-NZ 2.99Å; C295-K299 WeakPolarHBondContact O-CG 3.12Å; C295-K299 PolarHBondContact O-N 3.17Å; S296-K299 WeakPolarHBondContact O-CB 3.48Å; S296-K299 PolarHBondContact O-N 3.23Å; E297-K299 VanDerWaalsContact C-N 3.28Å; E297-K299 PolarHBondContact O-N 3.41Å; K299-A303 VanDerWaalsContact O-CB 3.28Å; K299-A303 WeakPolarHBondContact O-CB 3.43Å; K299-A303 PolarHBondContact O-N 2.94Å
300A93.8Very high90Very high63 Ų6353.5 Ų53.552%0.52131%0.312SS..Hα-helixtrans-64.1-42.4176.900000112.3S296 E297 A298 A303 S304S296-A300 PolarHBondContact O-N 2.89Å; E297-A300 WeakPolarHBondContact O-CB 3.32Å; E297-A300 PolarHBondContact O-N 2.65Å; E297-A300 VanDerWaalsContact O-N 3.13Å; A298-A300 PolarHBondContact O-N 3.37Å; A300-A303 PolarHBondContact O-N 2.85Å; A300-S304 WeakPolarHBondContact O-CB 3.28Å; A300-S304 PolarHBondContact O-N 3.18Å
301F94.6Very high90.3Very high24 Ų2456.5 Ų56.511%0.10533%0.332CS..Hα-helixtrans-67.2-43.3179.5176.3-114.8000113.1M148 F149 R166 V169 I173 E297 A298 S304 C305M148-F301 HydrophobicContact CE-CB 3.54Å; M148-F301 HydrophobicContact CE-CG 4.25Å; M148-F301 HydrophobicContact SD-CB 4.19Å; M148-F301 HydrophobicContact SD-CD1 4.41Å; F149-F301 HydrophobicContact CE1-CD1 4.18Å; F149-F301 AromaticContact CE1-CE1 3.7Å; F149-F301 HydrophobicContact CE1-CE1 3.7Å; F149-F301 HydrophobicContact CE1-CZ 4.37Å; F149-F301 HydrophobicContact CZ-CE1 4.01Å; F149-F301 HydrophobicContact CZ-CZ 4.22Å; R166-F301 HydrophobicContact CG-CD2 4.19Å; R166-F301 HydrophobicContact CG-CE2 3.35Å; R166-F301 HydrophobicContact CG-CZ 3.74Å; R166-F301 WeakPolarHBondContact O-CZ 3.38Å; V169-F301 HydrophobicContact CG1-CE1 4.14Å; I173-F301 HydrophobicContact CD1-CD1 4.13Å; I173-F301 HydrophobicContact CD1-CE1 3.6Å; E297-F301 PolarHBondContact O-N 3Å; A298-F301 PolarHBondContact O-N 3.48Å; F301-S304 WeakPolarHBondContact O-CB 3.41Å; F301-S304 PolarHBondContact O-N 3.39Å; F301-C305 PolarHBondContact O-N 3.5Å; F301-C305 PolarHBondContact O-SG 3.06Å
302V94.2Very high90.9Very high3 Ų363 Ų632%0.01835%0.353CS..Hα-helixtrans-65.3-41.7175.3173.70000110.8L143 I173 M290 A298 S304 C305 S306L143-V302 HydrophobicContact CD1-CG1 3.78Å; I173-V302 HydrophobicContact CD1-CG2 4.27Å; I173-V302 HydrophobicContact CG2-CG1 4.44Å; M290-V302 HydrophobicContact CE-CB 4.25Å; M290-V302 HydrophobicContact CE-CG2 4.27Å; M290-V302 HydrophobicContact CG-CG1 4.17Å; M290-V302 HydrophobicContact SD-CB 3.58Å; M290-V302 VanDerWaalsContact SD-CB 3.58Å; M290-V302 HydrophobicContact SD-CG1 3.63Å; M290-V302 HydrophobicContact SD-CG2 3.5Å; M290-V302 VanDerWaalsContact SD-CG2 3.5Å; A298-V302 WeakPolarHBondContact O-CG2 3.31Å; A298-V302 PolarHBondContact O-N 2.66Å; V302-S304 VanDerWaalsContact C-N 3.3Å; V302-S304 PolarHBondContact O-N 2.86Å; V302-C305 CarbonylContact O-C 3.46Å; V302-C305 WeakPolarHBondContact O-CB 3.33Å; V302-C305 PolarHBondContact O-N 3.15Å; V302-C305 VanDerWaalsContact O-N 3.12Å; V302-S306 PolarHBondContact O-N 3.34Å; V302-S306 PolarHBondContact O-OG 3.36Å; V302-S306 VanDerWaalsContact O-OG 3.12Å
303A94.3Very high91.4Very high50 Ų5056.3 Ų56.341%0.41333%0.33SS..Hα-helixtrans-59.6-40.4174.700000112.2K299 A300 S306 K307K299-A303 VanDerWaalsContact O-CB 3.28Å; K299-A303 WeakPolarHBondContact O-CB 3.43Å; K299-A303 PolarHBondContact O-N 2.94Å; A300-A303 PolarHBondContact O-N 2.85Å; A303-S306 PolarHBondContact O-N 3.4Å; A303-K307 WeakPolarHBondContact O-CB 3.47Å; A303-K307 PolarHBondContact O-N 3.33Å
304S95.7Very high92.1Very high67 Ų6750.5 Ų50.547%0.46929%0.289SS..Hα-helixtrans-61.1-47.5172.6-177.40000111.4A300 F301 V302 S306 K307 V308A300-S304 WeakPolarHBondContact O-CB 3.28Å; A300-S304 PolarHBondContact O-N 3.18Å; F301-S304 WeakPolarHBondContact O-CB 3.41Å; F301-S304 PolarHBondContact O-N 3.39Å; V302-S304 VanDerWaalsContact C-N 3.3Å; V302-S304 PolarHBondContact O-N 2.86Å; S304-S306 PolarHBondContact O-N 3.11Å; S304-K307 PolarHBondContact O-N 3.19Å; S304-V308 WeakPolarHBondContact O-CG2 3.35Å; S304-V308 PolarHBondContact O-N 3.38Å
305C94.7Very high92.9Very high4 Ų454.7 Ų54.73%0.02730%0.303CS..Hα-helixtrans-59.3-44176.2-69.90000112.2G170 I173 R174 F301 V302 V308 C309G170-C305 VanDerWaalsContact CA-SG 3.56Å; I173-C305 HydrophobicContact CG2-CB 3.99Å; R174-C305 HydrophobicContact CG-CB 4.26Å; R174-C305 WeakPolarHBondContact CG-O 3.28Å; F301-C305 PolarHBondContact O-N 3.5Å; F301-C305 PolarHBondContact O-SG 3.06Å; V302-C305 CarbonylContact O-C 3.46Å; V302-C305 WeakPolarHBondContact O-CB 3.33Å; V302-C305 PolarHBondContact O-N 3.15Å; V302-C305 VanDerWaalsContact O-N 3.12Å; C305-V308 PolarHBondContact O-N 3.1Å; C305-C309 WeakPolarHBondContact O-CB 3.23Å; C305-C309 PolarHBondContact O-N 3.24Å
306S95.3Very high92.9Very high0 Ų054.3 Ų54.30%030%0.303CS..Hα-helixtrans-60.7-44.4175.4-640000111.7I177 F282 T286 V302 A303 S304 V308 C309 Y310I177-S306 WeakPolarHBondContact CD1-OG 3.44Å; F282-S306 WeakPolarHBondContact CE1-O 3.44Å; T286-S306 VanDerWaalsContact CB-OG 3.26Å; T286-S306 WeakPolarHBondContact CB-OG 3.34Å; T286-S306 WeakPolarHBondContact OG1-CB 3.48Å; T286-S306 PolarHBondContact OG1-OG 2.92Å; V302-S306 PolarHBondContact O-N 3.34Å; V302-S306 PolarHBondContact O-OG 3.36Å; V302-S306 VanDerWaalsContact O-OG 3.12Å; A303-S306 PolarHBondContact O-N 3.4Å; S304-S306 PolarHBondContact O-N 3.11Å; S306-V308 PolarHBondContact O-N 3.22Å; S306-C309 WeakPolarHBondContact O-CB 3.21Å; S306-C309 PolarHBondContact O-N 2.98Å; S306-Y310 WeakPolarHBondContact O-CB 3.5Å; S306-Y310 PolarHBondContact O-N 2.65Å
307K96.4Very high92.8Very high120 Ų12052.3 Ų52.352%0.52228%0.28SS..Hα-helixtrans-62.2-42.8177.3-171.7176.6-177.81790111.6L279 L283 A303 S304 Y310 T311L279-K307 HydrophobicContact CD1-CG 4.49Å; L283-K307 HydrophobicContact CD2-CB 4.34Å; A303-K307 WeakPolarHBondContact O-CB 3.47Å; A303-K307 PolarHBondContact O-N 3.33Å; S304-K307 PolarHBondContact O-N 3.19Å; K307-Y310 PolarHBondContact O-N 3.48Å; K307-T311 WeakPolarHBondContact O-CB 3.34Å; K307-T311 PolarHBondContact O-N 3.41Å; K307-T311 PolarHBondContact O-OG1 3.35Å; K307-T311 VanDerWaalsContact O-OG1 3.07Å
308V94Very high92.7Very high47 Ų4747.2 Ų47.229%0.28526%0.256SS..Hα-helixtrans-64.3-43.3175.1174.10000111S304 C305 S306 Y310 T311 K312S304-V308 WeakPolarHBondContact O-CG2 3.35Å; S304-V308 PolarHBondContact O-N 3.38Å; C305-V308 PolarHBondContact O-N 3.1Å; S306-V308 PolarHBondContact O-N 3.22Å; V308-Y310 VanDerWaalsContact C-N 3.33Å; V308-Y310 PolarHBondContact O-N 3Å; V308-T311 PolarHBondContact O-N 3.48Å; V308-K312 HydrophobicContact CG1-CD 3.92Å; V308-K312 HydrophobicContact CG1-CG 4.33Å; V308-K312 WeakPolarHBondContact O-CB 3.48Å; V308-K312 PolarHBondContact O-N 3.02Å
309C92.1Very high92.8Very high1 Ų147.5 Ų47.51%0.00726%0.258CS..Hα-helixtrans-56.6-48.3175.8-166.20000111.4R174 F282 C305 S306 V313 V314R174-C309 HydrophobicContact CB-CB 4.2Å; R174-C309 HydrophobicContact CG-CB 3.82Å; F282-C309 HydrophobicContact CE1-CB 4.35Å; F282-C309 HydrophobicContact CZ-CB 4.4Å; C305-C309 WeakPolarHBondContact O-CB 3.23Å; C305-C309 PolarHBondContact O-N 3.24Å; S306-C309 WeakPolarHBondContact O-CB 3.21Å; S306-C309 PolarHBondContact O-N 2.98Å; C309-V313 WeakPolarHBondContact O-CA 3.26Å; C309-V313 WeakPolarHBondContact O-CB 3.4Å; C309-V313 PolarHBondContact O-N 2.9Å; C309-V314 PolarHBondContact O-N 3.13Å; C309-V314 VanDerWaalsContact O-N 3.15Å
310Y95.3Very high92.6Very high10 Ų1047.4 Ų47.44%0.03926%0.262CS..Iπ-helixtrans-60.6-54.3-180175.6-94.6000111.4W278 L279 F282 S306 K307 V308 K312 V314 R315W278-Y310 HydrophobicContact CB-CE2 3.92Å; W278-Y310 WeakPolarHBondContact CB-OH 3.4Å; L279-Y310 HydrophobicContact CB-CD1 4.13Å; L279-Y310 HydrophobicContact CB-CE1 3.78Å; L279-Y310 HydrophobicContact CD1-CD1 3.46Å; L279-Y310 VanDerWaalsContact CD1-CD1 3.46Å; L279-Y310 HydrophobicContact CD1-CE1 4.03Å; L279-Y310 HydrophobicContact CD1-CG 3.73Å; L279-Y310 HydrophobicContact CG-CD1 4.31Å; L279-Y310 HydrophobicContact CG-CE1 4.4Å; F282-Y310 HydrophobicContact CB-CD2 3.92Å; F282-Y310 HydrophobicContact CB-CE2 4.5Å; F282-Y310 HydrophobicContact CD1-CD2 4.19Å; F282-Y310 HydrophobicContact CD1-CG 4.38Å; F282-Y310 AromaticContact CG-CD2 3.96Å; F282-Y310 HydrophobicContact CG-CD2 3.96Å; S306-Y310 WeakPolarHBondContact O-CB 3.5Å; S306-Y310 PolarHBondContact O-N 2.65Å; K307-Y310 PolarHBondContact O-N 3.48Å; V308-Y310 VanDerWaalsContact C-N 3.33Å; V308-Y310 PolarHBondContact O-N 3Å; Y310-K312 PolarHBondContact O-N 3.44Å; Y310-V314 HydrophobicContact CD2-CB 4.1Å; Y310-V314 HydrophobicContact CD2-CG1 4.1Å; Y310-V314 HydrophobicContact CE2-CG1 4.46Å; Y310-V314 PolarHBondContact O-N 3.29Å; Y310-R315 HydrophobicContact CE1-CB 4.25Å; Y310-R315 WeakPolarHBondContact O-CB 3.42Å; Y310-R315 PolarHBondContact O-N 3.04Å
311T92.6Very high92.5Very high85 Ų8546.8 Ų46.852%0.52125%0.246SC..Iπ-helixtrans-65-42-173.6-61.70000112.3K307 V308K307-T311 WeakPolarHBondContact O-CB 3.34Å; K307-T311 PolarHBondContact O-N 3.41Å; K307-T311 PolarHBondContact O-OG1 3.35Å; K307-T311 VanDerWaalsContact O-OG1 3.07Å; V308-T311 PolarHBondContact O-N 3.48Å
312K87.4Confident92.4Very high158 Ų15845.9 Ų45.969%0.68724%0.243SC*.Iπ-helixtrans-87-29.9-174.5-66.6-168.6177.2179.90113.9V308 Y310V308-K312 HydrophobicContact CG1-CD 3.92Å; V308-K312 HydrophobicContact CG1-CG 4.33Å; V308-K312 WeakPolarHBondContact O-CB 3.48Å; V308-K312 PolarHBondContact O-N 3.02Å; Y310-K312 PolarHBondContact O-N 3.44Å
313V87Confident92.4Very high64 Ų6446.2 Ų46.239%0.38824%0.243SC..Iπ-helixtrans-121.8-61.8-169.8-174.50000111.6L178 C309 R315 A316 R317L178-V313 HydrophobicContact CD1-CG1 4.07Å; C309-V313 WeakPolarHBondContact O-CA 3.26Å; C309-V313 WeakPolarHBondContact O-CB 3.4Å; C309-V313 PolarHBondContact O-N 2.9Å; V313-R315 PolarHBondContact O-N 3.48Å; V313-A316 PolarHBondContact O-N 2.87Å; V313-R317 WeakPolarHBondContact O-CB 3.28Å; V313-R317 PolarHBondContact O-N 3.42Å
314V91.5Very high92.3Very high1 Ų147.8 Ų47.81%0.00625%0.245CC..Iπ-helixtrans-62.9-47.5-168.6-179.90000111.7L178 L187 F282 C309 Y310 A316 R317 L318L178-V314 HydrophobicContact CD2-CG2 3.67Å; L187-V314 HydrophobicContact CD1-CG1 4.13Å; L187-V314 HydrophobicContact CD2-CG1 3.37Å; L187-V314 HydrophobicContact CG-CG1 4.4Å; F282-V314 HydrophobicContact CD2-CG1 4.27Å; F282-V314 HydrophobicContact CD2-CG2 4.35Å; F282-V314 HydrophobicContact CE2-CG1 4.32Å; F282-V314 HydrophobicContact CE2-CG2 3.68Å; F282-V314 HydrophobicContact CZ-CG2 3.81Å; C309-V314 PolarHBondContact O-N 3.13Å; C309-V314 VanDerWaalsContact O-N 3.15Å; Y310-V314 HydrophobicContact CD2-CB 4.1Å; Y310-V314 HydrophobicContact CD2-CG1 4.1Å; Y310-V314 HydrophobicContact CE2-CG1 4.46Å; Y310-V314 PolarHBondContact O-N 3.29Å; V314-A316 VanDerWaalsContact C-N 3.33Å; V314-A316 PolarHBondContact O-N 3.41Å; V314-R317 PolarHBondContact O-N 3.31Å; V314-L318 HydrophobicContact CG1-CD1 3.95Å; V314-L318 HydrophobicContact CG1-CG 4.34Å; V314-L318 PolarHBondContact O-N 3.4Å
315R93.8Very high92.1Very high96 Ų9650 Ų5036%0.36225%0.246SC..Hα-helixtrans-57.3-47.8-179.2177.7178.9175.3149.50111.2F272 V274 Y310 V313 V319F272-R315 PolarHBondContact O-NH2 2.88Å; V274-R315 HydrophobicContact CG2-CG 4.24Å; Y310-R315 HydrophobicContact CE1-CB 4.25Å; Y310-R315 WeakPolarHBondContact O-CB 3.42Å; Y310-R315 PolarHBondContact O-N 3.04Å; V313-R315 PolarHBondContact O-N 3.48Å; R315-V319 WeakPolarHBondContact O-CB 3.3Å; R315-V319 VanDerWaalsContact O-CG2 3.26Å; R315-V319 WeakPolarHBondContact O-CG2 3.39Å; R315-V319 PolarHBondContact O-N 3.2Å; R315-V319 VanDerWaalsContact O-N 3.12Å
316A88.9Confident92Very high47 Ų4750.5 Ų50.539%0.38825%0.25SS..Hα-helixtrans-65.4-43.2-179.700000111.4V313 V314 V319 N320V313-A316 PolarHBondContact O-N 2.87Å; V314-A316 VanDerWaalsContact C-N 3.33Å; V314-A316 PolarHBondContact O-N 3.41Å; A316-V319 PolarHBondContact O-N 3.13Å; A316-N320 VanDerWaalsContact O-CB 3.27Å; A316-N320 WeakPolarHBondContact O-CB 3.5Å; A316-N320 PolarHBondContact O-N 3.14Å; A316-N320 PolarHBondContact O-ND2 3.13Å
317R89Confident92Very high60 Ų6051 Ų5123%0.22625%0.253CS..Hα-helixtrans-60.5-49.8178.6-175.8169.1169.3-170-16.5112D113 V313 V314 N320 R321D113-R317 IonicContact OD1-CZ 2.65Å; D113-R317 IonicContact OD1-NE 2.91Å; D113-R317 PolarHBondContact OD1-NE 3.08Å; D113-R317 IonicContact OD1-NH2 2.85Å; D113-R317 PolarHBondContact OD1-NH2 3.43Å; D113-R317 IonicContact OD2-CZ 2.91Å; D113-R317 IonicContact OD2-NE 2.77Å; D113-R317 PolarHBondContact OD2-NE 3.26Å; D113-R317 IonicContact OD2-NH2 3.14Å; D113-R317 PolarHBondContact OD2-NH2 3.19Å; V313-R317 WeakPolarHBondContact O-CB 3.28Å; V313-R317 PolarHBondContact O-N 3.42Å; V314-R317 PolarHBondContact O-N 3.31Å; R317-N320 PolarHBondContact O-N 3.43Å; R317-R321 WeakPolarHBondContact O-CG 3.3Å; R317-R321 PolarHBondContact O-N 2.96Å
318L92.2Very high91.7Very high3 Ų349.5 Ų49.52%0.01625%0.247CC..Hα-helixtrans-60.4-49.1178-76.8174.7000112.2L187 I190 E191 W278 V314 N320 R321 L322L187-L318 HydrophobicContact CB-CD2 4.13Å; L187-L318 HydrophobicContact CD2-CD1 4.1Å; L187-L318 HydrophobicContact CD2-CG 4.47Å; L187-L318 WeakPolarHBondContact O-CD2 3.49Å; I190-L318 HydrophobicContact CG2-CD1 3.92Å; I190-L318 HydrophobicContact CG2-CD2 4.43Å; E191-L318 HydrophobicContact CB-CD2 4.38Å; W278-L318 HydrophobicContact CD2-CD1 4.34Å; W278-L318 HydrophobicContact CE3-CB 4.44Å; W278-L318 HydrophobicContact CE3-CD1 3.74Å; W278-L318 HydrophobicContact CH2-CB 3.87Å; W278-L318 HydrophobicContact CH2-CD1 4.21Å; W278-L318 HydrophobicContact CZ3-CB 3.56Å; W278-L318 HydrophobicContact CZ3-CD1 3.67Å; W278-L318 HydrophobicContact CZ3-CG 4.29Å; V314-L318 HydrophobicContact CG1-CD1 3.95Å; V314-L318 HydrophobicContact CG1-CG 4.34Å; V314-L318 PolarHBondContact O-N 3.4Å; L318-N320 VanDerWaalsContact C-N 3.33Å; L318-N320 PolarHBondContact O-N 3.36Å; L318-R321 PolarHBondContact O-N 2.91Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 3.29Å
319V93.3Very high91.7Very high7 Ų755.6 Ų55.64%0.04227%0.265CS..Hα-helixtrans-59.6-44.7178.9165.30000111.4F272 V274 W278 R315 A316 L322 W323F272-V319 HydrophobicContact CB-CG1 3.55Å; F272-V319 HydrophobicContact CB-CG2 4.08Å; F272-V319 HydrophobicContact CD1-CG1 3.75Å; F272-V319 HydrophobicContact CD2-CG1 3.19Å; F272-V319 HydrophobicContact CE1-CG1 4.19Å; F272-V319 HydrophobicContact CE2-CG1 3.68Å; F272-V319 HydrophobicContact CG-CG1 3.2Å; F272-V319 HydrophobicContact CZ-CG1 4.15Å; V274-V319 HydrophobicContact CG1-CG2 3.43Å; V274-V319 VanDerWaalsContact CG1-CG2 3.43Å; W278-V319 HydrophobicContact CZ3-CG2 4.24Å; R315-V319 WeakPolarHBondContact O-CB 3.3Å; R315-V319 VanDerWaalsContact O-CG2 3.26Å; R315-V319 WeakPolarHBondContact O-CG2 3.39Å; R315-V319 PolarHBondContact O-N 3.2Å; R315-V319 VanDerWaalsContact O-N 3.12Å; A316-V319 PolarHBondContact O-N 3.13Å; V319-L322 PolarHBondContact O-N 2.9Å; V319-W323 WeakPolarHBondContact O-CB 3.48Å; V319-W323 PolarHBondContact O-N 3.34Å
320N89.3Confident91.9Very high86 Ų8655.7 Ų55.746%0.4627%0.266SS..Hα-helixtrans-64.5-40.9179.4-74.1-21.6000111.7A316 R317 L318 W323 N324A316-N320 VanDerWaalsContact O-CB 3.27Å; A316-N320 WeakPolarHBondContact O-CB 3.5Å; A316-N320 PolarHBondContact O-N 3.14Å; A316-N320 PolarHBondContact O-ND2 3.13Å; R317-N320 PolarHBondContact O-N 3.43Å; L318-N320 VanDerWaalsContact C-N 3.33Å; L318-N320 PolarHBondContact O-N 3.36Å; N320-W323 PolarHBondContact O-N 3.08Å; N320-N324 VanDerWaalsContact O-CB 3.24Å; N320-N324 WeakPolarHBondContact O-CB 3.43Å; N320-N324 PolarHBondContact O-N 3.11Å; N320-N324 PolarHBondContact O-ND2 2.62Å
321R90Very high91.8Very high49 Ų4962.1 Ų62.119%0.18529%0.29CS..Hα-helixtrans-60.7-48.5176.3-75.1174.965.1116.3-0.8111.5D113 E191 R317 L318 W323 N324 K325D113-R321 IonicContact OD2-CZ 3.79Å; D113-R321 IonicContact OD2-NH1 3.82Å; D113-R321 PolarHBondContact OD2-NH1 3.31Å; E191-R321 IonicContact OE1-NE 3.92Å; E191-R321 IonicContact OE1-NH2 3.19Å; E191-R321 IonicContact OE2-CZ 2.8Å; E191-R321 VanDerWaalsContact OE2-CZ 3.23Å; E191-R321 IonicContact OE2-NE 3.36Å; E191-R321 PolarHBondContact OE2-NE 3.29Å; E191-R321 IonicContact OE2-NH2 3.31Å; E191-R321 PolarHBondContact OE2-NH2 3.12Å; R317-R321 WeakPolarHBondContact O-CG 3.3Å; R317-R321 PolarHBondContact O-N 2.96Å; L318-R321 PolarHBondContact O-N 2.91Å; R321-W323 PolarHBondContact O-N 3.07Å; R321-N324 PolarHBondContact O-N 2.92Å; R321-K325 PolarHBondContact O-N 3.43Å
322L93.6Very high91.7Very high6 Ų663 Ų633%0.03129%0.289CS..Hα-helixtrans-59.9-45.1175.8-68.4175.3000112.3E191 P195 V198 I248 W278 L318 V319 K325 A326E191-L322 HydrophobicContact CG-CD2 3.78Å; E191-L322 HydrophobicContact CG-CG 4.34Å; E191-L322 WeakPolarHBondContact O-CD2 3.12Å; P195-L322 HydrophobicContact CB-CD2 4.27Å; P195-L322 HydrophobicContact CG-CD2 3.87Å; V198-L322 HydrophobicContact CB-CD1 4.26Å; V198-L322 HydrophobicContact CG2-CD1 3.63Å; I248-L322 HydrophobicContact CD1-CB 3.96Å; W278-L322 HydrophobicContact CH2-CD1 3.93Å; W278-L322 HydrophobicContact CZ2-CD1 4.26Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 3.29Å; V319-L322 PolarHBondContact O-N 2.9Å; L322-K325 PolarHBondContact O-N 2.98Å; L322-A326 PolarHBondContact O-N 2.96Å
323W94.8Very high92Very high9 Ų960 Ų603%0.03428%0.278CS..Hα-helixtrans-66.2-37.8178.1-175.5-98.1000112.9V200 L251 V256 I259 N260 K270 F272 V319 N320 R321 A326 S327V200-W323 HydrophobicContact CB-CZ3 4.28Å; V200-W323 HydrophobicContact CG1-CZ3 4.31Å; V200-W323 HydrophobicContact CG2-CZ3 4.13Å; L251-W323 HydrophobicContact CD1-CH2 4.26Å; L251-W323 HydrophobicContact CD1-CZ3 3.64Å; V256-W323 HydrophobicContact CG1-CH2 4.25Å; V256-W323 HydrophobicContact CG1-CZ2 4.09Å; I259-W323 HydrophobicContact CB-CH2 4.33Å; I259-W323 HydrophobicContact CD1-CH2 4.36Å; I259-W323 HydrophobicContact CG2-CH2 3.93Å; I259-W323 HydrophobicContact CG2-CZ2 4.07Å; N260-W323 VanDerWaalsContact OD1-CZ2 3.24Å; N260-W323 WeakPolarHBondContact OD1-CZ2 3.3Å; N260-W323 PolarHBondContact OD1-NE1 3.37Å; K270-W323 HydrophobicContact CD-CZ2 4.18Å; K270-W323 VanDerWaalsContact NZ-CE2 3.35Å; F272-W323 HydrophobicContact CE1-CB 4.4Å; F272-W323 HydrophobicContact CE1-CD2 4.13Å; F272-W323 AromaticContact CE1-CE3 3.58Å; F272-W323 HydrophobicContact CE1-CE3 3.58Å; F272-W323 HydrophobicContact CE1-CG 4.48Å; F272-W323 HydrophobicContact CE1-CZ3 4.2Å; F272-W323 HydrophobicContact CZ-CB 3.99Å; F272-W323 AromaticContact CZ-CD2 3.69Å; F272-W323 HydrophobicContact CZ-CD2 3.69Å; F272-W323 AromaticContact CZ-CE3 3.61Å; F272-W323 HydrophobicContact CZ-CE3 3.61Å; F272-W323 AromaticContact CZ-CG 3.85Å; F272-W323 HydrophobicContact CZ-CG 3.85Å; F272-W323 HydrophobicContact CZ-CZ3 4.34Å; V319-W323 WeakPolarHBondContact O-CB 3.48Å; V319-W323 PolarHBondContact O-N 3.34Å; N320-W323 PolarHBondContact O-N 3.08Å; R321-W323 PolarHBondContact O-N 3.07Å; W323-A326 PolarHBondContact O-N 3.21Å; W323-S327 PolarHBondContact NE1-OG 2.84Å; W323-S327 VanDerWaalsContact O-CB 3.32Å; W323-S327 WeakPolarHBondContact O-CB 3.26Å; W323-S327 PolarHBondContact O-N 3.32Å; W323-S327 PolarHBondContact O-OG 2.91Å
324N90.6Very high92.4Very high83 Ų8358.3 Ų58.344%0.44427%0.27SS..Hα-helixtrans-67.5-40.3177.8-74.6-13.6000111.2N320 R321 S327 K328N320-N324 VanDerWaalsContact O-CB 3.24Å; N320-N324 WeakPolarHBondContact O-CB 3.43Å; N320-N324 PolarHBondContact O-N 3.11Å; N320-N324 PolarHBondContact O-ND2 2.62Å; R321-N324 PolarHBondContact O-N 2.92Å; N324-S327 CarbonylContact O-C 3.59Å; N324-S327 PolarHBondContact O-N 2.99Å; N324-K328 WeakPolarHBondContact O-CB 3.38Å; N324-K328 PolarHBondContact O-N 3.09Å
325K91.5Very high92.3Very high115 Ų11562.5 Ų62.550%0.530%0.296SS..Hα-helixtrans-59-48.9171.7-78179.6169.5175.20111.6E191 R321 L322 S327 K328 R329E191-K325 WeakPolarHBondContact OE1-CD 3.43Å; E191-K325 WeakPolarHBondContact OE1-CE 3.44Å; E191-K325 IonicContact OE1-NZ 3.73Å; E191-K325 PolarHBondContact OE1-NZ 3.33Å; R321-K325 PolarHBondContact O-N 3.43Å; L322-K325 PolarHBondContact O-N 2.98Å; K325-S327 VanDerWaalsContact C-N 3.29Å; K325-S327 PolarHBondContact O-N 3.46Å; K325-K328 PolarHBondContact O-N 3.34Å; K325-R329 PolarHBondContact O-N 3.3Å
326A94.3Very high92.1Very high14 Ų1462 Ų6212%0.11630%0.301CS..Hα-helixtrans-59.9-40.117500000112.1I248 L322 W323 A330I248-A326 HydrophobicContact CG2-CB 3.89Å; L322-A326 PolarHBondContact O-N 2.96Å; W323-A326 PolarHBondContact O-N 3.21Å; A326-A330 VanDerWaalsContact O-CB 3.31Å; A326-A330 WeakPolarHBondContact O-CB 3.29Å; A326-A330 PolarHBondContact O-N 3.31Å
327S95.1Very high92.3Very high9 Ų962.5 Ų62.56%0.06330%0.3CS..Hα-helixtrans-72.2-32.6178.2-61.50000113.6N260 W323 N324 K325 R331N260-S327 PolarHBondContact ND2-OG 2.9Å; N260-S327 VanDerWaalsContact ND2-OG 3.1Å; W323-S327 PolarHBondContact NE1-OG 2.84Å; W323-S327 VanDerWaalsContact O-CB 3.32Å; W323-S327 WeakPolarHBondContact O-CB 3.26Å; W323-S327 PolarHBondContact O-N 3.32Å; W323-S327 PolarHBondContact O-OG 2.91Å; N324-S327 CarbonylContact O-C 3.59Å; N324-S327 PolarHBondContact O-N 2.99Å; K325-S327 VanDerWaalsContact C-N 3.29Å; K325-S327 PolarHBondContact O-N 3.46Å; S327-R331 WeakPolarHBondContact O-CB 3.49Å; S327-R331 WeakPolarHBondContact O-CG 3.47Å; S327-R331 PolarHBondContact O-N 3.4Å; S327-R331 VanDerWaalsContact O-N 3.14Å; S327-R331 PolarHBondContact O-NE 3.11Å
328K90.4Very high92.5Very high89 Ų8966.6 Ų66.639%0.38732%0.32SS..Hα-helixtrans-65.3-51171.9-172175.5-179.21780108.7E73 N324 K325 A330 R331 M332E73-K328 IonicContact OE1-NZ 2.98Å; E73-K328 PolarHBondContact OE1-NZ 3.25Å; E73-K328 IonicContact OE2-NZ 3.51Å; N324-K328 WeakPolarHBondContact O-CB 3.38Å; N324-K328 PolarHBondContact O-N 3.09Å; K325-K328 PolarHBondContact O-N 3.34Å; K328-A330 VanDerWaalsContact C-N 3.34Å; K328-A330 PolarHBondContact O-N 2.98Å; K328-R331 PolarHBondContact O-N 2.88Å; K328-M332 WeakPolarHBondContact O-CG 3.29Å; K328-M332 PolarHBondContact O-N 2.99Å
329R93.1Very high92.5Very high176 Ų17668.9 Ų68.966%0.66434%0.339SS*.Hα-helixtrans-56.2-45.5176.4-173.5-175.4-64.4165.3-1.8112.6K325 R331 M332 H333K325-R329 PolarHBondContact O-N 3.3Å; R329-R331 VanDerWaalsContact C-N 3.35Å; R329-R331 PolarHBondContact O-N 3.39Å; R329-M332 PolarHBondContact O-N 2.86Å; R329-H333 WeakPolarHBondContact O-CB 3.28Å; R329-H333 PolarHBondContact O-N 3.4Å
330A96.1Very high92.4Very high2 Ų272.8 Ų72.82%0.01736%0.363CS..Hα-helixtrans-64.3-38.7-179.600000113.1P253 V256 M257 A326 K328 A334P253-A330 HydrophobicContact CB-CB 4.22Å; P253-A330 WeakPolarHBondContact O-CB 3.27Å; V256-A330 HydrophobicContact CB-CB 3.72Å; V256-A330 HydrophobicContact CG1-CB 3.84Å; V256-A330 HydrophobicContact CG2-CB 4.37Å; M257-A330 HydrophobicContact CG-CB 4.22Å; M257-A330 HydrophobicContact SD-CB 4.41Å; A326-A330 VanDerWaalsContact O-CB 3.31Å; A326-A330 WeakPolarHBondContact O-CB 3.29Å; A326-A330 PolarHBondContact O-N 3.31Å; K328-A330 VanDerWaalsContact C-N 3.34Å; K328-A330 PolarHBondContact O-N 2.98Å; A330-A334 WeakPolarHBondContact O-CB 3.23Å; A330-A334 PolarHBondContact O-N 3.39Å; A330-A334 VanDerWaalsContact O-N 3.09Å
331R93.6Very high92.7Very high145 Ų14573.5 Ų73.555%0.54737%0.367SS..Hα-helixtrans-68.1-45.2175.7-76.1-178.5-68.1150-3.3111.9M257 S327 K328 R329 H333 A334 V335M257-R331 HydrophobicContact SD-CG 3.83Å; S327-R331 WeakPolarHBondContact O-CB 3.49Å; S327-R331 WeakPolarHBondContact O-CG 3.47Å; S327-R331 PolarHBondContact O-N 3.4Å; S327-R331 VanDerWaalsContact O-N 3.14Å; S327-R331 PolarHBondContact O-NE 3.11Å; K328-R331 PolarHBondContact O-N 2.88Å; R329-R331 VanDerWaalsContact C-N 3.35Å; R329-R331 PolarHBondContact O-N 3.39Å; R331-H333 PolarHBondContact O-N 3.43Å; R331-A334 PolarHBondContact O-N 3.47Å; R331-A334 VanDerWaalsContact O-N 3.17Å; R331-V335 WeakPolarHBondContact O-CG2 3.41Å; R331-V335 PolarHBondContact O-N 2.74Å
332M90.1Very high92.9Very high103 Ų10375.9 Ų75.951%0.50738%0.383SS..Hα-helixtrans-55.9-53176.2-70-61.2-59.600110.5K328 R329 A334 V335 D336K328-M332 WeakPolarHBondContact O-CG 3.29Å; K328-M332 PolarHBondContact O-N 2.99Å; R329-M332 PolarHBondContact O-N 2.86Å; M332-A334 VanDerWaalsContact C-N 3.27Å; M332-A334 PolarHBondContact O-N 2.72Å; M332-V335 WeakPolarHBondContact O-CB 3.03Å; M332-V335 PolarHBondContact O-N 3Å; M332-D336 PolarHBondContact O-N 3.37Å
333H94.1Very high92.9Very high96 Ų9680.9 Ų80.944%0.44441%0.406SS..Hα-helixtrans-58.1-37.9177.6-177.1-61.2000112.9P253 R329 R331 C337P253-H333 HydrophobicContact CB-CB 4.02Å; P253-H333 HydrophobicContact CG-CB 4.04Å; R329-H333 WeakPolarHBondContact O-CB 3.28Å; R329-H333 PolarHBondContact O-N 3.4Å; R331-H333 PolarHBondContact O-N 3.43Å; H333-C337 PolarHBondContact CE1-SG 3Å; H333-C337 PolarHBondContact ND1-SG 3.31Å; H333-C337 PolarHBondContact O-N 3.27Å; H333-C337 VanDerWaalsContact O-N 3.08Å; H333-C337 PolarHBondContact O-SG 3.31Å
334A94.2Very high93Very high29 Ų2984.3 Ų84.324%0.2443%0.432CS..Hα-helixtrans-66-43.1176.800000111.5A330 R331 M332 D336 C337 F338A330-A334 WeakPolarHBondContact O-CB 3.23Å; A330-A334 PolarHBondContact O-N 3.39Å; A330-A334 VanDerWaalsContact O-N 3.09Å; R331-A334 PolarHBondContact O-N 3.47Å; R331-A334 VanDerWaalsContact O-N 3.17Å; M332-A334 VanDerWaalsContact C-N 3.27Å; M332-A334 PolarHBondContact O-N 2.72Å; A334-D336 VanDerWaalsContact C-N 3.34Å; A334-C337 PolarHBondContact O-N 2.97Å; A334-F338 HydrophobicContact CB-CE2 4.38Å; A334-F338 WeakPolarHBondContact O-CD2 3.43Å; A334-F338 WeakPolarHBondContact O-CG 3.27Å; A334-F338 PolarHBondContact O-N 2.62Å
335V90.5Very high93.2Very high89 Ų8986.5 Ų86.554%0.53944%0.443SS..Hα-helixtrans-61.1-44.5175.7170.90000110.6R331 M332 C337 F338 A339R331-V335 WeakPolarHBondContact O-CG2 3.41Å; R331-V335 PolarHBondContact O-N 2.74Å; M332-V335 WeakPolarHBondContact O-CB 3.03Å; M332-V335 PolarHBondContact O-N 3Å; V335-C337 PolarHBondContact O-N 2.92Å; V335-F338 PolarHBondContact O-N 3.38Å; V335-F338 VanDerWaalsContact O-N 3.14Å; V335-A339 WeakPolarHBondContact O-CB 3.48Å; V335-A339 PolarHBondContact O-N 3.25Å
336D90.1Very high93.5Very high86 Ų8687.3 Ų87.346%0.4645%0.452SS..Hα-helixtrans-60.7-46.8179.2-60.6-25.8000111M332 A334 F338 A339 T340M332-D336 PolarHBondContact O-N 3.37Å; A334-D336 VanDerWaalsContact C-N 3.34Å; D336-F338 VanDerWaalsContact C-N 3.31Å; D336-F338 PolarHBondContact O-N 3.23Å; D336-A339 PolarHBondContact O-N 3.34Å; D336-T340 PolarHBondContact O-N 2.88Å; D336-T340 PolarHBondContact O-OG1 3.49Å; D336-T340 VanDerWaalsContact O-OG1 3.09Å
337C92.8Very high93.5Very high57 Ų5792.9 Ų92.939%0.38548%0.479SS..Hα-helixtrans-59-41.4174.9-67.30000112.5H333 A334 V335 N341H333-C337 PolarHBondContact CE1-SG 3Å; H333-C337 PolarHBondContact ND1-SG 3.31Å; H333-C337 PolarHBondContact O-N 3.27Å; H333-C337 VanDerWaalsContact O-N 3.08Å; H333-C337 PolarHBondContact O-SG 3.31Å; A334-C337 PolarHBondContact O-N 2.97Å; V335-C337 PolarHBondContact O-N 2.92Å; C337-N341 WeakPolarHBondContact O-CB 3.49Å; C337-N341 PolarHBondContact O-N 3.18Å; C337-N341 VanDerWaalsContact O-N 3.08Å; C337-N341 PolarHBondContact O-ND2 3.17Å; C337-N341 PolarHBondContact O-OD1 3.25Å
338F93.2Very high93.6Very high145 Ų14596.8 Ų96.864%0.63650%0.503SS*.Hα-helixtrans-67.7-39.4176.9-70.9-52.2000112.2A334 V335 D336 N341 L342A334-F338 HydrophobicContact CB-CE2 4.38Å; A334-F338 WeakPolarHBondContact O-CD2 3.43Å; A334-F338 WeakPolarHBondContact O-CG 3.27Å; A334-F338 PolarHBondContact O-N 2.62Å; V335-F338 PolarHBondContact O-N 3.38Å; V335-F338 VanDerWaalsContact O-N 3.14Å; D336-F338 VanDerWaalsContact C-N 3.31Å; D336-F338 PolarHBondContact O-N 3.23Å; F338-N341 PolarHBondContact O-N 2.81Å; F338-L342 VanDerWaalsContact O-CB 3.28Å; F338-L342 WeakPolarHBondContact O-CB 3.49Å; F338-L342 PolarHBondContact O-N 3.44Å
339A91.3Very high93.9Very high51 Ų5196.6 Ų96.642%0.42152%0.518SS..Hα-helixtrans-62.8-47.8177.900000110.7V335 D336 N341 L342 E343V335-A339 WeakPolarHBondContact O-CB 3.48Å; V335-A339 PolarHBondContact O-N 3.25Å; D336-A339 PolarHBondContact O-N 3.34Å; A339-N341 PolarHBondContact O-N 2.91Å; A339-L342 PolarHBondContact O-N 3.23Å; A339-E343 WeakPolarHBondContact O-CB 3.35Å; A339-E343 PolarHBondContact O-N 3.45Å
340T91.8Very high93.9Very high89 Ų8992.7 Ų92.755%0.54652%0.515SS..Hα-helixtrans-60.8-44.4177-55.80000111.9D336 L342 E343 S344D336-T340 PolarHBondContact O-N 2.88Å; D336-T340 PolarHBondContact O-OG1 3.49Å; D336-T340 VanDerWaalsContact O-OG1 3.09Å; T340-L342 PolarHBondContact O-N 3.14Å; T340-E343 PolarHBondContact O-N 2.96Å; T340-S344 PolarHBondContact O-N 3.44Å; T340-S344 VanDerWaalsContact O-N 3.07Å
341N94.8Very high93.7Very high101 Ų10197.7 Ų97.754%0.5455%0.545SS..Hα-helixtrans-64-42.4178.2-70.8-8.6000111.6C337 F338 A339 S344 L345C337-N341 WeakPolarHBondContact O-CB 3.49Å; C337-N341 PolarHBondContact O-N 3.18Å; C337-N341 VanDerWaalsContact O-N 3.08Å; C337-N341 PolarHBondContact O-ND2 3.17Å; C337-N341 PolarHBondContact O-OD1 3.25Å; F338-N341 PolarHBondContact O-N 2.81Å; A339-N341 PolarHBondContact O-N 2.91Å; N341-S344 PolarHBondContact O-N 3.45Å; N341-L345 WeakPolarHBondContact O-CG 3.33Å; N341-L345 PolarHBondContact O-N 3.31Å
342L95.8Very high93.6Very high99 Ų9998.5 Ų98.552%0.51855%0.553SS.*Hα-helixtrans-67-42.2178.6-179.960.8000111.7F338 A339 T340 S344 L345 L346F338-L342 VanDerWaalsContact O-CB 3.28Å; F338-L342 WeakPolarHBondContact O-CB 3.49Å; F338-L342 PolarHBondContact O-N 3.44Å; A339-L342 PolarHBondContact O-N 3.23Å; T340-L342 PolarHBondContact O-N 3.14Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 2.97Å; L342-L345 PolarHBondContact O-N 3.47Å; L342-L346 HydrophobicContact CD1-CD1 4.19Å; L342-L346 HydrophobicContact CD1-CG 4.15Å; L342-L346 HydrophobicContact CG-CD1 3.96Å; L342-L346 HydrophobicContact CG-CG 4.34Å; L342-L346 WeakPolarHBondContact O-CG 3.28Å; L342-L346 PolarHBondContact O-N 3.24Å
343E93.4Very high93.9Very high111 Ų11196.5 Ų96.552%0.51956%0.558SS.*Hα-helixtrans-58.2-45.8176.3-179.8172.2-162.200111.2A339 T340 L345 L346 L347A339-E343 WeakPolarHBondContact O-CB 3.35Å; A339-E343 PolarHBondContact O-N 3.45Å; T340-E343 PolarHBondContact O-N 2.96Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 3.32Å; E343-L346 PolarHBondContact O-N 2.81Å; E343-L347 HydrophobicContact CG-CD1 3.79Å; E343-L347 HydrophobicContact CG-CG 4.4Å; E343-L347 WeakPolarHBondContact O-CB 3.29Å; E343-L347 WeakPolarHBondContact O-CG 3.45Å; E343-L347 PolarHBondContact O-N 2.97Å
344S95.1Very high93.9Very high82 Ų8297.7 Ų97.757%0.57356%0.564SS**Hα-helixtrans-60.3-39176.4-177.30000112.7T340 N341 L342 T348T340-S344 PolarHBondContact O-N 3.44Å; T340-S344 VanDerWaalsContact O-N 3.07Å; N341-S344 PolarHBondContact O-N 3.45Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 2.97Å; S344-T348 PolarHBondContact O-N 3.41Å; S344-T348 PolarHBondContact O-OG1 3.31Å
345L96.3Very high94Very high128 Ų12899.6 Ų99.667%0.6757%0.574SS**Hα-helixtrans-68.1-42.4176.5-69.4171.8000111.9N341 L342 E343 L347 T348N341-L345 WeakPolarHBondContact O-CG 3.33Å; N341-L345 PolarHBondContact O-N 3.31Å; L342-L345 PolarHBondContact O-N 3.47Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 3.32Å; L345-L347 VanDerWaalsContact C-N 3.34Å; L345-L347 PolarHBondContact O-N 3.49Å; L345-T348 WeakPolarHBondContact O-CB 3.37Å; L345-T348 PolarHBondContact O-N 3.48Å; L345-T348 PolarHBondContact O-OG1 3.23Å
346L96.7Very high94.3Very high133 Ų13398.4 Ų98.470%0.69656%0.564SS**Hα-helixtrans-70.6-28.7-179-69.4175.5000113.3L342 E343 T348L342-L346 HydrophobicContact CD1-CD1 4.19Å; L342-L346 HydrophobicContact CD1-CG 4.15Å; L342-L346 HydrophobicContact CG-CD1 3.96Å; L342-L346 HydrophobicContact CG-CG 4.34Å; L342-L346 WeakPolarHBondContact O-CG 3.28Å; L342-L346 PolarHBondContact O-N 3.24Å; E343-L346 PolarHBondContact O-N 2.81Å; L346-T348 VanDerWaalsContact C-N 3.33Å
347L96Very high94.6Very high131 Ų13199.5 Ų99.569%0.68657%0.569SS**THydrogen-bonded Turntrans-89.53177.4-64.8178.7000113.4E343 L345 A349E343-L347 HydrophobicContact CG-CD1 3.79Å; E343-L347 HydrophobicContact CG-CG 4.4Å; E343-L347 WeakPolarHBondContact O-CB 3.29Å; E343-L347 WeakPolarHBondContact O-CG 3.45Å; E343-L347 PolarHBondContact O-N 2.97Å; L345-L347 VanDerWaalsContact C-N 3.34Å; L345-L347 PolarHBondContact O-N 3.49Å; L347-A349 PolarHBondContact O-N 3.32Å
348T96.3Very high94.7Very high91 Ų9198.6 Ų98.656%0.55857%0.57SS**SBendtrans-61.4130.8174.9-63.70000109.7S344 L345 L346S344-T348 PolarHBondContact O-N 3.41Å; S344-T348 PolarHBondContact O-OG1 3.31Å; L345-T348 WeakPolarHBondContact O-CB 3.37Å; L345-T348 PolarHBondContact O-N 3.48Å; L345-T348 PolarHBondContact O-OG1 3.23Å; L346-T348 VanDerWaalsContact C-N 3.33Å
349A96.5Very high94.8Very high85 Ų8596.1 Ų96.170%0.70257%0.566SS**PPolyproline II helixtrans-59.7129.5-177.600000110.8L347L347-A349 PolarHBondContact O-N 3.32Å
350P93.7Very high95Very high94 Ų9498.5 Ų98.561%0.6157%0.572SS**PPolyproline II helixtrans-74.4139.3-178.929.3-35.3000111.6K352P350-K352 HydrophobicContact CB-CG 4.41Å; P350-K352 HydrophobicContact CG-CG 4.38Å; P350-K352 PolarHBondContact O-N 3.33Å
351V91.9Very high95.2Very high107 Ų10799.1 Ų99.165%0.64858%0.577SS**  trans-81.8111.5168.5-178.90000108.6H354V351-H354 HydrophobicContact CG1-CB 4.35Å
352K91.9Very high95Very high162 Ų16295.6 Ų95.670%0.70456%0.564SS**  trans-107.5149.1-174.7-59.2-175.6-174-179.10111.7P350 H354P350-K352 HydrophobicContact CB-CG 4.41Å; P350-K352 HydrophobicContact CG-CG 4.38Å; P350-K352 PolarHBondContact O-N 3.33Å; K352-H354 VanDerWaalsContact C-N 3.31Å; K352-H354 PolarHBondContact O-CE1 3.31Å; K352-H354 PolarHBondContact O-N 3.5Å; K352-H354 PolarHBondContact O-ND1 3.17Å
353G94.4Very high94.7Very high60 Ų60100.8 Ų100.862%0.61958%0.583SS**SBendtrans74.713.5168.200000115.8
354H95.8Very high94.5Very high122 Ų122102.4 Ų102.457%0.56560%0.601SS**SBendtrans-118.3145.9-179-66.177.1000110.8V351 K352 A374V351-H354 HydrophobicContact CG1-CB 4.35Å; K352-H354 VanDerWaalsContact C-N 3.31Å; K352-H354 PolarHBondContact O-CE1 3.31Å; K352-H354 PolarHBondContact O-N 3.5Å; K352-H354 PolarHBondContact O-ND1 3.17Å; H354-A374 WeakPolarHBondContact O-CA 3.46Å
355C95.8Very high94.1Very high69 Ų69104.9 Ų104.947%0.46661%0.607SS.*  trans-71.3130.7165.2-163.20000108.8M371 I372C355-M371 WeakPolarHBondContact SG-CE 3.48Å; C355-I372 CarbonylContact C-O 3.59Å; C355-I372 VanDerWaalsContact CA-O 3.32Å; C355-I372 WeakPolarHBondContact CA-O 3.42Å; C355-I372 PolarHBondContact SG-O 3.35Å
356I95.9Very high93.8Very high63 Ų63100.3 Ų100.332%0.32359%0.591SS.*EExtended strand (participates in β ladder)trans-122.2136.3-174.2-60.7171.6000109.6M371 I372I356-M371 CarbonylContact O-C 3.57Å; I356-M371 WeakPolarHBondContact O-CA 3.45Å; I356-I372 HydrophobicContact CB-CD1 4.05Å; I356-I372 HydrophobicContact CB-CG1 3.74Å; I356-I372 HydrophobicContact CD1-CD1 4.35Å; I356-I372 PolarHBondContact N-O 3.46Å; I356-I372 PolarHBondContact O-N 2.82Å
357I96.2Very high93.6Very high109 Ų10997.5 Ų97.556%0.55958%0.582SS**EExtended strand (participates in β ladder)trans-103.9116.4165.1-62.2174.7000107.9V359 A370 M371I357-V359 HydrophobicContact CG2-CG2 4.17Å; I357-A370 CarbonylContact C-O 3.59Å; I357-A370 WeakPolarHBondContact CA-O 3.39Å; I357-M371 HydrophobicContact CG1-CB 4.13Å; I357-M371 HydrophobicContact CG1-CG 3.9Å; I357-M371 HydrophobicContact CG1-SD 4.41Å
358G95.5Very high93.6Very high39 Ų3993 Ų9340%0.40256%0.557SS.*EExtended strand (participates in β ladder)trans-90.8129.1170.700000110.2Y369 A370G358-Y369 CarbonylContact O-C 3.57Å; G358-Y369 VanDerWaalsContact O-CA 3.22Å; G358-Y369 WeakPolarHBondContact O-CA 3.27Å; G358-A370 PolarHBondContact N-O 2.92Å; G358-A370 PolarHBondContact O-N 3.07Å
359V96.4Very high93.5Very high92 Ų9293.3 Ų93.356%0.55855%0.549SS*.EExtended strand (participates in β ladder)trans-115.9120.2176.7-177.10000108.5I357 P361 C367 K368I357-V359 HydrophobicContact CG2-CG2 4.17Å; V359-P361 WeakPolarHBondContact O-CD 3.37Å; V359-C367 HydrophobicContact CG1-CB 4.38Å; V359-K368 WeakPolarHBondContact CA-O 3.49Å
360D95.2Very high93.5Very high102 Ų10290.6 Ų90.655%0.54553%0.526SS..EExtended strand (participates in β ladder)trans-98.4102.9170.6177.330.6000108.6C367 K368D360-C367 WeakPolarHBondContact O-CA 3.24Å; D360-K368 HydrophobicContact CB-CB 4.2Å; D360-K368 PolarHBondContact N-O 2.92Å; D360-K368 PolarHBondContact O-N 2.98Å
361P94.9Very high93.7Very high102 Ų10289.4 Ų89.466%0.66251%0.513SS*.  trans-69.4133.5-171.827.6-33.6000111.6V359V359-P361 WeakPolarHBondContact O-CD 3.37Å
362G91Very high93.9Very high26 Ų2687 Ų8727%0.26850%0.496SS..  trans-144.4151.2176.600000112G366G362-G366 WeakPolarHBondContact CA-O 3.43Å; G362-G366 CarbonylContact O-C 3.53Å
363F88.8Confident94.1Very high209 Ų20980 Ų8092%0.91747%0.468SS*.SBendtrans-95-79.9176.9-63.5-80000110.9N365 G366F363-N365 VanDerWaalsContact C-N 3.33Å; F363-N365 PolarHBondContact O-N 3.42Å; F363-G366 PolarHBondContact O-N 3.06Å
364V89.7Confident94.1Very high145 Ų14579.2 Ų79.288%0.87946%0.455SS*.THydrogen-bonded Turntrans-62-39.2-173.2-178.80000112.5
365N87.5Confident94.1Very high133 Ų13380.9 Ų80.971%0.71146%0.463SS*.THydrogen-bonded Turntrans-9614.2-176.9-61.7-14.6000112.8F363 K368F363-N365 VanDerWaalsContact C-N 3.33Å; F363-N365 PolarHBondContact O-N 3.42Å; N365-K368 PolarHBondContact O-NZ 3.39Å
366G89.5Confident93.9Very high33 Ų3379.9 Ų79.934%0.3446%0.464SS..  trans64.9172-172.800000114.8G362 F363 K368G362-G366 WeakPolarHBondContact CA-O 3.43Å; G362-G366 CarbonylContact O-C 3.53Å; F363-G366 PolarHBondContact O-N 3.06Å; G366-K368 PolarHBondContact O-NZ 3.46Å
367C93.8Very high93.9Very high73 Ų7383.1 Ų83.149%0.49348%0.479SS..  trans-83.3135.1173.7-63.20000110.6V359 D360V359-C367 HydrophobicContact CG1-CB 4.38Å; D360-C367 WeakPolarHBondContact O-CA 3.24Å
368K94.5Very high93.9Very high38 Ų3884.1 Ų84.117%0.16548%0.482CS..EExtended strand (participates in β ladder)trans-92145.4170.7-63.787.7-164.3150.10108.8V359 D360 N365 G366 R382 F383V359-K368 WeakPolarHBondContact CA-O 3.49Å; D360-K368 HydrophobicContact CB-CB 4.2Å; D360-K368 PolarHBondContact N-O 2.92Å; D360-K368 PolarHBondContact O-N 2.98Å; N365-K368 PolarHBondContact O-NZ 3.39Å; G366-K368 PolarHBondContact O-NZ 3.46Å; K368-R382 WeakPolarHBondContact CA-O 3.28Å; K368-F383 HydrophobicContact CB-CD1 4.39Å; K368-F383 WeakPolarHBondContact CE-OXT 3.18Å; K368-F383 HydrophobicContact CG-CB 4.31Å; K368-F383 HydrophobicContact CG-CD1 4.37Å; K368-F383 WeakPolarHBondContact CG-OXT 3.44Å
369Y95.4Very high93.8Very high97 Ų9787.1 Ų87.138%0.3849%0.488SS..EExtended strand (participates in β ladder)trans-142.2143.317558.9-89000111.6G358 A381 R382G358-Y369 CarbonylContact O-C 3.57Å; G358-Y369 VanDerWaalsContact O-CA 3.22Å; G358-Y369 WeakPolarHBondContact O-CA 3.27Å; Y369-A381 CarbonylContact O-C 3.54Å; Y369-A381 WeakPolarHBondContact O-CA 3.3Å; Y369-R382 HydrophobicContact CD1-CB 4.33Å; Y369-R382 HydrophobicContact CD2-CB 4.45Å; Y369-R382 HydrophobicContact CE1-CB 3.81Å; Y369-R382 HydrophobicContact CE1-CG 4.4Å; Y369-R382 HydrophobicContact CE2-CB 3.95Å; Y369-R382 PolarHBondContact N-O 3.1Å; Y369-R382 PolarHBondContact O-N 3.47Å; Y369-R382 WeakPolarHBondContact OH-CD 3.26Å
370A96.3Very high93.7Very high28 Ų2885.7 Ų85.723%0.23148%0.482CS..EExtended strand (participates in β ladder)trans-136.4141.1174.900000109.7I357 G358 S380 A381I357-A370 CarbonylContact C-O 3.59Å; I357-A370 WeakPolarHBondContact CA-O 3.39Å; G358-A370 PolarHBondContact N-O 2.92Å; G358-A370 PolarHBondContact O-N 3.07Å; A370-S380 CarbonylContact C-O 3.57Å; A370-S380 WeakPolarHBondContact CA-O 3.33Å; A370-A381 HydrophobicContact CB-CB 4.01Å
371M97Very high93.4Very high69 Ų6982.2 Ų82.234%0.3447%0.468SS..EExtended strand (participates in β ladder)trans-111.4132.1176.6-174177.4167.500108.8C355 I356 I357 L379 S380C355-M371 WeakPolarHBondContact SG-CE 3.48Å; I356-M371 CarbonylContact O-C 3.57Å; I356-M371 WeakPolarHBondContact O-CA 3.45Å; I357-M371 HydrophobicContact CG1-CB 4.13Å; I357-M371 HydrophobicContact CG1-CG 3.9Å; I357-M371 HydrophobicContact CG1-SD 4.41Å; M371-L379 HydrophobicContact CB-CB 4.42Å; M371-L379 HydrophobicContact CE-CD1 3.82Å; M371-L379 HydrophobicContact CG-CB 4.29Å; M371-L379 HydrophobicContact CG-CD1 4.18Å; M371-L379 PolarHBondContact O-N 2.82Å; M371-L379 HydrophobicContact SD-CD1 4.44Å; M371-S380 PolarHBondContact N-O 3.2Å; M371-S380 PolarHBondContact O-N 3.04Å
372I96.2Very high92.8Very high57 Ų5785.3 Ų85.329%0.29247%0.466SS..EExtended strand (participates in β ladder)trans-120.8145.6176.362.3173.9000110.6C355 I356 M377C355-I372 CarbonylContact C-O 3.59Å; C355-I372 VanDerWaalsContact CA-O 3.32Å; C355-I372 WeakPolarHBondContact CA-O 3.42Å; C355-I372 PolarHBondContact SG-O 3.35Å; I356-I372 HydrophobicContact CB-CD1 4.05Å; I356-I372 HydrophobicContact CB-CG1 3.74Å; I356-I372 HydrophobicContact CD1-CD1 4.35Å; I356-I372 PolarHBondContact N-O 3.46Å; I356-I372 PolarHBondContact O-N 2.82Å; I372-M377 CarbonylContact C-O 3.54Å; I372-M377 VanDerWaalsContact CA-O 3.24Å; I372-M377 WeakPolarHBondContact CA-O 3.49Å
373S96.2Very high92.4Very high15 Ų1593 Ų9311%0.10549%0.492CS..  trans-69.4172.8174.783.40000111.8Q375 G376 M377S373-Q375 PolarHBondContact O-N 3.21Å; S373-Q375 VanDerWaalsContact O-N 3.07Å; S373-Q375 PolarHBondContact OG-N 2.89Å; S373-Q375 VanDerWaalsContact OG-N 3.16Å; S373-Q375 PolarHBondContact OG-OE1 3.2Å; S373-G376 PolarHBondContact O-N 3.27Å; S373-M377 PolarHBondContact N-O 2.89Å; S373-M377 PolarHBondContact OG-N 2.98Å
374A95.6Very high92.6Very high42 Ų4287.2 Ų87.235%0.34747%0.471SS..THydrogen-bonded Turntrans-56.7-21.2173.200000114.4H354H354-A374 WeakPolarHBondContact O-CA 3.46Å
375Q94.7Very high92.8Very high158 Ų15884.2 Ų84.274%0.73845%0.45SS*.THydrogen-bonded Turntrans-95.81.3177.4-5878.215.200113S373S373-Q375 PolarHBondContact O-N 3.21Å; S373-Q375 VanDerWaalsContact O-N 3.07Å; S373-Q375 PolarHBondContact OG-N 2.89Å; S373-Q375 VanDerWaalsContact OG-N 3.16Å; S373-Q375 PolarHBondContact OG-OE1 3.2Å
376G92.8Very high93.1Very high47 Ų4781.4 Ų81.449%0.48544%0.435SS..SBendtrans83.18.7-177.400000114.6S373S373-G376 PolarHBondContact O-N 3.27Å
377M94.7Very high93.3Very high132 Ų13284.3 Ų84.365%0.6544%0.441SS*.  trans-77.6131.6176.4-65-59.5-66.200110.2I372 S373 L379I372-M377 CarbonylContact C-O 3.54Å; I372-M377 VanDerWaalsContact CA-O 3.24Å; I372-M377 WeakPolarHBondContact CA-O 3.49Å; S373-M377 PolarHBondContact N-O 2.89Å; S373-M377 PolarHBondContact OG-N 2.98Å; M377-L379 PolarHBondContact O-N 3.36Å
378Q95.5Very high93.3Very high130 Ų13085 Ų8561%0.60744%0.438SS*.EExtended strand (participates in β ladder)trans-62.6126.7175.9-175.1-175.1-4700110.8
379L94.5Very high93.2Very high101 Ų10188.1 Ų88.153%0.52946%0.456SS..EExtended strand (participates in β ladder)trans-98.7-39.8175.7-64.1176.1000111.8M371 M377M371-L379 HydrophobicContact CB-CB 4.42Å; M371-L379 HydrophobicContact CE-CD1 3.82Å; M371-L379 HydrophobicContact CG-CB 4.29Å; M371-L379 HydrophobicContact CG-CD1 4.18Å; M371-L379 PolarHBondContact O-N 2.82Å; M371-L379 HydrophobicContact SD-CD1 4.44Å; M377-L379 PolarHBondContact O-N 3.36Å
380S93.1Very high93Very high63 Ų6387.5 Ų87.544%0.44146%0.461SS..EExtended strand (participates in β ladder)trans-157.9151.6178.6-176.90000110.2A370 M371A370-S380 CarbonylContact C-O 3.57Å; A370-S380 WeakPolarHBondContact CA-O 3.33Å; M371-S380 PolarHBondContact N-O 3.2Å; M371-S380 PolarHBondContact O-N 3.04Å
381A89.4Confident92.8Very high29 Ų2992.1 Ų92.124%0.2448%0.479CS..EExtended strand (participates in β ladder)trans-149.6143.9172.600000111.3Y369 A370 F383Y369-A381 CarbonylContact O-C 3.54Å; Y369-A381 WeakPolarHBondContact O-CA 3.3Å; A370-A381 HydrophobicContact CB-CB 4.01Å; A381-F383 HydrophobicContact CB-CD2 4.35Å; A381-F383 HydrophobicContact CB-CE2 3.54Å; A381-F383 HydrophobicContact CB-CZ 3.64Å
382R82.2Confident92.4Very high167 Ų16794 Ų9463%0.6349%0.49SS*.EExtended strand (participates in β ladder)trans-135.7119.6171.4-159.4176.7-172.8175.43.6108.9K368 Y369K368-R382 WeakPolarHBondContact CA-O 3.28Å; Y369-R382 HydrophobicContact CD1-CB 4.33Å; Y369-R382 HydrophobicContact CD2-CB 4.45Å; Y369-R382 HydrophobicContact CE1-CB 3.81Å; Y369-R382 HydrophobicContact CE1-CG 4.4Å; Y369-R382 HydrophobicContact CE2-CB 3.95Å; Y369-R382 PolarHBondContact N-O 3.1Å; Y369-R382 PolarHBondContact O-N 3.47Å; Y369-R382 WeakPolarHBondContact OH-CD 3.26Å
383F84.1Confident92.1Very high187 Ų18797.4 Ų97.482%0.8251%0.508SS*.  trans-109.60-173.5-59.4-73.5000112.4K368 A381K368-F383 HydrophobicContact CB-CD1 4.39Å; K368-F383 WeakPolarHBondContact CE-OXT 3.18Å; K368-F383 HydrophobicContact CG-CB 4.31Å; K368-F383 HydrophobicContact CG-CD1 4.37Å; K368-F383 WeakPolarHBondContact CG-OXT 3.44Å; A381-F383 HydrophobicContact CB-CD2 4.35Å; A381-F383 HydrophobicContact CB-CE2 3.54Å; A381-F383 HydrophobicContact CB-CZ 3.64Å

Retrieved 383 of 383 residues in 2962.6 ms (Link to these results)

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