A0A087X4D8_POEFO Loading...

BRO1 domain-containing protein BROX

AlphaFold DB , UniProt , Accession A0A087X4D8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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
1M61.7Low88.9Confident80 Ų8020.7 Ų20.739%0.39411%0.109SC..  0136.70-87.1177.7-98.600107.1H3 A197 I200M1-H3 PolarHBondContact O-CD2 3.48Å; M1-H3 PolarHBondContact O-NE2 3.47Å; M1-A197 HydrophobicContact CB-CB 4.22Å; M1-A197 HydrophobicContact CE-CB 3.75Å; M1-I200 HydrophobicContact CE-CB 4.05Å; M1-I200 HydrophobicContact CE-CD1 3.93Å; M1-I200 HydrophobicContact CE-CG2 4.05Å
2A75.6Confident89.4Confident19 Ų1919.3 Ų19.316%0.15710%0.102CC..  trans-72.4141.8171.200000109.4A130 F308A2-A130 CarbonylContact C-O 3.4Å; A2-A130 WeakPolarHBondContact CA-O 3.37Å; A2-F308 WeakPolarHBondContact O-CB 3.32Å
3H87.8Confident90Very high19 Ų1919.3 Ų19.39%0.08810%0.104CC..  trans-119.9153.4177.3-57.7-97.6000110.3M1 F5 A130 E193M1-H3 PolarHBondContact O-CD2 3.48Å; M1-H3 PolarHBondContact O-NE2 3.47Å; H3-F5 HydrophobicContact CB-CE1 3.8Å; H3-F5 HydrophobicContact CB-CE2 4.12Å; H3-F5 HydrophobicContact CB-CZ 3.56Å; H3-A130 HydrophobicContact CB-CB 4.06Å; H3-A130 PolarHBondContact N-O 3.38Å; H3-A130 CarbonylContact O-C 3.55Å; H3-E193 PolarHBondContact CE1-O 3.04Å; H3-E193 IonicContact ND1-OE2 2.72Å; H3-E193 PolarHBondContact ND1-OE2 2.68Å
4W91.8Very high90.3Very high18 Ų1819.1 Ų19.17%0.06811%0.106CC..  trans-119.6129.2171.6169.770.2000110.8H6 Y241 L244 K245 Y291 A301 P303 F308W4-H6 HydrophobicContact CZ2-CB 4.49Å; W4-Y241 HydrophobicContact CE3-CD2 4.36Å; W4-Y241 HydrophobicContact CE3-CE2 4.22Å; W4-Y241 AromaticContact CH2-CD2 3.62Å; W4-Y241 HydrophobicContact CH2-CD2 3.62Å; W4-Y241 HydrophobicContact CH2-CE2 4.23Å; W4-Y241 HydrophobicContact CZ2-CD2 4.36Å; W4-Y241 AromaticContact CZ3-CD2 3.61Å; W4-Y241 HydrophobicContact CZ3-CD2 3.61Å; W4-Y241 AromaticContact CZ3-CE2 3.91Å; W4-Y241 HydrophobicContact CZ3-CE2 3.91Å; W4-L244 HydrophobicContact CZ3-CD1 4.04Å; W4-L244 HydrophobicContact CZ3-CD2 4.35Å; W4-K245 WeakPolarHBondContact O-CE 3.43Å; W4-K245 PolarHBondContact O-NZ 2.96Å; W4-Y291 HydrophobicContact CH2-CD1 4.18Å; W4-Y291 AromaticContact CH2-CE1 3.88Å; W4-Y291 HydrophobicContact CH2-CE1 3.88Å; W4-Y291 HydrophobicContact CH2-CE2 4.38Å; W4-Y291 AromaticContact CH2-CZ 3.99Å; W4-Y291 HydrophobicContact CZ2-CD1 4.49Å; W4-Y291 AromaticContact CZ2-CE1 3.77Å; W4-Y291 HydrophobicContact CZ2-CE1 3.77Å; W4-Y291 AromaticContact CZ2-CZ 3.86Å; W4-A301 HydrophobicContact CZ2-CB 3.87Å; W4-P303 HydrophobicContact CD2-CB 4.25Å; W4-P303 HydrophobicContact CD2-CG 4.15Å; W4-P303 HydrophobicContact CE3-CB 3.61Å; W4-P303 HydrophobicContact CE3-CG 3.7Å; W4-P303 HydrophobicContact CH2-CB 4.05Å; W4-P303 HydrophobicContact CH2-CG 3.2Å; W4-P303 HydrophobicContact CZ2-CG 3.7Å; W4-P303 HydrophobicContact CZ3-CB 3.5Å; W4-P303 VanDerWaalsContact CZ3-CB 3.5Å; W4-P303 HydrophobicContact CZ3-CG 3.2Å; W4-F308 HydrophobicContact CB-CD1 4.21Å; W4-F308 HydrophobicContact CB-CE1 3.94Å; W4-F308 HydrophobicContact CE3-CE1 4.3Å; W4-F308 HydrophobicContact CE3-CZ 4.14Å
5F93.9Very high90.4Very high5 Ų524.3 Ų24.32%0.02214%0.141CC..  trans-129.1124.9-180-52.1-45.6000110.6H3 R7 S127 A130 V143 L147 E190 E193H3-F5 HydrophobicContact CB-CE1 3.8Å; H3-F5 HydrophobicContact CB-CE2 4.12Å; H3-F5 HydrophobicContact CB-CZ 3.56Å; F5-R7 VanDerWaalsContact CB-NH1 3.25Å; F5-S127 PolarHBondContact O-OG 3.5Å; F5-A130 HydrophobicContact CD2-CB 4.16Å; F5-A130 HydrophobicContact CE2-CB 3.61Å; F5-A130 HydrophobicContact CZ-CB 4.39Å; F5-V143 HydrophobicContact CE2-CG1 4.18Å; F5-L147 HydrophobicContact CE2-CD1 4.22Å; F5-E190 HydrophobicContact CD1-CB 4.1Å; F5-E190 HydrophobicContact CD1-CG 3.6Å; F5-E190 HydrophobicContact CE1-CB 3.84Å; F5-E190 HydrophobicContact CE1-CG 3.82Å; F5-E190 HydrophobicContact CE2-CB 4.47Å; F5-E190 HydrophobicContact CG-CG 4.08Å; F5-E190 HydrophobicContact CZ-CB 4.05Å; F5-E190 HydrophobicContact CZ-CG 4.45Å; F5-E193 HydrophobicContact CE1-CB 4.5Å; F5-E193 HydrophobicContact CE1-CG 4.35Å
6H93.8Very high90.6Very high4 Ų423.6 Ų23.62%0.01914%0.137CC..  trans-65.6140.3173.2168.580.5000110.4W4 N8 Q186 W238 Y241 Y291 P297W4-H6 HydrophobicContact CZ2-CB 4.49Å; H6-N8 PolarHBondContact NE2-OD1 2.83Å; H6-Q186 PolarHBondContact O-NE2 3.25Å; H6-W238 AromaticContact CD2-CD1 3.77Å; H6-Y241 HydrophobicContact CB-CD1 3.66Å; H6-Y241 HydrophobicContact CB-CD2 3.42Å; H6-Y241 VanDerWaalsContact CB-CD2 3.42Å; H6-Y241 HydrophobicContact CB-CE1 3.99Å; H6-Y241 HydrophobicContact CB-CE2 3.77Å; H6-Y241 HydrophobicContact CB-CG 3.35Å; H6-Y291 AromaticContact ND1-CE2 3.77Å; H6-Y291 AromaticContact ND1-CZ 3.74Å; H6-Y291 PolarHBondContact ND1-OH 3.25Å; H6-P297 PolarHBondContact CE1-O 3.2Å
7R94.4Very high90.7Very high25 Ų2526.1 Ų26.19%0.09416%0.156CC..  trans-131.1124.2176.7-64.7-67.2174.3-105.18.8110.1F5 T123 K124 E190 G298F5-R7 VanDerWaalsContact CB-NH1 3.25Å; R7-T123 WeakPolarHBondContact CD-OG1 3.46Å; R7-T123 VanDerWaalsContact CZ-O 3.24Å; R7-T123 PolarHBondContact NE-O 2.89Å; R7-T123 PolarHBondContact NE-OG1 3.07Å; R7-T123 PolarHBondContact NH2-O 2.94Å; R7-K124 HydrophobicContact CB-CG 4.27Å; R7-K124 HydrophobicContact CG-CG 4.04Å; R7-E190 IonicContact CZ-OE1 3.94Å; R7-E190 IonicContact CZ-OE2 3.54Å; R7-E190 VanDerWaalsContact CZ-OE2 3.27Å; R7-E190 VanDerWaalsContact NH1-CD 3.29Å; R7-E190 IonicContact NH1-OE1 3.91Å; R7-E190 PolarHBondContact NH1-OE1 2.98Å; R7-E190 IonicContact NH1-OE2 3.43Å; R7-E190 PolarHBondContact NH1-OE2 3.3Å; R7-E190 IonicContact NH2-OE1 3.05Å; R7-E190 IonicContact NH2-OE2 2.75Å; R7-E190 PolarHBondContact NH2-OE2 3.44Å; R7-G298 VanDerWaalsContact O-CA 3.3Å; R7-G298 WeakPolarHBondContact O-CA 3.44Å
8N94.1Very high90.8Very high5 Ų524.7 Ų24.73%0.02715%0.148CC..PPolyproline II helixtrans-67.4158.7161.6-64.3-43.9000109.7H6 K124 Y183H6-N8 PolarHBondContact NE2-OD1 2.83Å; N8-K124 WeakPolarHBondContact O-CE 3.41Å; N8-K124 PolarHBondContact O-NZ 3.21Å; N8-Y183 VanDerWaalsContact CB-OH 3.32Å; N8-Y183 WeakPolarHBondContact CB-OH 3.4Å; N8-Y183 PolarHBondContact ND2-OH 3.06Å
9P93.3Very high90.6Very high43 Ų4327.8 Ų27.828%0.27916%0.163SC..PPolyproline II helixtrans-63.7155.9179.926.8-36000112.4T95 P297 E396P9-T95 WeakPolarHBondContact CD-O 2.77Å; P9-T95 WeakPolarHBondContact O-CG2 3.29Å; P9-P297 HydrophobicContact CG-CB 4.39Å; P9-E396 WeakPolarHBondContact CA-OE1 3.25Å
10L95.1Very high90.5Very high9 Ų926.7 Ų26.75%0.04716%0.157CC..PPolyproline II helixtrans-61.2148.9165.1-75.6167000110.9F47 N117 V120 K124 V394 E396L10-F47 HydrophobicContact CD1-CB 3.92Å; L10-N117 VanDerWaalsContact CD2-OD1 3.32Å; L10-N117 WeakPolarHBondContact CD2-OD1 3.49Å; L10-V120 HydrophobicContact CD2-CB 4.15Å; L10-V120 HydrophobicContact CD2-CG1 3.72Å; L10-V120 HydrophobicContact CG-CG1 4.47Å; L10-K124 HydrophobicContact CD1-CD 4.38Å; L10-K124 HydrophobicContact CD2-CD 4.07Å; L10-K124 HydrophobicContact CG-CD 3.85Å; L10-V394 HydrophobicContact CB-CB 4.12Å; L10-V394 HydrophobicContact CB-CG1 4.24Å; L10-V394 HydrophobicContact CB-CG2 4.13Å; L10-V394 HydrophobicContact CD1-CG1 3.92Å; L10-E396 HydrophobicContact CD1-CG 4.18Å; L10-E396 PolarHBondContact N-OE1 3.06Å
11K96Very high90.2Very high1 Ų130 Ų300%0.00417%0.167CC..PPolyproline II helixtrans-70.7139.6170.2-56.7170.866.965.90109.1W92 T93 D94 T95 F116 N117 D174 V394K11-W92 HydrophobicContact CB-CE3 3.67Å; K11-W92 HydrophobicContact CB-CZ3 3.94Å; K11-T93 WeakPolarHBondContact CB-O 3.18Å; K11-T93 WeakPolarHBondContact CE-O 3.41Å; K11-T93 WeakPolarHBondContact CG-O 3.37Å; K11-T93 PolarHBondContact NZ-O 2.93Å; K11-D94 IonicContact NZ-OD1 3.43Å; K11-D94 PolarHBondContact NZ-OD1 3.02Å; K11-T95 HydrophobicContact CG-CG2 4.11Å; K11-F116 HydrophobicContact CD-CB 4.39Å; K11-F116 HydrophobicContact CD-CD1 3.65Å; K11-F116 HydrophobicContact CD-CE1 4.32Å; K11-F116 HydrophobicContact CD-CG 4.28Å; K11-N117 PolarHBondContact N-OD1 3.41Å; K11-N117 PolarHBondContact O-ND2 2.92Å; K11-D174 VanDerWaalsContact CD-OD2 3.24Å; K11-D174 WeakPolarHBondContact CD-OD2 3.41Å; K11-D174 WeakPolarHBondContact CG-OD2 3.29Å; K11-D174 IonicContact NZ-OD2 2.85Å; K11-D174 PolarHBondContact NZ-OD2 3.38Å; K11-V394 VanDerWaalsContact O-CG2 3.28Å; K11-V394 WeakPolarHBondContact O-CG2 3.3Å
12A95.8Very high91.2Very high3 Ų328.1 Ų28.13%0.02517%0.168CC..PPolyproline II helixtrans-103.8154.8171.300000110W92 T93 V391 K392 V394A12-W92 CarbonylContact O-C 3.51Å; A12-W92 VanDerWaalsContact O-CA 3.28Å; A12-W92 WeakPolarHBondContact O-CA 3.38Å; A12-T93 HydrophobicContact CB-CG2 4.16Å; A12-T93 PolarHBondContact N-OG1 3.26Å; A12-T93 PolarHBondContact O-N 3Å; A12-V391 HydrophobicContact CB-CG1 3.58Å; A12-K392 WeakPolarHBondContact CB-O 3.45Å; A12-V394 HydrophobicContact CB-CG2 3.9Å
13T96.4Very high91.8Very high20 Ų2027.3 Ų27.312%0.12316%0.161CC..BIsolated β-bridgetrans-138.5153.3179.9-172.70000111.7R40 L44 K91 W92T13-R40 PolarHBondContact OG1-NH2 2.87Å; T13-L44 HydrophobicContact CG2-CD1 3.82Å; T13-L44 HydrophobicContact CG2-CD2 3.68Å; T13-L44 HydrophobicContact CG2-CG 4.43Å; T13-K91 WeakPolarHBondContact CA-O 3.26Å; T13-K91 WeakPolarHBondContact CB-O 3.06Å; T13-K91 PolarHBondContact OG1-O 2.89Å; T13-W92 VanDerWaalsContact CB-CD2 3.49Å; T13-W92 HydrophobicContact CG2-CD2 4.49Å; T13-W92 HydrophobicContact CG2-CE3 4.37Å; T13-W92 HydrophobicContact CG2-CH2 3.71Å; T13-W92 HydrophobicContact CG2-CZ2 3.82Å; T13-W92 HydrophobicContact CG2-CZ3 3.99Å
14A94Very high91.8Very high17 Ų1726.8 Ų26.814%0.1416%0.16CC..  trans-65.3146.8168.900000110.7R40 K91 V391A14-R40 PolarHBondContact O-NH1 3.33Å; A14-K91 HydrophobicContact CB-CB 4.01Å; A14-K91 PolarHBondContact N-O 3.37Å; A14-K91 VanDerWaalsContact N-O 3.12Å; A14-V391 HydrophobicContact CB-CG2 4.18Å
15P92.1Very high91.4Very high96 Ų9628.4 Ų28.462%0.62318%0.182SC*.  trans-58143167.6-22.133.8000111
16V93.8Very high91.3Very high14 Ų1429.1 Ų29.19%0.08519%0.188CC..  trans-128120.8177.5-178.50000108.3F18 Q88 F90V16-F18 HydrophobicContact CB-CD2 4.25Å; V16-F18 HydrophobicContact CB-CE2 3.91Å; V16-F18 HydrophobicContact CB-CZ 4.37Å; V16-F18 HydrophobicContact CG1-CD1 4.21Å; V16-F18 HydrophobicContact CG1-CD2 3.68Å; V16-F18 HydrophobicContact CG1-CE1 4.11Å; V16-F18 HydrophobicContact CG1-CE2 3.59Å; V16-F18 HydrophobicContact CG1-CG 4.01Å; V16-F18 HydrophobicContact CG1-CZ 3.81Å; V16-Q88 HydrophobicContact CG1-CG 3.8Å; V16-F90 HydrophobicContact CG1-CE1 4.21Å; V16-F90 HydrophobicContact CG2-CD1 3.95Å; V16-F90 HydrophobicContact CG2-CE1 4.19Å
17S91.7Very high91.3Very high66 Ų6634.5 Ų34.546%0.46222%0.223SC..  trans-82.4-21.1-177.264.60000113.4N19 R37S17-N19 PolarHBondContact O-N 3.04Å; S17-N19 VanDerWaalsContact O-N 3.11Å; S17-N19 PolarHBondContact OG-N 3.16Å; S17-R37 WeakPolarHBondContact O-CD 3.18Å
18F92.9Very high91.3Very high1 Ų135.5 Ų35.50%0.00424%0.237CC..  trans50.926.7-169.1-63.4-88.6000113.1V16 F20 C33 L36 R37 R40 Y64 F71 F90V16-F18 HydrophobicContact CB-CD2 4.25Å; V16-F18 HydrophobicContact CB-CE2 3.91Å; V16-F18 HydrophobicContact CB-CZ 4.37Å; V16-F18 HydrophobicContact CG1-CD1 4.21Å; V16-F18 HydrophobicContact CG1-CD2 3.68Å; V16-F18 HydrophobicContact CG1-CE1 4.11Å; V16-F18 HydrophobicContact CG1-CE2 3.59Å; V16-F18 HydrophobicContact CG1-CG 4.01Å; V16-F18 HydrophobicContact CG1-CZ 3.81Å; F18-F20 HydrophobicContact CB-CE2 4.17Å; F18-F20 HydrophobicContact CB-CZ 4.21Å; F18-F20 HydrophobicContact CD1-CE2 4.34Å; F18-F20 AromaticContact CD1-CZ 3.92Å; F18-F20 HydrophobicContact CD1-CZ 3.92Å; F18-F20 WeakPolarHBondContact O-CD2 3.14Å; F18-F20 WeakPolarHBondContact O-CE2 3.43Å; F18-F20 PolarHBondContact O-N 3.17Å; F18-C33 HydrophobicContact CB-CB 4.38Å; F18-C33 WeakPolarHBondContact CB-O 3.36Å; F18-C33 VanDerWaalsContact O-CB 3.3Å; F18-C33 WeakPolarHBondContact O-CB 3.43Å; F18-L36 HydrophobicContact CB-CB 4.5Å; F18-L36 HydrophobicContact CD1-CB 4.01Å; F18-L36 HydrophobicContact CD1-CD1 3.99Å; F18-L36 HydrophobicContact CD2-CB 4.03Å; F18-L36 HydrophobicContact CE1-CB 4.19Å; F18-L36 HydrophobicContact CE1-CD1 4.23Å; F18-L36 HydrophobicContact CE2-CB 4.19Å; F18-L36 HydrophobicContact CG-CB 3.93Å; F18-L36 HydrophobicContact CZ-CB 4.27Å; F18-R37 HydrophobicContact CD2-CB 3.99Å; F18-R40 HydrophobicContact CE2-CB 4.29Å; F18-Y64 HydrophobicContact CZ-CE2 4.47Å; F18-F71 HydrophobicContact CD1-CE2 4.1Å; F18-F71 HydrophobicContact CE1-CE2 4.2Å; F18-F90 HydrophobicContact CE1-CE1 4.18Å; F18-F90 HydrophobicContact CE1-CZ 4.14Å; F18-F90 HydrophobicContact CZ-CE1 4.02Å; F18-F90 HydrophobicContact CZ-CZ 4.41Å
19N88.1Confident91.3Very high83 Ų8335.2 Ų35.244%0.44424%0.235SC..  trans-89.1102176.1-177.25.8000110S17 Y21S17-N19 PolarHBondContact O-N 3.04Å; S17-N19 VanDerWaalsContact O-N 3.11Å; S17-N19 PolarHBondContact OG-N 3.16Å; N19-Y21 PolarHBondContact OD1-N 3.27Å
20F87.8Confident91.3Very high6 Ų636.3 Ų36.33%0.02624%0.239CC..  trans-9616179.2-49.3-63.4000113.4F18 G22 V23 C33 F71 I87 Q88F18-F20 HydrophobicContact CB-CE2 4.17Å; F18-F20 HydrophobicContact CB-CZ 4.21Å; F18-F20 HydrophobicContact CD1-CE2 4.34Å; F18-F20 AromaticContact CD1-CZ 3.92Å; F18-F20 HydrophobicContact CD1-CZ 3.92Å; F18-F20 WeakPolarHBondContact O-CD2 3.14Å; F18-F20 WeakPolarHBondContact O-CE2 3.43Å; F18-F20 PolarHBondContact O-N 3.17Å; F20-G22 PolarHBondContact O-N 3.26Å; F20-V23 HydrophobicContact CB-CB 3.76Å; F20-V23 HydrophobicContact CB-CG1 4.35Å; F20-V23 HydrophobicContact CB-CG2 4.26Å; F20-V23 VanDerWaalsContact O-CB 3.3Å; F20-V23 WeakPolarHBondContact O-CB 3.31Å; F20-V23 VanDerWaalsContact O-CG2 3.28Å; F20-V23 WeakPolarHBondContact O-CG2 3.42Å; F20-V23 PolarHBondContact O-N 3.29Å; F20-C33 VanDerWaalsContact CD2-SG 3.59Å; F20-F71 HydrophobicContact CE2-CE2 4.09Å; F20-F71 AromaticContact CE2-CZ 3.71Å; F20-F71 HydrophobicContact CE2-CZ 3.71Å; F20-F71 AromaticContact CZ-CE2 3.88Å; F20-F71 HydrophobicContact CZ-CE2 3.88Å; F20-F71 AromaticContact CZ-CZ 4Å; F20-F71 HydrophobicContact CZ-CZ 4Å; F20-I87 HydrophobicContact CB-CD1 4.17Å; F20-I87 HydrophobicContact CD1-CD1 3.68Å; F20-I87 HydrophobicContact CD1-CG1 3.94Å; F20-I87 HydrophobicContact CD1-CG2 4.47Å; F20-I87 HydrophobicContact CD2-CD1 4.26Å; F20-I87 HydrophobicContact CE1-CD1 4.12Å; F20-I87 HydrophobicContact CE1-CG1 4.11Å; F20-I87 HydrophobicContact CE1-CG2 3.84Å; F20-I87 HydrophobicContact CG-CD1 3.76Å; F20-I87 HydrophobicContact CZ-CG2 3.91Å; F20-Q88 HydrophobicContact CE1-CB 4.2Å; F20-Q88 HydrophobicContact CZ-CB 4.44Å
21Y83.9Confident91.3Very high97 Ų9740.6 Ų40.638%0.3826%0.257SS..G310 helixtrans50.6-122.2177.7-57.8-78.9000112.2N19 V23 K380 D382N19-Y21 PolarHBondContact OD1-N 3.27Å; Y21-V23 PolarHBondContact O-N 3.03Å; Y21-K380 HydrophobicContact CD2-CB 4.31Å; Y21-D382 PolarHBondContact OH-OD2 3.25Å
22G83.1Confident91.3Very high40 Ų4040.6 Ų40.641%0.41226%0.257SS..G310 helixtrans-69.9-6.8-177.100000115.1F20 K377F20-G22 PolarHBondContact O-N 3.26Å; G22-K377 WeakPolarHBondContact O-CD 3.47Å
23V88Confident91.3Very high1 Ų140.8 Ų40.81%0.00626%0.258CS..G310 helixtrans-71.2-39.7179.2179.40000111.2F20 Y21 G25 I87 F373 D374 L375F20-V23 HydrophobicContact CB-CB 3.76Å; F20-V23 HydrophobicContact CB-CG1 4.35Å; F20-V23 HydrophobicContact CB-CG2 4.26Å; F20-V23 VanDerWaalsContact O-CB 3.3Å; F20-V23 WeakPolarHBondContact O-CB 3.31Å; F20-V23 VanDerWaalsContact O-CG2 3.28Å; F20-V23 WeakPolarHBondContact O-CG2 3.42Å; F20-V23 PolarHBondContact O-N 3.29Å; Y21-V23 PolarHBondContact O-N 3.03Å; V23-G25 PolarHBondContact O-N 3.49Å; V23-I87 HydrophobicContact CG1-CD1 3.85Å; V23-F373 HydrophobicContact CG1-CB 4.35Å; V23-F373 HydrophobicContact CG1-CD1 4.22Å; V23-F373 CarbonylContact O-C 3.51Å; V23-F373 VanDerWaalsContact O-CA 3.28Å; V23-F373 WeakPolarHBondContact O-CA 3.14Å; V23-D374 WeakPolarHBondContact CA-O 3.43Å; V23-D374 PolarHBondContact O-N 3.12Å; V23-L375 HydrophobicContact CG1-CD2 3.99Å
24A88.6Confident91.3Very high8 Ų843.3 Ų43.37%0.06627%0.271CS..BIsolated β-bridgetrans-80.787.3177.200000110.4S26 A29 N30 F373A24-S26 VanDerWaalsContact C-N 3.34Å; A24-S26 PolarHBondContact O-N 3.36Å; A24-A29 HydrophobicContact CB-CB 4.06Å; A24-N30 PolarHBondContact O-ND2 2.87Å; A24-F373 HydrophobicContact CB-CD1 4.28Å; A24-F373 HydrophobicContact CB-CE1 3.97Å
25G82.3Confident91.5Very high52 Ų5244.2 Ų44.254%0.53627%0.273SS..  trans-77-10.1-169.800000116.3V23 T372V23-G25 PolarHBondContact O-N 3.49Å; G25-T372 PolarHBondContact N-O 3.35Å; G25-T372 VanDerWaalsContact N-O 3.1Å
26S91.7Very high91.8Very high20 Ų2039.7 Ų39.714%0.1424%0.244CC..SBendtrans-127157.6-176.471.50000112.9A24 A28 A29 N30 T372A24-S26 VanDerWaalsContact C-N 3.34Å; A24-S26 PolarHBondContact O-N 3.36Å; S26-A28 PolarHBondContact O-N 3.08Å; S26-A29 PolarHBondContact O-N 3.04Å; S26-A29 WeakPolarHBondContact OG-CB 3.29Å; S26-A29 PolarHBondContact OG-N 3.44Å; S26-N30 PolarHBondContact O-N 2.74Å; S26-N30 PolarHBondContact O-ND2 3.03Å; S26-T372 WeakPolarHBondContact CB-OG1 3.48Å; S26-T372 PolarHBondContact OG-OG1 3.24Å
27P93.8Very high92Very high118 Ų11844.3 Ų44.377%0.76626%0.26SS*.Hα-helixtrans-56.7-36.3172-26.235.4000113.2N30 K31P27-N30 PolarHBondContact O-N 2.97Å; P27-K31 WeakPolarHBondContact O-CB 3.25Å; P27-K31 PolarHBondContact O-N 3.11Å
28A94.6Very high92.3Very high45 Ų4544.7 Ų44.737%0.37226%0.259SS..Hα-helixtrans-67.6-43.4177.700000112.3S26 N30 K31 I32 V369S26-A28 PolarHBondContact O-N 3.08Å; A28-N30 VanDerWaalsContact C-N 3.34Å; A28-N30 PolarHBondContact O-N 3.19Å; A28-K31 WeakPolarHBondContact O-CB 3.43Å; A28-K31 PolarHBondContact O-N 3.4Å; A28-I32 PolarHBondContact O-N 3.35Å; A28-V369 HydrophobicContact CB-CG1 3.82Å; A28-V369 HydrophobicContact CB-CG2 3.94Å
29A93.6Very high92.5Very high0 Ų045.6 Ų45.60%027%0.265CS..Hα-helixtrans-62.8-40.8174.700000112A24 S26 K31 I32 C33 V369 F373A24-A29 HydrophobicContact CB-CB 4.06Å; S26-A29 PolarHBondContact O-N 3.04Å; S26-A29 WeakPolarHBondContact OG-CB 3.29Å; S26-A29 PolarHBondContact OG-N 3.44Å; A29-K31 VanDerWaalsContact C-N 3.32Å; A29-K31 PolarHBondContact O-N 2.91Å; A29-I32 PolarHBondContact O-N 3.39Å; A29-C33 PolarHBondContact O-N 3.49Å; A29-C33 VanDerWaalsContact O-N 3.14Å; A29-C33 PolarHBondContact O-SG 2.88Å; A29-V369 HydrophobicContact CB-CG1 4.28Å; A29-F373 HydrophobicContact CB-CD1 4.32Å; A29-F373 HydrophobicContact CB-CD2 4.4Å; A29-F373 HydrophobicContact CB-CE1 3.86Å; A29-F373 HydrophobicContact CB-CE2 3.91Å; A29-F373 HydrophobicContact CB-CZ 3.62Å
30N93.6Very high93Very high65 Ų6541.9 Ų41.935%0.34825%0.245SC..Hα-helixtrans-64.4-36.8174.3-78.1-68.4000112.1A24 S26 P27 A28 C33 N34A24-N30 PolarHBondContact O-ND2 2.87Å; S26-N30 PolarHBondContact O-N 2.74Å; S26-N30 PolarHBondContact O-ND2 3.03Å; P27-N30 PolarHBondContact O-N 2.97Å; A28-N30 VanDerWaalsContact C-N 3.34Å; A28-N30 PolarHBondContact O-N 3.19Å; N30-C33 PolarHBondContact O-N 3.34Å; N30-N34 PolarHBondContact O-N 3.06Å; N30-N34 PolarHBondContact O-ND2 3.28Å; N30-N34 VanDerWaalsContact O-ND2 3.12Å
31K95.8Very high93.5Very high100 Ų10043.8 Ų43.844%0.43526%0.262SS..Hα-helixtrans-61.7-47.1173.9-172.9-177.7178.2-62.40111.4P27 A28 A29 C33 N34 D35 Q364P27-K31 WeakPolarHBondContact O-CB 3.25Å; P27-K31 PolarHBondContact O-N 3.11Å; A28-K31 WeakPolarHBondContact O-CB 3.43Å; A28-K31 PolarHBondContact O-N 3.4Å; A29-K31 VanDerWaalsContact C-N 3.32Å; A29-K31 PolarHBondContact O-N 2.91Å; K31-C33 VanDerWaalsContact C-N 3.29Å; K31-C33 PolarHBondContact O-N 2.84Å; K31-N34 PolarHBondContact O-N 3.46Å; K31-D35 IonicContact NZ-OD1 2.78Å; K31-D35 IonicContact NZ-OD2 3.72Å; K31-D35 PolarHBondContact NZ-OD2 3.25Å; K31-D35 WeakPolarHBondContact O-CB 3.45Å; K31-D35 PolarHBondContact O-N 3.01Å; K31-Q364 VanDerWaalsContact NZ-CD 3.35Å
32I96.4Very high94.1Very high1 Ų145.1 Ų45.11%0.00527%0.266CS..Hα-helixtrans-56.9-43.5176.2-67.7173.5000111.3A28 A29 D35 L36 Q364 V369 Y370A28-I32 PolarHBondContact O-N 3.35Å; A29-I32 PolarHBondContact O-N 3.39Å; I32-D35 PolarHBondContact O-N 2.99Å; I32-L36 HydrophobicContact CG2-CD1 3.95Å; I32-L36 HydrophobicContact CG2-CG 4.4Å; I32-L36 WeakPolarHBondContact O-CB 3.31Å; I32-L36 WeakPolarHBondContact O-CG 3.31Å; I32-L36 PolarHBondContact O-N 3.36Å; I32-Q364 HydrophobicContact CD1-CB 4.43Å; I32-Q364 WeakPolarHBondContact CD1-O 3.43Å; I32-Q364 HydrophobicContact CG1-CB 4.16Å; I32-V369 HydrophobicContact CD1-CB 4.44Å; I32-V369 HydrophobicContact CD1-CG1 3.64Å; I32-Y370 HydrophobicContact CD1-CE2 3.9Å
33C96.1Very high94.8Very high6 Ų643.2 Ų43.24%0.04125%0.246CC..Hα-helixtrans-62.8-44.1178.1-65.10000112.4F18 F20 A29 N30 K31 R37F18-C33 HydrophobicContact CB-CB 4.38Å; F18-C33 WeakPolarHBondContact CB-O 3.36Å; F18-C33 VanDerWaalsContact O-CB 3.3Å; F18-C33 WeakPolarHBondContact O-CB 3.43Å; F20-C33 VanDerWaalsContact CD2-SG 3.59Å; A29-C33 PolarHBondContact O-N 3.49Å; A29-C33 VanDerWaalsContact O-N 3.14Å; A29-C33 PolarHBondContact O-SG 2.88Å; N30-C33 PolarHBondContact O-N 3.34Å; K31-C33 VanDerWaalsContact C-N 3.29Å; K31-C33 PolarHBondContact O-N 2.84Å; C33-R37 PolarHBondContact O-N 3.46Å; C33-R37 VanDerWaalsContact O-N 3.09Å
34N96.4Very high95.2Very high73 Ų7345.4 Ų45.439%0.3926%0.258SS..Hα-helixtrans-64.7-44.4176.1-75.9-43.9000111.7N30 K31 R37 T38N30-N34 PolarHBondContact O-N 3.06Å; N30-N34 PolarHBondContact O-ND2 3.28Å; N30-N34 VanDerWaalsContact O-ND2 3.12Å; K31-N34 PolarHBondContact O-N 3.46Å; N34-R37 WeakPolarHBondContact O-CB 3.46Å; N34-R37 PolarHBondContact O-N 3.08Å; N34-R37 PolarHBondContact OD1-NH2 2.96Å; N34-R37 VanDerWaalsContact OD1-NH2 3.16Å; N34-T38 WeakPolarHBondContact O-CG2 3.44Å; N34-T38 PolarHBondContact O-N 2.88Å; N34-T38 PolarHBondContact O-OG1 2.77Å
35D97.8Very high95.6Very high37 Ų3749.9 Ų49.920%0.19828%0.277CS..Hα-helixtrans-61.2-50.5178-72.31.2000109.4K31 I32 R37 T38 T39 L67 Q364K31-D35 IonicContact NZ-OD1 2.78Å; K31-D35 IonicContact NZ-OD2 3.72Å; K31-D35 PolarHBondContact NZ-OD2 3.25Å; K31-D35 WeakPolarHBondContact O-CB 3.45Å; K31-D35 PolarHBondContact O-N 3.01Å; I32-D35 PolarHBondContact O-N 2.99Å; D35-R37 VanDerWaalsContact C-N 3.3Å; D35-R37 PolarHBondContact O-N 3.46Å; D35-T38 WeakPolarHBondContact CA-OG1 2.97Å; D35-T38 PolarHBondContact O-N 3.15Å; D35-T38 PolarHBondContact O-OG1 2.95Å; D35-T39 WeakPolarHBondContact O-CB 3.44Å; D35-T39 VanDerWaalsContact O-CG2 3.28Å; D35-T39 WeakPolarHBondContact O-CG2 3.32Å; D35-T39 PolarHBondContact O-N 2.97Å; D35-T39 PolarHBondContact O-OG1 2.93Å; D35-L67 HydrophobicContact CB-CD1 3.85Å; D35-Q364 PolarHBondContact OD2-NE2 3.42Å; D35-Q364 PolarHBondContact OD2-OE1 3.35Å; D35-Q364 VanDerWaalsContact OD2-OE1 3.14Å
36L98.1Very high96.3Very high0 Ų047.5 Ų47.50%025%0.252CS..Hα-helixtrans-49.9-47.9173.9-82.4167.4000112.5F18 I32 T39 R40 Y64 L67 L68 F71F18-L36 HydrophobicContact CB-CB 4.5Å; F18-L36 HydrophobicContact CD1-CB 4.01Å; F18-L36 HydrophobicContact CD1-CD1 3.99Å; F18-L36 HydrophobicContact CD2-CB 4.03Å; F18-L36 HydrophobicContact CE1-CB 4.19Å; F18-L36 HydrophobicContact CE1-CD1 4.23Å; F18-L36 HydrophobicContact CE2-CB 4.19Å; F18-L36 HydrophobicContact CG-CB 3.93Å; F18-L36 HydrophobicContact CZ-CB 4.27Å; I32-L36 HydrophobicContact CG2-CD1 3.95Å; I32-L36 HydrophobicContact CG2-CG 4.4Å; I32-L36 WeakPolarHBondContact O-CB 3.31Å; I32-L36 WeakPolarHBondContact O-CG 3.31Å; I32-L36 PolarHBondContact O-N 3.36Å; L36-T39 PolarHBondContact O-OG1 3.07Å; L36-R40 WeakPolarHBondContact O-CB 3.46Å; L36-R40 PolarHBondContact O-N 2.72Å; L36-Y64 HydrophobicContact CD2-CD2 4.42Å; L36-Y64 HydrophobicContact CD2-CE2 4.1Å; L36-L67 HydrophobicContact CD2-CB 3.61Å; L36-L67 HydrophobicContact CG-CB 4.1Å; L36-L68 HydrophobicContact CD2-CB 4.37Å; L36-F71 HydrophobicContact CD1-CE1 3.83Å; L36-F71 HydrophobicContact CD1-CE2 4.01Å; L36-F71 HydrophobicContact CD1-CZ 3.5Å
37R97.4Very high96.4Very high111 Ų11147 Ų4742%0.41925%0.248SC..Hα-helixtrans-60-50.7177.2-179-175.262.8-168.4-5.1111.5S17 F18 C33 N34 D35 A41S17-R37 WeakPolarHBondContact O-CD 3.18Å; F18-R37 HydrophobicContact CD2-CB 3.99Å; C33-R37 PolarHBondContact O-N 3.46Å; C33-R37 VanDerWaalsContact O-N 3.09Å; N34-R37 WeakPolarHBondContact O-CB 3.46Å; N34-R37 PolarHBondContact O-N 3.08Å; N34-R37 PolarHBondContact OD1-NH2 2.96Å; N34-R37 VanDerWaalsContact OD1-NH2 3.16Å; D35-R37 VanDerWaalsContact C-N 3.3Å; D35-R37 PolarHBondContact O-N 3.46Å; R37-A41 WeakPolarHBondContact O-CB 3.48Å; R37-A41 PolarHBondContact O-N 3.49Å
38T97.9Very high96.2Very high75 Ų7543.8 Ų43.846%0.4623%0.226SC..Hα-helixtrans-68.2-42-175.959.20000112.4N34 D35 A41 R42N34-T38 WeakPolarHBondContact O-CG2 3.44Å; N34-T38 PolarHBondContact O-N 2.88Å; N34-T38 PolarHBondContact O-OG1 2.77Å; D35-T38 WeakPolarHBondContact CA-OG1 2.97Å; D35-T38 PolarHBondContact O-N 3.15Å; D35-T38 PolarHBondContact O-OG1 2.95Å; T38-A41 PolarHBondContact O-N 2.98Å; T38-R42 WeakPolarHBondContact O-CB 3.4Å; T38-R42 PolarHBondContact O-N 3.17Å
39T98.3Very high96.1Very high20 Ų2043.9 Ų43.912%0.12322%0.22CC..Hα-helixtrans-71.5-35.9-179.659.90000111.3D35 L36 R42 L43 V63 L67D35-T39 WeakPolarHBondContact O-CB 3.44Å; D35-T39 VanDerWaalsContact O-CG2 3.28Å; D35-T39 WeakPolarHBondContact O-CG2 3.32Å; D35-T39 PolarHBondContact O-N 2.97Å; D35-T39 PolarHBondContact O-OG1 2.93Å; L36-T39 PolarHBondContact O-OG1 3.07Å; T39-R42 PolarHBondContact O-N 3.26Å; T39-L43 WeakPolarHBondContact O-CB 3.45Å; T39-L43 PolarHBondContact O-N 3.04Å; T39-V63 HydrophobicContact CG2-CG1 3.45Å; T39-V63 VanDerWaalsContact CG2-CG1 3.45Å; T39-L67 HydrophobicContact CG2-CD1 4.08Å
40R98.4Very high95.8Very high5 Ų547.4 Ų47.42%0.01925%0.245CC..Hα-helixtrans-62.8-48.2172.2-171.2-179.4-170.5-100.35.9111.4T13 A14 F18 L36 R42 L43 L44 Y64 E110 M114T13-R40 PolarHBondContact OG1-NH2 2.87Å; A14-R40 PolarHBondContact O-NH1 3.33Å; F18-R40 HydrophobicContact CE2-CB 4.29Å; L36-R40 WeakPolarHBondContact O-CB 3.46Å; L36-R40 PolarHBondContact O-N 2.72Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 3.07Å; R40-L43 PolarHBondContact O-N 3.02Å; R40-L44 HydrophobicContact CG-CD1 4.17Å; R40-L44 WeakPolarHBondContact O-CG 3.3Å; R40-L44 PolarHBondContact O-N 3.05Å; R40-Y64 HydrophobicContact CB-CD2 3.93Å; R40-Y64 HydrophobicContact CB-CE2 3.53Å; R40-Y64 WeakPolarHBondContact CD-OH 3.38Å; R40-Y64 HydrophobicContact CG-CE1 4.3Å; R40-Y64 HydrophobicContact CG-CE2 3.91Å; R40-Y64 PolarHBondContact NE-OH 3.11Å; R40-E110 IonicContact CZ-OE1 2.68Å; R40-E110 IonicContact CZ-OE2 3.05Å; R40-E110 IonicContact NE-OE1 2.61Å; R40-E110 PolarHBondContact NE-OE1 3Å; R40-E110 IonicContact NE-OE2 3.5Å; R40-E110 IonicContact NH2-OE1 3.32Å; R40-E110 PolarHBondContact NH2-OE1 3.11Å; R40-E110 IonicContact NH2-OE2 3.54Å; R40-E110 PolarHBondContact NH2-OE2 2.71Å; R40-M114 HydrophobicContact CG-CE 3.88Å
41A97Very high95.7Very high46 Ų4648.9 Ų48.938%0.3826%0.256SS..Hα-helixtrans-59.7-45.2177.400000111R37 T38 L43 L44 E45R37-A41 WeakPolarHBondContact O-CB 3.48Å; R37-A41 PolarHBondContact O-N 3.49Å; T38-A41 PolarHBondContact O-N 2.98Å; A41-L43 PolarHBondContact O-N 3.48Å; A41-L44 PolarHBondContact O-N 3.18Å; A41-E45 WeakPolarHBondContact O-CG 3.47Å; A41-E45 PolarHBondContact O-N 3.36Å
42R97.1Very high95.7Very high124 Ų12444.2 Ų44.247%0.46824%0.236SC..Hα-helixtrans-59-46176.9-178.258178.9171.63112.3T38 T39 R40 L44 E45 M46T38-R42 WeakPolarHBondContact O-CB 3.4Å; T38-R42 PolarHBondContact O-N 3.17Å; T39-R42 PolarHBondContact O-N 3.26Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 3.07Å; R42-L44 VanDerWaalsContact C-N 3.34Å; R42-L44 PolarHBondContact O-N 3.22Å; R42-E45 IonicContact NH1-OE2 3.75Å; R42-E45 PolarHBondContact NH1-OE2 2.95Å; R42-E45 WeakPolarHBondContact O-CB 3.49Å; R42-E45 PolarHBondContact O-N 3.49Å; R42-M46 WeakPolarHBondContact O-CG 3.41Å; R42-M46 PolarHBondContact O-N 3.24Å
43L98.2Very high95.7Very high0 Ų046.8 Ų46.80%025%0.252CS..Hα-helixtrans-62.2-41.9177.4178.757.9000111.8T39 R40 A41 E45 M46 F47 M57 A60 Y64 M114 V118T39-L43 WeakPolarHBondContact O-CB 3.45Å; T39-L43 PolarHBondContact O-N 3.04Å; R40-L43 PolarHBondContact O-N 3.02Å; A41-L43 PolarHBondContact O-N 3.48Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 3.34Å; L43-M46 WeakPolarHBondContact O-CB 3.42Å; L43-M46 PolarHBondContact O-N 2.9Å; L43-M46 VanDerWaalsContact O-N 3.14Å; L43-F47 HydrophobicContact CD1-CE1 4.43Å; L43-F47 HydrophobicContact CD1-CZ 4.31Å; L43-F47 HydrophobicContact CG-CZ 4.13Å; L43-M57 HydrophobicContact CD1-SD 3.56Å; L43-M57 VanDerWaalsContact CD1-SD 3.56Å; L43-A60 HydrophobicContact CD1-CB 3.98Å; L43-Y64 HydrophobicContact CD2-CD1 3.68Å; L43-Y64 HydrophobicContact CD2-CG 4.26Å; L43-M114 HydrophobicContact CD2-CE 4.35Å; L43-M114 HydrophobicContact CD2-CG 3.59Å; L43-M114 HydrophobicContact CD2-SD 3.68Å; L43-M114 HydrophobicContact CG-SD 4.1Å; L43-V118 HydrophobicContact CD1-CG2 4.35Å
44L97.3Very high95.7Very high47 Ų4748.1 Ų48.125%0.24626%0.261CS..Hα-helixtrans-62.3-37.9177.1-72.5166.6000112.5T13 R40 A41 R42 M46 F47 W92 M114T13-L44 HydrophobicContact CG2-CD1 3.82Å; T13-L44 HydrophobicContact CG2-CD2 3.68Å; T13-L44 HydrophobicContact CG2-CG 4.43Å; R40-L44 HydrophobicContact CG-CD1 4.17Å; R40-L44 WeakPolarHBondContact O-CG 3.3Å; R40-L44 PolarHBondContact O-N 3.05Å; A41-L44 PolarHBondContact O-N 3.18Å; R42-L44 VanDerWaalsContact C-N 3.34Å; R42-L44 PolarHBondContact O-N 3.22Å; L44-M46 VanDerWaalsContact C-N 3.3Å; L44-M46 PolarHBondContact O-N 3.24Å; L44-F47 HydrophobicContact CD2-CD2 4.05Å; L44-F47 HydrophobicContact CD2-CE2 3.9Å; L44-F47 PolarHBondContact O-N 3.33Å; L44-W92 HydrophobicContact CD2-CH2 4.07Å; L44-M114 HydrophobicContact CD2-CE 3.98Å; L44-M114 HydrophobicContact CD2-SD 4.3Å; L44-M114 HydrophobicContact CG-CE 4.05Å
45E95.4Very high95.7Very high103 Ų10351.5 Ų51.548%0.48127%0.274SS..Hα-helixtrans-61.8-37.6173.6-70.3169-175.900112.1A41 R42 L43 F47 T48 D49A41-E45 WeakPolarHBondContact O-CG 3.47Å; A41-E45 PolarHBondContact O-N 3.36Å; R42-E45 IonicContact NH1-OE2 3.75Å; R42-E45 PolarHBondContact NH1-OE2 2.95Å; R42-E45 WeakPolarHBondContact O-CB 3.49Å; R42-E45 PolarHBondContact O-N 3.49Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 3.34Å; E45-F47 PolarHBondContact O-N 3.04Å; E45-T48 PolarHBondContact O-N 2.88Å; E45-T48 PolarHBondContact O-OG1 2.88Å; E45-D49 PolarHBondContact O-N 3.3Å; E45-D49 VanDerWaalsContact O-N 3.15Å
46M96.4Very high95.7Very high2 Ų252.8 Ų52.81%0.0128%0.28CS..Hα-helixtrans-65.9-19-178.9-63.9-54.684.300113.4R42 L43 L44 T48 D49 I56 M57 A60 W121R42-M46 WeakPolarHBondContact O-CG 3.41Å; R42-M46 PolarHBondContact O-N 3.24Å; L43-M46 WeakPolarHBondContact O-CB 3.42Å; L43-M46 PolarHBondContact O-N 2.9Å; L43-M46 VanDerWaalsContact O-N 3.14Å; L44-M46 VanDerWaalsContact C-N 3.3Å; L44-M46 PolarHBondContact O-N 3.24Å; M46-T48 VanDerWaalsContact C-N 3.31Å; M46-T48 PolarHBondContact O-N 2.95Å; M46-D49 HydrophobicContact CE-CB 4.07Å; M46-I56 HydrophobicContact CG-CG2 4.31Å; M46-I56 HydrophobicContact SD-CG2 3.51Å; M46-I56 VanDerWaalsContact SD-CG2 3.51Å; M46-M57 HydrophobicContact CB-CE 3.71Å; M46-A60 HydrophobicContact CG-CB 4.03Å; M46-W121 PolarHBondContact O-NE1 3.37Å
47F94.8Very high95.7Very high10 Ų1052.8 Ų52.84%0.04428%0.28CS..THydrogen-bonded Turntrans-69.5-29177.7-65.9-42.1000113.5L10 L43 L44 E45 M57 M114 N117 V118 W121L10-F47 HydrophobicContact CD1-CB 3.92Å; L43-F47 HydrophobicContact CD1-CE1 4.43Å; L43-F47 HydrophobicContact CD1-CZ 4.31Å; L43-F47 HydrophobicContact CG-CZ 4.13Å; L44-F47 HydrophobicContact CD2-CD2 4.05Å; L44-F47 HydrophobicContact CD2-CE2 3.9Å; L44-F47 PolarHBondContact O-N 3.33Å; E45-F47 PolarHBondContact O-N 3.04Å; F47-M57 HydrophobicContact CD1-CE 3.54Å; F47-M57 HydrophobicContact CD1-SD 4.37Å; F47-M57 HydrophobicContact CE1-CE 3.76Å; F47-M57 HydrophobicContact CE1-SD 3.98Å; F47-M114 HydrophobicContact CE2-SD 3.61Å; F47-M114 HydrophobicContact CZ-SD 3.72Å; F47-N117 WeakPolarHBondContact CD2-ND2 3.44Å; F47-N117 HydrophobicContact CE1-CB 4.46Å; F47-N117 HydrophobicContact CE2-CB 4.12Å; F47-N117 WeakPolarHBondContact CE2-ND2 3.21Å; F47-N117 HydrophobicContact CZ-CB 3.91Å; F47-V118 HydrophobicContact CE1-CB 4.44Å; F47-V118 HydrophobicContact CE1-CG2 3.85Å; F47-V118 HydrophobicContact CZ-CG2 3.89Å; F47-W121 HydrophobicContact CD1-CB 3.83Å; F47-W121 HydrophobicContact CD1-CG 4.11Å; F47-W121 HydrophobicContact CE1-CB 4.22Å
48T90.6Very high95.7Very high49 Ų4952.3 Ų52.330%0.30128%0.281SS..THydrogen-bonded Turntrans-111.1-8.6-178.656.50000113.4E45 M46 S50 V394 K395E45-T48 PolarHBondContact O-N 2.88Å; E45-T48 PolarHBondContact O-OG1 2.88Å; M46-T48 VanDerWaalsContact C-N 3.31Å; M46-T48 PolarHBondContact O-N 2.95Å; T48-S50 PolarHBondContact O-N 3.47Å; T48-V394 HydrophobicContact CG2-CG1 3.22Å; T48-K395 WeakPolarHBondContact CG2-O 3.33Å
49D91.6Very high95.7Very high47 Ų4753.1 Ų53.125%0.25128%0.283SS..  trans-65.9116.5173-173.6-13.1000111.1E45 M46 T51 C52E45-D49 PolarHBondContact O-N 3.3Å; E45-D49 VanDerWaalsContact O-N 3.15Å; M46-D49 HydrophobicContact CE-CB 4.07Å; D49-T51 PolarHBondContact O-N 3.24Å; D49-T51 WeakPolarHBondContact OD1-CA 3.42Å; D49-T51 WeakPolarHBondContact OD1-CB 3.35Å; D49-T51 PolarHBondContact OD1-N 3.06Å; D49-T51 PolarHBondContact OD1-OG1 2.98Å; D49-T51 PolarHBondContact OD2-OG1 3.15Å; D49-C52 HydrophobicContact CB-CB 4.11Å; D49-C52 VanDerWaalsContact O-CB 3.3Å; D49-C52 WeakPolarHBondContact O-CB 3.43Å; D49-C52 PolarHBondContact O-N 2.83Å
50S88.3Confident95.7Very high74 Ų7452.9 Ų52.952%0.51728%0.282SS..THydrogen-bonded Turntrans-67.7-23.6-179.660.40000113T48 R128T48-S50 PolarHBondContact O-N 3.47Å; S50-R128 PolarHBondContact O-NH1 2.78Å; S50-R128 VanDerWaalsContact O-NH1 3.17Å; S50-R128 PolarHBondContact O-NH2 3.43Å
51T90.8Very high95.7Very high97 Ų9752.9 Ų52.960%0.59528%0.283SS*.THydrogen-bonded Turntrans-87.3-8.2179.572.40000113.2D49 T53D49-T51 PolarHBondContact O-N 3.24Å; D49-T51 WeakPolarHBondContact OD1-CA 3.42Å; D49-T51 WeakPolarHBondContact OD1-CB 3.35Å; D49-T51 PolarHBondContact OD1-N 3.06Å; D49-T51 PolarHBondContact OD1-OG1 2.98Å; D49-T51 PolarHBondContact OD2-OG1 3.15Å; T51-T53 PolarHBondContact O-N 3.42Å
52C94.9Very high95.7Very high1 Ų152.2 Ų52.21%0.00727%0.274CS..  trans-61.7127.7179.2-171.80000111.4D49 W121D49-C52 HydrophobicContact CB-CB 4.11Å; D49-C52 VanDerWaalsContact O-CB 3.3Å; D49-C52 WeakPolarHBondContact O-CB 3.43Å; D49-C52 PolarHBondContact O-N 2.83Å; C52-W121 HydrophobicContact CB-CZ2 3.93Å; C52-W121 WeakPolarHBondContact SG-CZ2 3.43Å
53T96.1Very high95.8Very high56 Ų5649.9 Ų49.934%0.34427%0.273SS..  trans-107.2163.9176.467.20000110.4T51 E55 I56 M57T51-T53 PolarHBondContact O-N 3.42Å; T53-E55 PolarHBondContact O-N 3.25Å; T53-I56 HydrophobicContact CG2-CD1 4.34Å; T53-I56 PolarHBondContact O-N 3.23Å; T53-I56 WeakPolarHBondContact OG1-CG1 3.47Å; T53-I56 PolarHBondContact OG1-N 3.13Å; T53-M57 PolarHBondContact O-N 2.84Å
54P96.4Very high95.8Very high34 Ų3449.9 Ų49.922%0.22127%0.273CS..Hα-helixtrans-52.1-37.4175-33.340.1000113.7K58 W121 Y122 F125P54-K58 VanDerWaalsContact O-CB 3.25Å; P54-K58 WeakPolarHBondContact O-CB 3.5Å; P54-K58 PolarHBondContact O-N 3Å; P54-W121 HydrophobicContact CG-CH2 4.46Å; P54-Y122 HydrophobicContact CB-CE1 3.98Å; P54-Y122 HydrophobicContact CG-CE1 4.46Å; P54-Y122 PolarHBondContact O-OH 3.06Å; P54-F125 VanDerWaalsContact CD-CZ 3.5Å; P54-F125 HydrophobicContact CG-CD1 4.18Å; P54-F125 HydrophobicContact CG-CE1 3.64Å; P54-F125 HydrophobicContact CG-CE2 4.47Å; P54-F125 HydrophobicContact CG-CZ 3.82Å
55E96.8Very high95.8Very high143 Ų14347.7 Ų47.767%0.66826%0.261SS*.Hα-helixtrans-63-48.8176.4-148.994.8-170.100111.5T53 K58 N59T53-E55 PolarHBondContact O-N 3.25Å; E55-K58 PolarHBondContact O-N 3.5Å; E55-N59 WeakPolarHBondContact O-CB 3.26Å; E55-N59 VanDerWaalsContact O-CG 3.23Å; E55-N59 PolarHBondContact O-N 3.42Å; E55-N59 PolarHBondContact O-ND2 3.17Å
56I97.8Very high96Very high64 Ų6443.5 Ų43.533%0.32824%0.243SC..Hα-helixtrans-64.4-45.2-179.9-65.6169.3000110.1M46 T53 N59 A60M46-I56 HydrophobicContact CG-CG2 4.31Å; M46-I56 HydrophobicContact SD-CG2 3.51Å; M46-I56 VanDerWaalsContact SD-CG2 3.51Å; T53-I56 HydrophobicContact CG2-CD1 4.34Å; T53-I56 PolarHBondContact O-N 3.23Å; T53-I56 WeakPolarHBondContact OG1-CG1 3.47Å; T53-I56 PolarHBondContact OG1-N 3.13Å; I56-N59 PolarHBondContact O-N 3.48Å; I56-A60 WeakPolarHBondContact O-CB 3.24Å; I56-A60 PolarHBondContact O-N 3.18Å
57M98Very high96Very high0 Ų043.6 Ų43.60%024%0.244CC..Hα-helixtrans-60.5-48.2177179.354.467.600111L43 M46 F47 T53 N59 A60 S61 V118 W121 Y122L43-M57 HydrophobicContact CD1-SD 3.56Å; L43-M57 VanDerWaalsContact CD1-SD 3.56Å; M46-M57 HydrophobicContact CB-CE 3.71Å; F47-M57 HydrophobicContact CD1-CE 3.54Å; F47-M57 HydrophobicContact CD1-SD 4.37Å; F47-M57 HydrophobicContact CE1-CE 3.76Å; F47-M57 HydrophobicContact CE1-SD 3.98Å; T53-M57 PolarHBondContact O-N 2.84Å; M57-N59 PolarHBondContact O-N 2.77Å; M57-A60 PolarHBondContact O-N 3.32Å; M57-S61 WeakPolarHBondContact O-CB 3.37Å; M57-S61 PolarHBondContact O-N 2.87Å; M57-S61 PolarHBondContact O-OG 2.68Å; M57-S61 VanDerWaalsContact O-OG 3.14Å; M57-V118 HydrophobicContact CG-CG1 4.14Å; M57-V118 HydrophobicContact SD-CG1 4.3Å; M57-V118 HydrophobicContact SD-CG2 4.23Å; M57-W121 HydrophobicContact CB-CD2 4.36Å; M57-W121 HydrophobicContact CB-CE3 3.92Å; M57-W121 HydrophobicContact CB-CH2 3.67Å; M57-W121 HydrophobicContact CB-CZ2 4.09Å; M57-W121 HydrophobicContact CB-CZ3 3.56Å; M57-W121 HydrophobicContact CE-CB 4.25Å; M57-W121 HydrophobicContact CE-CD2 3.48Å; M57-W121 VanDerWaalsContact CE-CD2 3.48Å; M57-W121 HydrophobicContact CE-CE3 4.07Å; M57-W121 HydrophobicContact CE-CG 3.54Å; M57-W121 HydrophobicContact CE-CZ2 4.31Å; M57-W121 HydrophobicContact CG-CD2 4Å; M57-W121 HydrophobicContact CG-CE3 3.55Å; M57-W121 HydrophobicContact CG-CH2 4.27Å; M57-W121 HydrophobicContact CG-CZ3 3.71Å; M57-W121 HydrophobicContact SD-CD2 4.47Å; M57-Y122 HydrophobicContact CG-CE2 4.25Å
58K97.3Very high96.2Very high102 Ų10243.1 Ų43.144%0.44324%0.242SC..Hα-helixtrans-58.6-47.7178.1176.3168.3171.348.60111.7P54 E55 A60 S61 D62P54-K58 VanDerWaalsContact O-CB 3.25Å; P54-K58 WeakPolarHBondContact O-CB 3.5Å; P54-K58 PolarHBondContact O-N 3Å; E55-K58 PolarHBondContact O-N 3.5Å; K58-A60 PolarHBondContact O-N 3.48Å; K58-S61 WeakPolarHBondContact CA-OG 3.29Å; K58-S61 PolarHBondContact O-N 3.3Å; K58-S61 PolarHBondContact O-OG 3.14Å; K58-D62 WeakPolarHBondContact CE-OD2 3.44Å; K58-D62 IonicContact NZ-OD1 3.95Å; K58-D62 PolarHBondContact NZ-OD1 2.86Å; K58-D62 IonicContact NZ-OD2 3.7Å; K58-D62 PolarHBondContact NZ-OD2 2.88Å; K58-D62 VanDerWaalsContact O-CB 3.3Å; K58-D62 WeakPolarHBondContact O-CB 3.35Å; K58-D62 PolarHBondContact O-N 3.26Å
59N97.9Very high96.4Very high92 Ų9242 Ų4249%0.49223%0.233SC..Hα-helixtrans-62.4-44.4179.6-70.3-21.7000111.6E55 I56 M57 D62 V63E55-N59 WeakPolarHBondContact O-CB 3.26Å; E55-N59 VanDerWaalsContact O-CG 3.23Å; E55-N59 PolarHBondContact O-N 3.42Å; E55-N59 PolarHBondContact O-ND2 3.17Å; I56-N59 PolarHBondContact O-N 3.48Å; M57-N59 PolarHBondContact O-N 2.77Å; N59-D62 PolarHBondContact O-N 2.93Å; N59-V63 VanDerWaalsContact O-CG2 3.25Å; N59-V63 WeakPolarHBondContact O-CG2 3.47Å; N59-V63 PolarHBondContact O-N 3.38Å; N59-V63 VanDerWaalsContact O-N 3.08Å
60A98.3Very high96.5Very high14 Ų1439.7 Ų39.712%0.11622%0.221CC..Hα-helixtrans-64.5-40.7177.500000112.1L43 M46 I56 M57 K58 Y64L43-A60 HydrophobicContact CD1-CB 3.98Å; M46-A60 HydrophobicContact CG-CB 4.03Å; I56-A60 WeakPolarHBondContact O-CB 3.24Å; I56-A60 PolarHBondContact O-N 3.18Å; M57-A60 PolarHBondContact O-N 3.32Å; K58-A60 PolarHBondContact O-N 3.48Å; A60-Y64 PolarHBondContact O-N 3.08Å
61S98.1Very high96.9Very high5 Ų536.2 Ų36.24%0.03520%0.196CC..Hα-helixtrans-67.5-42.1177.264.20000111.9M57 K58 Y64 F65M57-S61 WeakPolarHBondContact O-CB 3.37Å; M57-S61 PolarHBondContact O-N 2.87Å; M57-S61 PolarHBondContact O-OG 2.68Å; M57-S61 VanDerWaalsContact O-OG 3.14Å; K58-S61 WeakPolarHBondContact CA-OG 3.29Å; K58-S61 PolarHBondContact O-N 3.3Å; K58-S61 PolarHBondContact O-OG 3.14Å; S61-Y64 PolarHBondContact O-N 3.15Å; S61-F65 VanDerWaalsContact O-CB 3.31Å; S61-F65 WeakPolarHBondContact O-CB 3.29Å; S61-F65 WeakPolarHBondContact O-CD2 3.49Å; S61-F65 WeakPolarHBondContact O-CG 3.32Å; S61-F65 PolarHBondContact O-N 3.01Å
62D98.3Very high97Very high33 Ų3331.6 Ų31.618%0.17617%0.168CC..Hα-helixtrans-65.1-43.5-178.4-72.9-3.1000111K58 N59 Y64 S66 P359K58-D62 WeakPolarHBondContact CE-OD2 3.44Å; K58-D62 IonicContact NZ-OD1 3.95Å; K58-D62 PolarHBondContact NZ-OD1 2.86Å; K58-D62 IonicContact NZ-OD2 3.7Å; K58-D62 PolarHBondContact NZ-OD2 2.88Å; K58-D62 VanDerWaalsContact O-CB 3.3Å; K58-D62 WeakPolarHBondContact O-CB 3.35Å; K58-D62 PolarHBondContact O-N 3.26Å; N59-D62 PolarHBondContact O-N 2.93Å; D62-Y64 PolarHBondContact O-N 3.38Å; D62-S66 WeakPolarHBondContact O-CB 3.46Å; D62-S66 PolarHBondContact O-N 3.1Å; D62-S66 PolarHBondContact O-OG 2.92Å; D62-P359 HydrophobicContact CB-CB 3.96Å; D62-P359 HydrophobicContact CB-CG 4.3Å; D62-P359 WeakPolarHBondContact O-CG 3.47Å
63V98.1Very high96.8Very high74 Ų7433.4 Ų33.445%0.44818%0.181SC..Hα-helixtrans-62.4-43.8177.21740000111T39 N59 S66T39-V63 HydrophobicContact CG2-CG1 3.45Å; T39-V63 VanDerWaalsContact CG2-CG1 3.45Å; N59-V63 VanDerWaalsContact O-CG2 3.25Å; N59-V63 WeakPolarHBondContact O-CG2 3.47Å; N59-V63 PolarHBondContact O-N 3.38Å; N59-V63 VanDerWaalsContact O-N 3.08Å; V63-S66 PolarHBondContact O-OG 3.03Å
64Y98.6Very high96.3Very high0 Ų032.4 Ų32.40%018%0.176CC..Hα-helixtrans-69.3-47.4178177.8-125.1000112.7F18 L36 R40 L43 A60 S61 D62 S66 L67 L68 E110 M114F18-Y64 HydrophobicContact CZ-CE2 4.47Å; L36-Y64 HydrophobicContact CD2-CD2 4.42Å; L36-Y64 HydrophobicContact CD2-CE2 4.1Å; R40-Y64 HydrophobicContact CB-CD2 3.93Å; R40-Y64 HydrophobicContact CB-CE2 3.53Å; R40-Y64 WeakPolarHBondContact CD-OH 3.38Å; R40-Y64 HydrophobicContact CG-CE1 4.3Å; R40-Y64 HydrophobicContact CG-CE2 3.91Å; R40-Y64 PolarHBondContact NE-OH 3.11Å; L43-Y64 HydrophobicContact CD2-CD1 3.68Å; L43-Y64 HydrophobicContact CD2-CG 4.26Å; A60-Y64 PolarHBondContact O-N 3.08Å; S61-Y64 PolarHBondContact O-N 3.15Å; D62-Y64 PolarHBondContact O-N 3.38Å; Y64-S66 PolarHBondContact O-N 3.48Å; Y64-L67 PolarHBondContact O-N 3.34Å; Y64-L68 HydrophobicContact CE1-CD2 4.05Å; Y64-L68 HydrophobicContact CE2-CB 4.46Å; Y64-L68 WeakPolarHBondContact O-CB 3.35Å; Y64-L68 PolarHBondContact O-N 2.92Å; Y64-E110 VanDerWaalsContact OH-CG 3.28Å; Y64-E110 WeakPolarHBondContact OH-CG 3.46Å; Y64-E110 PolarHBondContact OH-OE1 2.83Å; Y64-M114 HydrophobicContact CD1-CE 4.39Å; Y64-M114 HydrophobicContact CD1-CG 4.07Å; Y64-M114 HydrophobicContact CE1-CB 4.32Å; Y64-M114 HydrophobicContact CE1-CE 3.82Å; Y64-M114 HydrophobicContact CE1-CG 3.87Å
65F98.4Very high95.7Very high1 Ų132.3 Ų32.30%0.00417%0.173CC..Hα-helixtrans-68.7-32.6-177-64.4-33.8000112.8S61 L67 L68 Q69 L111 M114 A115 V118 L358 P359S61-F65 VanDerWaalsContact O-CB 3.31Å; S61-F65 WeakPolarHBondContact O-CB 3.29Å; S61-F65 WeakPolarHBondContact O-CD2 3.49Å; S61-F65 WeakPolarHBondContact O-CG 3.32Å; S61-F65 PolarHBondContact O-N 3.01Å; F65-L67 VanDerWaalsContact C-N 3.27Å; F65-L67 PolarHBondContact O-N 3.31Å; F65-L68 PolarHBondContact O-N 3.21Å; F65-Q69 WeakPolarHBondContact O-CB 3.17Å; F65-Q69 WeakPolarHBondContact O-CG 3.4Å; F65-Q69 PolarHBondContact O-N 3.43Å; F65-Q69 PolarHBondContact O-NE2 3.4Å; F65-Q69 VanDerWaalsContact O-NE2 3.1Å; F65-L111 HydrophobicContact CD1-CD1 3.62Å; F65-L111 HydrophobicContact CE1-CD1 4.02Å; F65-L111 HydrophobicContact CG-CD1 4.14Å; F65-M114 HydrophobicContact CE1-CB 3.94Å; F65-M114 HydrophobicContact CE1-CG 3.7Å; F65-M114 HydrophobicContact CZ-CB 4.32Å; F65-M114 HydrophobicContact CZ-CG 3.92Å; F65-A115 HydrophobicContact CE2-CB 4.28Å; F65-A115 HydrophobicContact CZ-CB 3.82Å; F65-V118 HydrophobicContact CE2-CG2 4.44Å; F65-V118 HydrophobicContact CZ-CG2 4.21Å; F65-L358 HydrophobicContact CB-CD2 4.38Å; F65-L358 HydrophobicContact CD2-CD2 4.28Å; F65-L358 HydrophobicContact CG-CD2 4.37Å; F65-P359 HydrophobicContact CB-CG 3.73Å
66S97.8Very high94.5Very high16 Ų1630.8 Ų30.811%0.11217%0.17CC..Hα-helixtrans-62-35174.464.30000112.4D62 V63 Y64 P360 S362D62-S66 WeakPolarHBondContact O-CB 3.46Å; D62-S66 PolarHBondContact O-N 3.1Å; D62-S66 PolarHBondContact O-OG 2.92Å; V63-S66 PolarHBondContact O-OG 3.03Å; Y64-S66 PolarHBondContact O-N 3.48Å; S66-P360 WeakPolarHBondContact CB-O 3.28Å; S66-S362 PolarHBondContact O-N 3.4Å
67L97.6Very high93.1Very high4 Ų431.5 Ų31.52%0.02119%0.193CC..Hα-helixtrans-79.3-45.7175-70.2167.7000112.2D35 L36 T39 Y64 F65 Q69 G70 S362 Q364D35-L67 HydrophobicContact CB-CD1 3.85Å; L36-L67 HydrophobicContact CD2-CB 3.61Å; L36-L67 HydrophobicContact CG-CB 4.1Å; T39-L67 HydrophobicContact CG2-CD1 4.08Å; Y64-L67 PolarHBondContact O-N 3.34Å; F65-L67 VanDerWaalsContact C-N 3.27Å; F65-L67 PolarHBondContact O-N 3.31Å; L67-Q69 PolarHBondContact O-N 2.86Å; L67-G70 PolarHBondContact O-N 2.96Å; L67-S362 WeakPolarHBondContact CD2-OG 3.18Å; L67-Q364 HydrophobicContact CD2-CB 4.5Å
68L97.8Very high91.8Very high0 Ų034.4 Ų34.40%021%0.211CC..Hα-helixtrans-61.7-33.4-178.7-178.864000111.7L36 Y64 F65 G70 F71 I72 A107 E110 L111L36-L68 HydrophobicContact CD2-CB 4.37Å; Y64-L68 HydrophobicContact CE1-CD2 4.05Å; Y64-L68 HydrophobicContact CE2-CB 4.46Å; Y64-L68 WeakPolarHBondContact O-CB 3.35Å; Y64-L68 PolarHBondContact O-N 2.92Å; F65-L68 PolarHBondContact O-N 3.21Å; L68-G70 PolarHBondContact O-N 3.16Å; L68-F71 WeakPolarHBondContact O-CB 3.5Å; L68-F71 PolarHBondContact O-N 3.46Å; L68-I72 HydrophobicContact CG-CD1 4.29Å; L68-A107 HydrophobicContact CD1-CB 4.3Å; L68-E110 HydrophobicContact CD1-CG 4.3Å; L68-E110 HydrophobicContact CD2-CB 4.34Å; L68-E110 HydrophobicContact CD2-CG 3.76Å; L68-L111 HydrophobicContact CD2-CB 3.88Å; L68-L111 HydrophobicContact CD2-CD1 4.23Å
69Q95.5Very high90.5Very high24 Ų2436.7 Ų36.711%0.11223%0.234CC..G310 helixtrans-58-27173.5-82177.698.200113.2F65 L67 F71 I72 S73 L358 P359 L361F65-Q69 WeakPolarHBondContact O-CB 3.17Å; F65-Q69 WeakPolarHBondContact O-CG 3.4Å; F65-Q69 PolarHBondContact O-N 3.43Å; F65-Q69 PolarHBondContact O-NE2 3.4Å; F65-Q69 VanDerWaalsContact O-NE2 3.1Å; L67-Q69 PolarHBondContact O-N 2.86Å; Q69-F71 PolarHBondContact O-N 3.04Å; Q69-I72 PolarHBondContact O-N 3.45Å; Q69-S73 WeakPolarHBondContact O-CB 3.39Å; Q69-S73 PolarHBondContact O-N 3.05Å; Q69-L358 HydrophobicContact CG-CD1 4.39Å; Q69-P359 PolarHBondContact NE2-O 3.01Å; Q69-L361 HydrophobicContact CB-CD1 3.87Å
70G94.9Very high89.3Confident0 Ų039.4 Ų39.40%024%0.243CC..G310 helixtrans-63.6-21.4173.300000113.2L67 L68 I72 N82 Y370L67-G70 PolarHBondContact O-N 2.96Å; L68-G70 PolarHBondContact O-N 3.16Å; G70-I72 VanDerWaalsContact C-N 3.31Å; G70-N82 PolarHBondContact O-ND2 3.45Å; G70-Y370 VanDerWaalsContact C-OH 3.26Å; G70-Y370 VanDerWaalsContact CA-OH 3.27Å; G70-Y370 WeakPolarHBondContact CA-OH 3.5Å; G70-Y370 WeakPolarHBondContact O-CE1 3.26Å; G70-Y370 PolarHBondContact O-OH 3.18Å
71F94.9Very high88.6Confident0 Ų042.1 Ų42.10%025%0.253CS..G310 helixtrans-83.2-7.3171.6-749.2000113.4F18 F20 L36 L68 Q69 M84 R85 I87 A107 Y370F18-F71 HydrophobicContact CD1-CE2 4.1Å; F18-F71 HydrophobicContact CE1-CE2 4.2Å; F20-F71 HydrophobicContact CE2-CE2 4.09Å; F20-F71 AromaticContact CE2-CZ 3.71Å; F20-F71 HydrophobicContact CE2-CZ 3.71Å; F20-F71 AromaticContact CZ-CE2 3.88Å; F20-F71 HydrophobicContact CZ-CE2 3.88Å; F20-F71 AromaticContact CZ-CZ 4Å; F20-F71 HydrophobicContact CZ-CZ 4Å; L36-F71 HydrophobicContact CD1-CE1 3.83Å; L36-F71 HydrophobicContact CD1-CE2 4.01Å; L36-F71 HydrophobicContact CD1-CZ 3.5Å; L68-F71 WeakPolarHBondContact O-CB 3.5Å; L68-F71 PolarHBondContact O-N 3.46Å; Q69-F71 PolarHBondContact O-N 3.04Å; F71-M84 HydrophobicContact CB-CB 4.17Å; F71-M84 HydrophobicContact CD1-CB 3.74Å; F71-M84 HydrophobicContact CD1-CG 4.34Å; F71-M84 HydrophobicContact CE1-CB 4.27Å; F71-M84 HydrophobicContact CE1-CE 3.97Å; F71-M84 HydrophobicContact CG-CB 3.93Å; F71-M84 HydrophobicContact CZ-CE 4.1Å; F71-M84 CarbonylContact O-C 3.5Å; F71-R85 WeakPolarHBondContact O-CA 3.35Å; F71-R85 WeakPolarHBondContact O-CB 3.47Å; F71-R85 PolarHBondContact O-N 3.42Å; F71-I87 HydrophobicContact CD2-CG2 4.3Å; F71-I87 HydrophobicContact CE2-CG2 4.02Å; F71-A107 HydrophobicContact CB-CB 3.84Å; F71-Y370 AromaticContact CD1-CE1 3.98Å; F71-Y370 HydrophobicContact CD1-CE1 3.98Å; F71-Y370 HydrophobicContact CE1-CE1 4.3Å
72I94.1Very high88.1Confident1 Ų142.7 Ų42.71%0.00526%0.256CS..THydrogen-bonded Turntrans-119-55.7-168.6-62170.2000110L68 Q69 G70 E81 N82 A107 V108 L111L68-I72 HydrophobicContact CG-CD1 4.29Å; Q69-I72 PolarHBondContact O-N 3.45Å; G70-I72 VanDerWaalsContact C-N 3.31Å; I72-E81 WeakPolarHBondContact O-CA 3.43Å; I72-E81 WeakPolarHBondContact O-CB 3.36Å; I72-N82 PolarHBondContact O-N 3.26Å; I72-A107 HydrophobicContact CD1-CB 4.24Å; I72-A107 HydrophobicContact CG1-CB 3.75Å; I72-V108 HydrophobicContact CD1-CG2 4.3Å; I72-V108 HydrophobicContact CG1-CG2 4.23Å; I72-V108 HydrophobicContact CG2-CG2 3.84Å; I72-L111 HydrophobicContact CD1-CB 3.92Å; I72-L111 HydrophobicContact CD1-CD2 3.75Å; I72-L111 HydrophobicContact CD1-CG 4.39Å
73S90.4Very high87.7Confident39 Ų3946 Ų4627%0.27327%0.269SS..SBendtrans-74.4145.8-172.8-59.40000112.1Q69 N82Q69-S73 WeakPolarHBondContact O-CB 3.39Å; Q69-S73 PolarHBondContact O-N 3.05Å; S73-N82 WeakPolarHBondContact O-CB 3.29Å; S73-N82 PolarHBondContact O-ND2 3.17Å
74S85.8Confident87.4Confident34 Ų3442.4 Ų42.424%0.23825%0.247CC..  trans-59138.3164168.90000109.6D76 G77 T78 Q80S74-D76 PolarHBondContact OG-N 2.96Å; S74-D76 PolarHBondContact OG-OD1 3.32Å; S74-G77 PolarHBondContact OG-N 3.35Å; S74-T78 WeakPolarHBondContact CB-O 3.48Å; S74-T78 PolarHBondContact OG-N 3.31Å; S74-T78 VanDerWaalsContact OG-N 3.08Å; S74-T78 PolarHBondContact OG-O 3.16Å; S74-T78 PolarHBondContact OG-OG1 2.88Å; S74-Q80 VanDerWaalsContact CB-O 3.31Å; S74-Q80 WeakPolarHBondContact CB-O 3.4Å
75L83.2Confident87.2Confident32 Ų3242.8 Ų42.817%0.16825%0.249CC..SBendtrans-106.2-18.9175-56.6-179.5000111.8L361 P367 Y370L75-L361 HydrophobicContact CD2-CD1 4.33Å; L75-L361 HydrophobicContact CD2-CD2 3.29Å; L75-L361 HydrophobicContact CD2-CG 4.44Å; L75-P367 HydrophobicContact CB-CG 4.12Å; L75-P367 VanDerWaalsContact O-CG 3.29Å; L75-P367 WeakPolarHBondContact O-CG 3.47Å; L75-Y370 HydrophobicContact CD1-CD1 3.77Å; L75-Y370 HydrophobicContact CD1-CD2 3.29Å; L75-Y370 HydrophobicContact CD1-CE1 4.3Å; L75-Y370 HydrophobicContact CD1-CE2 3.88Å; L75-Y370 HydrophobicContact CD1-CG 3.22Å
76D72.8Confident87Confident112 Ų11247 Ų4760%0.59927%0.267SS*.SBendtrans-98.29-175.360.2-7.5000113.2S74 T78S74-D76 PolarHBondContact OG-N 2.96Å; S74-D76 PolarHBondContact OG-OD1 3.32Å; D76-T78 PolarHBondContact O-N 2.97Å; D76-T78 WeakPolarHBondContact OD1-CB 3.34Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.37Å; D76-T78 PolarHBondContact OD1-N 3.38Å; D76-T78 PolarHBondContact OD1-OG1 3.38Å; D76-T78 WeakPolarHBondContact OD2-CG2 3.27Å
77G66.9Low86.7Confident78 Ų7847.6 Ų47.680%0.80427%0.269SS*.SBendtrans74.69-179.300000113.9S74S74-G77 PolarHBondContact OG-N 3.35Å
78T70.7Confident86.5Confident62 Ų6249.2 Ų49.238%0.3828%0.276SS..SBendtrans-78.7167.9171.268.60000111.1S74 D76 Q80S74-T78 WeakPolarHBondContact CB-O 3.48Å; S74-T78 PolarHBondContact OG-N 3.31Å; S74-T78 VanDerWaalsContact OG-N 3.08Å; S74-T78 PolarHBondContact OG-O 3.16Å; S74-T78 PolarHBondContact OG-OG1 2.88Å; D76-T78 PolarHBondContact O-N 2.97Å; D76-T78 WeakPolarHBondContact OD1-CB 3.34Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.37Å; D76-T78 PolarHBondContact OD1-N 3.38Å; D76-T78 PolarHBondContact OD1-OG1 3.38Å; D76-T78 WeakPolarHBondContact OD2-CG2 3.27Å; T78-Q80 VanDerWaalsContact C-N 3.27Å; T78-Q80 PolarHBondContact OG1-N 2.97Å
79T69.6Low86.4Confident150 Ų15053 Ų5392%0.9230%0.296SS*.SBendtrans-86-0.4171.655.10000112.8
80Q74.3Confident86.4Confident149 Ų14951.9 Ų51.970%0.69629%0.291SS*.SBendtrans-83.3132.8-177.7-65.5-171.43.400110.4S74 T78S74-Q80 VanDerWaalsContact CB-O 3.31Å; S74-Q80 WeakPolarHBondContact CB-O 3.4Å; T78-Q80 VanDerWaalsContact C-N 3.27Å; T78-Q80 PolarHBondContact OG1-N 2.97Å
81E82.1Confident86.5Confident70 Ų7054.2 Ų54.233%0.32730%0.301SS..PPolyproline II helixtrans-66.5156.4176.3-67.1-177.7148.200111.9I72 K83 R85 R164I72-E81 WeakPolarHBondContact O-CA 3.43Å; I72-E81 WeakPolarHBondContact O-CB 3.36Å; E81-K83 PolarHBondContact O-N 3.06Å; E81-R85 IonicContact OE1-CZ 3.02Å; E81-R85 IonicContact OE1-NH1 3.41Å; E81-R85 PolarHBondContact OE1-NH1 3.43Å; E81-R85 WeakPolarHBondContact OE2-CD 3.43Å; E81-R85 IonicContact OE2-CZ 2.69Å; E81-R85 IonicContact OE2-NE 3.33Å; E81-R85 IonicContact OE2-NH1 2.68Å; E81-R85 PolarHBondContact OE2-NH1 2.88Å; E81-R164 IonicContact OE1-CZ 3.1Å; E81-R164 IonicContact OE1-NE 2.91Å; E81-R164 PolarHBondContact OE1-NE 2.86Å; E81-R164 IonicContact OE1-NH2 3.29Å; E81-R164 PolarHBondContact OE1-NH2 2.91Å
82N88.4Confident86.6Confident17 Ų1754.2 Ų54.29%0.09130%0.301CS..PPolyproline II helixtrans-62.5138.7-174.7-159.5-70000111.7G70 I72 S73 M84 R85G70-N82 PolarHBondContact O-ND2 3.45Å; I72-N82 PolarHBondContact O-N 3.26Å; S73-N82 WeakPolarHBondContact O-CB 3.29Å; S73-N82 PolarHBondContact O-ND2 3.17Å; N82-M84 PolarHBondContact O-N 2.87Å; N82-M84 WeakPolarHBondContact OD1-CB 3.44Å; N82-M84 VanDerWaalsContact OD1-CG 3.26Å; N82-M84 WeakPolarHBondContact OD1-CG 3.4Å; N82-M84 PolarHBondContact OD1-N 3.48Å; N82-R85 WeakPolarHBondContact O-CB 3.42Å; N82-R85 PolarHBondContact O-N 2.92Å
83K89.1Confident86.7Confident102 Ų10254.5 Ų54.544%0.44330%0.303SS..THydrogen-bonded Turntrans-53.4-22.2174.366.9-179.3174.4177.70113.7E81 R85 Y370 F373 L375E81-K83 PolarHBondContact O-N 3.06Å; K83-R85 VanDerWaalsContact C-N 3.34Å; K83-Y370 WeakPolarHBondContact CE-O 3.25Å; K83-Y370 PolarHBondContact NZ-O 3.2Å; K83-F373 WeakPolarHBondContact CE-O 3.34Å; K83-F373 PolarHBondContact NZ-O 3.5Å; K83-L375 HydrophobicContact CB-CD1 4Å; K83-L375 HydrophobicContact CD-CD1 4.34Å; K83-L375 HydrophobicContact CG-CD1 4.19Å
84M92.5Very high87Confident0 Ų053.1 Ų53.10%029%0.292CS..THydrogen-bonded Turntrans-79.4-8.5179.1-61.3-62.9-76.200114.1F71 N82 F86 I87 Y370 F373 L375F71-M84 HydrophobicContact CB-CB 4.17Å; F71-M84 HydrophobicContact CD1-CB 3.74Å; F71-M84 HydrophobicContact CD1-CG 4.34Å; F71-M84 HydrophobicContact CE1-CB 4.27Å; F71-M84 HydrophobicContact CE1-CE 3.97Å; F71-M84 HydrophobicContact CG-CB 3.93Å; F71-M84 HydrophobicContact CZ-CE 4.1Å; F71-M84 CarbonylContact O-C 3.5Å; N82-M84 PolarHBondContact O-N 2.87Å; N82-M84 WeakPolarHBondContact OD1-CB 3.44Å; N82-M84 VanDerWaalsContact OD1-CG 3.26Å; N82-M84 WeakPolarHBondContact OD1-CG 3.4Å; N82-M84 PolarHBondContact OD1-N 3.48Å; M84-F86 PolarHBondContact O-N 3.37Å; M84-F86 VanDerWaalsContact O-N 3.12Å; M84-I87 HydrophobicContact CE-CD1 3.45Å; M84-I87 VanDerWaalsContact CE-CD1 3.45Å; M84-I87 HydrophobicContact CE-CG2 4.12Å; M84-I87 WeakPolarHBondContact O-CG2 3.46Å; M84-I87 PolarHBondContact O-N 2.99Å; M84-I87 VanDerWaalsContact O-N 3.11Å; M84-I87 HydrophobicContact SD-CD1 3.96Å; M84-Y370 HydrophobicContact CG-CD1 4.01Å; M84-Y370 HydrophobicContact CG-CE1 3.99Å; M84-F373 HydrophobicContact CE-CB 4.04Å; M84-F373 HydrophobicContact CE-CD1 3.35Å; M84-F373 HydrophobicContact CE-CD2 4.14Å; M84-F373 HydrophobicContact CE-CE1 3.73Å; M84-F373 HydrophobicContact CE-CE2 4.5Å; M84-F373 HydrophobicContact CE-CG 3.59Å; M84-F373 HydrophobicContact CE-CZ 4.3Å; M84-F373 HydrophobicContact SD-CB 3.57Å; M84-F373 VanDerWaalsContact SD-CB 3.57Å; M84-F373 HydrophobicContact SD-CD1 4.1Å; M84-F373 HydrophobicContact SD-CD2 4.33Å; M84-F373 HydrophobicContact SD-CG 3.77Å; M84-L375 HydrophobicContact SD-CD2 3.89Å
85R94.1Very high87.4Confident8 Ų851.5 Ų51.53%0.0328%0.281CS..THydrogen-bonded Turntrans-51.9-41.6-174.6179.6175172.6-1780.9113.1F71 E81 N82 K83 D106 A107 R164F71-R85 WeakPolarHBondContact O-CA 3.35Å; F71-R85 WeakPolarHBondContact O-CB 3.47Å; F71-R85 PolarHBondContact O-N 3.42Å; E81-R85 IonicContact OE1-CZ 3.02Å; E81-R85 IonicContact OE1-NH1 3.41Å; E81-R85 PolarHBondContact OE1-NH1 3.43Å; E81-R85 WeakPolarHBondContact OE2-CD 3.43Å; E81-R85 IonicContact OE2-CZ 2.69Å; E81-R85 IonicContact OE2-NE 3.33Å; E81-R85 IonicContact OE2-NH1 2.68Å; E81-R85 PolarHBondContact OE2-NH1 2.88Å; N82-R85 WeakPolarHBondContact O-CB 3.42Å; N82-R85 PolarHBondContact O-N 2.92Å; K83-R85 VanDerWaalsContact C-N 3.34Å; R85-D106 WeakPolarHBondContact CG-OD1 3.4Å; R85-D106 IonicContact CZ-OD1 3.79Å; R85-D106 IonicContact CZ-OD2 3.71Å; R85-D106 IonicContact NE-OD1 2.8Å; R85-D106 PolarHBondContact NE-OD1 2.77Å; R85-D106 IonicContact NE-OD2 2.72Å; R85-D106 PolarHBondContact NE-OD2 3.22Å; R85-D106 IonicContact NH2-OD1 2.81Å; R85-D106 PolarHBondContact NH2-OD1 3.39Å; R85-D106 IonicContact NH2-OD2 2.73Å; R85-D106 PolarHBondContact NH2-OD2 3.21Å; R85-A107 WeakPolarHBondContact O-CB 3.29Å; R85-A107 PolarHBondContact O-N 3.32Å; R85-R164 PolarHBondContact NH1-O 2.96Å; R85-R164 PolarHBondContact NH2-O 3.22Å
86F93.8Very high87.8Confident90 Ų9050.3 Ų50.340%0.39528%0.275SS..THydrogen-bonded Turntrans-103.918.9-174-49.1-71.1000113.2M84 Q105 D106 I166M84-F86 PolarHBondContact O-N 3.37Å; M84-F86 VanDerWaalsContact O-N 3.12Å; F86-Q105 WeakPolarHBondContact CA-O 3.42Å; F86-Q105 WeakPolarHBondContact CD1-O 3.46Å; F86-Q105 VanDerWaalsContact O-CG 3.25Å; F86-Q105 WeakPolarHBondContact O-CG 3.31Å; F86-Q105 PolarHBondContact O-NE2 2.87Å; F86-D106 HydrophobicContact CD1-CB 4.35Å; F86-D106 HydrophobicContact CE1-CB 4.43Å; F86-I166 HydrophobicContact CE1-CD1 3.58Å; F86-I166 HydrophobicContact CE1-CG1 4.48Å; F86-I166 HydrophobicContact CE2-CD1 4.47Å; F86-I166 HydrophobicContact CZ-CD1 3.42Å; F86-I166 VanDerWaalsContact CZ-CD1 3.42Å; F86-I166 HydrophobicContact CZ-CG1 4.5Å
87I93.1Very high88.6Confident28 Ų2847 Ų4714%0.14426%0.256CS..SBendtrans-76.5-29.7-177-161.4175.1000113.3F20 V23 F71 M84 L375F20-I87 HydrophobicContact CB-CD1 4.17Å; F20-I87 HydrophobicContact CD1-CD1 3.68Å; F20-I87 HydrophobicContact CD1-CG1 3.94Å; F20-I87 HydrophobicContact CD1-CG2 4.47Å; F20-I87 HydrophobicContact CD2-CD1 4.26Å; F20-I87 HydrophobicContact CE1-CD1 4.12Å; F20-I87 HydrophobicContact CE1-CG1 4.11Å; F20-I87 HydrophobicContact CE1-CG2 3.84Å; F20-I87 HydrophobicContact CG-CD1 3.76Å; F20-I87 HydrophobicContact CZ-CG2 3.91Å; V23-I87 HydrophobicContact CG1-CD1 3.85Å; F71-I87 HydrophobicContact CD2-CG2 4.3Å; F71-I87 HydrophobicContact CE2-CG2 4.02Å; M84-I87 HydrophobicContact CE-CD1 3.45Å; M84-I87 VanDerWaalsContact CE-CD1 3.45Å; M84-I87 HydrophobicContact CE-CG2 4.12Å; M84-I87 WeakPolarHBondContact O-CG2 3.46Å; M84-I87 PolarHBondContact O-N 2.99Å; M84-I87 VanDerWaalsContact O-N 3.11Å; M84-I87 HydrophobicContact SD-CD1 3.96Å; I87-L375 HydrophobicContact CD1-CD2 3.73Å; I87-L375 HydrophobicContact CG1-CD2 4.19Å
88Q93.6Very high89.5Confident38 Ų3845 Ų4518%0.17824%0.235CC..SBendtrans-120.6133.8-169.9178.361.163.400111.2V16 F20 F90 Q105V16-Q88 HydrophobicContact CG1-CG 3.8Å; F20-Q88 HydrophobicContact CE1-CB 4.2Å; F20-Q88 HydrophobicContact CZ-CB 4.44Å; Q88-F90 HydrophobicContact CB-CD2 4.39Å; Q88-F90 HydrophobicContact CB-CE1 4.46Å; Q88-F90 HydrophobicContact CB-CE2 3.63Å; Q88-F90 HydrophobicContact CB-CZ 3.68Å; Q88-F90 HydrophobicContact CG-CD1 4.14Å; Q88-F90 HydrophobicContact CG-CD2 4.12Å; Q88-F90 HydrophobicContact CG-CE1 3.63Å; Q88-F90 HydrophobicContact CG-CE2 3.61Å; Q88-F90 HydrophobicContact CG-CG 4.38Å; Q88-F90 HydrophobicContact CG-CZ 3.34Å; Q88-F90 WeakPolarHBondContact O-CD2 3.42Å; Q88-F90 WeakPolarHBondContact O-CE2 3.42Å; Q88-Q105 CarbonylContact O-C 3.57Å; Q88-Q105 WeakPolarHBondContact O-CA 3.2Å
89N94.7Very high90.2Very high78 Ų7846.9 Ų46.942%0.41724%0.243SC..  trans-85.6127.7169.8-168.733.1000110.8Q104 Q105N89-Q104 PolarHBondContact OD1-O 2.64Å; N89-Q105 HydrophobicContact CB-CB 4.3Å; N89-Q105 HydrophobicContact CB-CG 4.39Å; N89-Q105 PolarHBondContact OD1-N 3.32Å
90F96.3Very high91.2Very high1 Ų144.7 Ų44.70%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-116.1139.9178.5-60.5-86.6000109.6V16 F18 Q88 A103 Q104 A107 F109 E110V16-F90 HydrophobicContact CG1-CE1 4.21Å; V16-F90 HydrophobicContact CG2-CD1 3.95Å; V16-F90 HydrophobicContact CG2-CE1 4.19Å; F18-F90 HydrophobicContact CE1-CE1 4.18Å; F18-F90 HydrophobicContact CE1-CZ 4.14Å; F18-F90 HydrophobicContact CZ-CE1 4.02Å; F18-F90 HydrophobicContact CZ-CZ 4.41Å; Q88-F90 HydrophobicContact CB-CD2 4.39Å; Q88-F90 HydrophobicContact CB-CE1 4.46Å; Q88-F90 HydrophobicContact CB-CE2 3.63Å; Q88-F90 HydrophobicContact CB-CZ 3.68Å; Q88-F90 HydrophobicContact CG-CD1 4.14Å; Q88-F90 HydrophobicContact CG-CD2 4.12Å; Q88-F90 HydrophobicContact CG-CE1 3.63Å; Q88-F90 HydrophobicContact CG-CE2 3.61Å; Q88-F90 HydrophobicContact CG-CG 4.38Å; Q88-F90 HydrophobicContact CG-CZ 3.34Å; Q88-F90 WeakPolarHBondContact O-CD2 3.42Å; Q88-F90 WeakPolarHBondContact O-CE2 3.42Å; F90-A103 CarbonylContact O-C 3.48Å; F90-A103 WeakPolarHBondContact O-CA 3.18Å; F90-A103 WeakPolarHBondContact O-CB 3.4Å; F90-Q104 PolarHBondContact N-O 3.18Å; F90-Q104 PolarHBondContact O-N 3.19Å; F90-A107 HydrophobicContact CE2-CB 4.49Å; F90-F109 HydrophobicContact CB-CD1 4.09Å; F90-F109 HydrophobicContact CB-CE1 4.38Å; F90-F109 WeakPolarHBondContact O-CE1 3.47Å; F90-E110 HydrophobicContact CB-CB 4.21Å; F90-E110 HydrophobicContact CD1-CB 3.67Å; F90-E110 HydrophobicContact CD1-CG 3.67Å; F90-E110 WeakPolarHBondContact CD1-OE2 3.44Å; F90-E110 HydrophobicContact CD2-CB 3.66Å; F90-E110 HydrophobicContact CD2-CG 4.49Å; F90-E110 HydrophobicContact CE1-CB 3.81Å; F90-E110 HydrophobicContact CE1-CG 3.56Å; F90-E110 HydrophobicContact CE2-CB 3.79Å; F90-E110 HydrophobicContact CE2-CG 4.4Å; F90-E110 HydrophobicContact CG-CB 3.59Å; F90-E110 HydrophobicContact CG-CG 4.14Å; F90-E110 HydrophobicContact CZ-CB 3.85Å; F90-E110 HydrophobicContact CZ-CG 3.93Å
91K96.4Very high92.1Very high49 Ų4939.7 Ų39.721%0.21321%0.205CC..EExtended strand (participates in β ladder)trans-127.7127.3-176.1-176.1-176.2-68.2-174.70109.5T13 A14 P101 S102 A103 V391T13-K91 WeakPolarHBondContact CA-O 3.26Å; T13-K91 WeakPolarHBondContact CB-O 3.06Å; T13-K91 PolarHBondContact OG1-O 2.89Å; A14-K91 HydrophobicContact CB-CB 4.01Å; A14-K91 PolarHBondContact N-O 3.37Å; A14-K91 VanDerWaalsContact N-O 3.12Å; K91-P101 HydrophobicContact CD-CB 3.93Å; K91-P101 HydrophobicContact CD-CG 3.87Å; K91-P101 HydrophobicContact CG-CB 3.6Å; K91-P101 HydrophobicContact CG-CG 4.11Å; K91-S102 CarbonylContact C-O 3.55Å; K91-S102 WeakPolarHBondContact CA-O 3.43Å; K91-A103 HydrophobicContact CB-CB 4.03Å; K91-A103 HydrophobicContact CG-CB 4.16Å; K91-V391 HydrophobicContact CD-CG2 3.5Å; K91-V391 VanDerWaalsContact CD-CG2 3.5Å; K91-V391 HydrophobicContact CG-CG2 3.88Å
92W97.2Very high92.6Very high1 Ų137.6 Ų37.60%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-136.7142.5-176.1-76.792000111.6K11 A12 T13 L44 P101 S102 F109 E110 M114 N117K11-W92 HydrophobicContact CB-CE3 3.67Å; K11-W92 HydrophobicContact CB-CZ3 3.94Å; A12-W92 CarbonylContact O-C 3.51Å; A12-W92 VanDerWaalsContact O-CA 3.28Å; A12-W92 WeakPolarHBondContact O-CA 3.38Å; T13-W92 VanDerWaalsContact CB-CD2 3.49Å; T13-W92 HydrophobicContact CG2-CD2 4.49Å; T13-W92 HydrophobicContact CG2-CE3 4.37Å; T13-W92 HydrophobicContact CG2-CH2 3.71Å; T13-W92 HydrophobicContact CG2-CZ2 3.82Å; T13-W92 HydrophobicContact CG2-CZ3 3.99Å; L44-W92 HydrophobicContact CD2-CH2 4.07Å; W92-P101 CarbonylContact O-C 3.6Å; W92-P101 WeakPolarHBondContact O-CA 3.31Å; W92-S102 PolarHBondContact N-O 3.16Å; W92-S102 PolarHBondContact O-N 3.48Å; W92-F109 HydrophobicContact CB-CZ 4.33Å; W92-F109 AromaticContact CD1-CE1 3.84Å; W92-E110 PolarHBondContact NE1-OE2 3.1Å; W92-M114 HydrophobicContact CH2-CB 4.44Å; W92-M114 HydrophobicContact CH2-CE 3.8Å; W92-M114 HydrophobicContact CH2-SD 3.74Å; W92-M114 HydrophobicContact CZ2-CB 4.13Å; W92-M114 HydrophobicContact CZ2-CE 3.73Å; W92-M114 HydrophobicContact CZ2-SD 4.1Å; W92-N117 HydrophobicContact CZ3-CB 4.4Å
93T96.3Very high92.9Very high7 Ų738.8 Ų38.84%0.04321%0.21CC..  trans-81.7168.6163.267.20000110.7K11 A12 P101 V391K11-T93 WeakPolarHBondContact CB-O 3.18Å; K11-T93 WeakPolarHBondContact CE-O 3.41Å; K11-T93 WeakPolarHBondContact CG-O 3.37Å; K11-T93 PolarHBondContact NZ-O 2.93Å; A12-T93 HydrophobicContact CB-CG2 4.16Å; A12-T93 PolarHBondContact N-OG1 3.26Å; A12-T93 PolarHBondContact O-N 3Å; T93-P101 HydrophobicContact CG2-CB 4.26Å; T93-V391 HydrophobicContact CG2-CB 4.3Å; T93-V391 HydrophobicContact CG2-CG1 3.8Å
94D95.4Very high93.1Very high9 Ų934.9 Ų34.95%0.04819%0.194CC..  trans-122.5150.7179.2-61.5-90000111.9K11 L96 Q97 R173 D174K11-D94 IonicContact NZ-OD1 3.43Å; K11-D94 PolarHBondContact NZ-OD1 3.02Å; D94-L96 PolarHBondContact O-N 3.48Å; D94-Q97 HydrophobicContact CB-CB 4.07Å; D94-Q97 HydrophobicContact CB-CG 3.97Å; D94-Q97 PolarHBondContact O-N 2.98Å; D94-Q97 VanDerWaalsContact O-N 3.11Å; D94-R173 VanDerWaalsContact CG-CD 3.46Å; D94-R173 WeakPolarHBondContact OD2-CD 3.25Å; D94-R173 IonicContact OD2-CZ 2.71Å; D94-R173 IonicContact OD2-NE 3.77Å; D94-R173 IonicContact OD2-NH1 3.25Å; D94-R173 PolarHBondContact OD2-NH1 3.23Å; D94-D174 WeakPolarHBondContact CA-OD2 3.4Å; D94-D174 HydrophobicContact CB-CB 4.47Å; D94-D174 WeakPolarHBondContact OD1-CB 3.3Å; D94-D174 PolarHBondContact OD1-N 3.19Å
95T94.9Very high93.3Very high1 Ų140.2 Ų40.21%0.00622%0.219CC..THydrogen-bonded Turntrans-60.1-25.2-172.367.60000113.7P9 K11 F116 V120 D174 Y183 P297P9-T95 WeakPolarHBondContact CD-O 2.77Å; P9-T95 WeakPolarHBondContact O-CG2 3.29Å; K11-T95 HydrophobicContact CG-CG2 4.11Å; T95-F116 HydrophobicContact CG2-CE1 3.9Å; T95-V120 HydrophobicContact CG2-CG2 4.33Å; T95-D174 WeakPolarHBondContact CB-OD1 2.98Å; T95-D174 WeakPolarHBondContact CG2-OD1 3.4Å; T95-D174 WeakPolarHBondContact CG2-OD2 3.43Å; T95-D174 VanDerWaalsContact N-CG 3.32Å; T95-D174 PolarHBondContact N-OD1 2.91Å; T95-D174 PolarHBondContact N-OD2 3.07Å; T95-D174 PolarHBondContact OG1-OD1 2.97Å; T95-Y183 WeakPolarHBondContact CB-OH 3.39Å; T95-Y183 WeakPolarHBondContact CG2-OH 3.27Å; T95-Y183 PolarHBondContact OG1-OH 3.26Å; T95-P297 WeakPolarHBondContact O-CB 3.11Å
96L91.8Very high93.3Very high6 Ų640.1 Ų40.13%0.03122%0.219CC..THydrogen-bonded Turntrans-104.5-12.1179.3-55.9-175.1000114.7D94 V179 L230 C234 W238 P297D94-L96 PolarHBondContact O-N 3.48Å; L96-V179 HydrophobicContact CD1-CG1 4.47Å; L96-V179 HydrophobicContact CD1-CG2 4.02Å; L96-L230 HydrophobicContact CD1-CD1 4.32Å; L96-C234 HydrophobicContact CB-CB 4.14Å; L96-C234 WeakPolarHBondContact O-CB 3.45Å; L96-W238 HydrophobicContact CD1-CE3 4.07Å; L96-W238 HydrophobicContact CD1-CZ3 4.05Å; L96-W238 HydrophobicContact CD2-CE3 3.82Å; L96-W238 HydrophobicContact CD2-CZ3 4.28Å; L96-W238 HydrophobicContact CG-CE3 4.49Å; L96-P297 HydrophobicContact CD2-CG 4.19Å
97Q89.6Confident93.5Very high44 Ų4435.9 Ų35.921%0.20620%0.2CC..SBendtrans-101.810.3-171-59.8-62-31.100113.5D94 N99 I100 G172D94-Q97 HydrophobicContact CB-CB 4.07Å; D94-Q97 HydrophobicContact CB-CG 3.97Å; D94-Q97 PolarHBondContact O-N 2.98Å; D94-Q97 VanDerWaalsContact O-N 3.11Å; Q97-N99 PolarHBondContact O-N 2.95Å; Q97-I100 PolarHBondContact O-N 3.09Å; Q97-G172 PolarHBondContact NE2-O 3.31Å
98G85.3Confident93.7Very high35 Ų3534.5 Ų34.536%0.36119%0.193SC..THydrogen-bonded Turntrans57.8-123.4-178.500000111.7
99N86.3Confident93.9Very high102 Ų10233.1 Ų33.155%0.54519%0.187SC..THydrogen-bonded Turntrans-96.710.3-173.7-59.4-8.2000113.2Q97 P101 P393Q97-N99 PolarHBondContact O-N 2.95Å; N99-P101 WeakPolarHBondContact O-CD 3.47Å; N99-P393 VanDerWaalsContact OD1-CG 3.24Å; N99-P393 WeakPolarHBondContact OD1-CG 3.28Å
100I89.6Confident94Very high103 Ų10329.4 Ų29.453%0.52817%0.167SC..  trans-87.4105.5-179.5-55.6174.7000108.3Q97 R173Q97-I100 PolarHBondContact O-N 3.09Å; I100-R173 PolarHBondContact O-NH1 2.92Å
101P93.1Very high94.1Very high44 Ų4429.4 Ų29.429%0.28617%0.167SC..  trans-79.1161179.534.5-35.1000112.1K91 W92 T93 N99 V391K91-P101 HydrophobicContact CD-CB 3.93Å; K91-P101 HydrophobicContact CD-CG 3.87Å; K91-P101 HydrophobicContact CG-CB 3.6Å; K91-P101 HydrophobicContact CG-CG 4.11Å; W92-P101 CarbonylContact O-C 3.6Å; W92-P101 WeakPolarHBondContact O-CA 3.31Å; T93-P101 HydrophobicContact CG2-CB 4.26Å; N99-P101 WeakPolarHBondContact O-CD 3.47Å; P101-V391 HydrophobicContact CB-CG2 4.16Å; P101-V391 HydrophobicContact CG-CG2 4.32Å
102S93.1Very high94.2Very high26 Ų2627.1 Ų27.118%0.18216%0.157CC..EExtended strand (participates in β ladder)trans-117.8153.1161.6-175.50000109.1K91 W92K91-S102 CarbonylContact C-O 3.55Å; K91-S102 WeakPolarHBondContact CA-O 3.43Å; W92-S102 PolarHBondContact N-O 3.16Å; W92-S102 PolarHBondContact O-N 3.48Å
103A94.2Very high94.2Very high43 Ų4327 Ų2736%0.35516%0.157SC..EExtended strand (participates in β ladder)trans-133.4139.818000000111.8F90 K91F90-A103 CarbonylContact O-C 3.48Å; F90-A103 WeakPolarHBondContact O-CA 3.18Å; F90-A103 WeakPolarHBondContact O-CB 3.4Å; K91-A103 HydrophobicContact CB-CB 4.03Å; K91-A103 HydrophobicContact CG-CB 4.16Å
104Q94.6Very high94.4Very high20 Ų2026.7 Ų26.79%0.09316%0.155CC..EExtended strand (participates in β ladder)trans-137.9139.7170.6-56.3-169.43.100110N89 F90 D106 F109 T167N89-Q104 PolarHBondContact OD1-O 2.64Å; F90-Q104 PolarHBondContact N-O 3.18Å; F90-Q104 PolarHBondContact O-N 3.19Å; Q104-D106 HydrophobicContact CB-CB 4.38Å; Q104-D106 PolarHBondContact O-N 3.47Å; Q104-F109 HydrophobicContact CB-CB 3.9Å; Q104-F109 HydrophobicContact CB-CD1 3.69Å; Q104-F109 HydrophobicContact CB-CD2 4.17Å; Q104-F109 HydrophobicContact CB-CE1 4.23Å; Q104-F109 HydrophobicContact CB-CG 3.66Å; Q104-F109 HydrophobicContact CG-CB 4.44Å; Q104-F109 HydrophobicContact CG-CD1 4.15Å; Q104-F109 HydrophobicContact CG-CD2 3.87Å; Q104-F109 HydrophobicContact CG-CE1 4.36Å; Q104-F109 HydrophobicContact CG-CE2 4.11Å; Q104-F109 HydrophobicContact CG-CG 3.9Å; Q104-F109 HydrophobicContact CG-CZ 4.34Å; Q104-T167 PolarHBondContact NE2-O 3.2Å
105Q95.4Very high94.5Very high112 Ų11226.3 Ų26.352%0.52315%0.153SC..SBendtrans-84.764.7173.6-169.2176.2-8.700110.5F86 Q88 N89F86-Q105 WeakPolarHBondContact CA-O 3.42Å; F86-Q105 WeakPolarHBondContact CD1-O 3.46Å; F86-Q105 VanDerWaalsContact O-CG 3.25Å; F86-Q105 WeakPolarHBondContact O-CG 3.31Å; F86-Q105 PolarHBondContact O-NE2 2.87Å; Q88-Q105 CarbonylContact O-C 3.57Å; Q88-Q105 WeakPolarHBondContact O-CA 3.2Å; N89-Q105 HydrophobicContact CB-CB 4.3Å; N89-Q105 HydrophobicContact CB-CG 4.39Å; N89-Q105 PolarHBondContact OD1-N 3.32Å
106D95.9Very high94.7Very high5 Ų526.3 Ų26.33%0.02715%0.152CC..  trans-151.6122.4-172.8-173.4-11.4000111.1R85 F86 Q104 V108 F109 E110R85-D106 WeakPolarHBondContact CG-OD1 3.4Å; R85-D106 IonicContact CZ-OD1 3.79Å; R85-D106 IonicContact CZ-OD2 3.71Å; R85-D106 IonicContact NE-OD1 2.8Å; R85-D106 PolarHBondContact NE-OD1 2.77Å; R85-D106 IonicContact NE-OD2 2.72Å; R85-D106 PolarHBondContact NE-OD2 3.22Å; R85-D106 IonicContact NH2-OD1 2.81Å; R85-D106 PolarHBondContact NH2-OD1 3.39Å; R85-D106 IonicContact NH2-OD2 2.73Å; R85-D106 PolarHBondContact NH2-OD2 3.21Å; F86-D106 HydrophobicContact CD1-CB 4.35Å; F86-D106 HydrophobicContact CE1-CB 4.43Å; Q104-D106 HydrophobicContact CB-CB 4.38Å; Q104-D106 PolarHBondContact O-N 3.47Å; D106-V108 VanDerWaalsContact C-N 3.26Å; D106-V108 PolarHBondContact O-N 3.24Å; D106-V108 WeakPolarHBondContact OD1-CB 3.47Å; D106-V108 PolarHBondContact OD1-N 3.45Å; D106-F109 HydrophobicContact CB-CB 4.02Å; D106-F109 WeakPolarHBondContact O-CB 3.47Å; D106-F109 PolarHBondContact O-N 3.22Å; D106-F109 VanDerWaalsContact O-N 3.11Å; D106-E110 PolarHBondContact O-N 2.99Å
107A97.1Very high95Very high1 Ų126 Ų261%0.00815%0.151CC..Hα-helixtrans-66-26.2176.900000113.2L68 F71 I72 R85 F90 F109 E110 L111L68-A107 HydrophobicContact CD1-CB 4.3Å; F71-A107 HydrophobicContact CB-CB 3.84Å; I72-A107 HydrophobicContact CD1-CB 4.24Å; I72-A107 HydrophobicContact CG1-CB 3.75Å; R85-A107 WeakPolarHBondContact O-CB 3.29Å; R85-A107 PolarHBondContact O-N 3.32Å; F90-A107 HydrophobicContact CE2-CB 4.49Å; A107-F109 VanDerWaalsContact C-N 3.32Å; A107-E110 PolarHBondContact O-N 3.35Å; A107-L111 WeakPolarHBondContact O-CB 3.07Å; A107-L111 PolarHBondContact O-N 3.36Å
108V97.1Very high95.4Very high0 Ų024.1 Ų24.10%014%0.142CC..Hα-helixtrans-66.9-37.7171.8178.20000110.1I72 D106 E110 L111 V112 R164 L165I72-V108 HydrophobicContact CD1-CG2 4.3Å; I72-V108 HydrophobicContact CG1-CG2 4.23Å; I72-V108 HydrophobicContact CG2-CG2 3.84Å; D106-V108 VanDerWaalsContact C-N 3.26Å; D106-V108 PolarHBondContact O-N 3.24Å; D106-V108 WeakPolarHBondContact OD1-CB 3.47Å; D106-V108 PolarHBondContact OD1-N 3.45Å; V108-E110 VanDerWaalsContact C-N 3.35Å; V108-E110 PolarHBondContact O-N 3.15Å; V108-L111 WeakPolarHBondContact O-CB 3.21Å; V108-L111 PolarHBondContact O-N 3.35Å; V108-V112 HydrophobicContact CG1-CG1 4.34Å; V108-V112 WeakPolarHBondContact O-CG1 3.25Å; V108-V112 WeakPolarHBondContact O-CG2 3.41Å; V108-V112 PolarHBondContact O-N 3.23Å; V108-R164 HydrophobicContact CG1-CB 4.24Å; V108-L165 HydrophobicContact CB-CD2 4.15Å; V108-L165 HydrophobicContact CG1-CD2 3.81Å; V108-L165 HydrophobicContact CG1-CG 4.45Å
109F97.6Very high96Very high9 Ų922.4 Ų22.44%0.03913%0.125CC..Hα-helixtrans-62.5-40.4174.9173.6-104.3000112.1F90 W92 Q104 D106 A107 V112 S113 L165 L175F90-F109 HydrophobicContact CB-CD1 4.09Å; F90-F109 HydrophobicContact CB-CE1 4.38Å; F90-F109 WeakPolarHBondContact O-CE1 3.47Å; W92-F109 HydrophobicContact CB-CZ 4.33Å; W92-F109 AromaticContact CD1-CE1 3.84Å; Q104-F109 HydrophobicContact CB-CB 3.9Å; Q104-F109 HydrophobicContact CB-CD1 3.69Å; Q104-F109 HydrophobicContact CB-CD2 4.17Å; Q104-F109 HydrophobicContact CB-CE1 4.23Å; Q104-F109 HydrophobicContact CB-CG 3.66Å; Q104-F109 HydrophobicContact CG-CB 4.44Å; Q104-F109 HydrophobicContact CG-CD1 4.15Å; Q104-F109 HydrophobicContact CG-CD2 3.87Å; Q104-F109 HydrophobicContact CG-CE1 4.36Å; Q104-F109 HydrophobicContact CG-CE2 4.11Å; Q104-F109 HydrophobicContact CG-CG 3.9Å; Q104-F109 HydrophobicContact CG-CZ 4.34Å; D106-F109 HydrophobicContact CB-CB 4.02Å; D106-F109 WeakPolarHBondContact O-CB 3.47Å; D106-F109 PolarHBondContact O-N 3.22Å; D106-F109 VanDerWaalsContact O-N 3.11Å; A107-F109 VanDerWaalsContact C-N 3.32Å; F109-V112 WeakPolarHBondContact O-CG2 3.49Å; F109-S113 WeakPolarHBondContact O-CB 3.32Å; F109-S113 PolarHBondContact O-N 3.2Å; F109-S113 PolarHBondContact O-OG 3.39Å; F109-L165 HydrophobicContact CB-CD2 3.92Å; F109-L175 HydrophobicContact CD2-CD1 3.75Å; F109-L175 HydrophobicContact CE2-CD1 3.73Å
110E97.9Very high96.6Very high0 Ų017.7 Ų17.70%010%0.1CC..Hα-helixtrans-63.1-47.1172.1173.162.7-170.900111.9R40 Y64 L68 F90 W92 D106 A107 V108 V112 S113 M114R40-E110 IonicContact CZ-OE1 2.68Å; R40-E110 IonicContact CZ-OE2 3.05Å; R40-E110 IonicContact NE-OE1 2.61Å; R40-E110 PolarHBondContact NE-OE1 3Å; R40-E110 IonicContact NE-OE2 3.5Å; R40-E110 IonicContact NH2-OE1 3.32Å; R40-E110 PolarHBondContact NH2-OE1 3.11Å; R40-E110 IonicContact NH2-OE2 3.54Å; R40-E110 PolarHBondContact NH2-OE2 2.71Å; Y64-E110 VanDerWaalsContact OH-CG 3.28Å; Y64-E110 WeakPolarHBondContact OH-CG 3.46Å; Y64-E110 PolarHBondContact OH-OE1 2.83Å; L68-E110 HydrophobicContact CD1-CG 4.3Å; L68-E110 HydrophobicContact CD2-CB 4.34Å; L68-E110 HydrophobicContact CD2-CG 3.76Å; F90-E110 HydrophobicContact CB-CB 4.21Å; F90-E110 HydrophobicContact CD1-CB 3.67Å; F90-E110 HydrophobicContact CD1-CG 3.67Å; F90-E110 WeakPolarHBondContact CD1-OE2 3.44Å; F90-E110 HydrophobicContact CD2-CB 3.66Å; F90-E110 HydrophobicContact CD2-CG 4.49Å; F90-E110 HydrophobicContact CE1-CB 3.81Å; F90-E110 HydrophobicContact CE1-CG 3.56Å; F90-E110 HydrophobicContact CE2-CB 3.79Å; F90-E110 HydrophobicContact CE2-CG 4.4Å; F90-E110 HydrophobicContact CG-CB 3.59Å; F90-E110 HydrophobicContact CG-CG 4.14Å; F90-E110 HydrophobicContact CZ-CB 3.85Å; F90-E110 HydrophobicContact CZ-CG 3.93Å; W92-E110 PolarHBondContact NE1-OE2 3.1Å; D106-E110 PolarHBondContact O-N 2.99Å; A107-E110 PolarHBondContact O-N 3.35Å; V108-E110 VanDerWaalsContact C-N 3.35Å; V108-E110 PolarHBondContact O-N 3.15Å; E110-V112 PolarHBondContact O-N 3.47Å; E110-S113 PolarHBondContact O-N 3.18Å; E110-M114 VanDerWaalsContact O-CB 3.25Å; E110-M114 WeakPolarHBondContact O-CB 3.38Å; E110-M114 PolarHBondContact O-N 2.85Å; E110-M114 WeakPolarHBondContact OE1-CE 3.37Å
111L98.1Very high97Very high1 Ų113.2 Ų13.21%0.0058%0.076CC..Hα-helixtrans-56.6-51.9179.8175.267.3000110.8F65 L68 I72 A107 V108 A115 L358F65-L111 HydrophobicContact CD1-CD1 3.62Å; F65-L111 HydrophobicContact CE1-CD1 4.02Å; F65-L111 HydrophobicContact CG-CD1 4.14Å; L68-L111 HydrophobicContact CD2-CB 3.88Å; L68-L111 HydrophobicContact CD2-CD1 4.23Å; I72-L111 HydrophobicContact CD1-CB 3.92Å; I72-L111 HydrophobicContact CD1-CD2 3.75Å; I72-L111 HydrophobicContact CD1-CG 4.39Å; A107-L111 WeakPolarHBondContact O-CB 3.07Å; A107-L111 PolarHBondContact O-N 3.36Å; V108-L111 WeakPolarHBondContact O-CB 3.21Å; V108-L111 PolarHBondContact O-N 3.35Å; L111-A115 WeakPolarHBondContact O-CB 3.5Å; L111-A115 PolarHBondContact O-N 3.39Å; L111-L358 HydrophobicContact CD1-CD1 4.39Å; L111-L358 HydrophobicContact CD1-CD2 3.91Å; L111-L358 HydrophobicContact CD2-CD1 3.92Å
112V97.9Very high97.2Very high0 Ų012 Ų120%07%0.066CC..Hα-helixtrans-68.1-39-178.8-58.20000111.9V108 F109 E110 F116 L157 H161 V162 L165 L175V108-V112 HydrophobicContact CG1-CG1 4.34Å; V108-V112 WeakPolarHBondContact O-CG1 3.25Å; V108-V112 WeakPolarHBondContact O-CG2 3.41Å; V108-V112 PolarHBondContact O-N 3.23Å; F109-V112 WeakPolarHBondContact O-CG2 3.49Å; E110-V112 PolarHBondContact O-N 3.47Å; V112-F116 WeakPolarHBondContact O-CB 3.43Å; V112-F116 PolarHBondContact O-N 2.99Å; V112-L157 HydrophobicContact CB-CD2 4.28Å; V112-L157 HydrophobicContact CG1-CD2 4.11Å; V112-H161 HydrophobicContact CG1-CB 3.43Å; V112-H161 VanDerWaalsContact CG1-CB 3.43Å; V112-V162 HydrophobicContact CG1-CG2 4.49Å; V112-L165 HydrophobicContact CG2-CD1 4.37Å; V112-L165 HydrophobicContact CG2-CD2 4.49Å; V112-L175 HydrophobicContact CB-CD2 4.14Å; V112-L175 HydrophobicContact CG2-CD1 3.53Å; V112-L175 HydrophobicContact CG2-CD2 3.81Å; V112-L175 HydrophobicContact CG2-CG 4.31Å
113S98.3Very high97.5Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-67.6-42.2-179.9-63.40000112.3F109 E110 N117F109-S113 WeakPolarHBondContact O-CB 3.32Å; F109-S113 PolarHBondContact O-N 3.2Å; F109-S113 PolarHBondContact O-OG 3.39Å; E110-S113 PolarHBondContact O-N 3.18Å; S113-N117 PolarHBondContact O-N 3.43Å; S113-N117 VanDerWaalsContact O-N 3.13Å
114M98.6Very high97.5Very high0 Ų010.4 Ų10.40%05%0.048CC..Hα-helixtrans-68.4-46.6176.7-176.167.879.200111.2R40 L43 L44 F47 Y64 F65 W92 E110 F116 N117 V118R40-M114 HydrophobicContact CG-CE 3.88Å; L43-M114 HydrophobicContact CD2-CE 4.35Å; L43-M114 HydrophobicContact CD2-CG 3.59Å; L43-M114 HydrophobicContact CD2-SD 3.68Å; L43-M114 HydrophobicContact CG-SD 4.1Å; L44-M114 HydrophobicContact CD2-CE 3.98Å; L44-M114 HydrophobicContact CD2-SD 4.3Å; L44-M114 HydrophobicContact CG-CE 4.05Å; F47-M114 HydrophobicContact CE2-SD 3.61Å; F47-M114 HydrophobicContact CZ-SD 3.72Å; Y64-M114 HydrophobicContact CD1-CE 4.39Å; Y64-M114 HydrophobicContact CD1-CG 4.07Å; Y64-M114 HydrophobicContact CE1-CB 4.32Å; Y64-M114 HydrophobicContact CE1-CE 3.82Å; Y64-M114 HydrophobicContact CE1-CG 3.87Å; F65-M114 HydrophobicContact CE1-CB 3.94Å; F65-M114 HydrophobicContact CE1-CG 3.7Å; F65-M114 HydrophobicContact CZ-CB 4.32Å; F65-M114 HydrophobicContact CZ-CG 3.92Å; W92-M114 HydrophobicContact CH2-CB 4.44Å; W92-M114 HydrophobicContact CH2-CE 3.8Å; W92-M114 HydrophobicContact CH2-SD 3.74Å; W92-M114 HydrophobicContact CZ2-CB 4.13Å; W92-M114 HydrophobicContact CZ2-CE 3.73Å; W92-M114 HydrophobicContact CZ2-SD 4.1Å; E110-M114 VanDerWaalsContact O-CB 3.25Å; E110-M114 WeakPolarHBondContact O-CB 3.38Å; E110-M114 PolarHBondContact O-N 2.85Å; E110-M114 WeakPolarHBondContact OE1-CE 3.37Å; M114-F116 VanDerWaalsContact C-N 3.3Å; M114-F116 PolarHBondContact O-N 2.99Å; M114-N117 WeakPolarHBondContact O-CA 3.46Å; M114-N117 WeakPolarHBondContact O-CB 3.38Å; M114-N117 PolarHBondContact O-N 2.69Å; M114-V118 WeakPolarHBondContact O-CG2 3.36Å; M114-V118 PolarHBondContact O-N 3.44Å
115A98.5Very high97.6Very high1 Ų110.2 Ų10.21%0.0085%0.047CC..Hα-helixtrans-63.8-36.1177.800000112.1F65 L111 N117 V118 A119 I153 L157F65-A115 HydrophobicContact CE2-CB 4.28Å; F65-A115 HydrophobicContact CZ-CB 3.82Å; L111-A115 WeakPolarHBondContact O-CB 3.5Å; L111-A115 PolarHBondContact O-N 3.39Å; A115-N117 VanDerWaalsContact C-N 3.29Å; A115-N117 PolarHBondContact O-N 3.27Å; A115-V118 WeakPolarHBondContact O-CB 3.27Å; A115-V118 PolarHBondContact O-N 3.31Å; A115-A119 PolarHBondContact O-N 3.19Å; A115-I153 HydrophobicContact CB-CG2 4.36Å; A115-I153 WeakPolarHBondContact O-CG2 3.44Å; A115-L157 HydrophobicContact CB-CD1 3.77Å; A115-L157 HydrophobicContact CB-CD2 3.79Å; A115-L157 HydrophobicContact CB-CG 4.28Å
116F98.6Very high97.6Very high0 Ų04.9 Ų4.90%02%0.022CC..Hα-helixtrans-58.4-44.6170.6-169-73.4000110.5K11 T95 V112 M114 V118 A119 V120 F154 L157 D174 L175 M180 Y183K11-F116 HydrophobicContact CD-CB 4.39Å; K11-F116 HydrophobicContact CD-CD1 3.65Å; K11-F116 HydrophobicContact CD-CE1 4.32Å; K11-F116 HydrophobicContact CD-CG 4.28Å; T95-F116 HydrophobicContact CG2-CE1 3.9Å; V112-F116 WeakPolarHBondContact O-CB 3.43Å; V112-F116 PolarHBondContact O-N 2.99Å; M114-F116 VanDerWaalsContact C-N 3.3Å; M114-F116 PolarHBondContact O-N 2.99Å; F116-V118 VanDerWaalsContact C-N 3.34Å; F116-V118 PolarHBondContact O-N 3.44Å; F116-A119 WeakPolarHBondContact O-CB 3.41Å; F116-A119 PolarHBondContact O-N 2.69Å; F116-A119 VanDerWaalsContact O-N 3.16Å; F116-V120 HydrophobicContact CD1-CG2 3.72Å; F116-V120 HydrophobicContact CE1-CG2 3.57Å; F116-V120 WeakPolarHBondContact O-CG2 3.48Å; F116-V120 PolarHBondContact O-N 3.47Å; F116-F154 AromaticContact CD1-CE1 3.82Å; F116-F154 HydrophobicContact CD1-CE1 3.82Å; F116-F154 AromaticContact CD2-CD1 3.76Å; F116-F154 HydrophobicContact CD2-CD1 3.76Å; F116-F154 AromaticContact CD2-CE1 3.61Å; F116-F154 HydrophobicContact CD2-CE1 3.61Å; F116-F154 AromaticContact CE1-CE1 3.73Å; F116-F154 HydrophobicContact CE1-CE1 3.73Å; F116-F154 HydrophobicContact CE1-CZ 4.37Å; F116-F154 AromaticContact CE2-CD1 3.72Å; F116-F154 HydrophobicContact CE2-CD1 3.72Å; F116-F154 AromaticContact CE2-CE1 3.51Å; F116-F154 HydrophobicContact CE2-CE1 3.51Å; F116-F154 HydrophobicContact CG-CD1 4.28Å; F116-F154 AromaticContact CG-CE1 3.76Å; F116-F154 HydrophobicContact CG-CE1 3.76Å; F116-F154 HydrophobicContact CZ-CD1 4.23Å; F116-F154 AromaticContact CZ-CE1 3.58Å; F116-F154 HydrophobicContact CZ-CE1 3.58Å; F116-F154 HydrophobicContact CZ-CZ 4.38Å; F116-L157 HydrophobicContact CB-CD1 4.18Å; F116-D174 HydrophobicContact CD1-CB 4.31Å; F116-D174 HydrophobicContact CD2-CB 4.22Å; F116-D174 HydrophobicContact CE1-CB 3.87Å; F116-D174 HydrophobicContact CE2-CB 3.77Å; F116-D174 WeakPolarHBondContact CE2-O 3.4Å; F116-D174 HydrophobicContact CG-CB 4.48Å; F116-D174 HydrophobicContact CZ-CB 3.57Å; F116-L175 HydrophobicContact CD2-CD2 4.28Å; F116-M180 HydrophobicContact CD2-CE 4.33Å; F116-M180 HydrophobicContact CE2-CG 4.27Å; F116-Y183 HydrophobicContact CE1-CD2 4.4Å; F116-Y183 HydrophobicContact CE1-CE2 4.07Å; F116-Y183 HydrophobicContact CE2-CD2 4.29Å; F116-Y183 AromaticContact CZ-CD2 3.55Å; F116-Y183 HydrophobicContact CZ-CD2 3.55Å; F116-Y183 AromaticContact CZ-CE2 3.52Å; F116-Y183 HydrophobicContact CZ-CE2 3.52Å; F116-Y183 HydrophobicContact CZ-CG 4.4Å
117N97.9Very high97.4Very high0 Ų05.7 Ų5.70%03%0.028CC..Hα-helixtrans-66.9-34.1178.1-143.529.3000112.7L10 K11 F47 W92 S113 M114 A115 V120 W121L10-N117 VanDerWaalsContact CD2-OD1 3.32Å; L10-N117 WeakPolarHBondContact CD2-OD1 3.49Å; K11-N117 PolarHBondContact N-OD1 3.41Å; K11-N117 PolarHBondContact O-ND2 2.92Å; F47-N117 WeakPolarHBondContact CD2-ND2 3.44Å; F47-N117 HydrophobicContact CE1-CB 4.46Å; F47-N117 HydrophobicContact CE2-CB 4.12Å; F47-N117 WeakPolarHBondContact CE2-ND2 3.21Å; F47-N117 HydrophobicContact CZ-CB 3.91Å; W92-N117 HydrophobicContact CZ3-CB 4.4Å; S113-N117 PolarHBondContact O-N 3.43Å; S113-N117 VanDerWaalsContact O-N 3.13Å; M114-N117 WeakPolarHBondContact O-CA 3.46Å; M114-N117 WeakPolarHBondContact O-CB 3.38Å; M114-N117 PolarHBondContact O-N 2.69Å; A115-N117 VanDerWaalsContact C-N 3.29Å; A115-N117 PolarHBondContact O-N 3.27Å; N117-V120 PolarHBondContact O-N 2.83Å; N117-W121 PolarHBondContact O-N 3.49Å
118V98.6Very high97.1Very high4 Ų49 Ų92%0.0244%0.041CC..Hα-helixtrans-59.9-45.7169.4174.10000110.7L43 F47 M57 F65 M114 A115 F116 W121 Y122 I153L43-V118 HydrophobicContact CD1-CG2 4.35Å; F47-V118 HydrophobicContact CE1-CB 4.44Å; F47-V118 HydrophobicContact CE1-CG2 3.85Å; F47-V118 HydrophobicContact CZ-CG2 3.89Å; M57-V118 HydrophobicContact CG-CG1 4.14Å; M57-V118 HydrophobicContact SD-CG1 4.3Å; M57-V118 HydrophobicContact SD-CG2 4.23Å; F65-V118 HydrophobicContact CE2-CG2 4.44Å; F65-V118 HydrophobicContact CZ-CG2 4.21Å; M114-V118 WeakPolarHBondContact O-CG2 3.36Å; M114-V118 PolarHBondContact O-N 3.44Å; A115-V118 WeakPolarHBondContact O-CB 3.27Å; A115-V118 PolarHBondContact O-N 3.31Å; F116-V118 VanDerWaalsContact C-N 3.34Å; F116-V118 PolarHBondContact O-N 3.44Å; V118-W121 WeakPolarHBondContact O-CB 3.49Å; V118-W121 PolarHBondContact O-N 3.44Å; V118-Y122 HydrophobicContact CG1-CD2 3.96Å; V118-Y122 HydrophobicContact CG1-CE2 3.72Å; V118-Y122 VanDerWaalsContact O-CD2 3.26Å; V118-Y122 WeakPolarHBondContact O-CD2 3.4Å; V118-Y122 PolarHBondContact O-N 3.09Å; V118-I153 HydrophobicContact CG1-CD1 4.16Å
119A98.6Very high96.8Very high0 Ų09.6 Ų9.60%04%0.044CC..Hα-helixtrans-61.5-45.2175.500000111.9A115 F116 W121 Y122 T123 A150 I153 F154A115-A119 PolarHBondContact O-N 3.19Å; F116-A119 WeakPolarHBondContact O-CB 3.41Å; F116-A119 PolarHBondContact O-N 2.69Å; F116-A119 VanDerWaalsContact O-N 3.16Å; A119-W121 VanDerWaalsContact C-N 3.28Å; A119-W121 PolarHBondContact O-N 2.88Å; A119-Y122 WeakPolarHBondContact O-CB 3.49Å; A119-Y122 PolarHBondContact O-N 3.45Å; A119-Y122 VanDerWaalsContact O-N 3.13Å; A119-T123 WeakPolarHBondContact O-CG2 3.37Å; A119-T123 PolarHBondContact O-N 3.32Å; A119-T123 VanDerWaalsContact O-N 3.09Å; A119-A150 HydrophobicContact CB-CB 4.37Å; A119-A150 WeakPolarHBondContact O-CB 3.31Å; A119-I153 HydrophobicContact CB-CB 3.85Å; A119-I153 HydrophobicContact CB-CD1 4.21Å; A119-I153 HydrophobicContact CB-CG2 3.79Å; A119-F154 HydrophobicContact CB-CD1 3.92Å; A119-F154 HydrophobicContact CB-CD2 4.01Å; A119-F154 HydrophobicContact CB-CE1 3.55Å; A119-F154 HydrophobicContact CB-CE2 3.65Å; A119-F154 HydrophobicContact CB-CG 4.14Å; A119-F154 HydrophobicContact CB-CZ 3.4Å; A119-F154 VanDerWaalsContact CB-CZ 3.4Å
120V97.9Very high96.4Very high2 Ų29.2 Ų9.21%0.0124%0.042CC..Hα-helixtrans-58.4-41.4174.6176.10000110.9L10 T95 F116 N117 Y122 T123 K124 F154L10-V120 HydrophobicContact CD2-CB 4.15Å; L10-V120 HydrophobicContact CD2-CG1 3.72Å; L10-V120 HydrophobicContact CG-CG1 4.47Å; T95-V120 HydrophobicContact CG2-CG2 4.33Å; F116-V120 HydrophobicContact CD1-CG2 3.72Å; F116-V120 HydrophobicContact CE1-CG2 3.57Å; F116-V120 WeakPolarHBondContact O-CG2 3.48Å; F116-V120 PolarHBondContact O-N 3.47Å; N117-V120 PolarHBondContact O-N 2.83Å; V120-Y122 PolarHBondContact O-N 3.07Å; V120-T123 PolarHBondContact O-N 3.35Å; V120-T123 PolarHBondContact O-OG1 3.33Å; V120-K124 HydrophobicContact CG1-CD 4.1Å; V120-K124 PolarHBondContact O-N 2.93Å; V120-F154 HydrophobicContact CG2-CE1 4.41Å; V120-F154 HydrophobicContact CG2-CZ 4.01Å
121W97.9Very high95.8Very high10 Ų1010.4 Ų10.44%0.0385%0.054CC..Hα-helixtrans-59.3-44.9174.8176.693.1000112.2M46 F47 C52 P54 M57 N117 V118 A119 T123 K124 F125M46-W121 PolarHBondContact O-NE1 3.37Å; F47-W121 HydrophobicContact CD1-CB 3.83Å; F47-W121 HydrophobicContact CD1-CG 4.11Å; F47-W121 HydrophobicContact CE1-CB 4.22Å; C52-W121 HydrophobicContact CB-CZ2 3.93Å; C52-W121 WeakPolarHBondContact SG-CZ2 3.43Å; P54-W121 HydrophobicContact CG-CH2 4.46Å; M57-W121 HydrophobicContact CB-CD2 4.36Å; M57-W121 HydrophobicContact CB-CE3 3.92Å; M57-W121 HydrophobicContact CB-CH2 3.67Å; M57-W121 HydrophobicContact CB-CZ2 4.09Å; M57-W121 HydrophobicContact CB-CZ3 3.56Å; M57-W121 HydrophobicContact CE-CB 4.25Å; M57-W121 HydrophobicContact CE-CD2 3.48Å; M57-W121 VanDerWaalsContact CE-CD2 3.48Å; M57-W121 HydrophobicContact CE-CE3 4.07Å; M57-W121 HydrophobicContact CE-CG 3.54Å; M57-W121 HydrophobicContact CE-CZ2 4.31Å; M57-W121 HydrophobicContact CG-CD2 4Å; M57-W121 HydrophobicContact CG-CE3 3.55Å; M57-W121 HydrophobicContact CG-CH2 4.27Å; M57-W121 HydrophobicContact CG-CZ3 3.71Å; M57-W121 HydrophobicContact SD-CD2 4.47Å; N117-W121 PolarHBondContact O-N 3.49Å; V118-W121 WeakPolarHBondContact O-CB 3.49Å; V118-W121 PolarHBondContact O-N 3.44Å; A119-W121 VanDerWaalsContact C-N 3.28Å; A119-W121 PolarHBondContact O-N 2.88Å; W121-T123 VanDerWaalsContact C-N 3.28Å; W121-T123 PolarHBondContact O-N 3.16Å; W121-K124 PolarHBondContact O-N 3.21Å; W121-F125 HydrophobicContact CE3-CB 4.47Å; W121-F125 HydrophobicContact CH2-CB 4.16Å; W121-F125 AromaticContact CH2-CD2 3.97Å; W121-F125 HydrophobicContact CH2-CD2 3.97Å; W121-F125 HydrophobicContact CH2-CG 4.06Å; W121-F125 HydrophobicContact CZ2-CB 4.29Å; W121-F125 HydrophobicContact CZ2-CD2 4.06Å; W121-F125 HydrophobicContact CZ2-CG 4.4Å; W121-F125 HydrophobicContact CZ3-CB 4.26Å; W121-F125 HydrophobicContact CZ3-CG 4.46Å; W121-F125 WeakPolarHBondContact O-CB 3.23Å; W121-F125 PolarHBondContact O-N 3.29Å
122Y98.4Very high95.2Very high18 Ų1813.9 Ų13.97%0.0717%0.07CC..Hα-helixtrans-59-40.3175.9-85.7-76.9000111.8P54 M57 V118 A119 V120 K124 A126 V149 I153P54-Y122 HydrophobicContact CB-CE1 3.98Å; P54-Y122 HydrophobicContact CG-CE1 4.46Å; P54-Y122 PolarHBondContact O-OH 3.06Å; M57-Y122 HydrophobicContact CG-CE2 4.25Å; V118-Y122 HydrophobicContact CG1-CD2 3.96Å; V118-Y122 HydrophobicContact CG1-CE2 3.72Å; V118-Y122 VanDerWaalsContact O-CD2 3.26Å; V118-Y122 WeakPolarHBondContact O-CD2 3.4Å; V118-Y122 PolarHBondContact O-N 3.09Å; A119-Y122 WeakPolarHBondContact O-CB 3.49Å; A119-Y122 PolarHBondContact O-N 3.45Å; A119-Y122 VanDerWaalsContact O-N 3.13Å; V120-Y122 PolarHBondContact O-N 3.07Å; Y122-K124 PolarHBondContact O-N 3.34Å; Y122-A126 WeakPolarHBondContact O-CB 3.17Å; Y122-A126 PolarHBondContact O-N 3.38Å; Y122-V149 HydrophobicContact CD1-CG1 4.27Å; Y122-V149 HydrophobicContact CD2-CG1 4.1Å; Y122-V149 HydrophobicContact CE1-CG1 4.06Å; Y122-V149 HydrophobicContact CE2-CG1 3.93Å; Y122-V149 HydrophobicContact CG-CG1 4.29Å; Y122-I153 HydrophobicContact CD2-CD1 4Å; Y122-I153 HydrophobicContact CE2-CD1 4.13Å
123T97.8Very high93.9Very high5 Ų518.5 Ų18.53%0.0319%0.091CC..Hα-helixtrans-64.2-40.1174.9760000111.8R7 A119 V120 W121 A126 S127 A150 F154 C187R7-T123 WeakPolarHBondContact CD-OG1 3.46Å; R7-T123 VanDerWaalsContact CZ-O 3.24Å; R7-T123 PolarHBondContact NE-O 2.89Å; R7-T123 PolarHBondContact NE-OG1 3.07Å; R7-T123 PolarHBondContact NH2-O 2.94Å; A119-T123 WeakPolarHBondContact O-CG2 3.37Å; A119-T123 PolarHBondContact O-N 3.32Å; A119-T123 VanDerWaalsContact O-N 3.09Å; V120-T123 PolarHBondContact O-N 3.35Å; V120-T123 PolarHBondContact O-OG1 3.33Å; W121-T123 VanDerWaalsContact C-N 3.28Å; W121-T123 PolarHBondContact O-N 3.16Å; T123-A126 PolarHBondContact O-N 3.38Å; T123-S127 WeakPolarHBondContact O-CB 3.47Å; T123-S127 PolarHBondContact O-N 3.43Å; T123-A150 HydrophobicContact CG2-CB 3.7Å; T123-F154 HydrophobicContact CG2-CE2 4.34Å; T123-C187 VanDerWaalsContact CG2-SG 3.59Å
124K95.5Very high92.8Very high30 Ų3025.2 Ų25.213%0.1313%0.127CC..Hα-helixtrans-69.9-42.1179.3-74.4174.8-178.7-90.30111.6R7 N8 L10 V120 W121 Y122 A126 S127 R128 E396R7-K124 HydrophobicContact CB-CG 4.27Å; R7-K124 HydrophobicContact CG-CG 4.04Å; N8-K124 WeakPolarHBondContact O-CE 3.41Å; N8-K124 PolarHBondContact O-NZ 3.21Å; L10-K124 HydrophobicContact CD1-CD 4.38Å; L10-K124 HydrophobicContact CD2-CD 4.07Å; L10-K124 HydrophobicContact CG-CD 3.85Å; V120-K124 HydrophobicContact CG1-CD 4.1Å; V120-K124 PolarHBondContact O-N 2.93Å; W121-K124 PolarHBondContact O-N 3.21Å; Y122-K124 PolarHBondContact O-N 3.34Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 2.61Å; K124-S127 PolarHBondContact O-N 2.85Å; K124-R128 WeakPolarHBondContact O-CB 3.34Å; K124-R128 PolarHBondContact O-N 3.34Å; K124-E396 WeakPolarHBondContact CE-OE1 3.19Å; K124-E396 IonicContact NZ-OE1 3.88Å; K124-E396 PolarHBondContact NZ-OE1 3.21Å; K124-E396 IonicContact NZ-OE2 2.75Å; K124-E396 PolarHBondContact NZ-OE2 2.79Å
125F95.1Very high92.1Very high16 Ų1626.8 Ų26.87%0.0714%0.135CC..Hα-helixtrans-55.3-49.1171.4176.6-94.3000110.9P54 W121 R128 L129 D142 S146P54-F125 VanDerWaalsContact CD-CZ 3.5Å; P54-F125 HydrophobicContact CG-CD1 4.18Å; P54-F125 HydrophobicContact CG-CE1 3.64Å; P54-F125 HydrophobicContact CG-CE2 4.47Å; P54-F125 HydrophobicContact CG-CZ 3.82Å; W121-F125 HydrophobicContact CE3-CB 4.47Å; W121-F125 HydrophobicContact CH2-CB 4.16Å; W121-F125 AromaticContact CH2-CD2 3.97Å; W121-F125 HydrophobicContact CH2-CD2 3.97Å; W121-F125 HydrophobicContact CH2-CG 4.06Å; W121-F125 HydrophobicContact CZ2-CB 4.29Å; W121-F125 HydrophobicContact CZ2-CD2 4.06Å; W121-F125 HydrophobicContact CZ2-CG 4.4Å; W121-F125 HydrophobicContact CZ3-CB 4.26Å; W121-F125 HydrophobicContact CZ3-CG 4.46Å; W121-F125 WeakPolarHBondContact O-CB 3.23Å; W121-F125 PolarHBondContact O-N 3.29Å; F125-R128 PolarHBondContact O-N 3.01Å; F125-L129 HydrophobicContact CD1-CD1 4.1Å; F125-L129 HydrophobicContact CE1-CD1 3.36Å; F125-L129 HydrophobicContact CE1-CG 4.29Å; F125-L129 HydrophobicContact CE2-CD1 4.29Å; F125-L129 HydrophobicContact CZ-CD1 3.47Å; F125-L129 VanDerWaalsContact CZ-CD1 3.47Å; F125-L129 HydrophobicContact CZ-CG 4.23Å; F125-L129 PolarHBondContact O-N 2.89Å; F125-L129 VanDerWaalsContact O-N 3.1Å; F125-D142 HydrophobicContact CE1-CB 4.44Å; F125-S146 WeakPolarHBondContact CD1-OG 3.35Å
126A95.4Very high91.7Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-60.3-46.1176.300000112.3Y122 T123 K124 R128 L129 A130 V143 L147Y122-A126 WeakPolarHBondContact O-CB 3.17Å; Y122-A126 PolarHBondContact O-N 3.38Å; T123-A126 PolarHBondContact O-N 3.38Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 2.61Å; A126-R128 PolarHBondContact O-N 2.97Å; A126-L129 PolarHBondContact O-N 2.9Å; A126-A130 WeakPolarHBondContact O-CB 3.33Å; A126-A130 PolarHBondContact O-N 2.91Å; A126-V143 HydrophobicContact CB-CG1 4.09Å; A126-V143 WeakPolarHBondContact O-CG2 3.47Å; A126-L147 HydrophobicContact CB-CD1 4.28Å; A126-L147 HydrophobicContact CB-CD2 3.88Å; A126-L147 HydrophobicContact CB-CG 3.71Å
127S92.9Very high91.2Very high23 Ų2333.9 Ų33.916%0.16117%0.173CC..Hα-helixtrans-62.3-42.3178.6-177.90000112.7F5 T123 K124 L129 A130 G131F5-S127 PolarHBondContact O-OG 3.5Å; T123-S127 WeakPolarHBondContact O-CB 3.47Å; T123-S127 PolarHBondContact O-N 3.43Å; K124-S127 PolarHBondContact O-N 2.85Å; S127-L129 PolarHBondContact O-N 3.37Å; S127-A130 PolarHBondContact O-N 2.73Å; S127-G131 PolarHBondContact O-N 3.15Å
128R90.4Very high90.9Very high70 Ų7037.9 Ų37.926%0.26420%0.199SC..Hα-helixtrans-61.2-43.5176.7-179.5178.668.7-172.44.8112.3S50 K124 F125 A126 L399S50-R128 PolarHBondContact O-NH1 2.78Å; S50-R128 VanDerWaalsContact O-NH1 3.17Å; S50-R128 PolarHBondContact O-NH2 3.43Å; K124-R128 WeakPolarHBondContact O-CB 3.34Å; K124-R128 PolarHBondContact O-N 3.34Å; F125-R128 PolarHBondContact O-N 3.01Å; A126-R128 PolarHBondContact O-N 2.97Å; R128-L399 HydrophobicContact CG-CD2 3.81Å
129L91.4Very high90.6Very high13 Ų1339.5 Ų39.57%0.06821%0.206CC..Hα-helixtrans-68.6-43.5176.2-73.9-177000111.6F125 A126 S127 G131 K132 E139 D142 V143F125-L129 HydrophobicContact CD1-CD1 4.1Å; F125-L129 HydrophobicContact CE1-CD1 3.36Å; F125-L129 HydrophobicContact CE1-CG 4.29Å; F125-L129 HydrophobicContact CE2-CD1 4.29Å; F125-L129 HydrophobicContact CZ-CD1 3.47Å; F125-L129 VanDerWaalsContact CZ-CD1 3.47Å; F125-L129 HydrophobicContact CZ-CG 4.23Å; F125-L129 PolarHBondContact O-N 2.89Å; F125-L129 VanDerWaalsContact O-N 3.1Å; A126-L129 PolarHBondContact O-N 2.9Å; S127-L129 PolarHBondContact O-N 3.37Å; L129-G131 VanDerWaalsContact C-N 3.25Å; L129-G131 PolarHBondContact O-N 2.92Å; L129-K132 HydrophobicContact CD2-CD 4.44Å; L129-K132 WeakPolarHBondContact O-CB 3.37Å; L129-K132 WeakPolarHBondContact O-CG 2.79Å; L129-K132 PolarHBondContact O-N 3.1Å; L129-E139 HydrophobicContact CD2-CG 4.48Å; L129-D142 HydrophobicContact CD1-CB 4.05Å; L129-V143 HydrophobicContact CB-CG2 3.55Å; L129-V143 HydrophobicContact CD1-CG2 4.4Å
130A89.3Confident90.3Very high0 Ų040.8 Ų40.80%022%0.216CC..Hα-helixtrans-65.9-27-177.600000113.5A2 H3 F5 A126 S127 K132 V143A2-A130 CarbonylContact C-O 3.4Å; A2-A130 WeakPolarHBondContact CA-O 3.37Å; H3-A130 HydrophobicContact CB-CB 4.06Å; H3-A130 PolarHBondContact N-O 3.38Å; H3-A130 CarbonylContact O-C 3.55Å; F5-A130 HydrophobicContact CD2-CB 4.16Å; F5-A130 HydrophobicContact CE2-CB 3.61Å; F5-A130 HydrophobicContact CZ-CB 4.39Å; A126-A130 WeakPolarHBondContact O-CB 3.33Å; A126-A130 PolarHBondContact O-N 2.91Å; S127-A130 PolarHBondContact O-N 2.73Å; A130-K132 VanDerWaalsContact C-N 3.3Å; A130-K132 PolarHBondContact O-N 3.28Å; A130-V143 HydrophobicContact CB-CG1 3.97Å; A130-V143 HydrophobicContact CB-CG2 4.01Å
131G85.1Confident90.1Very high25 Ų2546.5 Ų46.526%0.25824%0.241SC..THydrogen-bonded Turntrans-76.2-7.5176.200000115.2S127 L129S127-G131 PolarHBondContact O-N 3.15Å; L129-G131 VanDerWaalsContact C-N 3.25Å; L129-G131 PolarHBondContact O-N 2.92Å
132K84.3Confident90Very high75 Ų7549.3 Ų49.333%0.32626%0.257SS..  trans-68.7134.4176.5-65.8-178.8-179.3-177.90110.5L129 A130 N134 E139L129-K132 HydrophobicContact CD2-CD 4.44Å; L129-K132 WeakPolarHBondContact O-CB 3.37Å; L129-K132 WeakPolarHBondContact O-CG 2.79Å; L129-K132 PolarHBondContact O-N 3.1Å; A130-K132 VanDerWaalsContact C-N 3.3Å; A130-K132 PolarHBondContact O-N 3.28Å; K132-N134 VanDerWaalsContact C-N 3.32Å; K132-N134 PolarHBondContact O-N 2.98Å; K132-E139 IonicContact NZ-OE1 2.58Å; K132-E139 PolarHBondContact NZ-OE1 2.91Å
133E70.6Confident89.9Confident96 Ų9648.5 Ų48.545%0.44925%0.254SS..THydrogen-bonded Turntrans-58.3-44177.7-71.2176.5-17000112.5
134N76.5Confident89.8Confident141 Ų14150.5 Ų50.575%0.75426%0.263SS*.THydrogen-bonded Turntrans-110.456.2-177.3-63.1-38.5000111.2K132 T136K132-N134 VanDerWaalsContact C-N 3.32Å; K132-N134 PolarHBondContact O-N 2.98Å; N134-T136 PolarHBondContact O-N 3.48Å
135I84.1Confident89.9Confident33 Ų3355.6 Ų55.617%0.16929%0.285CS..  trans-59.9126.7172.9-170.5170.1000110.5E139 A140 V143I135-E139 HydrophobicContact CD1-CB 4.22Å; I135-E139 HydrophobicContact CG1-CB 3.64Å; I135-A140 HydrophobicContact CD1-CB 4.04Å; I135-A140 HydrophobicContact CG1-CB 4.33Å; I135-V143 HydrophobicContact CD1-CG2 3.96Å
136T88.3Confident90Very high70 Ų7055 Ų5543%0.42928%0.283SS..  trans-81160.3176.362.70000111.3N134 E139 A140N134-T136 PolarHBondContact O-N 3.48Å; T136-E139 WeakPolarHBondContact CB-OE2 3.24Å; T136-E139 PolarHBondContact N-OE2 3.18Å; T136-E139 PolarHBondContact O-N 3.48Å; T136-E139 VanDerWaalsContact OG1-CD 3.29Å; T136-E139 VanDerWaalsContact OG1-CG 3.24Å; T136-E139 WeakPolarHBondContact OG1-CG 3.49Å; T136-E139 PolarHBondContact OG1-N 3.34Å; T136-E139 PolarHBondContact OG1-OE2 3.34Å; T136-A140 PolarHBondContact O-N 3.26Å
137E89.2Confident90.2Very high81 Ų8155 Ų5538%0.37928%0.283SS..Hα-helixtrans-56.2-43.6176.7-177.2-177.1143.200113.1E139 A140 K141 R198E137-E139 PolarHBondContact O-N 3.1Å; E137-A140 PolarHBondContact O-N 3.39Å; E137-K141 WeakPolarHBondContact O-CG 3.08Å; E137-K141 PolarHBondContact O-N 3.32Å; E137-K141 WeakPolarHBondContact OE1-CE 3.33Å; E137-K141 IonicContact OE1-NZ 3.4Å; E137-K141 PolarHBondContact OE1-NZ 3.39Å; E137-R198 IonicContact OE1-NH2 3.19Å; E137-R198 PolarHBondContact OE1-NH2 2.88Å; E137-R198 IonicContact OE2-CZ 3.95Å; E137-R198 IonicContact OE2-NH1 3.4Å; E137-R198 PolarHBondContact OE2-NH1 2.87Å; E137-R198 IonicContact OE2-NH2 3.4Å; E137-R198 PolarHBondContact OE2-NH2 3.14Å
138P92.6Very high90.4Very high83 Ų8356.4 Ų56.454%0.53929%0.286SS..Hα-helixtrans-59.1-43.6174.5-24.935.9000112.8A140 K141 D142P138-A140 VanDerWaalsContact C-N 3.35Å; P138-A140 PolarHBondContact O-N 3.47Å; P138-K141 WeakPolarHBondContact O-CB 3.46Å; P138-K141 PolarHBondContact O-N 3.34Å; P138-D142 PolarHBondContact O-N 3.2Å
139E92.3Very high90.8Very high39 Ų3954.5 Ų54.518%0.18228%0.282CS..Hα-helixtrans-65.6-37.6178.1-70.3170.2129.100112L129 K132 I135 T136 E137 K141 D142 V143L129-E139 HydrophobicContact CD2-CG 4.48Å; K132-E139 IonicContact NZ-OE1 2.58Å; K132-E139 PolarHBondContact NZ-OE1 2.91Å; I135-E139 HydrophobicContact CD1-CB 4.22Å; I135-E139 HydrophobicContact CG1-CB 3.64Å; T136-E139 WeakPolarHBondContact CB-OE2 3.24Å; T136-E139 PolarHBondContact N-OE2 3.18Å; T136-E139 PolarHBondContact O-N 3.48Å; T136-E139 VanDerWaalsContact OG1-CD 3.29Å; T136-E139 VanDerWaalsContact OG1-CG 3.24Å; T136-E139 WeakPolarHBondContact OG1-CG 3.49Å; T136-E139 PolarHBondContact OG1-N 3.34Å; T136-E139 PolarHBondContact OG1-OE2 3.34Å; E137-E139 PolarHBondContact O-N 3.1Å; E139-K141 VanDerWaalsContact C-N 3.31Å; E139-K141 PolarHBondContact O-N 2.9Å; E139-D142 WeakPolarHBondContact O-CB 3.38Å; E139-D142 PolarHBondContact O-N 2.89Å; E139-D142 VanDerWaalsContact O-N 3.16Å; E139-V143 WeakPolarHBondContact O-CG2 3.25Å; E139-V143 PolarHBondContact O-N 3.47Å
140A91.3Very high91.1Very high26 Ų2653.9 Ų53.922%0.21528%0.279CS..Hα-helixtrans-63.4-38.1174.200000111.8I135 T136 E137 P138 D142 V143 H144 V194I135-A140 HydrophobicContact CD1-CB 4.04Å; I135-A140 HydrophobicContact CG1-CB 4.33Å; T136-A140 PolarHBondContact O-N 3.26Å; E137-A140 PolarHBondContact O-N 3.39Å; P138-A140 VanDerWaalsContact C-N 3.35Å; P138-A140 PolarHBondContact O-N 3.47Å; A140-D142 VanDerWaalsContact C-N 3.33Å; A140-V143 PolarHBondContact O-N 2.98Å; A140-H144 WeakPolarHBondContact O-CB 3.46Å; A140-H144 PolarHBondContact O-N 2.91Å; A140-V194 HydrophobicContact CB-CG1 4.33Å
141K94.1Very high91.6Very high123 Ų12353.9 Ų53.954%0.53528%0.279SS..Hα-helixtrans-63.2-40.2171.8-71174.9-175.4165.90111.4E137 P138 E139 H144 K145E137-K141 WeakPolarHBondContact O-CG 3.08Å; E137-K141 PolarHBondContact O-N 3.32Å; E137-K141 WeakPolarHBondContact OE1-CE 3.33Å; E137-K141 IonicContact OE1-NZ 3.4Å; E137-K141 PolarHBondContact OE1-NZ 3.39Å; P138-K141 WeakPolarHBondContact O-CB 3.46Å; P138-K141 PolarHBondContact O-N 3.34Å; E139-K141 VanDerWaalsContact C-N 3.31Å; E139-K141 PolarHBondContact O-N 2.9Å; K141-H144 PolarHBondContact O-N 3.22Å; K141-K145 VanDerWaalsContact O-CB 3.31Å; K141-K145 WeakPolarHBondContact O-CB 3.42Å; K141-K145 PolarHBondContact O-N 2.68Å
142D95.4Very high92.2Very high69 Ų6952.8 Ų52.837%0.36927%0.267SS..Hα-helixtrans-65.8-40.4176.8-73.7-21000112.5F125 L129 P138 E139 A140 S146F125-D142 HydrophobicContact CE1-CB 4.44Å; L129-D142 HydrophobicContact CD1-CB 4.05Å; P138-D142 PolarHBondContact O-N 3.2Å; E139-D142 WeakPolarHBondContact O-CB 3.38Å; E139-D142 PolarHBondContact O-N 2.89Å; E139-D142 VanDerWaalsContact O-N 3.16Å; A140-D142 VanDerWaalsContact C-N 3.33Å; D142-S146 WeakPolarHBondContact O-CB 3.47Å; D142-S146 PolarHBondContact O-N 3.46Å; D142-S146 PolarHBondContact O-OG 3.44Å
143V96.2Very high92.9Very high1 Ų149.3 Ų49.31%0.00625%0.253CS..Hα-helixtrans-56.8-54.2171.8173.40000109.7F5 A126 L129 A130 I135 E139 A140 K145 S146 L147 V194F5-V143 HydrophobicContact CE2-CG1 4.18Å; A126-V143 HydrophobicContact CB-CG1 4.09Å; A126-V143 WeakPolarHBondContact O-CG2 3.47Å; L129-V143 HydrophobicContact CB-CG2 3.55Å; L129-V143 HydrophobicContact CD1-CG2 4.4Å; A130-V143 HydrophobicContact CB-CG1 3.97Å; A130-V143 HydrophobicContact CB-CG2 4.01Å; I135-V143 HydrophobicContact CD1-CG2 3.96Å; E139-V143 WeakPolarHBondContact O-CG2 3.25Å; E139-V143 PolarHBondContact O-N 3.47Å; A140-V143 PolarHBondContact O-N 2.98Å; V143-K145 PolarHBondContact O-N 3.32Å; V143-S146 PolarHBondContact O-N 2.82Å; V143-L147 HydrophobicContact CG1-CD1 3.93Å; V143-L147 WeakPolarHBondContact O-CG 3.29Å; V143-L147 PolarHBondContact O-N 3.36Å; V143-L147 VanDerWaalsContact O-N 3.09Å; V143-V194 HydrophobicContact CB-CG2 4.48Å; V143-V194 HydrophobicContact CG1-CG2 3.72Å
144H96.3Very high94.2Very high47 Ų4744.8 Ų44.822%0.21823%0.231CC..Hα-helixtrans-60.2-46.7-178.3176.9-103.7000112A140 K141 K148 A191 V194A140-H144 WeakPolarHBondContact O-CB 3.46Å; A140-H144 PolarHBondContact O-N 2.91Å; K141-H144 PolarHBondContact O-N 3.22Å; H144-K148 VanDerWaalsContact CE1-CD 3.42Å; H144-K148 WeakPolarHBondContact CE1-CD 3.46Å; H144-K148 WeakPolarHBondContact O-CG 3.38Å; H144-K148 PolarHBondContact O-N 3.3Å; H144-A191 PolarHBondContact CD2-O 3.45Å; H144-V194 HydrophobicContact CB-CB 4.31Å; H144-V194 HydrophobicContact CB-CG1 4.08Å
145K97.3Very high95.2Very high137 Ų13741.8 Ų41.860%0.59621%0.211SC*.Hα-helixtrans-62.3-45.5177.7-175.7179177.2-175.40111.5K141 V143 L147 K148 V149K141-K145 VanDerWaalsContact O-CB 3.31Å; K141-K145 WeakPolarHBondContact O-CB 3.42Å; K141-K145 PolarHBondContact O-N 2.68Å; V143-K145 PolarHBondContact O-N 3.32Å; K145-L147 PolarHBondContact O-N 2.94Å; K145-K148 PolarHBondContact O-N 3.37Å; K145-V149 HydrophobicContact CG-CG2 4.45Å; K145-V149 WeakPolarHBondContact O-CG2 3.32Å; K145-V149 PolarHBondContact O-N 2.91Å
146S98.1Very high95.9Very high4 Ų441.4 Ų41.43%0.02821%0.211CC..Hα-helixtrans-62.6-41.7-177.7-620000112.2F125 D142 V143 V149 A150F125-S146 WeakPolarHBondContact CD1-OG 3.35Å; D142-S146 WeakPolarHBondContact O-CB 3.47Å; D142-S146 PolarHBondContact O-N 3.46Å; D142-S146 PolarHBondContact O-OG 3.44Å; V143-S146 PolarHBondContact O-N 2.82Å; S146-V149 PolarHBondContact O-N 2.86Å; S146-A150 PolarHBondContact O-N 3.17Å
147L98.4Very high96.3Very high0 Ų038.1 Ų38.10%019%0.191CC..Hα-helixtrans-65-41.9177-69.3166.3000111.8F5 A126 V143 K145 V149 A150 A151 C187 E190 A191F5-L147 HydrophobicContact CE2-CD1 4.22Å; A126-L147 HydrophobicContact CB-CD1 4.28Å; A126-L147 HydrophobicContact CB-CD2 3.88Å; A126-L147 HydrophobicContact CB-CG 3.71Å; V143-L147 HydrophobicContact CG1-CD1 3.93Å; V143-L147 WeakPolarHBondContact O-CG 3.29Å; V143-L147 PolarHBondContact O-N 3.36Å; V143-L147 VanDerWaalsContact O-N 3.09Å; K145-L147 PolarHBondContact O-N 2.94Å; L147-V149 VanDerWaalsContact C-N 3.35Å; L147-V149 PolarHBondContact O-N 2.8Å; L147-A150 PolarHBondContact O-N 3.27Å; L147-A151 PolarHBondContact O-N 3.09Å; L147-C187 WeakPolarHBondContact O-CB 3.46Å; L147-E190 HydrophobicContact CD1-CB 3.73Å; L147-E190 HydrophobicContact CD2-CB 4.13Å; L147-E190 VanDerWaalsContact CD2-OE2 3.25Å; L147-E190 WeakPolarHBondContact CD2-OE2 3.25Å; L147-A191 HydrophobicContact CB-CB 3.97Å; L147-A191 HydrophobicContact CD1-CB 4.32Å
148K98.1Very high96.7Very high52 Ų5237 Ų3723%0.22618%0.184CC..Hα-helixtrans-66.6-35.5176.2-65.9176.466.7-175.60112.9H144 K145 G152 A191 E352 V354H144-K148 VanDerWaalsContact CE1-CD 3.42Å; H144-K148 WeakPolarHBondContact CE1-CD 3.46Å; H144-K148 WeakPolarHBondContact O-CG 3.38Å; H144-K148 PolarHBondContact O-N 3.3Å; K145-K148 PolarHBondContact O-N 3.37Å; K148-G152 PolarHBondContact O-N 3.28Å; K148-A191 HydrophobicContact CG-CB 4.2Å; K148-E352 WeakPolarHBondContact CE-O 3.43Å; K148-V354 HydrophobicContact CB-CG2 3.89Å; K148-V354 PolarHBondContact O-N 2.85Å
149V98.3Very high96.9Very high29 Ų2938.5 Ų38.518%0.17618%0.184CC..Hα-helixtrans-65.2-45.8172.6169.20000110.4Y122 K145 S146 L147 A151 G152 I153 V354Y122-V149 HydrophobicContact CD1-CG1 4.27Å; Y122-V149 HydrophobicContact CD2-CG1 4.1Å; Y122-V149 HydrophobicContact CE1-CG1 4.06Å; Y122-V149 HydrophobicContact CE2-CG1 3.93Å; Y122-V149 HydrophobicContact CG-CG1 4.29Å; K145-V149 HydrophobicContact CG-CG2 4.45Å; K145-V149 WeakPolarHBondContact O-CG2 3.32Å; K145-V149 PolarHBondContact O-N 2.91Å; S146-V149 PolarHBondContact O-N 2.86Å; L147-V149 VanDerWaalsContact C-N 3.35Å; L147-V149 PolarHBondContact O-N 2.8Å; V149-A151 PolarHBondContact O-N 3.34Å; V149-G152 WeakPolarHBondContact O-CA 3.38Å; V149-G152 PolarHBondContact O-N 3.43Å; V149-G152 VanDerWaalsContact O-N 3.14Å; V149-I153 HydrophobicContact CG1-CD1 3.94Å; V149-I153 HydrophobicContact CG1-CG1 4.49Å; V149-I153 WeakPolarHBondContact O-CG1 3.3Å; V149-I153 PolarHBondContact O-N 3.17Å; V149-V354 HydrophobicContact CG2-CB 4.4Å
150A98.5Very high97Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-58.7-47.7175.800000112A119 T123 S146 L147 G152 I153 F154A119-A150 HydrophobicContact CB-CB 4.37Å; A119-A150 WeakPolarHBondContact O-CB 3.31Å; T123-A150 HydrophobicContact CG2-CB 3.7Å; S146-A150 PolarHBondContact O-N 3.17Å; L147-A150 PolarHBondContact O-N 3.27Å; A150-G152 PolarHBondContact O-N 3.11Å; A150-I153 PolarHBondContact O-N 3.47Å; A150-F154 HydrophobicContact CB-CE2 4.3Å; A150-F154 WeakPolarHBondContact O-CD2 3.43Å; A150-F154 PolarHBondContact O-N 3.25Å
151A98.4Very high97.2Very high0 Ų039.6 Ų39.60%019%0.19CC..Hα-helixtrans-55.7-42.117500000111.7L147 V149 K155 C187 Q188 P353L147-A151 PolarHBondContact O-N 3.09Å; V149-A151 PolarHBondContact O-N 3.34Å; A151-K155 VanDerWaalsContact O-CB 3.28Å; A151-K155 WeakPolarHBondContact O-CB 3.32Å; A151-K155 PolarHBondContact O-N 3.23Å; A151-C187 HydrophobicContact CB-CB 3.64Å; A151-Q188 HydrophobicContact CB-CG 4.42Å; A151-P353 HydrophobicContact CB-CB 3.99Å; A151-P353 HydrophobicContact CB-CG 4.07Å
152G98.3Very high97.2Very high2 Ų235 Ų352%0.02117%0.172CC..Hα-helixtrans-59.4-50.2176.300000113.6K148 V149 A150 K155 T156 V354K148-G152 PolarHBondContact O-N 3.28Å; V149-G152 WeakPolarHBondContact O-CA 3.38Å; V149-G152 PolarHBondContact O-N 3.43Å; V149-G152 VanDerWaalsContact O-N 3.14Å; A150-G152 PolarHBondContact O-N 3.11Å; G152-K155 PolarHBondContact O-N 3.02Å; G152-T156 PolarHBondContact O-N 3.29Å; G152-T156 PolarHBondContact O-OG1 2.89Å; G152-V354 WeakPolarHBondContact CA-O 3.06Å
153I98.6Very high97.3Very high3 Ų336.1 Ų36.12%0.01518%0.183CC..Hα-helixtrans-59.7-52.2177.1-63.6162.6000109.7A115 V118 A119 Y122 V149 A150 K155 T156 L157 F356A115-I153 HydrophobicContact CB-CG2 4.36Å; A115-I153 WeakPolarHBondContact O-CG2 3.44Å; V118-I153 HydrophobicContact CG1-CD1 4.16Å; A119-I153 HydrophobicContact CB-CB 3.85Å; A119-I153 HydrophobicContact CB-CD1 4.21Å; A119-I153 HydrophobicContact CB-CG2 3.79Å; Y122-I153 HydrophobicContact CD2-CD1 4Å; Y122-I153 HydrophobicContact CE2-CD1 4.13Å; V149-I153 HydrophobicContact CG1-CD1 3.94Å; V149-I153 HydrophobicContact CG1-CG1 4.49Å; V149-I153 WeakPolarHBondContact O-CG1 3.3Å; V149-I153 PolarHBondContact O-N 3.17Å; A150-I153 PolarHBondContact O-N 3.47Å; I153-K155 VanDerWaalsContact C-N 3.27Å; I153-K155 PolarHBondContact O-N 3.39Å; I153-T156 PolarHBondContact O-N 2.95Å; I153-L157 HydrophobicContact CG2-CD1 3.81Å; I153-L157 HydrophobicContact CG2-CG 4.13Å; I153-L157 WeakPolarHBondContact O-CB 3.35Å; I153-L157 WeakPolarHBondContact O-CG 3.49Å; I153-L157 PolarHBondContact O-N 3.47Å; I153-F356 HydrophobicContact CB-CB 4.46Å; I153-F356 HydrophobicContact CB-CG 4.28Å; I153-F356 HydrophobicContact CD1-CD2 4.38Å; I153-F356 HydrophobicContact CG1-CB 3.96Å; I153-F356 HydrophobicContact CG1-CD1 4.29Å; I153-F356 HydrophobicContact CG1-CD2 3.52Å; I153-F356 HydrophobicContact CG1-CE2 4.03Å; I153-F356 HydrophobicContact CG1-CG 3.65Å; I153-F356 HydrophobicContact CG2-CD1 4.45Å
154F98.6Very high97.2Very high0 Ų039.8 Ų39.80%020%0.197CC..Hα-helixtrans-57.3-41.6179-68.2-56000112.3F116 A119 V120 T123 A150 L157 K158 M180 Y183 I184F116-F154 AromaticContact CD1-CE1 3.82Å; F116-F154 HydrophobicContact CD1-CE1 3.82Å; F116-F154 AromaticContact CD2-CD1 3.76Å; F116-F154 HydrophobicContact CD2-CD1 3.76Å; F116-F154 AromaticContact CD2-CE1 3.61Å; F116-F154 HydrophobicContact CD2-CE1 3.61Å; F116-F154 AromaticContact CE1-CE1 3.73Å; F116-F154 HydrophobicContact CE1-CE1 3.73Å; F116-F154 HydrophobicContact CE1-CZ 4.37Å; F116-F154 AromaticContact CE2-CD1 3.72Å; F116-F154 HydrophobicContact CE2-CD1 3.72Å; F116-F154 AromaticContact CE2-CE1 3.51Å; F116-F154 HydrophobicContact CE2-CE1 3.51Å; F116-F154 HydrophobicContact CG-CD1 4.28Å; F116-F154 AromaticContact CG-CE1 3.76Å; F116-F154 HydrophobicContact CG-CE1 3.76Å; F116-F154 HydrophobicContact CZ-CD1 4.23Å; F116-F154 AromaticContact CZ-CE1 3.58Å; F116-F154 HydrophobicContact CZ-CE1 3.58Å; F116-F154 HydrophobicContact CZ-CZ 4.38Å; A119-F154 HydrophobicContact CB-CD1 3.92Å; A119-F154 HydrophobicContact CB-CD2 4.01Å; A119-F154 HydrophobicContact CB-CE1 3.55Å; A119-F154 HydrophobicContact CB-CE2 3.65Å; A119-F154 HydrophobicContact CB-CG 4.14Å; A119-F154 HydrophobicContact CB-CZ 3.4Å; A119-F154 VanDerWaalsContact CB-CZ 3.4Å; V120-F154 HydrophobicContact CG2-CE1 4.41Å; V120-F154 HydrophobicContact CG2-CZ 4.01Å; T123-F154 HydrophobicContact CG2-CE2 4.34Å; A150-F154 HydrophobicContact CB-CE2 4.3Å; A150-F154 WeakPolarHBondContact O-CD2 3.43Å; A150-F154 PolarHBondContact O-N 3.25Å; F154-L157 PolarHBondContact O-N 3.49Å; F154-K158 WeakPolarHBondContact O-CB 3.22Å; F154-K158 PolarHBondContact O-N 2.92Å; F154-M180 WeakPolarHBondContact O-CE 3.5Å; F154-Y183 HydrophobicContact CE1-CG 4.31Å; F154-Y183 HydrophobicContact CE2-CD1 4.09Å; F154-Y183 HydrophobicContact CE2-CG 4.11Å; F154-Y183 AromaticContact CZ-CD1 3.97Å; F154-Y183 HydrophobicContact CZ-CD1 3.97Å; F154-Y183 AromaticContact CZ-CG 3.95Å; F154-Y183 HydrophobicContact CZ-CG 3.95Å; F154-I184 HydrophobicContact CB-CD1 4.23Å; F154-I184 HydrophobicContact CB-CG1 3.47Å; F154-I184 VanDerWaalsContact CB-CG1 3.47Å
155K98.1Very high97Very high78 Ų7838.5 Ų38.534%0.33919%0.191SC..Hα-helixtrans-64-52178.1-174.9177.7177.8-177.40112.1A151 G152 I153 L157 K158 E159 I184 P353A151-K155 VanDerWaalsContact O-CB 3.28Å; A151-K155 WeakPolarHBondContact O-CB 3.32Å; A151-K155 PolarHBondContact O-N 3.23Å; G152-K155 PolarHBondContact O-N 3.02Å; I153-K155 VanDerWaalsContact C-N 3.27Å; I153-K155 PolarHBondContact O-N 3.39Å; K155-L157 VanDerWaalsContact C-N 3.3Å; K155-L157 PolarHBondContact O-N 3.36Å; K155-K158 PolarHBondContact O-N 3.3Å; K155-E159 WeakPolarHBondContact CE-OE1 3.19Å; K155-E159 WeakPolarHBondContact CE-OE2 3.3Å; K155-E159 HydrophobicContact CG-CG 4.43Å; K155-E159 WeakPolarHBondContact O-CB 3.44Å; K155-E159 WeakPolarHBondContact O-CG 3.43Å; K155-E159 PolarHBondContact O-N 2.91Å; K155-I184 HydrophobicContact CB-CD1 4.04Å; K155-I184 HydrophobicContact CB-CG1 4.34Å; K155-P353 HydrophobicContact CD-CB 4.33Å; K155-P353 HydrophobicContact CD-CG 4.24Å
156T97.8Very high96.6Very high25 Ų2537.5 Ų37.515%0.15319%0.192CC..Hα-helixtrans-59.1-42.9177.3-61.20000111.1G152 I153 K158 E159 V160 F356G152-T156 PolarHBondContact O-N 3.29Å; G152-T156 PolarHBondContact O-OG1 2.89Å; I153-T156 PolarHBondContact O-N 2.95Å; T156-K158 PolarHBondContact O-N 3.46Å; T156-E159 PolarHBondContact O-N 3.42Å; T156-V160 HydrophobicContact CG2-CB 4.34Å; T156-V160 HydrophobicContact CG2-CG2 4.2Å; T156-V160 VanDerWaalsContact O-CB 3.31Å; T156-V160 WeakPolarHBondContact O-CB 3.43Å; T156-V160 PolarHBondContact O-N 3.39Å; T156-F356 HydrophobicContact CG2-CD1 4.05Å; T156-F356 WeakPolarHBondContact CG2-O 3.03Å; T156-F356 PolarHBondContact OG1-O 3.48Å; T156-F356 VanDerWaalsContact OG1-O 3.08Å
157L97.3Very high96.2Very high1 Ų141.2 Ų41.21%0.00521%0.214CC..Iπ-helixtrans-60-47.3177.5-68.9179.4000111.5V112 A115 F116 I153 F154 K155 H161 V162 M180V112-L157 HydrophobicContact CB-CD2 4.28Å; V112-L157 HydrophobicContact CG1-CD2 4.11Å; A115-L157 HydrophobicContact CB-CD1 3.77Å; A115-L157 HydrophobicContact CB-CD2 3.79Å; A115-L157 HydrophobicContact CB-CG 4.28Å; F116-L157 HydrophobicContact CB-CD1 4.18Å; I153-L157 HydrophobicContact CG2-CD1 3.81Å; I153-L157 HydrophobicContact CG2-CG 4.13Å; I153-L157 WeakPolarHBondContact O-CB 3.35Å; I153-L157 WeakPolarHBondContact O-CG 3.49Å; I153-L157 PolarHBondContact O-N 3.47Å; F154-L157 PolarHBondContact O-N 3.49Å; K155-L157 VanDerWaalsContact C-N 3.3Å; K155-L157 PolarHBondContact O-N 3.36Å; L157-H161 HydrophobicContact CD2-CB 4.27Å; L157-H161 PolarHBondContact O-N 2.94Å; L157-H161 VanDerWaalsContact O-N 3.13Å; L157-V162 WeakPolarHBondContact O-CB 3.47Å; L157-V162 WeakPolarHBondContact O-CG2 3.44Å; L157-V162 PolarHBondContact O-N 3.28Å; L157-M180 HydrophobicContact CB-CE 3.58Å
158K97.1Very high95.9Very high57 Ų5746.1 Ų46.125%0.24825%0.246CC..Iπ-helixtrans-62.2-45.6179.3179.3-172.4154.6178.70112.1F154 K155 T156 P163 M180 D181 I184F154-K158 WeakPolarHBondContact O-CB 3.22Å; F154-K158 PolarHBondContact O-N 2.92Å; K155-K158 PolarHBondContact O-N 3.3Å; T156-K158 PolarHBondContact O-N 3.46Å; K158-P163 WeakPolarHBondContact O-CD 3.46Å; K158-M180 HydrophobicContact CB-CB 4.35Å; K158-M180 HydrophobicContact CB-CE 3.92Å; K158-M180 HydrophobicContact CB-SD 3.84Å; K158-M180 HydrophobicContact CD-CB 4.43Å; K158-M180 HydrophobicContact CG-SD 4.32Å; K158-D181 WeakPolarHBondContact CD-OD1 3.48Å; K158-D181 IonicContact NZ-OD1 3.49Å; K158-D181 PolarHBondContact NZ-OD1 3.38Å; K158-D181 IonicContact NZ-OD2 2.64Å; K158-D181 PolarHBondContact NZ-OD2 3.45Å; K158-I184 HydrophobicContact CD-CD1 4.24Å
159E96.5Very high95.4Very high115 Ų11545 Ų4554%0.53725%0.247SC..Iπ-helixtrans-83.1-34-170.8-69175.4173.700112.8K155 T156K155-E159 WeakPolarHBondContact CE-OE1 3.19Å; K155-E159 WeakPolarHBondContact CE-OE2 3.3Å; K155-E159 HydrophobicContact CG-CG 4.43Å; K155-E159 WeakPolarHBondContact O-CB 3.44Å; K155-E159 WeakPolarHBondContact O-CG 3.43Å; K155-E159 PolarHBondContact O-N 2.91Å; T156-E159 PolarHBondContact O-N 3.42Å
160V94.9Very high95Very high78 Ų7849.1 Ų49.147%0.47326%0.264SS..Iπ-helixtrans-110.5-43.6-169.6-176.80000112.8T156 R164T156-V160 HydrophobicContact CG2-CB 4.34Å; T156-V160 HydrophobicContact CG2-CG2 4.2Å; T156-V160 VanDerWaalsContact O-CB 3.31Å; T156-V160 WeakPolarHBondContact O-CB 3.43Å; T156-V160 PolarHBondContact O-N 3.39Å; V160-R164 WeakPolarHBondContact O-CD 3.28Å
161H94.6Very high94.5Very high11 Ų1154.2 Ų54.25%0.05129%0.286CS..Iπ-helixtrans-100.1-41.4-167.3-63.8-74.2000114.1V112 L157 R164 L358V112-H161 HydrophobicContact CG1-CB 3.43Å; V112-H161 VanDerWaalsContact CG1-CB 3.43Å; L157-H161 HydrophobicContact CD2-CB 4.27Å; L157-H161 PolarHBondContact O-N 2.94Å; L157-H161 VanDerWaalsContact O-N 3.13Å; H161-R164 WeakPolarHBondContact O-CB 3.44Å; H161-R164 PolarHBondContact O-N 3.03Å; H161-R164 VanDerWaalsContact O-N 3.08Å; H161-L358 VanDerWaalsContact CE1-CD1 3.42Å; H161-L358 WeakPolarHBondContact CE1-CD1 3.36Å
162V95.6Very high93.9Very high25 Ų2554.4 Ų54.415%0.15229%0.288CS..G310 helixtrans-59.3-40.7177.4167.80000112.5V112 L157 R164 L165 M180V112-V162 HydrophobicContact CG1-CG2 4.49Å; L157-V162 WeakPolarHBondContact O-CB 3.47Å; L157-V162 WeakPolarHBondContact O-CG2 3.44Å; L157-V162 PolarHBondContact O-N 3.28Å; V162-R164 PolarHBondContact O-N 3.49Å; V162-L165 HydrophobicContact CG1-CD1 4.43Å; V162-L165 WeakPolarHBondContact O-CB 3.41Å; V162-L165 WeakPolarHBondContact O-CG 3.07Å; V162-L165 PolarHBondContact O-N 3.3Å; V162-M180 HydrophobicContact CG2-CE 4.18Å; V162-M180 HydrophobicContact CG2-SD 3.81Å
163P95.6Very high93.7Very high93 Ų9355.2 Ų55.260%0.60429%0.29SS*.G310 helixtrans-62.3-15.2176.2-25.336.8000114.4K158K158-P163 WeakPolarHBondContact O-CD 3.46Å
164R94.1Very high93.6Very high79 Ų7955.1 Ų55.130%0.29829%0.29SS..G310 helixtrans-83.9-12.5177.6-60.3171.857.3-168.8-3113E81 R85 V108 V160 H161 V162 I166E81-R164 IonicContact OE1-CZ 3.1Å; E81-R164 IonicContact OE1-NE 2.91Å; E81-R164 PolarHBondContact OE1-NE 2.86Å; E81-R164 IonicContact OE1-NH2 3.29Å; E81-R164 PolarHBondContact OE1-NH2 2.91Å; R85-R164 PolarHBondContact NH1-O 2.96Å; R85-R164 PolarHBondContact NH2-O 3.22Å; V108-R164 HydrophobicContact CG1-CB 4.24Å; V160-R164 WeakPolarHBondContact O-CD 3.28Å; H161-R164 WeakPolarHBondContact O-CB 3.44Å; H161-R164 PolarHBondContact O-N 3.03Å; H161-R164 VanDerWaalsContact O-N 3.08Å; V162-R164 PolarHBondContact O-N 3.49Å; R164-I166 PolarHBondContact O-N 3.47Å
165L93.8Very high93.4Very high19 Ų1955.2 Ų55.210%0.09929%0.29CS..  trans-66.5130.9177.4-64.7174000110.1V108 F109 V112 V162 L175V108-L165 HydrophobicContact CB-CD2 4.15Å; V108-L165 HydrophobicContact CG1-CD2 3.81Å; V108-L165 HydrophobicContact CG1-CG 4.45Å; F109-L165 HydrophobicContact CB-CD2 3.92Å; V112-L165 HydrophobicContact CG2-CD1 4.37Å; V112-L165 HydrophobicContact CG2-CD2 4.49Å; V162-L165 HydrophobicContact CG1-CD1 4.43Å; V162-L165 WeakPolarHBondContact O-CB 3.41Å; V162-L165 WeakPolarHBondContact O-CG 3.07Å; V162-L165 PolarHBondContact O-N 3.3Å; L165-L175 HydrophobicContact CD1-CD1 4.19Å
166I89Confident93.2Very high117 Ų11752.6 Ų52.660%0.628%0.279SS*.SBendtrans-72-42.1175.7-61.4-179.6000110F86 R164F86-I166 HydrophobicContact CE1-CD1 3.58Å; F86-I166 HydrophobicContact CE1-CG1 4.48Å; F86-I166 HydrophobicContact CE2-CD1 4.47Å; F86-I166 HydrophobicContact CZ-CD1 3.42Å; F86-I166 VanDerWaalsContact CZ-CD1 3.42Å; F86-I166 HydrophobicContact CZ-CG1 4.5Å; R164-I166 PolarHBondContact O-N 3.47Å
167T89.5Confident93Very high82 Ų8254.7 Ų54.750%0.50329%0.293SS..SBendtrans-100.1111.5177.7-54.30000109Q104Q104-T167 PolarHBondContact NE2-O 3.2Å
168P90.6Very high92.9Very high103 Ų10357.8 Ų57.867%0.66931%0.305SS*.PPolyproline II helixtrans-64.5153.6178.328.5-34.5000110.5
169A89.3Confident92.8Very high29 Ų2955.1 Ų55.124%0.2429%0.293CS..PPolyproline II helixtrans-68.6143.4175.100000111.3R173 L175A169-R173 HydrophobicContact CB-CB 4.23Å; A169-L175 HydrophobicContact CB-CB 3.73Å
170E89.4Confident92.8Very high114 Ų11449.7 Ų49.753%0.53327%0.268SS..PPolyproline II helixtrans-67.1162.4175.2-59168.8168.300111.5G172 R173E170-G172 PolarHBondContact O-N 3.48Å; E170-R173 HydrophobicContact CB-CG 3.8Å; E170-R173 VanDerWaalsContact O-CB 3.29Å; E170-R173 WeakPolarHBondContact O-CB 3.45Å; E170-R173 VanDerWaalsContact O-CG 3.26Å; E170-R173 WeakPolarHBondContact O-CG 3.47Å; E170-R173 PolarHBondContact O-N 3.18Å; E170-R173 IonicContact OE2-CZ 2.68Å; E170-R173 IonicContact OE2-NE 3.52Å; E170-R173 PolarHBondContact OE2-NE 3.38Å; E170-R173 IonicContact OE2-NH2 3.84Å; E170-R173 PolarHBondContact OE2-NH2 3.11Å
171K88.4Confident92.9Very high108 Ų10848 Ų4847%0.4726%0.257SS..THydrogen-bonded Turntrans-58.7133.1179-177175.2179.9-165.30111.9R173 E176 T229 L230K171-R173 VanDerWaalsContact C-N 3.27Å; K171-R173 PolarHBondContact O-N 3.44Å; K171-E176 VanDerWaalsContact CA-OE2 3.25Å; K171-E176 WeakPolarHBondContact CA-OE2 3.06Å; K171-T229 VanDerWaalsContact CE-O 3.29Å; K171-T229 WeakPolarHBondContact CE-O 3.42Å; K171-T229 PolarHBondContact NZ-O 3.24Å; K171-L230 HydrophobicContact CG-CD2 4.38Å
172G85.9Confident93.1Very high3 Ų347.5 Ų47.53%0.03125%0.254CS..THydrogen-bonded Turntrans76.47178.500000115.3Q97 E170Q97-G172 PolarHBondContact NE2-O 3.31Å; E170-G172 PolarHBondContact O-N 3.48Å
173R93.3Very high93.2Very high20 Ų2046.7 Ų46.78%0.07525%0.248CC..SBendtrans-82.5161.1168.6-59.9-78.7178.9-176.80.3110.6D94 I100 A169 E170 K171 L175 E176 V179D94-R173 VanDerWaalsContact CG-CD 3.46Å; D94-R173 WeakPolarHBondContact OD2-CD 3.25Å; D94-R173 IonicContact OD2-CZ 2.71Å; D94-R173 IonicContact OD2-NE 3.77Å; D94-R173 IonicContact OD2-NH1 3.25Å; D94-R173 PolarHBondContact OD2-NH1 3.23Å; I100-R173 PolarHBondContact O-NH1 2.92Å; A169-R173 HydrophobicContact CB-CB 4.23Å; E170-R173 HydrophobicContact CB-CG 3.8Å; E170-R173 VanDerWaalsContact O-CB 3.29Å; E170-R173 WeakPolarHBondContact O-CB 3.45Å; E170-R173 VanDerWaalsContact O-CG 3.26Å; E170-R173 WeakPolarHBondContact O-CG 3.47Å; E170-R173 PolarHBondContact O-N 3.18Å; E170-R173 IonicContact OE2-CZ 2.68Å; E170-R173 IonicContact OE2-NE 3.52Å; E170-R173 PolarHBondContact OE2-NE 3.38Å; E170-R173 IonicContact OE2-NH2 3.84Å; E170-R173 PolarHBondContact OE2-NH2 3.11Å; K171-R173 VanDerWaalsContact C-N 3.27Å; K171-R173 PolarHBondContact O-N 3.44Å; R173-L175 VanDerWaalsContact C-N 3.28Å; R173-L175 PolarHBondContact O-N 3.49Å; R173-E176 WeakPolarHBondContact O-CB 3.38Å; R173-E176 PolarHBondContact O-N 2.98Å; R173-V179 WeakPolarHBondContact O-CG2 3.05Å
174D95.5Very high93.4Very high0 Ų042.9 Ų42.90%022%0.223CC..THydrogen-bonded Turntrans-64.2-33.1-173.1-71.6-27.2000113.9K11 D94 T95 F116 E176 M180K11-D174 VanDerWaalsContact CD-OD2 3.24Å; K11-D174 WeakPolarHBondContact CD-OD2 3.41Å; K11-D174 WeakPolarHBondContact CG-OD2 3.29Å; K11-D174 IonicContact NZ-OD2 2.85Å; K11-D174 PolarHBondContact NZ-OD2 3.38Å; D94-D174 WeakPolarHBondContact CA-OD2 3.4Å; D94-D174 HydrophobicContact CB-CB 4.47Å; D94-D174 WeakPolarHBondContact OD1-CB 3.3Å; D94-D174 PolarHBondContact OD1-N 3.19Å; T95-D174 WeakPolarHBondContact CB-OD1 2.98Å; T95-D174 WeakPolarHBondContact CG2-OD1 3.4Å; T95-D174 WeakPolarHBondContact CG2-OD2 3.43Å; T95-D174 VanDerWaalsContact N-CG 3.32Å; T95-D174 PolarHBondContact N-OD1 2.91Å; T95-D174 PolarHBondContact N-OD2 3.07Å; T95-D174 PolarHBondContact OG1-OD1 2.97Å; F116-D174 HydrophobicContact CD1-CB 4.31Å; F116-D174 HydrophobicContact CD2-CB 4.22Å; F116-D174 HydrophobicContact CE1-CB 3.87Å; F116-D174 HydrophobicContact CE2-CB 3.77Å; F116-D174 WeakPolarHBondContact CE2-O 3.4Å; F116-D174 HydrophobicContact CG-CB 4.48Å; F116-D174 HydrophobicContact CZ-CB 3.57Å; D174-E176 PolarHBondContact O-N 3Å; D174-M180 WeakPolarHBondContact O-CG 3.31Å
175L95.2Very high93.6Very high3 Ų339.6 Ų39.62%0.01621%0.211CC..THydrogen-bonded Turntrans-84.83.5-177-54.1178.7000112.7F109 V112 F116 L165 A169 R173F109-L175 HydrophobicContact CD2-CD1 3.75Å; F109-L175 HydrophobicContact CE2-CD1 3.73Å; V112-L175 HydrophobicContact CB-CD2 4.14Å; V112-L175 HydrophobicContact CG2-CD1 3.53Å; V112-L175 HydrophobicContact CG2-CD2 3.81Å; V112-L175 HydrophobicContact CG2-CG 4.31Å; F116-L175 HydrophobicContact CD2-CD2 4.28Å; L165-L175 HydrophobicContact CD1-CD1 4.19Å; A169-L175 HydrophobicContact CB-CB 3.73Å; R173-L175 VanDerWaalsContact C-N 3.28Å; R173-L175 PolarHBondContact O-N 3.49Å
176E92.9Very high93.8Very high22 Ų2239 Ų3910%0.10321%0.207CC..SBendtrans-76.8139.2170.3-173.4-174.178.500110.4K171 R173 D174 R178 V179 M180 L230K171-E176 VanDerWaalsContact CA-OE2 3.25Å; K171-E176 WeakPolarHBondContact CA-OE2 3.06Å; R173-E176 WeakPolarHBondContact O-CB 3.38Å; R173-E176 PolarHBondContact O-N 2.98Å; D174-E176 PolarHBondContact O-N 3Å; E176-R178 VanDerWaalsContact C-N 3.27Å; E176-R178 PolarHBondContact O-N 3.02Å; E176-R178 IonicContact OE1-CZ 2.73Å; E176-R178 VanDerWaalsContact OE1-CZ 3.24Å; E176-R178 IonicContact OE1-NE 3.17Å; E176-R178 PolarHBondContact OE1-NE 2.73Å; E176-R178 IonicContact OE1-NH2 2.78Å; E176-R178 PolarHBondContact OE1-NH2 3.47Å; E176-R178 IonicContact OE2-CZ 3.11Å; E176-R178 IonicContact OE2-NE 3.27Å; E176-R178 IonicContact OE2-NH2 3.38Å; E176-R178 PolarHBondContact OE2-NH2 3.45Å; E176-V179 PolarHBondContact O-N 3.03Å; E176-V179 VanDerWaalsContact O-N 3.09Å; E176-M180 PolarHBondContact O-N 2.55Å; E176-L230 WeakPolarHBondContact OE1-CD2 3.42Å
177P93.9Very high94.2Very high70 Ų7033.4 Ų33.446%0.45518%0.179SC..Hα-helixtrans-50.3-38.1-176.3-31.836.1000115.8M180 D181P177-M180 PolarHBondContact O-N 2.69Å; P177-D181 VanDerWaalsContact O-CB 3.32Å; P177-D181 WeakPolarHBondContact O-CB 3.46Å; P177-D181 PolarHBondContact O-N 2.86Å
178R94.9Very high94.6Very high66 Ų6630.6 Ų30.625%0.24916%0.16CC..Hα-helixtrans-64.3-43.7-179.1-71.4177.8-73-147.9-12.8112.6E176 A182 T226 T229E176-R178 VanDerWaalsContact C-N 3.27Å; E176-R178 PolarHBondContact O-N 3.02Å; E176-R178 IonicContact OE1-CZ 2.73Å; E176-R178 VanDerWaalsContact OE1-CZ 3.24Å; E176-R178 IonicContact OE1-NE 3.17Å; E176-R178 PolarHBondContact OE1-NE 2.73Å; E176-R178 IonicContact OE1-NH2 2.78Å; E176-R178 PolarHBondContact OE1-NH2 3.47Å; E176-R178 IonicContact OE2-CZ 3.11Å; E176-R178 IonicContact OE2-NE 3.27Å; E176-R178 IonicContact OE2-NH2 3.38Å; E176-R178 PolarHBondContact OE2-NH2 3.45Å; R178-A182 WeakPolarHBondContact O-CB 3.26Å; R178-A182 PolarHBondContact O-N 3.12Å; R178-T226 HydrophobicContact CB-CG2 4.07Å; R178-T226 HydrophobicContact CG-CG2 4.37Å; R178-T226 WeakPolarHBondContact O-CG2 3.47Å; R178-T229 VanDerWaalsContact CD-OG1 3.26Å; R178-T229 WeakPolarHBondContact CD-OG1 3.43Å; R178-T229 PolarHBondContact NH1-OG1 2.73Å
179V95.9Very high95Very high0 Ų025.7 Ų25.70%013%0.128CC..Hα-helixtrans-68-44179.5177.90000109.5L96 R173 E176 A182 Y183 L230 W238L96-V179 HydrophobicContact CD1-CG1 4.47Å; L96-V179 HydrophobicContact CD1-CG2 4.02Å; R173-V179 WeakPolarHBondContact O-CG2 3.05Å; E176-V179 PolarHBondContact O-N 3.03Å; E176-V179 VanDerWaalsContact O-N 3.09Å; V179-A182 PolarHBondContact O-N 3.4Å; V179-Y183 HydrophobicContact CG1-CD2 3.8Å; V179-Y183 HydrophobicContact CG1-CE2 3.62Å; V179-Y183 VanDerWaalsContact O-CD2 3.24Å; V179-Y183 WeakPolarHBondContact O-CD2 3.42Å; V179-Y183 PolarHBondContact O-N 3.41Å; V179-L230 HydrophobicContact CG2-CD1 3.83Å; V179-W238 HydrophobicContact CG1-CH2 4.47Å; V179-W238 HydrophobicContact CG1-CZ3 4.22Å
180M96.9Very high95.4Very high1 Ų124.3 Ų24.31%0.00512%0.117CC..Hα-helixtrans-61.8-45.3176.9-59.4-168.283.400112.4F116 F154 L157 K158 V162 D174 E176 P177 A182 Y183 I184F116-M180 HydrophobicContact CD2-CE 4.33Å; F116-M180 HydrophobicContact CE2-CG 4.27Å; F154-M180 WeakPolarHBondContact O-CE 3.5Å; L157-M180 HydrophobicContact CB-CE 3.58Å; K158-M180 HydrophobicContact CB-CB 4.35Å; K158-M180 HydrophobicContact CB-CE 3.92Å; K158-M180 HydrophobicContact CB-SD 3.84Å; K158-M180 HydrophobicContact CD-CB 4.43Å; K158-M180 HydrophobicContact CG-SD 4.32Å; V162-M180 HydrophobicContact CG2-CE 4.18Å; V162-M180 HydrophobicContact CG2-SD 3.81Å; D174-M180 WeakPolarHBondContact O-CG 3.31Å; E176-M180 PolarHBondContact O-N 2.55Å; P177-M180 PolarHBondContact O-N 2.69Å; M180-A182 VanDerWaalsContact C-N 3.34Å; M180-A182 PolarHBondContact O-N 3.38Å; M180-Y183 PolarHBondContact O-N 2.81Å; M180-I184 VanDerWaalsContact O-CG1 3.26Å; M180-I184 WeakPolarHBondContact O-CG1 3.45Å; M180-I184 PolarHBondContact O-N 2.92Å
181D97.4Very high95.8Very high44 Ų4418.9 Ų18.924%0.2359%0.091CC..Hα-helixtrans-61.3-42.5177.4-83.1-33000112.2K158 P177 Y183 I184 I185 T226K158-D181 WeakPolarHBondContact CD-OD1 3.48Å; K158-D181 IonicContact NZ-OD1 3.49Å; K158-D181 PolarHBondContact NZ-OD1 3.38Å; K158-D181 IonicContact NZ-OD2 2.64Å; K158-D181 PolarHBondContact NZ-OD2 3.45Å; P177-D181 VanDerWaalsContact O-CB 3.32Å; P177-D181 WeakPolarHBondContact O-CB 3.46Å; P177-D181 PolarHBondContact O-N 2.86Å; D181-Y183 VanDerWaalsContact C-N 3.33Å; D181-Y183 PolarHBondContact O-N 3.35Å; D181-I184 PolarHBondContact O-N 2.99Å; D181-I185 WeakPolarHBondContact O-CB 3.16Å; D181-I185 WeakPolarHBondContact O-CD1 3.37Å; D181-I185 WeakPolarHBondContact O-CG1 3.46Å; D181-I185 PolarHBondContact O-N 2.85Å; D181-T226 HydrophobicContact CB-CG2 3.78Å
182A97.8Very high96.1Very high0 Ų013.7 Ų13.70%07%0.069CC..Hα-helixtrans-61.9-40.7175.700000111.9R178 V179 M180 Q186 L227 W238R178-A182 WeakPolarHBondContact O-CB 3.26Å; R178-A182 PolarHBondContact O-N 3.12Å; V179-A182 PolarHBondContact O-N 3.4Å; M180-A182 VanDerWaalsContact C-N 3.34Å; M180-A182 PolarHBondContact O-N 3.38Å; A182-Q186 WeakPolarHBondContact O-CB 3.37Å; A182-Q186 PolarHBondContact O-N 3.39Å; A182-L227 HydrophobicContact CB-CD1 3.94Å; A182-L227 HydrophobicContact CB-CD2 3.56Å; A182-L227 HydrophobicContact CB-CG 3.67Å; A182-W238 HydrophobicContact CB-CH2 3.48Å; A182-W238 VanDerWaalsContact CB-CH2 3.48Å; A182-W238 HydrophobicContact CB-CZ2 3.78Å; A182-W238 HydrophobicContact CB-CZ3 4.17Å
183Y98.4Very high96.6Very high8 Ų813.6 Ų13.63%0.0317%0.068CC..Hα-helixtrans-65.1-43.8174-85.4-67.5000113.1N8 T95 F116 F154 V179 M180 D181 Q186 C187 W238N8-Y183 VanDerWaalsContact CB-OH 3.32Å; N8-Y183 WeakPolarHBondContact CB-OH 3.4Å; N8-Y183 PolarHBondContact ND2-OH 3.06Å; T95-Y183 WeakPolarHBondContact CB-OH 3.39Å; T95-Y183 WeakPolarHBondContact CG2-OH 3.27Å; T95-Y183 PolarHBondContact OG1-OH 3.26Å; F116-Y183 HydrophobicContact CE1-CD2 4.4Å; F116-Y183 HydrophobicContact CE1-CE2 4.07Å; F116-Y183 HydrophobicContact CE2-CD2 4.29Å; F116-Y183 AromaticContact CZ-CD2 3.55Å; F116-Y183 HydrophobicContact CZ-CD2 3.55Å; F116-Y183 AromaticContact CZ-CE2 3.52Å; F116-Y183 HydrophobicContact CZ-CE2 3.52Å; F116-Y183 HydrophobicContact CZ-CG 4.4Å; F154-Y183 HydrophobicContact CE1-CG 4.31Å; F154-Y183 HydrophobicContact CE2-CD1 4.09Å; F154-Y183 HydrophobicContact CE2-CG 4.11Å; F154-Y183 AromaticContact CZ-CD1 3.97Å; F154-Y183 HydrophobicContact CZ-CD1 3.97Å; F154-Y183 AromaticContact CZ-CG 3.95Å; F154-Y183 HydrophobicContact CZ-CG 3.95Å; V179-Y183 HydrophobicContact CG1-CD2 3.8Å; V179-Y183 HydrophobicContact CG1-CE2 3.62Å; V179-Y183 VanDerWaalsContact O-CD2 3.24Å; V179-Y183 WeakPolarHBondContact O-CD2 3.42Å; V179-Y183 PolarHBondContact O-N 3.41Å; M180-Y183 PolarHBondContact O-N 2.81Å; D181-Y183 VanDerWaalsContact C-N 3.33Å; D181-Y183 PolarHBondContact O-N 3.35Å; Y183-Q186 PolarHBondContact O-N 3.27Å; Y183-C187 WeakPolarHBondContact O-CB 3.45Å; Y183-C187 PolarHBondContact O-N 2.97Å; Y183-C187 PolarHBondContact O-SG 2.8Å; Y183-W238 HydrophobicContact CD1-CH2 4.37Å; Y183-W238 HydrophobicContact CD1-CZ2 4.28Å; Y183-W238 AromaticContact CD2-CH2 3.75Å; Y183-W238 HydrophobicContact CD2-CH2 3.75Å; Y183-W238 HydrophobicContact CD2-CZ2 4.44Å; Y183-W238 HydrophobicContact CE1-CH2 4.35Å; Y183-W238 HydrophobicContact CE1-CZ2 4.31Å; Y183-W238 AromaticContact CE2-CH2 3.72Å; Y183-W238 HydrophobicContact CE2-CH2 3.72Å; Y183-W238 HydrophobicContact CE2-CZ2 4.46Å; Y183-W238 HydrophobicContact CE2-CZ3 4.21Å; Y183-W238 HydrophobicContact CG-CH2 4.07Å; Y183-W238 HydrophobicContact CG-CZ2 4.34Å
184I98.5Very high96.7Very high12 Ų1213.2 Ų13.26%0.0627%0.068CC..Hα-helixtrans-58.2-53.2177.3-66.7161.1000109.5F154 K155 K158 M180 D181 Q186 C187 Q188F154-I184 HydrophobicContact CB-CD1 4.23Å; F154-I184 HydrophobicContact CB-CG1 3.47Å; F154-I184 VanDerWaalsContact CB-CG1 3.47Å; K155-I184 HydrophobicContact CB-CD1 4.04Å; K155-I184 HydrophobicContact CB-CG1 4.34Å; K158-I184 HydrophobicContact CD-CD1 4.24Å; M180-I184 VanDerWaalsContact O-CG1 3.26Å; M180-I184 WeakPolarHBondContact O-CG1 3.45Å; M180-I184 PolarHBondContact O-N 2.92Å; D181-I184 PolarHBondContact O-N 2.99Å; I184-Q186 PolarHBondContact O-N 2.8Å; I184-C187 PolarHBondContact O-N 3.44Å; I184-Q188 WeakPolarHBondContact O-CG 3.46Å; I184-Q188 PolarHBondContact O-N 2.95Å; I184-Q188 VanDerWaalsContact O-N 3.13Å
185I98.3Very high96.6Very high10 Ų1014.6 Ų14.65%0.0518%0.076CC..Hα-helixtrans-66.3-40.5-176.3-62.5162.6000110.8D181 C187 Q188 A189 F219 K222 A223D181-I185 WeakPolarHBondContact O-CB 3.16Å; D181-I185 WeakPolarHBondContact O-CD1 3.37Å; D181-I185 WeakPolarHBondContact O-CG1 3.46Å; D181-I185 PolarHBondContact O-N 2.85Å; I185-C187 PolarHBondContact O-N 3.13Å; I185-Q188 PolarHBondContact O-N 2.95Å; I185-A189 WeakPolarHBondContact O-CB 3.32Å; I185-A189 PolarHBondContact O-N 3Å; I185-F219 HydrophobicContact CG2-CB 3.89Å; I185-F219 HydrophobicContact CG2-CD1 4.05Å; I185-F219 HydrophobicContact CG2-CG 4.41Å; I185-F219 WeakPolarHBondContact CG2-O 3.49Å; I185-K222 HydrophobicContact CD1-CB 4.48Å; I185-K222 HydrophobicContact CD1-CD 3.83Å; I185-K222 HydrophobicContact CD1-CG 3.88Å; I185-K222 HydrophobicContact CG2-CB 4.47Å; I185-A223 HydrophobicContact CB-CB 4.15Å; I185-A223 HydrophobicContact CG2-CB 3.88Å
186Q98.4Very high96.6Very high6 Ų614.6 Ų14.63%0.0288%0.076CC..Hα-helixtrans-61.1-44.7175.2175176.4-29.100111.6H6 A182 Y183 I184 Q188 A189 E190 W238 Y241 L242H6-Q186 PolarHBondContact O-NE2 3.25Å; A182-Q186 WeakPolarHBondContact O-CB 3.37Å; A182-Q186 PolarHBondContact O-N 3.39Å; Y183-Q186 PolarHBondContact O-N 3.27Å; I184-Q186 PolarHBondContact O-N 2.8Å; Q186-Q188 VanDerWaalsContact C-N 3.27Å; Q186-Q188 PolarHBondContact O-N 3.29Å; Q186-A189 PolarHBondContact O-N 3.26Å; Q186-E190 HydrophobicContact CG-CG 4.09Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.27Å; Q186-E190 PolarHBondContact NE2-OE1 3.35Å; Q186-E190 WeakPolarHBondContact O-CB 3.46Å; Q186-E190 VanDerWaalsContact O-CG 3.32Å; Q186-E190 WeakPolarHBondContact O-CG 3.33Å; Q186-E190 PolarHBondContact O-N 3.15Å; Q186-W238 VanDerWaalsContact OE1-CE2 3.3Å; Q186-Y241 HydrophobicContact CG-CE1 4.48Å; Q186-L242 HydrophobicContact CB-CD2 4.5Å
187C98.6Very high96.6Very high1 Ų114 Ų141%0.0078%0.075CC..Hα-helixtrans-61.1-39178.8-70.20000111.7T123 L147 A151 Y183 I184 I185 A191T123-C187 VanDerWaalsContact CG2-SG 3.59Å; L147-C187 WeakPolarHBondContact O-CB 3.46Å; A151-C187 HydrophobicContact CB-CB 3.64Å; Y183-C187 WeakPolarHBondContact O-CB 3.45Å; Y183-C187 PolarHBondContact O-N 2.97Å; Y183-C187 PolarHBondContact O-SG 2.8Å; I184-C187 PolarHBondContact O-N 3.44Å; I185-C187 PolarHBondContact O-N 3.13Å; C187-A191 WeakPolarHBondContact O-CB 3.44Å; C187-A191 PolarHBondContact O-N 3.03Å
188Q97.8Very high96.5Very high22 Ų2214.2 Ų14.210%0.1037%0.067CC..Hα-helixtrans-64.6-47173.8-65.9-179.3-87.400111.6A151 I184 I185 Q186 E190 A191 Q192 A351 P353A151-Q188 HydrophobicContact CB-CG 4.42Å; I184-Q188 WeakPolarHBondContact O-CG 3.46Å; I184-Q188 PolarHBondContact O-N 2.95Å; I184-Q188 VanDerWaalsContact O-N 3.13Å; I185-Q188 PolarHBondContact O-N 2.95Å; Q186-Q188 VanDerWaalsContact C-N 3.27Å; Q186-Q188 PolarHBondContact O-N 3.29Å; Q188-E190 PolarHBondContact O-N 3.19Å; Q188-A191 PolarHBondContact O-N 3.32Å; Q188-Q192 WeakPolarHBondContact O-CB 3.35Å; Q188-Q192 PolarHBondContact O-N 3.37Å; Q188-A351 PolarHBondContact NE2-O 3.37Å; Q188-P353 HydrophobicContact CG-CG 4.35Å
189A97.9Very high96.3Very high0 Ų011.4 Ų11.40%06%0.058CC..Hα-helixtrans-60.2-46.1178.900000112I185 Q186 A191 Q192 E193 F219 Y220I185-A189 WeakPolarHBondContact O-CB 3.32Å; I185-A189 PolarHBondContact O-N 3Å; Q186-A189 PolarHBondContact O-N 3.26Å; A189-A191 PolarHBondContact O-N 3.04Å; A189-Q192 VanDerWaalsContact O-CB 3.29Å; A189-Q192 WeakPolarHBondContact O-CB 3.4Å; A189-Q192 PolarHBondContact O-N 3.2Å; A189-Q192 VanDerWaalsContact O-N 3.16Å; A189-E193 WeakPolarHBondContact O-CG 3.12Å; A189-E193 PolarHBondContact O-N 3.06Å; A189-F219 HydrophobicContact CB-CB 3.72Å; A189-Y220 HydrophobicContact CB-CD1 4.03Å; A189-Y220 HydrophobicContact CB-CD2 3.87Å; A189-Y220 HydrophobicContact CB-CE1 3.77Å; A189-Y220 HydrophobicContact CB-CE2 3.62Å; A189-Y220 HydrophobicContact CB-CG 4.07Å
190E98.1Very high96.2Very high0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-65.3-37.9178.4-70.6179.4176.200112.2F5 R7 L147 Q186 Q188 Q192 E193 Y220 Y241F5-E190 HydrophobicContact CD1-CB 4.1Å; F5-E190 HydrophobicContact CD1-CG 3.6Å; F5-E190 HydrophobicContact CE1-CB 3.84Å; F5-E190 HydrophobicContact CE1-CG 3.82Å; F5-E190 HydrophobicContact CE2-CB 4.47Å; F5-E190 HydrophobicContact CG-CG 4.08Å; F5-E190 HydrophobicContact CZ-CB 4.05Å; F5-E190 HydrophobicContact CZ-CG 4.45Å; R7-E190 IonicContact CZ-OE1 3.94Å; R7-E190 IonicContact CZ-OE2 3.54Å; R7-E190 VanDerWaalsContact CZ-OE2 3.27Å; R7-E190 VanDerWaalsContact NH1-CD 3.29Å; R7-E190 IonicContact NH1-OE1 3.91Å; R7-E190 PolarHBondContact NH1-OE1 2.98Å; R7-E190 IonicContact NH1-OE2 3.43Å; R7-E190 PolarHBondContact NH1-OE2 3.3Å; R7-E190 IonicContact NH2-OE1 3.05Å; R7-E190 IonicContact NH2-OE2 2.75Å; R7-E190 PolarHBondContact NH2-OE2 3.44Å; L147-E190 HydrophobicContact CD1-CB 3.73Å; L147-E190 HydrophobicContact CD2-CB 4.13Å; L147-E190 VanDerWaalsContact CD2-OE2 3.25Å; L147-E190 WeakPolarHBondContact CD2-OE2 3.25Å; Q186-E190 HydrophobicContact CG-CG 4.09Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.27Å; Q186-E190 PolarHBondContact NE2-OE1 3.35Å; Q186-E190 WeakPolarHBondContact O-CB 3.46Å; Q186-E190 VanDerWaalsContact O-CG 3.32Å; Q186-E190 WeakPolarHBondContact O-CG 3.33Å; Q186-E190 PolarHBondContact O-N 3.15Å; Q188-E190 PolarHBondContact O-N 3.19Å; E190-Q192 VanDerWaalsContact C-N 3.32Å; E190-E193 WeakPolarHBondContact O-CB 3.39Å; E190-E193 PolarHBondContact O-N 3.4Å; E190-Y220 VanDerWaalsContact CG-OH 3.31Å; E190-Y220 WeakPolarHBondContact CG-OH 3.33Å; E190-Y241 PolarHBondContact OE1-OH 3.17Å
191A97.2Very high95.8Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-65.3-39.6173.100000110.8H144 L147 K148 C187 Q188 A189 E193 V194 T195 A351H144-A191 PolarHBondContact CD2-O 3.45Å; L147-A191 HydrophobicContact CB-CB 3.97Å; L147-A191 HydrophobicContact CD1-CB 4.32Å; K148-A191 HydrophobicContact CG-CB 4.2Å; C187-A191 WeakPolarHBondContact O-CB 3.44Å; C187-A191 PolarHBondContact O-N 3.03Å; Q188-A191 PolarHBondContact O-N 3.32Å; A189-A191 PolarHBondContact O-N 3.04Å; A191-E193 VanDerWaalsContact C-N 3.26Å; A191-E193 PolarHBondContact O-N 3.33Å; A191-V194 WeakPolarHBondContact O-CB 3.38Å; A191-V194 PolarHBondContact O-N 2.87Å; A191-T195 PolarHBondContact O-N 3.03Å; A191-T195 VanDerWaalsContact O-N 3.17Å; A191-T195 PolarHBondContact O-OG1 3.31Å; A191-A351 HydrophobicContact CB-CB 3.73Å
192Q95.5Very high95.6Very high0 Ų021.2 Ų21.20%011%0.105CC..Hα-helixtrans-61.8-33.4176.9-156.165.321.900112.3Q188 A189 E190 V194 T195 I196 T216 G349Q188-Q192 WeakPolarHBondContact O-CB 3.35Å; Q188-Q192 PolarHBondContact O-N 3.37Å; A189-Q192 VanDerWaalsContact O-CB 3.29Å; A189-Q192 WeakPolarHBondContact O-CB 3.4Å; A189-Q192 PolarHBondContact O-N 3.2Å; A189-Q192 VanDerWaalsContact O-N 3.16Å; E190-Q192 VanDerWaalsContact C-N 3.32Å; Q192-V194 VanDerWaalsContact C-N 3.28Å; Q192-V194 PolarHBondContact O-N 3.22Å; Q192-T195 WeakPolarHBondContact O-CB 3.05Å; Q192-T195 PolarHBondContact O-N 3.03Å; Q192-T195 VanDerWaalsContact O-N 3.16Å; Q192-I196 WeakPolarHBondContact O-CG1 3.41Å; Q192-I196 PolarHBondContact O-N 3.14Å; Q192-T216 HydrophobicContact CB-CG2 4.31Å; Q192-T216 WeakPolarHBondContact CB-OG1 3.3Å; Q192-T216 WeakPolarHBondContact CG-OG1 3.29Å; Q192-G349 PolarHBondContact NE2-O 3.35Å; Q192-G349 PolarHBondContact OE1-O 3.08Å
193E96.3Very high95.4Very high0 Ų030.2 Ų30.20%015%0.145CC..Hα-helixtrans-57.5-41.9172.4-57.2-159.5-160.500112.2H3 F5 A189 E190 A191 T195 I196 A197 T216 Y220 K245 Y249H3-E193 PolarHBondContact CE1-O 3.04Å; H3-E193 IonicContact ND1-OE2 2.72Å; H3-E193 PolarHBondContact ND1-OE2 2.68Å; F5-E193 HydrophobicContact CE1-CB 4.5Å; F5-E193 HydrophobicContact CE1-CG 4.35Å; A189-E193 WeakPolarHBondContact O-CG 3.12Å; A189-E193 PolarHBondContact O-N 3.06Å; E190-E193 WeakPolarHBondContact O-CB 3.39Å; E190-E193 PolarHBondContact O-N 3.4Å; A191-E193 VanDerWaalsContact C-N 3.26Å; A191-E193 PolarHBondContact O-N 3.33Å; E193-T195 VanDerWaalsContact C-N 3.34Å; E193-I196 PolarHBondContact O-N 2.94Å; E193-A197 WeakPolarHBondContact O-CB 3.42Å; E193-A197 PolarHBondContact O-N 3.08Å; E193-T216 HydrophobicContact CG-CG2 4.34Å; E193-Y220 PolarHBondContact OE1-OH 3.08Å; E193-K245 VanDerWaalsContact CD-NZ 3.27Å; E193-K245 WeakPolarHBondContact OE1-CD 3.41Å; E193-K245 VanDerWaalsContact OE1-CE 3.32Å; E193-K245 WeakPolarHBondContact OE1-CE 3.4Å; E193-K245 IonicContact OE1-NZ 3.24Å; E193-K245 PolarHBondContact OE1-NZ 3.48Å; E193-K245 IonicContact OE2-NZ 3.45Å; E193-K245 PolarHBondContact OE2-NZ 3.41Å; E193-Y249 WeakPolarHBondContact CB-OH 3.49Å; E193-Y249 HydrophobicContact CG-CE1 4.28Å; E193-Y249 HydrophobicContact CG-CE2 3.49Å; E193-Y249 VanDerWaalsContact CG-CE2 3.49Å; E193-Y249 WeakPolarHBondContact CG-OH 3.42Å; E193-Y249 WeakPolarHBondContact OE1-CE2 3.48Å; E193-Y249 WeakPolarHBondContact OE2-CE2 3.44Å; E193-Y249 PolarHBondContact OE2-OH 3.22Å
194V94.8Very high95.1Very high13 Ų1334.2 Ų34.28%0.07916%0.163CC..Hα-helixtrans-67.3-39.7177.9-174.10000110.2A140 V143 H144 A191 Q192 A197 R198A140-V194 HydrophobicContact CB-CG1 4.33Å; V143-V194 HydrophobicContact CB-CG2 4.48Å; V143-V194 HydrophobicContact CG1-CG2 3.72Å; H144-V194 HydrophobicContact CB-CB 4.31Å; H144-V194 HydrophobicContact CB-CG1 4.08Å; A191-V194 WeakPolarHBondContact O-CB 3.38Å; A191-V194 PolarHBondContact O-N 2.87Å; Q192-V194 VanDerWaalsContact C-N 3.28Å; Q192-V194 PolarHBondContact O-N 3.22Å; V194-A197 PolarHBondContact O-N 2.93Å; V194-R198 PolarHBondContact O-N 3.23Å
195T94.3Very high94.9Very high29 Ų2938.6 Ų38.618%0.17819%0.187CC..Hα-helixtrans-61.3-44.6174.4-56.20000111.7A191 Q192 E193 R198 A199 L212 G349A191-T195 PolarHBondContact O-N 3.03Å; A191-T195 VanDerWaalsContact O-N 3.17Å; A191-T195 PolarHBondContact O-OG1 3.31Å; Q192-T195 WeakPolarHBondContact O-CB 3.05Å; Q192-T195 PolarHBondContact O-N 3.03Å; Q192-T195 VanDerWaalsContact O-N 3.16Å; E193-T195 VanDerWaalsContact C-N 3.34Å; T195-R198 PolarHBondContact O-N 3.44Å; T195-A199 WeakPolarHBondContact O-CB 3.11Å; T195-A199 PolarHBondContact O-N 3.31Å; T195-L212 HydrophobicContact CG2-CD1 4.45Å; T195-G349 WeakPolarHBondContact CG2-O 3.47Å
196I95.1Very high94.7Very high3 Ų339 Ų392%0.01519%0.192CC..Hα-helixtrans-60.4-47.3175.9-70.3163.2000110.4Q192 E193 R198 A199 I200 I209 L212 A213 T216 Y249Q192-I196 WeakPolarHBondContact O-CG1 3.41Å; Q192-I196 PolarHBondContact O-N 3.14Å; E193-I196 PolarHBondContact O-N 2.94Å; I196-R198 VanDerWaalsContact C-N 3.28Å; I196-R198 PolarHBondContact O-N 2.82Å; I196-A199 PolarHBondContact O-N 3.47Å; I196-A199 VanDerWaalsContact O-N 3.15Å; I196-I200 HydrophobicContact CG2-CD1 3.79Å; I196-I200 HydrophobicContact CG2-CG1 4.49Å; I196-I200 WeakPolarHBondContact O-CG1 3.2Å; I196-I200 PolarHBondContact O-N 2.99Å; I196-I209 HydrophobicContact CG2-CG2 4.35Å; I196-L212 HydrophobicContact CD1-CB 4.3Å; I196-L212 HydrophobicContact CG1-CB 3.65Å; I196-A213 HydrophobicContact CD1-CB 4.16Å; I196-T216 HydrophobicContact CD1-CG2 4.44Å; I196-T216 VanDerWaalsContact CD1-OG1 3.27Å; I196-T216 WeakPolarHBondContact CD1-OG1 3.48Å; I196-Y249 HydrophobicContact CD1-CD1 3.77Å; I196-Y249 HydrophobicContact CD1-CE1 3.65Å
197A92.9Very high94.5Very high10 Ų1041.1 Ų41.18%0.08321%0.207CC..Hα-helixtrans-58.7-41.9179.300000112M1 E193 V194 E201M1-A197 HydrophobicContact CB-CB 4.22Å; M1-A197 HydrophobicContact CE-CB 3.75Å; E193-A197 WeakPolarHBondContact O-CB 3.42Å; E193-A197 PolarHBondContact O-N 3.08Å; V194-A197 PolarHBondContact O-N 2.93Å; A197-E201 PolarHBondContact O-N 3.37Å
198R90.8Very high94.3Very high73 Ų7342.7 Ų42.728%0.27522%0.215SC..Hα-helixtrans-68.8-38.9175.5-17655.5173.5-172.4-5.6112.5E137 V194 T195 I196 I200 E201 L202E137-R198 IonicContact OE1-NH2 3.19Å; E137-R198 PolarHBondContact OE1-NH2 2.88Å; E137-R198 IonicContact OE2-CZ 3.95Å; E137-R198 IonicContact OE2-NH1 3.4Å; E137-R198 PolarHBondContact OE2-NH1 2.87Å; E137-R198 IonicContact OE2-NH2 3.4Å; E137-R198 PolarHBondContact OE2-NH2 3.14Å; V194-R198 PolarHBondContact O-N 3.23Å; T195-R198 PolarHBondContact O-N 3.44Å; I196-R198 VanDerWaalsContact C-N 3.28Å; I196-R198 PolarHBondContact O-N 2.82Å; R198-I200 VanDerWaalsContact C-N 3.29Å; R198-I200 PolarHBondContact O-N 3.13Å; R198-E201 VanDerWaalsContact CD-OE2 3.3Å; R198-E201 WeakPolarHBondContact CD-OE2 3.38Å; R198-E201 IonicContact CZ-OE2 3.5Å; R198-E201 IonicContact NE-OE2 2.72Å; R198-E201 IonicContact NH1-OE1 2.77Å; R198-E201 PolarHBondContact NH1-OE1 3.27Å; R198-E201 IonicContact NH1-OE2 3.35Å; R198-E201 PolarHBondContact NH1-OE2 2.96Å; R198-E201 PolarHBondContact O-N 3.3Å; R198-L202 HydrophobicContact CG-CD1 3.99Å; R198-L202 HydrophobicContact CG-CG 4.33Å; R198-L202 WeakPolarHBondContact O-CB 3.15Å; R198-L202 WeakPolarHBondContact O-CG 3.2Å; R198-L202 PolarHBondContact O-N 3.5Å
199A92.2Very high94.3Very high7 Ų741.9 Ų41.96%0.05821%0.211CC..Hα-helixtrans-61.7-39.6177.400000111.6T195 I196 K203 H204 I209 L212T195-A199 WeakPolarHBondContact O-CB 3.11Å; T195-A199 PolarHBondContact O-N 3.31Å; I196-A199 PolarHBondContact O-N 3.47Å; I196-A199 VanDerWaalsContact O-N 3.15Å; A199-K203 PolarHBondContact O-N 3.13Å; A199-H204 HydrophobicContact CB-CB 4.4Å; A199-H204 PolarHBondContact O-CD2 3.41Å; A199-H204 PolarHBondContact O-N 3.47Å; A199-I209 HydrophobicContact CB-CG1 4.15Å; A199-L212 HydrophobicContact CB-CD1 4.03Å
200I92.6Very high94.2Very high38 Ų3841.9 Ų41.920%0.19521%0.211CC..Hα-helixtrans-65.7-46.2174.1-66.9166.1000110.9M1 I196 R198 L202 K203 I209 Y252 Y256M1-I200 HydrophobicContact CE-CB 4.05Å; M1-I200 HydrophobicContact CE-CD1 3.93Å; M1-I200 HydrophobicContact CE-CG2 4.05Å; I196-I200 HydrophobicContact CG2-CD1 3.79Å; I196-I200 HydrophobicContact CG2-CG1 4.49Å; I196-I200 WeakPolarHBondContact O-CG1 3.2Å; I196-I200 PolarHBondContact O-N 2.99Å; R198-I200 VanDerWaalsContact C-N 3.29Å; R198-I200 PolarHBondContact O-N 3.13Å; I200-L202 VanDerWaalsContact C-N 3.34Å; I200-L202 PolarHBondContact O-N 2.94Å; I200-K203 PolarHBondContact O-N 3.48Å; I200-I209 HydrophobicContact CD1-CG2 4.16Å; I200-I209 HydrophobicContact CG1-CD1 3.86Å; I200-I209 HydrophobicContact CG1-CG1 4.29Å; I200-I209 HydrophobicContact CG1-CG2 3.88Å; I200-Y252 HydrophobicContact CD1-CE1 3.99Å; I200-Y256 HydrophobicContact CD1-CE2 4.17Å; I200-Y256 WeakPolarHBondContact CD1-OH 3.39Å; I200-Y256 WeakPolarHBondContact CG1-OH 3.5Å
201E90.2Very high94.1Very high122 Ų12242.1 Ų42.157%0.5721%0.213SC*.Hα-helixtrans-60.2-42.9179.1-175-174.3-168.300112.3A197 R198 K203A197-E201 PolarHBondContact O-N 3.37Å; R198-E201 VanDerWaalsContact CD-OE2 3.3Å; R198-E201 WeakPolarHBondContact CD-OE2 3.38Å; R198-E201 IonicContact CZ-OE2 3.5Å; R198-E201 IonicContact NE-OE2 2.72Å; R198-E201 IonicContact NH1-OE1 2.77Å; R198-E201 PolarHBondContact NH1-OE1 3.27Å; R198-E201 IonicContact NH1-OE2 3.35Å; R198-E201 PolarHBondContact NH1-OE2 2.96Å; R198-E201 PolarHBondContact O-N 3.3Å; E201-K203 PolarHBondContact O-N 2.88Å
202L91.4Very high94.1Very high91 Ų9142.2 Ų42.248%0.47621%0.214SC..THydrogen-bonded Turntrans-77.84.5176.2-67.5179.1000113.5R198 I200 H204R198-L202 HydrophobicContact CG-CD1 3.99Å; R198-L202 HydrophobicContact CG-CG 4.33Å; R198-L202 WeakPolarHBondContact O-CB 3.15Å; R198-L202 WeakPolarHBondContact O-CG 3.2Å; R198-L202 PolarHBondContact O-N 3.5Å; I200-L202 VanDerWaalsContact C-N 3.34Å; I200-L202 PolarHBondContact O-N 2.94Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 3.49Å
203K93.4Very high94.1Very high190 Ų19042.2 Ų42.283%0.82621%0.214SC*.THydrogen-bonded Turntrans54.640178-54.9179.7-179.9178.10113.2A199 I200 E201A199-K203 PolarHBondContact O-N 3.13Å; I200-K203 PolarHBondContact O-N 3.48Å; E201-K203 PolarHBondContact O-N 2.88Å
204H94Very high94.2Very high91 Ų9143.8 Ų43.842%0.42122%0.221SC..  trans-61.4162.5171.4-78.5-87000111.6A199 L202 A206 L208 I209A199-H204 HydrophobicContact CB-CB 4.4Å; A199-H204 PolarHBondContact O-CD2 3.41Å; A199-H204 PolarHBondContact O-N 3.47Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 3.49Å; H204-A206 PolarHBondContact O-N 3.41Å; H204-L208 HydrophobicContact CB-CD2 4.15Å; H204-I209 WeakPolarHBondContact O-CD1 3.31Å
205N93.8Very high94.3Very high105 Ų10545 Ų4556%0.56123%0.226SC*.  trans-56.8138.2178.7-169.3-29.2000111.2S207 L208 I209N205-S207 VanDerWaalsContact CG-OG 3.32Å; N205-S207 PolarHBondContact O-N 3.2Å; N205-S207 PolarHBondContact OD1-N 2.92Å; N205-S207 PolarHBondContact OD1-OG 3.32Å; N205-L208 PolarHBondContact O-N 2.9Å; N205-I209 PolarHBondContact O-N 3.31Å
206A94.6Very high94.4Very high18 Ų1843.7 Ų43.715%0.14922%0.218CC..Hα-helixtrans-53.9-33.5176.200000112.9H204 L208 I209 A210 Y256 Q259H204-A206 PolarHBondContact O-N 3.41Å; A206-L208 PolarHBondContact O-N 3.13Å; A206-I209 PolarHBondContact O-N 2.91Å; A206-A210 WeakPolarHBondContact O-CB 3.4Å; A206-A210 PolarHBondContact O-N 3.09Å; A206-Y256 HydrophobicContact CB-CD1 3.94Å; A206-Q259 HydrophobicContact CB-CB 4.01Å
207S94.3Very high94.6Very high50 Ų5043.5 Ų43.535%0.3522%0.217SC..Hα-helixtrans-62.2-41.6177.362.90000112.6N205 A211 T260N205-S207 VanDerWaalsContact CG-OG 3.32Å; N205-S207 PolarHBondContact O-N 3.2Å; N205-S207 PolarHBondContact OD1-N 2.92Å; N205-S207 PolarHBondContact OD1-OG 3.32Å; S207-A211 WeakPolarHBondContact O-CB 3.18Å; S207-A211 PolarHBondContact O-N 2.86Å; S207-T260 WeakPolarHBondContact CA-OG1 3.13Å; S207-T260 PolarHBondContact N-OG1 2.89Å
208L94.4Very high94.8Very high35 Ų3545.5 Ų45.518%0.18323%0.226CC..Hα-helixtrans-67.2-45176.317762.4000110.8H204 N205 A206 A210 A211 L212H204-L208 HydrophobicContact CB-CD2 4.15Å; N205-L208 PolarHBondContact O-N 2.9Å; A206-L208 PolarHBondContact O-N 3.13Å; L208-A210 VanDerWaalsContact C-N 3.31Å; L208-A210 PolarHBondContact O-N 3.04Å; L208-A211 PolarHBondContact O-N 3.47Å; L208-L212 HydrophobicContact CD1-CD1 4.24Å; L208-L212 HydrophobicContact CD1-CG 4.19Å; L208-L212 HydrophobicContact CG-CD1 3.99Å; L208-L212 HydrophobicContact CG-CG 4.4Å; L208-L212 VanDerWaalsContact O-CG 3.29Å; L208-L212 WeakPolarHBondContact O-CG 3.43Å; L208-L212 PolarHBondContact O-N 3.34Å
209I95.9Very high95.1Very high4 Ų443.6 Ų43.62%0.02122%0.22CC..Hα-helixtrans-62.3-41.8179.3-62.1164.3000110.4I196 A199 I200 H204 N205 A206 A211 L212 A213 Y256I196-I209 HydrophobicContact CG2-CG2 4.35Å; A199-I209 HydrophobicContact CB-CG1 4.15Å; I200-I209 HydrophobicContact CD1-CG2 4.16Å; I200-I209 HydrophobicContact CG1-CD1 3.86Å; I200-I209 HydrophobicContact CG1-CG1 4.29Å; I200-I209 HydrophobicContact CG1-CG2 3.88Å; H204-I209 WeakPolarHBondContact O-CD1 3.31Å; N205-I209 PolarHBondContact O-N 3.31Å; A206-I209 PolarHBondContact O-N 2.91Å; I209-A211 PolarHBondContact O-N 3.21Å; I209-L212 PolarHBondContact O-N 3.01Å; I209-A213 WeakPolarHBondContact O-CB 3.2Å; I209-A213 PolarHBondContact O-N 3.36Å; I209-Y256 HydrophobicContact CB-CD1 3.81Å; I209-Y256 HydrophobicContact CB-CE1 4.16Å; I209-Y256 HydrophobicContact CB-CG 3.99Å; I209-Y256 HydrophobicContact CD1-CD1 3.98Å; I209-Y256 HydrophobicContact CD1-CE1 3.63Å; I209-Y256 HydrophobicContact CG1-CE1 4.5Å; I209-Y256 HydrophobicContact CG2-CD1 3.69Å; I209-Y256 HydrophobicContact CG2-CD2 3.61Å; I209-Y256 HydrophobicContact CG2-CE1 3.8Å; I209-Y256 HydrophobicContact CG2-CE2 3.74Å; I209-Y256 HydrophobicContact CG2-CG 3.59Å
210A96.3Very high95.4Very high0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-60.5-44175.300000111.8A206 L208 A213 F214 H257 L344A206-A210 WeakPolarHBondContact O-CB 3.4Å; A206-A210 PolarHBondContact O-N 3.09Å; L208-A210 VanDerWaalsContact C-N 3.31Å; L208-A210 PolarHBondContact O-N 3.04Å; A210-A213 PolarHBondContact O-N 3.16Å; A210-F214 WeakPolarHBondContact O-CB 3.19Å; A210-F214 PolarHBondContact O-N 2.95Å; A210-H257 HydrophobicContact CB-CB 4.22Å; A210-L344 HydrophobicContact CB-CD1 3.67Å
211A96.3Very high95.7Very high5 Ų545.9 Ų45.94%0.04123%0.228CC..Hα-helixtrans-65.4-45178.400000112.5S207 L208 I209 A213 F214 E215 L344 A346S207-A211 WeakPolarHBondContact O-CB 3.18Å; S207-A211 PolarHBondContact O-N 2.86Å; L208-A211 PolarHBondContact O-N 3.47Å; I209-A211 PolarHBondContact O-N 3.21Å; A211-A213 VanDerWaalsContact C-N 3.32Å; A211-A213 PolarHBondContact O-N 3.19Å; A211-F214 PolarHBondContact O-N 3.34Å; A211-E215 VanDerWaalsContact O-CG 3.26Å; A211-E215 WeakPolarHBondContact O-CG 3.42Å; A211-E215 PolarHBondContact O-N 3.29Å; A211-L344 HydrophobicContact CB-CB 3.93Å; A211-A346 HydrophobicContact CB-CB 4.21Å
212L96.3Very high96Very high3 Ų346.1 Ų46.12%0.01623%0.228CC..Hα-helixtrans-60.1-43175.6-67167.7000111.4T195 I196 A199 L208 I209 T216 A346 Y348T195-L212 HydrophobicContact CG2-CD1 4.45Å; I196-L212 HydrophobicContact CD1-CB 4.3Å; I196-L212 HydrophobicContact CG1-CB 3.65Å; A199-L212 HydrophobicContact CB-CD1 4.03Å; L208-L212 HydrophobicContact CD1-CD1 4.24Å; L208-L212 HydrophobicContact CD1-CG 4.19Å; L208-L212 HydrophobicContact CG-CD1 3.99Å; L208-L212 HydrophobicContact CG-CG 4.4Å; L208-L212 VanDerWaalsContact O-CG 3.29Å; L208-L212 WeakPolarHBondContact O-CG 3.43Å; L208-L212 PolarHBondContact O-N 3.34Å; I209-L212 PolarHBondContact O-N 3.01Å; L212-T216 WeakPolarHBondContact O-CB 3.26Å; L212-T216 PolarHBondContact O-N 3.33Å; L212-T216 PolarHBondContact O-OG1 3.14Å; L212-A346 HydrophobicContact CD2-CB 3.79Å; L212-A346 HydrophobicContact CG-CB 4.3Å; L212-Y348 WeakPolarHBondContact CD2-O 3.48Å
213A97.2Very high96.3Very high0 Ų041.8 Ų41.80%021%0.205CC..Hα-helixtrans-65.7-40177.600000112.4I196 I209 A210 A211 T216 A217 Y249 A253I196-A213 HydrophobicContact CD1-CB 4.16Å; I209-A213 WeakPolarHBondContact O-CB 3.2Å; I209-A213 PolarHBondContact O-N 3.36Å; A210-A213 PolarHBondContact O-N 3.16Å; A211-A213 VanDerWaalsContact C-N 3.32Å; A211-A213 PolarHBondContact O-N 3.19Å; A213-T216 WeakPolarHBondContact O-CB 3.37Å; A213-T216 PolarHBondContact O-N 3.23Å; A213-A217 PolarHBondContact O-N 3.46Å; A213-Y249 HydrophobicContact CB-CD1 4.4Å; A213-A253 HydrophobicContact CB-CB 4.02Å
214F97.4Very high96.5Very high32 Ų3233.6 Ų33.614%0.1417%0.17CC..Hα-helixtrans-64.1-47.4177.1-177.1-110.5000111.9A210 A211 T216 A217 N218 M250 A253 L342 L344A210-F214 WeakPolarHBondContact O-CB 3.19Å; A210-F214 PolarHBondContact O-N 2.95Å; A211-F214 PolarHBondContact O-N 3.34Å; F214-T216 VanDerWaalsContact C-N 3.29Å; F214-T216 PolarHBondContact O-N 3Å; F214-A217 WeakPolarHBondContact O-CB 3.46Å; F214-A217 PolarHBondContact O-N 3.48Å; F214-N218 WeakPolarHBondContact CE1-ND2 3.4Å; F214-N218 VanDerWaalsContact O-CG 3.31Å; F214-N218 PolarHBondContact O-N 3.45Å; F214-N218 PolarHBondContact O-ND2 2.94Å; F214-M250 HydrophobicContact CD2-CE 3.95Å; F214-M250 HydrophobicContact CD2-SD 3.92Å; F214-M250 HydrophobicContact CE2-CE 3.83Å; F214-M250 HydrophobicContact CE2-SD 4.1Å; F214-A253 HydrophobicContact CB-CB 3.92Å; F214-L342 HydrophobicContact CD2-CB 3.79Å; F214-L342 HydrophobicContact CD2-CD1 3.79Å; F214-L342 HydrophobicContact CD2-CG 4.47Å; F214-L342 WeakPolarHBondContact CE1-O 3.41Å; F214-L342 HydrophobicContact CE2-CB 3.61Å; F214-L342 HydrophobicContact CE2-CD1 4.19Å; F214-L342 HydrophobicContact CG-CB 4.4Å; F214-L342 HydrophobicContact CZ-CB 4.09Å; F214-L342 WeakPolarHBondContact CZ-O 3.33Å; F214-L344 HydrophobicContact CB-CB 4.3Å; F214-L344 HydrophobicContact CB-CD1 4.42Å; F214-L344 HydrophobicContact CD1-CB 4.11Å; F214-L344 WeakPolarHBondContact CD1-O 3.38Å; F214-L344 HydrophobicContact CG-CB 4.4Å
215E96.3Very high96.6Very high40 Ų4035.3 Ų35.319%0.18718%0.178CC..Hα-helixtrans-59.5-40.5174.6-66.4-107-164.500111.4A211 A217 N218 F219 A346 L350A211-E215 VanDerWaalsContact O-CG 3.26Å; A211-E215 WeakPolarHBondContact O-CG 3.42Å; A211-E215 PolarHBondContact O-N 3.29Å; E215-A217 PolarHBondContact O-N 2.7Å; E215-N218 WeakPolarHBondContact O-CB 3.41Å; E215-N218 PolarHBondContact O-N 3.43Å; E215-F219 WeakPolarHBondContact O-CD2 3.4Å; E215-F219 PolarHBondContact O-N 3.31Å; E215-A346 HydrophobicContact CG-CB 4.19Å; E215-A346 PolarHBondContact OE1-N 3.44Å; E215-L350 HydrophobicContact CB-CD2 4.02Å; E215-L350 HydrophobicContact CG-CD2 4.11Å
216T97.8Very high96.6Very high0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-61.3-44.2175.3-55.20000111.9Q192 E193 I196 L212 A213 F214 N218 F219 Y220 Y249Q192-T216 HydrophobicContact CB-CG2 4.31Å; Q192-T216 WeakPolarHBondContact CB-OG1 3.3Å; Q192-T216 WeakPolarHBondContact CG-OG1 3.29Å; E193-T216 HydrophobicContact CG-CG2 4.34Å; I196-T216 HydrophobicContact CD1-CG2 4.44Å; I196-T216 VanDerWaalsContact CD1-OG1 3.27Å; I196-T216 WeakPolarHBondContact CD1-OG1 3.48Å; L212-T216 WeakPolarHBondContact O-CB 3.26Å; L212-T216 PolarHBondContact O-N 3.33Å; L212-T216 PolarHBondContact O-OG1 3.14Å; A213-T216 WeakPolarHBondContact O-CB 3.37Å; A213-T216 PolarHBondContact O-N 3.23Å; F214-T216 VanDerWaalsContact C-N 3.29Å; F214-T216 PolarHBondContact O-N 3Å; T216-N218 VanDerWaalsContact C-N 3.29Å; T216-N218 PolarHBondContact O-N 3.49Å; T216-F219 PolarHBondContact O-N 3.33Å; T216-Y220 HydrophobicContact CG2-CD2 3.96Å; T216-Y220 HydrophobicContact CG2-CE2 3.77Å; T216-Y220 VanDerWaalsContact O-CD2 3.29Å; T216-Y220 WeakPolarHBondContact O-CD2 3.28Å; T216-Y220 PolarHBondContact O-N 3.19Å; T216-Y220 VanDerWaalsContact O-N 3.11Å; T216-Y249 HydrophobicContact CG2-CD1 3.94Å; T216-Y249 HydrophobicContact CG2-CD2 3.76Å; T216-Y249 HydrophobicContact CG2-CE1 4.33Å; T216-Y249 HydrophobicContact CG2-CE2 4.18Å; T216-Y249 HydrophobicContact CG2-CG 3.66Å
217A97.9Very high96.6Very high0 Ų030.7 Ų30.70%015%0.152CC..Hα-helixtrans-61.5-39.9175.600000111.5A213 F214 E215 Y220 Q221 Q246 M250A213-A217 PolarHBondContact O-N 3.46Å; F214-A217 WeakPolarHBondContact O-CB 3.46Å; F214-A217 PolarHBondContact O-N 3.48Å; E215-A217 PolarHBondContact O-N 2.7Å; A217-Y220 PolarHBondContact O-N 3.06Å; A217-Q221 WeakPolarHBondContact O-CB 3.43Å; A217-Q221 PolarHBondContact O-N 3.48Å; A217-Q246 WeakPolarHBondContact CB-O 3.48Å; A217-M250 HydrophobicContact CB-CB 4.28Å; A217-M250 HydrophobicContact CB-CE 3.95Å
218N97.2Very high96.4Very high51 Ų5131.2 Ų31.227%0.27315%0.151SC..Hα-helixtrans-66.3-38.5177.2-66.6-22.8000112.3F214 E215 T216 Q221 K222F214-N218 WeakPolarHBondContact CE1-ND2 3.4Å; F214-N218 VanDerWaalsContact O-CG 3.31Å; F214-N218 PolarHBondContact O-N 3.45Å; F214-N218 PolarHBondContact O-ND2 2.94Å; E215-N218 WeakPolarHBondContact O-CB 3.41Å; E215-N218 PolarHBondContact O-N 3.43Å; T216-N218 VanDerWaalsContact C-N 3.29Å; T216-N218 PolarHBondContact O-N 3.49Å; N218-Q221 PolarHBondContact O-N 3.25Å; N218-K222 VanDerWaalsContact O-CB 3.31Å; N218-K222 WeakPolarHBondContact O-CB 3.47Å; N218-K222 PolarHBondContact O-N 3.31Å
219F97.8Very high96Very high34 Ų3433 Ų3315%0.14916%0.163CC..Hα-helixtrans-60.1-48.7171.6-74-51.9000111.3I185 A189 E215 T216 Q221 K222 A223I185-F219 HydrophobicContact CG2-CB 3.89Å; I185-F219 HydrophobicContact CG2-CD1 4.05Å; I185-F219 HydrophobicContact CG2-CG 4.41Å; I185-F219 WeakPolarHBondContact CG2-O 3.49Å; A189-F219 HydrophobicContact CB-CB 3.72Å; E215-F219 WeakPolarHBondContact O-CD2 3.4Å; E215-F219 PolarHBondContact O-N 3.31Å; T216-F219 PolarHBondContact O-N 3.33Å; F219-Q221 VanDerWaalsContact C-N 3.34Å; F219-Q221 PolarHBondContact O-N 2.72Å; F219-K222 PolarHBondContact O-N 2.86Å; F219-A223 PolarHBondContact O-N 3.16Å
220Y98.4Very high95.7Very high0 Ų033.1 Ų33.10%016%0.164CC..Hα-helixtrans-61.7-40.2177.8-80.1-59.8000113.2A189 E190 E193 T216 A217 A223 D224 Y241 L242 K245 Y249A189-Y220 HydrophobicContact CB-CD1 4.03Å; A189-Y220 HydrophobicContact CB-CD2 3.87Å; A189-Y220 HydrophobicContact CB-CE1 3.77Å; A189-Y220 HydrophobicContact CB-CE2 3.62Å; A189-Y220 HydrophobicContact CB-CG 4.07Å; E190-Y220 VanDerWaalsContact CG-OH 3.31Å; E190-Y220 WeakPolarHBondContact CG-OH 3.33Å; E193-Y220 PolarHBondContact OE1-OH 3.08Å; T216-Y220 HydrophobicContact CG2-CD2 3.96Å; T216-Y220 HydrophobicContact CG2-CE2 3.77Å; T216-Y220 VanDerWaalsContact O-CD2 3.29Å; T216-Y220 WeakPolarHBondContact O-CD2 3.28Å; T216-Y220 PolarHBondContact O-N 3.19Å; T216-Y220 VanDerWaalsContact O-N 3.11Å; A217-Y220 PolarHBondContact O-N 3.06Å; Y220-A223 PolarHBondContact O-N 2.85Å; Y220-D224 PolarHBondContact O-N 3.37Å; Y220-Y241 HydrophobicContact CE1-CE1 4.16Å; Y220-Y241 PolarHBondContact OH-OH 3.21Å; Y220-L242 HydrophobicContact CD1-CD2 3.73Å; Y220-L242 HydrophobicContact CE1-CD2 4.12Å; Y220-K245 HydrophobicContact CD1-CB 3.68Å; Y220-K245 HydrophobicContact CD1-CG 4.41Å; Y220-K245 HydrophobicContact CD2-CB 3.54Å; Y220-K245 HydrophobicContact CE1-CB 3.72Å; Y220-K245 HydrophobicContact CE1-CG 3.98Å; Y220-K245 HydrophobicContact CE2-CB 3.56Å; Y220-K245 HydrophobicContact CE2-CD 4.29Å; Y220-K245 HydrophobicContact CE2-CG 4.12Å; Y220-K245 HydrophobicContact CG-CB 3.6Å; Y220-Y249 HydrophobicContact CD2-CD2 4.2Å; Y220-Y249 AromaticContact CE2-CD2 3.92Å; Y220-Y249 HydrophobicContact CE2-CD2 3.92Å; Y220-Y249 HydrophobicContact CE2-CE2 4.16Å
221Q97.9Very high95.1Very high93 Ų9338.6 Ų38.644%0.43519%0.189SC..Hα-helixtrans-61.6-45.4174.1-172.8-176.735.800111.6A217 N218 F219 A223 D224 H225 Q246A217-Q221 WeakPolarHBondContact O-CB 3.43Å; A217-Q221 PolarHBondContact O-N 3.48Å; N218-Q221 PolarHBondContact O-N 3.25Å; F219-Q221 VanDerWaalsContact C-N 3.34Å; F219-Q221 PolarHBondContact O-N 2.72Å; Q221-A223 VanDerWaalsContact C-N 3.35Å; Q221-A223 PolarHBondContact O-N 3.22Å; Q221-D224 PolarHBondContact O-N 2.84Å; Q221-H225 PolarHBondContact O-N 2.8Å; Q221-Q246 HydrophobicContact CB-CG 3.97Å
222K97.5Very high94.5Very high127 Ų12741.9 Ų41.955%0.55221%0.21SC*.Hα-helixtrans-61.9-44179-170.2-176.7176.9-179.20110.8I185 N218 F219 H225 T226I185-K222 HydrophobicContact CD1-CB 4.48Å; I185-K222 HydrophobicContact CD1-CD 3.83Å; I185-K222 HydrophobicContact CD1-CG 3.88Å; I185-K222 HydrophobicContact CG2-CB 4.47Å; N218-K222 VanDerWaalsContact O-CB 3.31Å; N218-K222 WeakPolarHBondContact O-CB 3.47Å; N218-K222 PolarHBondContact O-N 3.31Å; F219-K222 PolarHBondContact O-N 2.86Å; K222-H225 PolarHBondContact O-N 2.82Å; K222-T226 PolarHBondContact O-N 3.07Å; K222-T226 PolarHBondContact O-OG1 3.32Å
223A97.1Very high93.8Very high0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-61.2-43.5175.600000112.4I185 F219 Y220 Q221 H225 T226 L227 L242I185-A223 HydrophobicContact CB-CB 4.15Å; I185-A223 HydrophobicContact CG2-CB 3.88Å; F219-A223 PolarHBondContact O-N 3.16Å; Y220-A223 PolarHBondContact O-N 2.85Å; Q221-A223 VanDerWaalsContact C-N 3.35Å; Q221-A223 PolarHBondContact O-N 3.22Å; A223-H225 VanDerWaalsContact C-N 3.34Å; A223-H225 PolarHBondContact O-N 3.18Å; A223-T226 PolarHBondContact O-N 3.3Å; A223-L227 PolarHBondContact O-N 2.68Å; A223-L242 HydrophobicContact CB-CD1 3.89Å; A223-L242 HydrophobicContact CB-CD2 4.03Å
224D97.4Very high93Very high18 Ų1849.3 Ų49.310%0.09625%0.246CC..Hα-helixtrans-61.7-43175.2179.951.4000111.6Y220 Q221 T226 L227 N228 R239 L242 Q243Y220-D224 PolarHBondContact O-N 3.37Å; Q221-D224 PolarHBondContact O-N 2.84Å; D224-T226 VanDerWaalsContact C-N 3.33Å; D224-T226 PolarHBondContact O-N 2.66Å; D224-L227 PolarHBondContact O-N 3.41Å; D224-N228 PolarHBondContact O-N 3.47Å; D224-R239 VanDerWaalsContact OD1-CB 3.25Å; D224-R239 WeakPolarHBondContact OD1-CB 3.46Å; D224-R239 WeakPolarHBondContact OD1-CG 3.49Å; D224-R239 IonicContact OD1-CZ 3.87Å; D224-R239 IonicContact OD1-NE 3.4Å; D224-R239 PolarHBondContact OD1-NE 2.83Å; D224-R239 IonicContact OD1-NH2 3.47Å; D224-R239 PolarHBondContact OD1-NH2 3.03Å; D224-R239 IonicContact OD2-NH2 2.82Å; D224-R239 PolarHBondContact OD2-NH2 3.13Å; D224-L242 HydrophobicContact CB-CB 4.06Å; D224-L242 HydrophobicContact CB-CD1 4.48Å; D224-Q243 HydrophobicContact CB-CG 4.35Å; D224-Q243 PolarHBondContact OD1-NE2 2.85Å; D224-Q243 WeakPolarHBondContact OD2-CG 3.24Å; D224-Q243 PolarHBondContact OD2-NE2 3.42Å
225H96Very high92.7Very high126 Ų12647.8 Ų47.858%0.58324%0.239SC*.Hα-helixtrans-62.8-40.6178.6-169.785.6000111.6Q221 K222 A223 L227 N228Q221-H225 PolarHBondContact O-N 2.8Å; K222-H225 PolarHBondContact O-N 2.82Å; A223-H225 VanDerWaalsContact C-N 3.34Å; A223-H225 PolarHBondContact O-N 3.18Å; H225-L227 PolarHBondContact O-N 2.94Å; H225-N228 PolarHBondContact CE1-ND2 3.28Å; H225-N228 PolarHBondContact ND1-ND2 3.35Å; H225-N228 WeakPolarHBondContact O-CB 3.42Å; H225-N228 PolarHBondContact O-N 3.4Å; H225-N228 VanDerWaalsContact O-N 3.13Å; H225-N228 PolarHBondContact O-ND2 3.17Å; H225-N228 PolarHBondContact O-OD1 3.48Å
226T94.7Very high92.5Very high26 Ų2647.6 Ų47.616%0.1624%0.243CC..Hα-helixtrans-58.3-33.4176.3-59.40000112.5R178 D181 K222 A223 D224R178-T226 HydrophobicContact CB-CG2 4.07Å; R178-T226 HydrophobicContact CG-CG2 4.37Å; R178-T226 WeakPolarHBondContact O-CG2 3.47Å; D181-T226 HydrophobicContact CB-CG2 3.78Å; K222-T226 PolarHBondContact O-N 3.07Å; K222-T226 PolarHBondContact O-OG1 3.32Å; A223-T226 PolarHBondContact O-N 3.3Å; D224-T226 VanDerWaalsContact C-N 3.33Å; D224-T226 PolarHBondContact O-N 2.66Å
227L94Very high92.3Very high0 Ų047.9 Ų47.90%024%0.244CC..Hα-helixtrans-88.5-6.9-179.3-61.6175.7000114A182 A223 D224 H225 T229 L230 W238 R239 L242A182-L227 HydrophobicContact CB-CD1 3.94Å; A182-L227 HydrophobicContact CB-CD2 3.56Å; A182-L227 HydrophobicContact CB-CG 3.67Å; A223-L227 PolarHBondContact O-N 2.68Å; D224-L227 PolarHBondContact O-N 3.41Å; H225-L227 PolarHBondContact O-N 2.94Å; L227-T229 PolarHBondContact O-N 2.75Å; L227-T229 VanDerWaalsContact O-N 3.13Å; L227-L230 HydrophobicContact CD2-CD1 3.57Å; L227-L230 WeakPolarHBondContact O-CB 3.35Å; L227-L230 PolarHBondContact O-N 3.08Å; L227-L230 VanDerWaalsContact O-N 3.11Å; L227-W238 HydrophobicContact CD1-CD2 3.48Å; L227-W238 VanDerWaalsContact CD1-CD2 3.48Å; L227-W238 HydrophobicContact CD1-CE3 3.38Å; L227-W238 HydrophobicContact CD1-CG 4.07Å; L227-W238 HydrophobicContact CD1-CH2 4.16Å; L227-W238 HydrophobicContact CD1-CZ2 4.23Å; L227-W238 HydrophobicContact CD1-CZ3 3.73Å; L227-W238 HydrophobicContact CD2-CE3 4.02Å; L227-W238 HydrophobicContact CD2-CH2 4.25Å; L227-W238 HydrophobicContact CD2-CZ3 3.67Å; L227-W238 HydrophobicContact CG-CE3 4.37Å; L227-W238 HydrophobicContact CG-CZ3 4.36Å; L227-R239 HydrophobicContact CB-CG 3.81Å; L227-R239 HydrophobicContact CD1-CG 4.14Å; L227-L242 HydrophobicContact CD1-CD1 3.63Å
228N89.6Confident92.2Very high61 Ų6147.9 Ų47.933%0.32624%0.244SC..THydrogen-bonded Turntrans-64-22.4-17172.61.2000114.9D224 H225D224-N228 PolarHBondContact O-N 3.47Å; H225-N228 PolarHBondContact CE1-ND2 3.28Å; H225-N228 PolarHBondContact ND1-ND2 3.35Å; H225-N228 WeakPolarHBondContact O-CB 3.42Å; H225-N228 PolarHBondContact O-N 3.4Å; H225-N228 VanDerWaalsContact O-N 3.13Å; H225-N228 PolarHBondContact O-ND2 3.17Å; H225-N228 PolarHBondContact O-OD1 3.48Å
229T86.6Confident92.1Very high72 Ų7248.2 Ų48.244%0.44224%0.241SC..THydrogen-bonded Turntrans-94.7-4.1-178.858.20000113.3K171 R178 L227K171-T229 VanDerWaalsContact CE-O 3.29Å; K171-T229 WeakPolarHBondContact CE-O 3.42Å; K171-T229 PolarHBondContact NZ-O 3.24Å; R178-T229 VanDerWaalsContact CD-OG1 3.26Å; R178-T229 WeakPolarHBondContact CD-OG1 3.43Å; R178-T229 PolarHBondContact NH1-OG1 2.73Å; L227-T229 PolarHBondContact O-N 2.75Å; L227-T229 VanDerWaalsContact O-N 3.13Å
230L88.9Confident92.1Very high7 Ų748.8 Ų48.84%0.03724%0.244CC..SBendtrans-77.6159.7171.7-61.7-174000110.5L96 K171 E176 V179 L227L96-L230 HydrophobicContact CD1-CD1 4.32Å; K171-L230 HydrophobicContact CG-CD2 4.38Å; E176-L230 WeakPolarHBondContact OE1-CD2 3.42Å; V179-L230 HydrophobicContact CG2-CD1 3.83Å; L227-L230 HydrophobicContact CD2-CD1 3.57Å; L227-L230 WeakPolarHBondContact O-CB 3.35Å; L227-L230 PolarHBondContact O-N 3.08Å; L227-L230 VanDerWaalsContact O-N 3.11Å
231E85Confident92Very high115 Ų11548.8 Ų48.854%0.53724%0.244SC..  trans-61.7132.8178.6-71.2179.8-178.300110.3E233 C234 S235E231-E233 PolarHBondContact O-N 2.9Å; E231-C234 PolarHBondContact O-N 3.32Å; E231-C234 PolarHBondContact O-SG 3.28Å; E231-S235 PolarHBondContact O-N 2.72Å; E231-S235 PolarHBondContact O-OG 2.89Å
232P82.9Confident92Very high74 Ų7444.4 Ų44.448%0.48122%0.223SC..Hα-helixtrans-57.5-33.1-178.4-2735.4000113.3C234 S235 S236P232-C234 VanDerWaalsContact C-N 3.28Å; P232-C234 PolarHBondContact O-N 3.31Å; P232-S235 PolarHBondContact O-N 3.14Å; P232-S236 WeakPolarHBondContact CA-OG 3.49Å; P232-S236 WeakPolarHBondContact O-CB 3.39Å; P232-S236 PolarHBondContact O-N 3.47Å; P232-S236 PolarHBondContact O-OG 3.46Å
233E81.1Confident92Very high146 Ų14639.9 Ų39.968%0.68220%0.204SC*.Hα-helixtrans-60.5-36.6-174.3-67.470.3-155.900112.2E231E231-E233 PolarHBondContact O-N 2.9Å
234C81.8Confident92Very high13 Ų1339.9 Ų39.99%0.08820%0.204CC..Hα-helixtrans-98.4-25.7-178.167.40000113.4L96 E231 P232L96-C234 HydrophobicContact CB-CB 4.14Å; L96-C234 WeakPolarHBondContact O-CB 3.45Å; E231-C234 PolarHBondContact O-N 3.32Å; E231-C234 PolarHBondContact O-SG 3.28Å; P232-C234 VanDerWaalsContact C-N 3.28Å; P232-C234 PolarHBondContact O-N 3.31Å
235S90.4Very high92Very high0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-104.6-20.9-171.165.60000115.1E231 P232 K237 W238 R239E231-S235 PolarHBondContact O-N 2.72Å; E231-S235 PolarHBondContact O-OG 2.89Å; P232-S235 PolarHBondContact O-N 3.14Å; S235-K237 PolarHBondContact O-N 2.9Å; S235-W238 PolarHBondContact O-N 2.92Å; S235-R239 WeakPolarHBondContact O-CG 3.36Å; S235-R239 PolarHBondContact O-N 2.99Å
236S92.3Very high92.1Very high37 Ų3734.1 Ų34.126%0.25918%0.177SC..Hα-helixtrans-58.1-44.9-167.9-71.50000114P232 W238 R239 K240P232-S236 WeakPolarHBondContact CA-OG 3.49Å; P232-S236 WeakPolarHBondContact O-CB 3.39Å; P232-S236 PolarHBondContact O-N 3.47Å; P232-S236 PolarHBondContact O-OG 3.46Å; S236-W238 VanDerWaalsContact C-N 3.34Å; S236-W238 PolarHBondContact O-N 3.22Å; S236-R239 PolarHBondContact O-N 2.84Å; S236-K240 WeakPolarHBondContact O-CG 3.4Å; S236-K240 PolarHBondContact O-N 2.9Å
237K93.7Very high92.3Very high5 Ų536.7 Ų36.72%0.02218%0.184CC..Hα-helixtrans-64-42.2-178.3-168.4175.3-175-178.50111.7S235 K240 Y241 Y291 T294 G296 G298 T300S235-K237 PolarHBondContact O-N 2.9Å; K237-K240 PolarHBondContact O-N 3.32Å; K237-Y241 PolarHBondContact O-N 3.2Å; K237-Y291 HydrophobicContact CG-CD2 4.07Å; K237-Y291 HydrophobicContact CG-CE2 3.7Å; K237-Y291 WeakPolarHBondContact O-CD2 3.12Å; K237-T294 HydrophobicContact CB-CG2 3.93Å; K237-T294 WeakPolarHBondContact CD-O 3.24Å; K237-G296 WeakPolarHBondContact CD-O 3.29Å; K237-G298 PolarHBondContact NZ-O 2.65Å; K237-T300 PolarHBondContact NZ-OG1 3.43Å; K237-T300 VanDerWaalsContact NZ-OG1 3.13Å
238W95.7Very high92.5Very high1 Ų136.8 Ų36.80%0.00419%0.185CC..Hα-helixtrans-63.8-45.5176.5-174.315.5000111.1H6 L96 V179 A182 Y183 Q186 L227 S235 S236 K240 Y241 L242H6-W238 AromaticContact CD2-CD1 3.77Å; L96-W238 HydrophobicContact CD1-CE3 4.07Å; L96-W238 HydrophobicContact CD1-CZ3 4.05Å; L96-W238 HydrophobicContact CD2-CE3 3.82Å; L96-W238 HydrophobicContact CD2-CZ3 4.28Å; L96-W238 HydrophobicContact CG-CE3 4.49Å; V179-W238 HydrophobicContact CG1-CH2 4.47Å; V179-W238 HydrophobicContact CG1-CZ3 4.22Å; A182-W238 HydrophobicContact CB-CH2 3.48Å; A182-W238 VanDerWaalsContact CB-CH2 3.48Å; A182-W238 HydrophobicContact CB-CZ2 3.78Å; A182-W238 HydrophobicContact CB-CZ3 4.17Å; Y183-W238 HydrophobicContact CD1-CH2 4.37Å; Y183-W238 HydrophobicContact CD1-CZ2 4.28Å; Y183-W238 AromaticContact CD2-CH2 3.75Å; Y183-W238 HydrophobicContact CD2-CH2 3.75Å; Y183-W238 HydrophobicContact CD2-CZ2 4.44Å; Y183-W238 HydrophobicContact CE1-CH2 4.35Å; Y183-W238 HydrophobicContact CE1-CZ2 4.31Å; Y183-W238 AromaticContact CE2-CH2 3.72Å; Y183-W238 HydrophobicContact CE2-CH2 3.72Å; Y183-W238 HydrophobicContact CE2-CZ2 4.46Å; Y183-W238 HydrophobicContact CE2-CZ3 4.21Å; Y183-W238 HydrophobicContact CG-CH2 4.07Å; Y183-W238 HydrophobicContact CG-CZ2 4.34Å; Q186-W238 VanDerWaalsContact OE1-CE2 3.3Å; L227-W238 HydrophobicContact CD1-CD2 3.48Å; L227-W238 VanDerWaalsContact CD1-CD2 3.48Å; L227-W238 HydrophobicContact CD1-CE3 3.38Å; L227-W238 HydrophobicContact CD1-CG 4.07Å; L227-W238 HydrophobicContact CD1-CH2 4.16Å; L227-W238 HydrophobicContact CD1-CZ2 4.23Å; L227-W238 HydrophobicContact CD1-CZ3 3.73Å; L227-W238 HydrophobicContact CD2-CE3 4.02Å; L227-W238 HydrophobicContact CD2-CH2 4.25Å; L227-W238 HydrophobicContact CD2-CZ3 3.67Å; L227-W238 HydrophobicContact CG-CE3 4.37Å; L227-W238 HydrophobicContact CG-CZ3 4.36Å; S235-W238 PolarHBondContact O-N 2.92Å; S236-W238 VanDerWaalsContact C-N 3.34Å; S236-W238 PolarHBondContact O-N 3.22Å; W238-K240 VanDerWaalsContact C-N 3.34Å; W238-K240 PolarHBondContact O-N 3.34Å; W238-Y241 WeakPolarHBondContact O-CB 3.42Å; W238-Y241 PolarHBondContact O-N 3.46Å; W238-Y241 VanDerWaalsContact O-N 3.08Å; W238-L242 WeakPolarHBondContact O-CG 3.21Å; W238-L242 PolarHBondContact O-N 3.34Å
239R96.3Very high92.8Very high57 Ų5734.2 Ų34.222%0.21517%0.171CC..Hα-helixtrans-58.6-41.3174.7-71.3-172.666.5-157.7-4113.1D224 L227 S235 S236 Y241 L242 Q243D224-R239 VanDerWaalsContact OD1-CB 3.25Å; D224-R239 WeakPolarHBondContact OD1-CB 3.46Å; D224-R239 WeakPolarHBondContact OD1-CG 3.49Å; D224-R239 IonicContact OD1-CZ 3.87Å; D224-R239 IonicContact OD1-NE 3.4Å; D224-R239 PolarHBondContact OD1-NE 2.83Å; D224-R239 IonicContact OD1-NH2 3.47Å; D224-R239 PolarHBondContact OD1-NH2 3.03Å; D224-R239 IonicContact OD2-NH2 2.82Å; D224-R239 PolarHBondContact OD2-NH2 3.13Å; L227-R239 HydrophobicContact CB-CG 3.81Å; L227-R239 HydrophobicContact CD1-CG 4.14Å; S235-R239 WeakPolarHBondContact O-CG 3.36Å; S235-R239 PolarHBondContact O-N 2.99Å; S236-R239 PolarHBondContact O-N 2.84Å; R239-Y241 VanDerWaalsContact C-N 3.29Å; R239-Y241 PolarHBondContact O-N 3.05Å; R239-L242 PolarHBondContact O-N 3.45Å; R239-L242 VanDerWaalsContact O-N 3.16Å; R239-Q243 WeakPolarHBondContact O-CB 3.32Å; R239-Q243 VanDerWaalsContact O-CG 3.27Å; R239-Q243 WeakPolarHBondContact O-CG 3.37Å; R239-Q243 PolarHBondContact O-N 3.42Å
240K95.9Very high93.4Very high47 Ų4732.2 Ų32.220%0.20416%0.156CC..Hα-helixtrans-60.4-37.8174.6-69.2-60.9176.5-174.60112.6S236 K237 W238 L244 L287 E290 Y291S236-K240 WeakPolarHBondContact O-CG 3.4Å; S236-K240 PolarHBondContact O-N 2.9Å; K237-K240 PolarHBondContact O-N 3.32Å; W238-K240 VanDerWaalsContact C-N 3.34Å; W238-K240 PolarHBondContact O-N 3.34Å; K240-L244 VanDerWaalsContact O-CB 3.22Å; K240-L244 WeakPolarHBondContact O-CB 3.34Å; K240-L244 PolarHBondContact O-N 3Å; K240-L287 HydrophobicContact CD-CD2 4.09Å; K240-E290 HydrophobicContact CD-CB 4.19Å; K240-E290 WeakPolarHBondContact CE-OE2 3.35Å; K240-E290 IonicContact NZ-OE2 2.97Å; K240-E290 PolarHBondContact NZ-OE2 3.11Å; K240-Y291 HydrophobicContact CB-CD2 4.15Å
241Y96.7Very high93.8Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-63.5-46.7172.8162.5-101.1000112W4 H6 Q186 E190 Y220 K237 W238 R239 L244 K245W4-Y241 HydrophobicContact CE3-CD2 4.36Å; W4-Y241 HydrophobicContact CE3-CE2 4.22Å; W4-Y241 AromaticContact CH2-CD2 3.62Å; W4-Y241 HydrophobicContact CH2-CD2 3.62Å; W4-Y241 HydrophobicContact CH2-CE2 4.23Å; W4-Y241 HydrophobicContact CZ2-CD2 4.36Å; W4-Y241 AromaticContact CZ3-CD2 3.61Å; W4-Y241 HydrophobicContact CZ3-CD2 3.61Å; W4-Y241 AromaticContact CZ3-CE2 3.91Å; W4-Y241 HydrophobicContact CZ3-CE2 3.91Å; H6-Y241 HydrophobicContact CB-CD1 3.66Å; H6-Y241 HydrophobicContact CB-CD2 3.42Å; H6-Y241 VanDerWaalsContact CB-CD2 3.42Å; H6-Y241 HydrophobicContact CB-CE1 3.99Å; H6-Y241 HydrophobicContact CB-CE2 3.77Å; H6-Y241 HydrophobicContact CB-CG 3.35Å; Q186-Y241 HydrophobicContact CG-CE1 4.48Å; E190-Y241 PolarHBondContact OE1-OH 3.17Å; Y220-Y241 HydrophobicContact CE1-CE1 4.16Å; Y220-Y241 PolarHBondContact OH-OH 3.21Å; K237-Y241 PolarHBondContact O-N 3.2Å; W238-Y241 WeakPolarHBondContact O-CB 3.42Å; W238-Y241 PolarHBondContact O-N 3.46Å; W238-Y241 VanDerWaalsContact O-N 3.08Å; R239-Y241 VanDerWaalsContact C-N 3.29Å; R239-Y241 PolarHBondContact O-N 3.05Å; Y241-L244 WeakPolarHBondContact O-CB 3.25Å; Y241-L244 PolarHBondContact O-N 2.95Å; Y241-K245 HydrophobicContact CD2-CG 4.13Å; Y241-K245 HydrophobicContact CE1-CG 4.45Å; Y241-K245 HydrophobicContact CE2-CD 4.26Å; Y241-K245 HydrophobicContact CE2-CG 3.64Å; Y241-K245 WeakPolarHBondContact O-CG 3.28Å; Y241-K245 PolarHBondContact O-N 3.28Å
242L97.9Very high94.4Very high0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-63.5-44.3179.8-61.3171.6000111.4Q186 Y220 A223 D224 L227 W238 R239 K245 Q246Q186-L242 HydrophobicContact CB-CD2 4.5Å; Y220-L242 HydrophobicContact CD1-CD2 3.73Å; Y220-L242 HydrophobicContact CE1-CD2 4.12Å; A223-L242 HydrophobicContact CB-CD1 3.89Å; A223-L242 HydrophobicContact CB-CD2 4.03Å; D224-L242 HydrophobicContact CB-CB 4.06Å; D224-L242 HydrophobicContact CB-CD1 4.48Å; L227-L242 HydrophobicContact CD1-CD1 3.63Å; W238-L242 WeakPolarHBondContact O-CG 3.21Å; W238-L242 PolarHBondContact O-N 3.34Å; R239-L242 PolarHBondContact O-N 3.45Å; R239-L242 VanDerWaalsContact O-N 3.16Å; L242-K245 PolarHBondContact O-N 3.49Å; L242-Q246 WeakPolarHBondContact O-CB 3.33Å; L242-Q246 PolarHBondContact O-N 3.3Å
243Q97.8Very high95.1Very high32 Ų3223.6 Ų23.615%0.1511%0.109CC..Hα-helixtrans-61.4-44.7175.1-70.1170.8-3.200111.8D224 R239 K245 Q246 Y247 L287D224-Q243 HydrophobicContact CB-CG 4.35Å; D224-Q243 PolarHBondContact OD1-NE2 2.85Å; D224-Q243 WeakPolarHBondContact OD2-CG 3.24Å; D224-Q243 PolarHBondContact OD2-NE2 3.42Å; R239-Q243 WeakPolarHBondContact O-CB 3.32Å; R239-Q243 VanDerWaalsContact O-CG 3.27Å; R239-Q243 WeakPolarHBondContact O-CG 3.37Å; R239-Q243 PolarHBondContact O-N 3.42Å; Q243-K245 VanDerWaalsContact C-N 3.33Å; Q243-K245 PolarHBondContact O-N 2.95Å; Q243-Q246 WeakPolarHBondContact O-CB 3.44Å; Q243-Q246 PolarHBondContact O-N 2.95Å; Q243-Y247 WeakPolarHBondContact O-CD2 3.35Å; Q243-Y247 PolarHBondContact O-N 2.95Å; Q243-Y247 VanDerWaalsContact O-N 3.12Å; Q243-L287 HydrophobicContact CB-CD1 4.04Å; Q243-L287 HydrophobicContact CB-CD2 4.18Å
244L97.2Very high95.9Very high0 Ų017.5 Ų17.50%08%0.08CC..Hα-helixtrans-55.3-51.3175.2174.4169000110.2W4 K240 Y241 Y247 F248 L287 C288 P303W4-L244 HydrophobicContact CZ3-CD1 4.04Å; W4-L244 HydrophobicContact CZ3-CD2 4.35Å; K240-L244 VanDerWaalsContact O-CB 3.22Å; K240-L244 WeakPolarHBondContact O-CB 3.34Å; K240-L244 PolarHBondContact O-N 3Å; Y241-L244 WeakPolarHBondContact O-CB 3.25Å; Y241-L244 PolarHBondContact O-N 2.95Å; L244-Y247 PolarHBondContact O-N 2.81Å; L244-F248 VanDerWaalsContact O-CB 3.27Å; L244-F248 WeakPolarHBondContact O-CB 3.47Å; L244-F248 PolarHBondContact O-N 2.92Å; L244-L287 HydrophobicContact CB-CB 4Å; L244-C288 HydrophobicContact CD1-CB 4.27Å; L244-C288 WeakPolarHBondContact CD1-SG 3.35Å; L244-P303 HydrophobicContact CD1-CB 4.18Å; L244-P303 HydrophobicContact CD1-CG 4.13Å
245K97.9Very high96.6Very high0 Ų016.9 Ų16.90%08%0.076CC..Hα-helixtrans-66-37.6-178.2-75.2-69.9-167.7160.50112.6W4 E193 Y220 Y241 L242 Q243 F248 Y249W4-K245 WeakPolarHBondContact O-CE 3.43Å; W4-K245 PolarHBondContact O-NZ 2.96Å; E193-K245 VanDerWaalsContact CD-NZ 3.27Å; E193-K245 WeakPolarHBondContact OE1-CD 3.41Å; E193-K245 VanDerWaalsContact OE1-CE 3.32Å; E193-K245 WeakPolarHBondContact OE1-CE 3.4Å; E193-K245 IonicContact OE1-NZ 3.24Å; E193-K245 PolarHBondContact OE1-NZ 3.48Å; E193-K245 IonicContact OE2-NZ 3.45Å; E193-K245 PolarHBondContact OE2-NZ 3.41Å; Y220-K245 HydrophobicContact CD1-CB 3.68Å; Y220-K245 HydrophobicContact CD1-CG 4.41Å; Y220-K245 HydrophobicContact CD2-CB 3.54Å; Y220-K245 HydrophobicContact CE1-CB 3.72Å; Y220-K245 HydrophobicContact CE1-CG 3.98Å; Y220-K245 HydrophobicContact CE2-CB 3.56Å; Y220-K245 HydrophobicContact CE2-CD 4.29Å; Y220-K245 HydrophobicContact CE2-CG 4.12Å; Y220-K245 HydrophobicContact CG-CB 3.6Å; Y241-K245 HydrophobicContact CD2-CG 4.13Å; Y241-K245 HydrophobicContact CE1-CG 4.45Å; Y241-K245 HydrophobicContact CE2-CD 4.26Å; Y241-K245 HydrophobicContact CE2-CG 3.64Å; Y241-K245 WeakPolarHBondContact O-CG 3.28Å; Y241-K245 PolarHBondContact O-N 3.28Å; L242-K245 PolarHBondContact O-N 3.49Å; Q243-K245 VanDerWaalsContact C-N 3.33Å; Q243-K245 PolarHBondContact O-N 2.95Å; K245-F248 PolarHBondContact O-N 3.3Å; K245-Y249 HydrophobicContact CD-CE2 4.14Å; K245-Y249 WeakPolarHBondContact O-CD2 3.31Å; K245-Y249 PolarHBondContact O-N 3.05Å
246Q98.1Very high96.9Very high24 Ų2417.9 Ų17.911%0.1128%0.08CC..Hα-helixtrans-55-57.2172.6177.3-161.2-16.700111.1A217 Q221 L242 Q243 F248 Y249 M250A217-Q246 WeakPolarHBondContact CB-O 3.48Å; Q221-Q246 HydrophobicContact CB-CG 3.97Å; L242-Q246 WeakPolarHBondContact O-CB 3.33Å; L242-Q246 PolarHBondContact O-N 3.3Å; Q243-Q246 WeakPolarHBondContact O-CB 3.44Å; Q243-Q246 PolarHBondContact O-N 2.95Å; Q246-F248 VanDerWaalsContact C-N 3.3Å; Q246-F248 PolarHBondContact O-N 3.44Å; Q246-Y249 PolarHBondContact O-N 3.42Å; Q246-M250 WeakPolarHBondContact O-CB 3.39Å; Q246-M250 PolarHBondContact O-N 2.86Å
247Y98.1Very high97.1Very high79 Ų7917.5 Ų17.531%0.317%0.074SC..Hα-helixtrans-65.8-34.7-178.3-79.5-75.2000112.3Q243 L244 M250 A251 R283 L287Q243-Y247 WeakPolarHBondContact O-CD2 3.35Å; Q243-Y247 PolarHBondContact O-N 2.95Å; Q243-Y247 VanDerWaalsContact O-N 3.12Å; L244-Y247 PolarHBondContact O-N 2.81Å; Y247-M250 PolarHBondContact O-N 3.44Å; Y247-A251 PolarHBondContact O-N 3.13Å; Y247-R283 HydrophobicContact CD1-CB 4.11Å; Y247-R283 HydrophobicContact CD1-CG 3.85Å; Y247-R283 HydrophobicContact CD2-CG 3.86Å; Y247-R283 HydrophobicContact CE1-CB 4.45Å; Y247-R283 HydrophobicContact CE1-CG 3.88Å; Y247-R283 HydrophobicContact CE2-CG 3.91Å; Y247-R283 HydrophobicContact CG-CB 4.26Å; Y247-R283 HydrophobicContact CG-CG 3.84Å; Y247-L287 HydrophobicContact CD2-CD1 3.51Å; Y247-L287 HydrophobicContact CE2-CD1 4.09Å; Y247-L287 HydrophobicContact CG-CD1 4.4Å
248F97.8Very high97.3Very high2 Ų217.3 Ų17.31%0.0097%0.073CC..Hα-helixtrans-62.5-46.8176-176.1-98.7000112.3L244 K245 Q246 A251 Y252 A284 F308 F309 L312L244-F248 VanDerWaalsContact O-CB 3.27Å; L244-F248 WeakPolarHBondContact O-CB 3.47Å; L244-F248 PolarHBondContact O-N 2.92Å; K245-F248 PolarHBondContact O-N 3.3Å; Q246-F248 VanDerWaalsContact C-N 3.3Å; Q246-F248 PolarHBondContact O-N 3.44Å; F248-A251 WeakPolarHBondContact O-CB 3.21Å; F248-A251 PolarHBondContact O-N 2.86Å; F248-Y252 HydrophobicContact CD1-CD2 4.22Å; F248-Y252 HydrophobicContact CD1-CE2 4.39Å; F248-Y252 AromaticContact CE1-CD2 3.77Å; F248-Y252 HydrophobicContact CE1-CD2 3.77Å; F248-Y252 AromaticContact CE1-CE2 3.5Å; F248-Y252 HydrophobicContact CE1-CE2 3.5Å; F248-Y252 VanDerWaalsContact CE1-CE2 3.5Å; F248-Y252 HydrophobicContact CZ-CD2 4.18Å; F248-Y252 AromaticContact CZ-CE2 3.65Å; F248-Y252 HydrophobicContact CZ-CE2 3.65Å; F248-Y252 PolarHBondContact O-N 3.04Å; F248-Y252 VanDerWaalsContact O-N 3.15Å; F248-A284 HydrophobicContact CB-CB 4.25Å; F248-F308 HydrophobicContact CD1-CD2 4.49Å; F248-F308 HydrophobicContact CD1-CE2 4.21Å; F248-F308 HydrophobicContact CD2-CE2 4.31Å; F248-F308 AromaticContact CE1-CD2 3.69Å; F248-F308 HydrophobicContact CE1-CD2 3.69Å; F248-F308 AromaticContact CE1-CE2 3.84Å; F248-F308 HydrophobicContact CE1-CE2 3.84Å; F248-F308 HydrophobicContact CE2-CD2 4.11Å; F248-F308 AromaticContact CE2-CE2 3.96Å; F248-F308 HydrophobicContact CE2-CE2 3.96Å; F248-F308 HydrophobicContact CG-CE2 4.43Å; F248-F308 AromaticContact CZ-CD2 3.46Å; F248-F308 HydrophobicContact CZ-CD2 3.46Å; F248-F308 VanDerWaalsContact CZ-CD2 3.46Å; F248-F308 AromaticContact CZ-CE2 3.71Å; F248-F308 HydrophobicContact CZ-CE2 3.71Å; F248-F308 WeakPolarHBondContact CZ-O 3.33Å; F248-F309 AromaticContact CD2-CD2 3.7Å; F248-F309 HydrophobicContact CD2-CD2 3.7Å; F248-F309 AromaticContact CD2-CE2 3.81Å; F248-F309 HydrophobicContact CD2-CE2 3.81Å; F248-F309 HydrophobicContact CE2-CB 4.49Å; F248-F309 AromaticContact CE2-CD2 3.71Å; F248-F309 HydrophobicContact CE2-CD2 3.71Å; F248-F309 HydrophobicContact CE2-CE2 4.22Å; F248-F309 HydrophobicContact CE2-CG 4.3Å; F248-L312 HydrophobicContact CD1-CD2 4.46Å; F248-L312 HydrophobicContact CD2-CD2 3.66Å; F248-L312 HydrophobicContact CE1-CD2 4.22Å; F248-L312 HydrophobicContact CE2-CB 3.84Å; F248-L312 HydrophobicContact CE2-CD2 3.34Å; F248-L312 HydrophobicContact CE2-CG 4.21Å; F248-L312 HydrophobicContact CG-CD2 4.21Å; F248-L312 HydrophobicContact CZ-CB 3.9Å; F248-L312 HydrophobicContact CZ-CD2 3.65Å; F248-L312 HydrophobicContact CZ-CG 4.43Å; F248-L312 WeakPolarHBondContact O-CD2 3.45Å
249Y97.9Very high97.3Very high8 Ų819.8 Ų19.83%0.0319%0.085CC..Hα-helixtrans-75.8-26.6177.8-82.4-73.3000113.4E193 I196 A213 T216 Y220 K245 Q246 A251 Y252 A253E193-Y249 WeakPolarHBondContact CB-OH 3.49Å; E193-Y249 HydrophobicContact CG-CE1 4.28Å; E193-Y249 HydrophobicContact CG-CE2 3.49Å; E193-Y249 VanDerWaalsContact CG-CE2 3.49Å; E193-Y249 WeakPolarHBondContact CG-OH 3.42Å; E193-Y249 WeakPolarHBondContact OE1-CE2 3.48Å; E193-Y249 WeakPolarHBondContact OE2-CE2 3.44Å; E193-Y249 PolarHBondContact OE2-OH 3.22Å; I196-Y249 HydrophobicContact CD1-CD1 3.77Å; I196-Y249 HydrophobicContact CD1-CE1 3.65Å; A213-Y249 HydrophobicContact CB-CD1 4.4Å; T216-Y249 HydrophobicContact CG2-CD1 3.94Å; T216-Y249 HydrophobicContact CG2-CD2 3.76Å; T216-Y249 HydrophobicContact CG2-CE1 4.33Å; T216-Y249 HydrophobicContact CG2-CE2 4.18Å; T216-Y249 HydrophobicContact CG2-CG 3.66Å; Y220-Y249 HydrophobicContact CD2-CD2 4.2Å; Y220-Y249 AromaticContact CE2-CD2 3.92Å; Y220-Y249 HydrophobicContact CE2-CD2 3.92Å; Y220-Y249 HydrophobicContact CE2-CE2 4.16Å; K245-Y249 HydrophobicContact CD-CE2 4.14Å; K245-Y249 WeakPolarHBondContact O-CD2 3.31Å; K245-Y249 PolarHBondContact O-N 3.05Å; Q246-Y249 PolarHBondContact O-N 3.42Å; Y249-A251 VanDerWaalsContact C-N 3.33Å; Y249-Y252 HydrophobicContact CD1-CD2 4.25Å; Y249-Y252 HydrophobicContact CE1-CD2 4.22Å; Y249-Y252 WeakPolarHBondContact O-CB 3.44Å; Y249-Y252 PolarHBondContact O-N 3.46Å; Y249-A253 PolarHBondContact O-N 3.37Å
250M97.9Very high97.2Very high29 Ų2918.5 Ų18.514%0.1438%0.084CC..Hα-helixtrans-63.5-40.8168.6-168.660.168.200111.3F214 A217 Q246 Y247 Y252 A253 F254 L342F214-M250 HydrophobicContact CD2-CE 3.95Å; F214-M250 HydrophobicContact CD2-SD 3.92Å; F214-M250 HydrophobicContact CE2-CE 3.83Å; F214-M250 HydrophobicContact CE2-SD 4.1Å; A217-M250 HydrophobicContact CB-CB 4.28Å; A217-M250 HydrophobicContact CB-CE 3.95Å; Q246-M250 WeakPolarHBondContact O-CB 3.39Å; Q246-M250 PolarHBondContact O-N 2.86Å; Y247-M250 PolarHBondContact O-N 3.44Å; M250-Y252 PolarHBondContact O-N 3.48Å; M250-A253 WeakPolarHBondContact O-CB 3.42Å; M250-A253 PolarHBondContact O-N 3.4Å; M250-F254 HydrophobicContact CG-CD2 3.9Å; M250-F254 HydrophobicContact CG-CE2 3.66Å; M250-F254 VanDerWaalsContact O-CD2 3.31Å; M250-F254 WeakPolarHBondContact O-CD2 3.38Å; M250-F254 PolarHBondContact O-N 2.91Å; M250-F254 HydrophobicContact SD-CD2 4.25Å; M250-F254 HydrophobicContact SD-CE2 3.81Å; M250-L342 HydrophobicContact SD-CD1 3.89Å
251A97.9Very high97.2Very high0 Ų017 Ų170%08%0.077CC..Hα-helixtrans-62.9-40.4173.500000112.3Y247 F248 Y249 C255 A277 C280 L312 I316Y247-A251 PolarHBondContact O-N 3.13Å; F248-A251 WeakPolarHBondContact O-CB 3.21Å; F248-A251 PolarHBondContact O-N 2.86Å; Y249-A251 VanDerWaalsContact C-N 3.33Å; A251-C255 VanDerWaalsContact O-CB 3.27Å; A251-C255 WeakPolarHBondContact O-CB 3.39Å; A251-C255 PolarHBondContact O-N 2.9Å; A251-A277 WeakPolarHBondContact CB-O 3.37Å; A251-A277 WeakPolarHBondContact O-CB 3.37Å; A251-C280 HydrophobicContact CB-CB 3.77Å; A251-L312 HydrophobicContact CB-CD2 4.07Å; A251-I316 HydrophobicContact CB-CD1 4.1Å
252Y96.6Very high97.1Very high15 Ų1517.6 Ų17.66%0.0598%0.081CC..Hα-helixtrans-57.8-47170.7-102.9-74.9000112I200 F248 Y249 M250 C255 Y256 L312I200-Y252 HydrophobicContact CD1-CE1 3.99Å; F248-Y252 HydrophobicContact CD1-CD2 4.22Å; F248-Y252 HydrophobicContact CD1-CE2 4.39Å; F248-Y252 AromaticContact CE1-CD2 3.77Å; F248-Y252 HydrophobicContact CE1-CD2 3.77Å; F248-Y252 AromaticContact CE1-CE2 3.5Å; F248-Y252 HydrophobicContact CE1-CE2 3.5Å; F248-Y252 VanDerWaalsContact CE1-CE2 3.5Å; F248-Y252 HydrophobicContact CZ-CD2 4.18Å; F248-Y252 AromaticContact CZ-CE2 3.65Å; F248-Y252 HydrophobicContact CZ-CE2 3.65Å; F248-Y252 PolarHBondContact O-N 3.04Å; F248-Y252 VanDerWaalsContact O-N 3.15Å; Y249-Y252 HydrophobicContact CD1-CD2 4.25Å; Y249-Y252 HydrophobicContact CE1-CD2 4.22Å; Y249-Y252 WeakPolarHBondContact O-CB 3.44Å; Y249-Y252 PolarHBondContact O-N 3.46Å; M250-Y252 PolarHBondContact O-N 3.48Å; Y252-C255 PolarHBondContact O-N 3.22Å; Y252-Y256 AromaticContact CD1-CD2 3.93Å; Y252-Y256 HydrophobicContact CD1-CD2 3.93Å; Y252-Y256 AromaticContact CD1-CE2 3.62Å; Y252-Y256 HydrophobicContact CD1-CE2 3.62Å; Y252-Y256 AromaticContact CE1-CE2 3.81Å; Y252-Y256 HydrophobicContact CE1-CE2 3.81Å; Y252-Y256 WeakPolarHBondContact O-CD2 3.49Å; Y252-Y256 PolarHBondContact O-N 3.18Å; Y252-L312 HydrophobicContact CD1-CD1 3.92Å; Y252-L312 HydrophobicContact CD2-CD1 3.75Å; Y252-L312 HydrophobicContact CD2-CD2 3.51Å; Y252-L312 HydrophobicContact CD2-CG 4.13Å; Y252-L312 HydrophobicContact CE1-CD1 3.95Å; Y252-L312 HydrophobicContact CE2-CB 3.96Å; Y252-L312 HydrophobicContact CE2-CD1 3.77Å; Y252-L312 HydrophobicContact CE2-CD2 3.72Å; Y252-L312 HydrophobicContact CE2-CG 4.01Å; Y252-L312 HydrophobicContact CG-CD1 3.81Å; Y252-L312 HydrophobicContact CG-CD2 4.24Å
253A97.4Very high96.9Very high0 Ų021.8 Ų21.80%012%0.115CC..Hα-helixtrans-59.4-51.1-179.200000111.6A213 F214 Y249 M250 C255 Y256 H257 L342A213-A253 HydrophobicContact CB-CB 4.02Å; F214-A253 HydrophobicContact CB-CB 3.92Å; Y249-A253 PolarHBondContact O-N 3.37Å; M250-A253 WeakPolarHBondContact O-CB 3.42Å; M250-A253 PolarHBondContact O-N 3.4Å; A253-C255 VanDerWaalsContact C-N 3.3Å; A253-C255 PolarHBondContact O-N 3.47Å; A253-Y256 PolarHBondContact O-N 3.44Å; A253-H257 WeakPolarHBondContact O-CB 3.47Å; A253-H257 PolarHBondContact O-N 3.05Å; A253-L342 HydrophobicContact CB-CD1 3.94Å
254F98.1Very high96.8Very high19 Ų1923.6 Ų23.68%0.08313%0.131CC..Hα-helixtrans-62.8-34.8176.9-80.1-61.2000113.3M250 G258 S273 E276 A277 P340 L342M250-F254 HydrophobicContact CG-CD2 3.9Å; M250-F254 HydrophobicContact CG-CE2 3.66Å; M250-F254 VanDerWaalsContact O-CD2 3.31Å; M250-F254 WeakPolarHBondContact O-CD2 3.38Å; M250-F254 PolarHBondContact O-N 2.91Å; M250-F254 HydrophobicContact SD-CD2 4.25Å; M250-F254 HydrophobicContact SD-CE2 3.81Å; F254-G258 PolarHBondContact O-N 3.33Å; F254-S273 PolarHBondContact O-OG 3.26Å; F254-E276 HydrophobicContact CD1-CB 4.17Å; F254-E276 HydrophobicContact CD1-CG 4.46Å; F254-E276 HydrophobicContact CD2-CB 4.21Å; F254-E276 HydrophobicContact CD2-CG 4.08Å; F254-E276 HydrophobicContact CE1-CB 4.26Å; F254-E276 HydrophobicContact CE1-CG 4.13Å; F254-E276 HydrophobicContact CE2-CB 4.3Å; F254-E276 HydrophobicContact CE2-CG 3.7Å; F254-E276 HydrophobicContact CG-CB 4.16Å; F254-E276 HydrophobicContact CG-CG 4.45Å; F254-E276 HydrophobicContact CZ-CB 4.34Å; F254-E276 HydrophobicContact CZ-CG 3.74Å; F254-A277 HydrophobicContact CB-CB 3.69Å; F254-P340 HydrophobicContact CD1-CG 4.33Å; F254-P340 HydrophobicContact CE1-CG 4.2Å; F254-L342 HydrophobicContact CD1-CD1 3.75Å; F254-L342 HydrophobicContact CD1-CD2 4.07Å; F254-L342 HydrophobicContact CD1-CG 4.01Å; F254-L342 HydrophobicContact CD2-CD1 4.14Å; F254-L342 HydrophobicContact CE1-CD1 3.58Å; F254-L342 HydrophobicContact CE1-CD2 3.99Å; F254-L342 HydrophobicContact CE1-CG 3.56Å; F254-L342 HydrophobicContact CE2-CD1 3.99Å; F254-L342 HydrophobicContact CG-CD1 4.02Å; F254-L342 HydrophobicContact CZ-CD1 3.69Å; F254-L342 HydrophobicContact CZ-CG 3.95Å
255C97.5Very high96.6Very high0 Ų028 Ų280%016%0.155CC..Hα-helixtrans-64.9-52.7178.4-175.80000111.8A251 Y252 A253 H257 G258 Q259 L274 A277 I316A251-C255 VanDerWaalsContact O-CB 3.27Å; A251-C255 WeakPolarHBondContact O-CB 3.39Å; A251-C255 PolarHBondContact O-N 2.9Å; Y252-C255 PolarHBondContact O-N 3.22Å; A253-C255 VanDerWaalsContact C-N 3.3Å; A253-C255 PolarHBondContact O-N 3.47Å; C255-H257 VanDerWaalsContact C-N 3.34Å; C255-G258 PolarHBondContact O-N 3.21Å; C255-Q259 PolarHBondContact O-N 2.86Å; C255-Q259 VanDerWaalsContact O-N 3.13Å; C255-L274 HydrophobicContact CB-CD2 4.31Å; C255-A277 HydrophobicContact CB-CB 4.33Å; C255-I316 HydrophobicContact CB-CG1 4.11Å
256Y96.9Very high96.5Very high20 Ų2032.6 Ų32.68%0.07818%0.175CC..Hα-helixtrans-72.2-28.1178.8-80.8-87.4000112.7I200 A206 I209 Y252 A253 Q259 T260 L315I200-Y256 HydrophobicContact CD1-CE2 4.17Å; I200-Y256 WeakPolarHBondContact CD1-OH 3.39Å; I200-Y256 WeakPolarHBondContact CG1-OH 3.5Å; A206-Y256 HydrophobicContact CB-CD1 3.94Å; I209-Y256 HydrophobicContact CB-CD1 3.81Å; I209-Y256 HydrophobicContact CB-CE1 4.16Å; I209-Y256 HydrophobicContact CB-CG 3.99Å; I209-Y256 HydrophobicContact CD1-CD1 3.98Å; I209-Y256 HydrophobicContact CD1-CE1 3.63Å; I209-Y256 HydrophobicContact CG1-CE1 4.5Å; I209-Y256 HydrophobicContact CG2-CD1 3.69Å; I209-Y256 HydrophobicContact CG2-CD2 3.61Å; I209-Y256 HydrophobicContact CG2-CE1 3.8Å; I209-Y256 HydrophobicContact CG2-CE2 3.74Å; I209-Y256 HydrophobicContact CG2-CG 3.59Å; Y252-Y256 AromaticContact CD1-CD2 3.93Å; Y252-Y256 HydrophobicContact CD1-CD2 3.93Å; Y252-Y256 AromaticContact CD1-CE2 3.62Å; Y252-Y256 HydrophobicContact CD1-CE2 3.62Å; Y252-Y256 AromaticContact CE1-CE2 3.81Å; Y252-Y256 HydrophobicContact CE1-CE2 3.81Å; Y252-Y256 WeakPolarHBondContact O-CD2 3.49Å; Y252-Y256 PolarHBondContact O-N 3.18Å; A253-Y256 PolarHBondContact O-N 3.44Å; Y256-Q259 PolarHBondContact O-N 3.4Å; Y256-T260 PolarHBondContact O-N 2.78Å; Y256-T260 PolarHBondContact O-OG1 3.28Å; Y256-L315 HydrophobicContact CE2-CD2 3.91Å
257H96.9Very high96.3Very high30 Ų3031.5 Ų31.514%0.13917%0.17CC..Hα-helixtrans-64.6-42.2169.8-173.163.6000111.3A210 A253 C255 Q259 T260 L261 L342A210-H257 HydrophobicContact CB-CB 4.22Å; A253-H257 WeakPolarHBondContact O-CB 3.47Å; A253-H257 PolarHBondContact O-N 3.05Å; C255-H257 VanDerWaalsContact C-N 3.34Å; H257-Q259 VanDerWaalsContact C-N 3.32Å; H257-Q259 PolarHBondContact O-N 3.02Å; H257-T260 WeakPolarHBondContact O-CA 3.49Å; H257-T260 VanDerWaalsContact O-CB 3.32Å; H257-T260 WeakPolarHBondContact O-CB 3.47Å; H257-T260 PolarHBondContact O-N 3.38Å; H257-L261 WeakPolarHBondContact O-CG 3.49Å; H257-L261 PolarHBondContact O-N 2.95Å; H257-L342 HydrophobicContact CB-CD2 4.02Å
258G95.9Very high96.2Very high0 Ų027.8 Ų27.80%016%0.155CC..Hα-helixtrans-57.5-43.6172.300000112.3F254 C255 T260 L261 L262 S270 S273F254-G258 PolarHBondContact O-N 3.33Å; C255-G258 PolarHBondContact O-N 3.21Å; G258-T260 VanDerWaalsContact C-N 3.29Å; G258-T260 PolarHBondContact O-N 3.19Å; G258-L261 PolarHBondContact O-N 2.91Å; G258-L262 WeakPolarHBondContact O-CB 3.15Å; G258-L262 PolarHBondContact O-N 3.31Å; G258-S270 WeakPolarHBondContact O-CB 3.13Å; G258-S270 PolarHBondContact O-OG 2.95Å; G258-S273 PolarHBondContact N-OG 2.98Å
259Q95.8Very high96.1Very high54 Ų5431.2 Ų31.225%0.25217%0.172SC..Hα-helixtrans-60.7-37.7174-65.8179.97.700112.8A206 C255 Y256 H257 L262 A263 T319A206-Q259 HydrophobicContact CB-CB 4.01Å; C255-Q259 PolarHBondContact O-N 2.86Å; C255-Q259 VanDerWaalsContact O-N 3.13Å; Y256-Q259 PolarHBondContact O-N 3.4Å; H257-Q259 VanDerWaalsContact C-N 3.32Å; H257-Q259 PolarHBondContact O-N 3.02Å; Q259-L262 PolarHBondContact O-N 2.94Å; Q259-A263 WeakPolarHBondContact O-CB 3.43Å; Q259-A263 PolarHBondContact O-N 2.77Å; Q259-T319 HydrophobicContact CG-CG2 3.78Å
260T95.6Very high96Very high30 Ų3030.9 Ų30.918%0.18417%0.17CC..Hα-helixtrans-65.8-43.6175.8-54.70000111.6S207 Y256 H257 G258 A263 S264S207-T260 WeakPolarHBondContact CA-OG1 3.13Å; S207-T260 PolarHBondContact N-OG1 2.89Å; Y256-T260 PolarHBondContact O-N 2.78Å; Y256-T260 PolarHBondContact O-OG1 3.28Å; H257-T260 WeakPolarHBondContact O-CA 3.49Å; H257-T260 VanDerWaalsContact O-CB 3.32Å; H257-T260 WeakPolarHBondContact O-CB 3.47Å; H257-T260 PolarHBondContact O-N 3.38Å; G258-T260 VanDerWaalsContact C-N 3.29Å; G258-T260 PolarHBondContact O-N 3.19Å; T260-A263 PolarHBondContact O-N 3.35Å; T260-S264 PolarHBondContact O-N 3.46Å; T260-S264 VanDerWaalsContact O-N 3.17Å; T260-S264 PolarHBondContact O-OG 3.45Å
261L95.4Very high96Very high14 Ų1429.8 Ų29.87%0.07317%0.165CC..Hα-helixtrans-64-42.2176.8-71.2169.2000111.4H257 G258 A263 S264 D265 K266 E269H257-L261 WeakPolarHBondContact O-CG 3.49Å; H257-L261 PolarHBondContact O-N 2.95Å; G258-L261 PolarHBondContact O-N 2.91Å; L261-A263 VanDerWaalsContact C-N 3.35Å; L261-A263 PolarHBondContact O-N 3.31Å; L261-S264 CarbonylContact O-C 3.54Å; L261-S264 WeakPolarHBondContact O-CA 3.49Å; L261-S264 PolarHBondContact O-N 3.21Å; L261-D265 PolarHBondContact O-N 2.88Å; L261-K266 HydrophobicContact CB-CB 4.26Å; L261-K266 HydrophobicContact CD2-CB 4.27Å; L261-K266 HydrophobicContact CD2-CD 3.92Å; L261-K266 WeakPolarHBondContact O-CB 3.32Å; L261-K266 PolarHBondContact O-N 3.36Å; L261-E269 HydrophobicContact CD1-CB 3.91Å; L261-E269 HydrophobicContact CD2-CB 4.37Å
262L94.4Very high96Very high14 Ų1430.5 Ų30.57%0.07317%0.168CC..Hα-helixtrans-60.8-44.8175.8-173.567.1000111.5G258 Q259 S264 D265 C267 K322 E326 Y331G258-L262 WeakPolarHBondContact O-CB 3.15Å; G258-L262 PolarHBondContact O-N 3.31Å; Q259-L262 PolarHBondContact O-N 2.94Å; L262-S264 PolarHBondContact O-N 3.44Å; L262-S264 VanDerWaalsContact O-N 3.16Å; L262-D265 PolarHBondContact O-N 3.03Å; L262-C267 HydrophobicContact CD1-CB 4.11Å; L262-C267 VanDerWaalsContact CD1-SG 3.6Å; L262-K322 HydrophobicContact CD2-CD 4.45Å; L262-E326 WeakPolarHBondContact CD1-OE2 3.29Å; L262-Y331 HydrophobicContact CD1-CE2 4.45Å
263A94.4Very high96Very high87 Ų8729.8 Ų29.872%0.71917%0.165SC*.Hα-helixtrans-64.9-15.4175.900000113.6Q259 T260 L261Q259-A263 WeakPolarHBondContact O-CB 3.43Å; Q259-A263 PolarHBondContact O-N 2.77Å; T260-A263 PolarHBondContact O-N 3.35Å; L261-A263 VanDerWaalsContact C-N 3.35Å; L261-A263 PolarHBondContact O-N 3.31Å
264S94.4Very high96Very high70 Ų7029.8 Ų29.849%0.4917%0.165SC..THydrogen-bonded Turntrans-101.219.1174.4-49.40000112.1T260 L261 L262 K266T260-S264 PolarHBondContact O-N 3.46Å; T260-S264 VanDerWaalsContact O-N 3.17Å; T260-S264 PolarHBondContact O-OG 3.45Å; L261-S264 CarbonylContact O-C 3.54Å; L261-S264 WeakPolarHBondContact O-CA 3.49Å; L261-S264 PolarHBondContact O-N 3.21Å; L262-S264 PolarHBondContact O-N 3.44Å; L262-S264 VanDerWaalsContact O-N 3.16Å; S264-K266 PolarHBondContact O-N 3.09Å
265D94.3Very high96Very high94 Ų9432 Ų3250%0.50318%0.176SC..THydrogen-bonded Turntrans60.211.8-176.9-62.3-52.3000115.2L261 L262 C267 Y331 H333L261-D265 PolarHBondContact O-N 2.88Å; L262-D265 PolarHBondContact O-N 3.03Å; D265-C267 VanDerWaalsContact C-N 3.26Å; D265-C267 PolarHBondContact O-N 3.01Å; D265-Y331 HydrophobicContact CB-CE1 3.79Å; D265-Y331 VanDerWaalsContact OD1-CE1 3.31Å; D265-Y331 WeakPolarHBondContact OD1-CE1 3.4Å; D265-Y331 PolarHBondContact OD1-OH 2.96Å; D265-H333 PolarHBondContact O-CE1 3Å; D265-H333 PolarHBondContact O-ND1 3.1Å
266K94.8Very high96Very high96 Ų9633.8 Ų33.842%0.41718%0.184SC..  trans-8859178.9-64.5177.9172.3-163.20111.6L261 S264 G268 E269 S270L261-K266 HydrophobicContact CB-CB 4.26Å; L261-K266 HydrophobicContact CD2-CB 4.27Å; L261-K266 HydrophobicContact CD2-CD 3.92Å; L261-K266 WeakPolarHBondContact O-CB 3.32Å; L261-K266 PolarHBondContact O-N 3.36Å; S264-K266 PolarHBondContact O-N 3.09Å; K266-G268 PolarHBondContact O-N 3.28Å; K266-E269 HydrophobicContact CB-CB 4.24Å; K266-E269 HydrophobicContact CB-CG 4.46Å; K266-E269 PolarHBondContact O-N 2.9Å; K266-S270 PolarHBondContact O-N 3.5Å
267C94.8Very high96Very high0 Ų032.8 Ų32.80%018%0.18CC..Hα-helixtrans-61-39.1-171.2-161.90000114.3L262 D265 S270 I271 C323 N327 Y331L262-C267 HydrophobicContact CD1-CB 4.11Å; L262-C267 VanDerWaalsContact CD1-SG 3.6Å; D265-C267 VanDerWaalsContact C-N 3.26Å; D265-C267 PolarHBondContact O-N 3.01Å; C267-S270 WeakPolarHBondContact O-CB 3.48Å; C267-S270 PolarHBondContact O-N 2.89Å; C267-I271 WeakPolarHBondContact O-CG1 3.35Å; C267-I271 PolarHBondContact O-N 3.2Å; C267-C323 PolarHBondContact SG-O 3.37Å; C267-N327 HydrophobicContact CB-CB 4.48Å; C267-Y331 HydrophobicContact CB-CD1 4.35Å; C267-Y331 HydrophobicContact CB-CD2 3.47Å; C267-Y331 VanDerWaalsContact CB-CD2 3.47Å; C267-Y331 HydrophobicContact CB-CE2 4.08Å; C267-Y331 HydrophobicContact CB-CG 3.63Å
268G95.6Very high96Very high1 Ų136 Ų361%0.0120%0.195CC..Hα-helixtrans-62.6-43.5176.700000113K266 I271 R272 P336K266-G268 PolarHBondContact O-N 3.28Å; G268-I271 PolarHBondContact O-N 2.97Å; G268-R272 PolarHBondContact O-N 3.13Å; G268-P336 VanDerWaalsContact O-CD 3.29Å; G268-P336 WeakPolarHBondContact O-CD 3.36Å
269E96Very high96.1Very high75 Ų7541.3 Ų41.335%0.3522%0.218SC..Hα-helixtrans-66-39.2174.6-63.5175.8-138.900111.4L261 K266 I271 R272 S273 P336L261-E269 HydrophobicContact CD1-CB 3.91Å; L261-E269 HydrophobicContact CD2-CB 4.37Å; K266-E269 HydrophobicContact CB-CB 4.24Å; K266-E269 HydrophobicContact CB-CG 4.46Å; K266-E269 PolarHBondContact O-N 2.9Å; E269-I271 PolarHBondContact O-N 2.82Å; E269-R272 PolarHBondContact O-N 2.58Å; E269-S273 PolarHBondContact O-N 3.34Å; E269-P336 HydrophobicContact CG-CG 3.94Å
270S96.1Very high96.2Very high0 Ų039.2 Ų39.20%021%0.209CC..Hα-helixtrans-59-46.8175.41750000112.4G258 K266 C267 R272 S273 L274 C323G258-S270 WeakPolarHBondContact O-CB 3.13Å; G258-S270 PolarHBondContact O-OG 2.95Å; K266-S270 PolarHBondContact O-N 3.5Å; C267-S270 WeakPolarHBondContact O-CB 3.48Å; C267-S270 PolarHBondContact O-N 2.89Å; S270-R272 VanDerWaalsContact C-N 3.3Å; S270-R272 PolarHBondContact O-N 3.44Å; S270-S273 WeakPolarHBondContact O-CB 3.39Å; S270-S273 PolarHBondContact O-N 3.03Å; S270-L274 PolarHBondContact O-N 3.47Å; S270-C323 PolarHBondContact OG-SG 3Å
271I97.6Very high96.2Very high7 Ų739.4 Ų39.44%0.03621%0.207CC..Hα-helixtrans-57-46.8175.1-69.7168.9000110.2C267 G268 E269 S273 L274 Q275 L320 C323 Q324 N327 V335C267-I271 WeakPolarHBondContact O-CG1 3.35Å; C267-I271 PolarHBondContact O-N 3.2Å; G268-I271 PolarHBondContact O-N 2.97Å; E269-I271 PolarHBondContact O-N 2.82Å; I271-S273 VanDerWaalsContact C-N 3.32Å; I271-S273 PolarHBondContact O-N 2.92Å; I271-L274 PolarHBondContact O-N 3.4Å; I271-Q275 HydrophobicContact CG2-CG 4.43Å; I271-Q275 WeakPolarHBondContact O-CG 3.2Å; I271-Q275 PolarHBondContact O-N 2.85Å; I271-L320 HydrophobicContact CG2-CD1 4.12Å; I271-C323 HydrophobicContact CG1-CB 3.69Å; I271-Q324 HydrophobicContact CD1-CG 4.31Å; I271-Q324 HydrophobicContact CG1-CG 4.41Å; I271-N327 HydrophobicContact CD1-CB 3.53Å; I271-V335 HydrophobicContact CB-CG1 4.44Å; I271-V335 HydrophobicContact CB-CG2 4.21Å; I271-V335 HydrophobicContact CD1-CG2 4.15Å; I271-V335 HydrophobicContact CG2-CG1 4.04Å; I271-V335 HydrophobicContact CG2-CG2 3.96Å
272R97.6Very high96.3Very high15 Ų1541.7 Ų41.76%0.05722%0.224CC..Hα-helixtrans-65-36.6-179.2-177.258.4-171.190.7-3.7112.5G268 E269 S270 E276 V335 P336 A337 E338G268-R272 PolarHBondContact O-N 3.13Å; E269-R272 PolarHBondContact O-N 2.58Å; S270-R272 VanDerWaalsContact C-N 3.3Å; S270-R272 PolarHBondContact O-N 3.44Å; R272-E276 IonicContact CZ-OE2 2.79Å; R272-E276 VanDerWaalsContact CZ-OE2 3.29Å; R272-E276 IonicContact NH1-OE2 2.74Å; R272-E276 PolarHBondContact NH1-OE2 3.18Å; R272-E276 IonicContact NH2-OE2 3.01Å; R272-E276 PolarHBondContact NH2-OE2 3.24Å; R272-E276 PolarHBondContact O-N 2.72Å; R272-V335 HydrophobicContact CB-CG1 3.89Å; R272-P336 VanDerWaalsContact CD-O 3.25Å; R272-P336 WeakPolarHBondContact CD-O 3.43Å; R272-P336 HydrophobicContact CG-CB 4.42Å; R272-P336 WeakPolarHBondContact CG-O 3.28Å; R272-A337 PolarHBondContact NE-O 3.24Å; R272-E338 VanDerWaalsContact CG-O 3.29Å; R272-E338 WeakPolarHBondContact CG-O 3.26Å
273S97.1Very high96.5Very high0 Ų046 Ų460%024%0.239CC..Hα-helixtrans-60.8-47.6172.6-166.30000111.2F254 G258 E269 S270 I271 Q275 E276 A277F254-S273 PolarHBondContact O-OG 3.26Å; G258-S273 PolarHBondContact N-OG 2.98Å; E269-S273 PolarHBondContact O-N 3.34Å; S270-S273 WeakPolarHBondContact O-CB 3.39Å; S270-S273 PolarHBondContact O-N 3.03Å; I271-S273 VanDerWaalsContact C-N 3.32Å; I271-S273 PolarHBondContact O-N 2.92Å; S273-Q275 PolarHBondContact O-N 3.44Å; S273-E276 WeakPolarHBondContact O-CB 3.25Å; S273-E276 PolarHBondContact O-N 3.47Å; S273-E276 VanDerWaalsContact O-N 3.09Å; S273-A277 PolarHBondContact O-N 3.26Å
274L97.3Very high96.6Very high0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-68.8-32.6-179.3-73.8158.8000113.2C255 S270 I271 E276 A277 E278 T319 L320 C323C255-L274 HydrophobicContact CB-CD2 4.31Å; S270-L274 PolarHBondContact O-N 3.47Å; I271-L274 PolarHBondContact O-N 3.4Å; L274-E276 VanDerWaalsContact C-N 3.29Å; L274-E276 PolarHBondContact O-N 2.94Å; L274-A277 WeakPolarHBondContact O-CB 3.46Å; L274-A277 PolarHBondContact O-N 3.47Å; L274-E278 PolarHBondContact O-N 2.95Å; L274-T319 HydrophobicContact CD1-CG2 3.72Å; L274-T319 HydrophobicContact CD2-CG2 3.84Å; L274-T319 HydrophobicContact CG-CG2 4.44Å; L274-L320 HydrophobicContact CB-CB 4.14Å; L274-L320 HydrophobicContact CB-CD1 3.77Å; L274-L320 HydrophobicContact CB-CG 4.46Å; L274-C323 HydrophobicContact CD1-CB 4.16Å; L274-C323 WeakPolarHBondContact CD1-SG 3.2Å
275Q97.5Very high96.6Very high66 Ų6642.2 Ų42.231%0.30820%0.199SC..Hα-helixtrans-62.5-36.6169.2-73.2173.3-2100111.9I271 S273 E278 K279 L320I271-Q275 HydrophobicContact CG2-CG 4.43Å; I271-Q275 WeakPolarHBondContact O-CG 3.2Å; I271-Q275 PolarHBondContact O-N 2.85Å; S273-Q275 PolarHBondContact O-N 3.44Å; Q275-E278 PolarHBondContact O-N 3.46Å; Q275-K279 WeakPolarHBondContact O-CG 3.18Å; Q275-K279 PolarHBondContact O-N 3.34Å; Q275-L320 HydrophobicContact CG-CD1 4.4Å
276E97.4Very high96.7Very high36 Ų3639.4 Ų39.417%0.16819%0.189CC..Hα-helixtrans-71.5-35.4174.5-154.658.4-142.400111.9F254 R272 S273 L274 E278 K279 C280 P339F254-E276 HydrophobicContact CD1-CB 4.17Å; F254-E276 HydrophobicContact CD1-CG 4.46Å; F254-E276 HydrophobicContact CD2-CB 4.21Å; F254-E276 HydrophobicContact CD2-CG 4.08Å; F254-E276 HydrophobicContact CE1-CB 4.26Å; F254-E276 HydrophobicContact CE1-CG 4.13Å; F254-E276 HydrophobicContact CE2-CB 4.3Å; F254-E276 HydrophobicContact CE2-CG 3.7Å; F254-E276 HydrophobicContact CG-CB 4.16Å; F254-E276 HydrophobicContact CG-CG 4.45Å; F254-E276 HydrophobicContact CZ-CB 4.34Å; F254-E276 HydrophobicContact CZ-CG 3.74Å; R272-E276 IonicContact CZ-OE2 2.79Å; R272-E276 VanDerWaalsContact CZ-OE2 3.29Å; R272-E276 IonicContact NH1-OE2 2.74Å; R272-E276 PolarHBondContact NH1-OE2 3.18Å; R272-E276 IonicContact NH2-OE2 3.01Å; R272-E276 PolarHBondContact NH2-OE2 3.24Å; R272-E276 PolarHBondContact O-N 2.72Å; S273-E276 WeakPolarHBondContact O-CB 3.25Å; S273-E276 PolarHBondContact O-N 3.47Å; S273-E276 VanDerWaalsContact O-N 3.09Å; L274-E276 VanDerWaalsContact C-N 3.29Å; L274-E276 PolarHBondContact O-N 2.94Å; E276-E278 VanDerWaalsContact C-N 3.34Å; E276-E278 PolarHBondContact O-N 3.37Å; E276-K279 PolarHBondContact O-N 3.36Å; E276-K279 IonicContact OE2-NZ 3.2Å; E276-K279 PolarHBondContact OE2-NZ 3.09Å; E276-K279 VanDerWaalsContact OE2-NZ 3.1Å; E276-C280 PolarHBondContact O-N 3.33Å; E276-C280 PolarHBondContact O-SG 2.83Å; E276-P339 HydrophobicContact CB-CB 4.21Å; E276-P339 HydrophobicContact CG-CB 3.83Å
277A97.4Very high96.7Very high0 Ų034.9 Ų34.90%017%0.17CC..Hα-helixtrans-59.3-44171.700000111.8A251 F254 C255 S273 L274 C280 Y281 I316A251-A277 WeakPolarHBondContact CB-O 3.37Å; A251-A277 WeakPolarHBondContact O-CB 3.37Å; F254-A277 HydrophobicContact CB-CB 3.69Å; C255-A277 HydrophobicContact CB-CB 4.33Å; S273-A277 PolarHBondContact O-N 3.26Å; L274-A277 WeakPolarHBondContact O-CB 3.46Å; L274-A277 PolarHBondContact O-N 3.47Å; A277-C280 PolarHBondContact O-N 3.05Å; A277-Y281 WeakPolarHBondContact O-CB 3.44Å; A277-Y281 PolarHBondContact O-N 3.01Å; A277-I316 HydrophobicContact CB-CD1 4.12Å; A277-I316 HydrophobicContact CB-CG1 4.23Å; A277-I316 HydrophobicContact CB-CG2 4.23Å
278E97.3Very high96.6Very high96 Ų9635 Ų3545%0.44917%0.17SC..Hα-helixtrans-61.6-46.4177-174.6175.4-136.100111.8L274 Q275 E276 C280 Y281 S282 I316L274-E278 PolarHBondContact O-N 2.95Å; Q275-E278 PolarHBondContact O-N 3.46Å; E276-E278 VanDerWaalsContact C-N 3.34Å; E276-E278 PolarHBondContact O-N 3.37Å; E278-C280 PolarHBondContact O-N 2.88Å; E278-Y281 WeakPolarHBondContact O-CB 3.43Å; E278-Y281 PolarHBondContact O-N 2.64Å; E278-S282 PolarHBondContact O-N 2.87Å; E278-S282 PolarHBondContact O-OG 3.29Å; E278-I316 HydrophobicContact CB-CG2 4.24Å
279K97.3Very high96.4Very high112 Ų11240.7 Ų40.749%0.48720%0.195SC..Hα-helixtrans-58.3-46.7174.8-69.1174.6-168.9168.40112.3Q275 E276 Y281 S282 R283Q275-K279 WeakPolarHBondContact O-CG 3.18Å; Q275-K279 PolarHBondContact O-N 3.34Å; E276-K279 PolarHBondContact O-N 3.36Å; E276-K279 IonicContact OE2-NZ 3.2Å; E276-K279 PolarHBondContact OE2-NZ 3.09Å; E276-K279 VanDerWaalsContact OE2-NZ 3.1Å; K279-Y281 VanDerWaalsContact C-N 3.31Å; K279-Y281 PolarHBondContact O-N 3.2Å; K279-S282 PolarHBondContact O-N 3.35Å; K279-R283 PolarHBondContact O-N 2.85Å
280C97.4Very high96.4Very high11 Ų1139.6 Ų39.67%0.07419%0.19CC..Hα-helixtrans-60.8-42.3177.2-70.40000111.3A251 E276 A277 E278 R283 A284A251-C280 HydrophobicContact CB-CB 3.77Å; E276-C280 PolarHBondContact O-N 3.33Å; E276-C280 PolarHBondContact O-SG 2.83Å; A277-C280 PolarHBondContact O-N 3.05Å; E278-C280 PolarHBondContact O-N 2.88Å; C280-R283 PolarHBondContact O-N 3.39Å; C280-A284 PolarHBondContact O-N 2.99Å
281Y97.3Very high96.2Very high34 Ų3439.7 Ų39.713%0.13319%0.19CC..Hα-helixtrans-63.4-46177.4-178.4-97.6000112.2A277 E278 K279 R283 A284 E285 F309 L312 G313 I316A277-Y281 WeakPolarHBondContact O-CB 3.44Å; A277-Y281 PolarHBondContact O-N 3.01Å; E278-Y281 WeakPolarHBondContact O-CB 3.43Å; E278-Y281 PolarHBondContact O-N 2.64Å; K279-Y281 VanDerWaalsContact C-N 3.31Å; K279-Y281 PolarHBondContact O-N 3.2Å; Y281-R283 VanDerWaalsContact C-N 3.28Å; Y281-R283 PolarHBondContact O-N 2.79Å; Y281-A284 WeakPolarHBondContact O-CB 3.5Å; Y281-A284 PolarHBondContact O-N 3.43Å; Y281-A284 VanDerWaalsContact O-N 3.13Å; Y281-E285 PolarHBondContact O-N 3.49Å; Y281-F309 HydrophobicContact CD2-CE1 4.46Å; Y281-F309 HydrophobicContact CD2-CZ 4.24Å; Y281-F309 AromaticContact CE1-CE1 4Å; Y281-F309 HydrophobicContact CE1-CE1 4Å; Y281-F309 HydrophobicContact CE1-CZ 4.47Å; Y281-F309 AromaticContact CE2-CD1 3.91Å; Y281-F309 HydrophobicContact CE2-CD1 3.91Å; Y281-F309 AromaticContact CE2-CE1 3.6Å; Y281-F309 HydrophobicContact CE2-CE1 3.6Å; Y281-F309 HydrophobicContact CE2-CE2 4.27Å; Y281-F309 HydrophobicContact CE2-CG 4.35Å; Y281-F309 AromaticContact CE2-CZ 3.77Å; Y281-F309 HydrophobicContact CE2-CZ 3.77Å; Y281-F309 WeakPolarHBondContact CE2-O 3.41Å; Y281-F309 AromaticContact CZ-CD1 3.72Å; Y281-F309 AromaticContact CZ-CE1 3.32Å; Y281-F309 AromaticContact CZ-CZ 3.91Å; Y281-F309 WeakPolarHBondContact OH-CD1 3.5Å; Y281-F309 WeakPolarHBondContact OH-CE1 3.39Å; Y281-F309 PolarHBondContact OH-O 3.18Å; Y281-L312 HydrophobicContact CD2-CD2 4.02Å; Y281-L312 HydrophobicContact CD2-CG 4.15Å; Y281-L312 HydrophobicContact CE2-CB 4.29Å; Y281-L312 HydrophobicContact CE2-CD2 4.48Å; Y281-L312 HydrophobicContact CE2-CG 4.38Å; Y281-G313 VanDerWaalsContact CZ-CA 3.49Å; Y281-I316 HydrophobicContact CD2-CD1 4.28Å; Y281-I316 HydrophobicContact CG-CD1 4.22Å
282S97.1Very high95.8Very high62 Ų6245.4 Ų45.443%0.43421%0.211SC..Hα-helixtrans-61.3-36.6174.8-60.60000112.3E278 K279 E285 A286E278-S282 PolarHBondContact O-N 2.87Å; E278-S282 PolarHBondContact O-OG 3.29Å; K279-S282 PolarHBondContact O-N 3.35Å; S282-E285 WeakPolarHBondContact O-CB 3.49Å; S282-E285 PolarHBondContact O-N 3.21Å; S282-A286 PolarHBondContact O-N 2.93Å
283R97.1Very high95.5Very high104 Ų10452.3 Ų52.339%0.39224%0.244SC..Hα-helixtrans-65.6-41.9173.7-176.658.9179.2157.15.9111.8Y247 K279 C280 Y281 E285 A286 L287 E290Y247-R283 HydrophobicContact CD1-CB 4.11Å; Y247-R283 HydrophobicContact CD1-CG 3.85Å; Y247-R283 HydrophobicContact CD2-CG 3.86Å; Y247-R283 HydrophobicContact CE1-CB 4.45Å; Y247-R283 HydrophobicContact CE1-CG 3.88Å; Y247-R283 HydrophobicContact CE2-CG 3.91Å; Y247-R283 HydrophobicContact CG-CB 4.26Å; Y247-R283 HydrophobicContact CG-CG 3.84Å; K279-R283 PolarHBondContact O-N 2.85Å; C280-R283 PolarHBondContact O-N 3.39Å; Y281-R283 VanDerWaalsContact C-N 3.28Å; Y281-R283 PolarHBondContact O-N 2.79Å; R283-E285 VanDerWaalsContact C-N 3.29Å; R283-E285 PolarHBondContact O-N 3.09Å; R283-A286 PolarHBondContact O-N 3.13Å; R283-L287 HydrophobicContact CG-CD1 4.29Å; R283-L287 WeakPolarHBondContact O-CG 3.37Å; R283-L287 PolarHBondContact O-N 3.31Å; R283-E290 IonicContact NH1-OE1 3.67Å
284A96.5Very high95.3Very high0 Ų053.8 Ų53.80%025%0.253CS..Hα-helixtrans-62.2-36.8174.400000111.8F248 C280 Y281 L287 C288 F309F248-A284 HydrophobicContact CB-CB 4.25Å; C280-A284 PolarHBondContact O-N 2.99Å; Y281-A284 WeakPolarHBondContact O-CB 3.5Å; Y281-A284 PolarHBondContact O-N 3.43Å; Y281-A284 VanDerWaalsContact O-N 3.13Å; A284-L287 PolarHBondContact O-N 3.16Å; A284-C288 PolarHBondContact O-N 3.01Å; A284-C288 PolarHBondContact O-SG 2.99Å; A284-F309 HydrophobicContact CB-CE2 4.01Å; A284-F309 HydrophobicContact CB-CZ 4.3Å
285E94.9Very high94.9Very high77 Ų7762.9 Ų62.936%0.3629%0.292SS..Hα-helixtrans-65.1-43.3175.5-169-173.5179.700112Y281 S282 R283 L287 C288 K289 F309Y281-E285 PolarHBondContact O-N 3.49Å; S282-E285 WeakPolarHBondContact O-CB 3.49Å; S282-E285 PolarHBondContact O-N 3.21Å; R283-E285 VanDerWaalsContact C-N 3.29Å; R283-E285 PolarHBondContact O-N 3.09Å; E285-L287 VanDerWaalsContact C-N 3.3Å; E285-L287 PolarHBondContact O-N 2.97Å; E285-C288 VanDerWaalsContact O-CB 3.3Å; E285-C288 WeakPolarHBondContact O-CB 3.24Å; E285-C288 PolarHBondContact O-N 2.74Å; E285-K289 PolarHBondContact O-N 2.77Å; E285-F309 HydrophobicContact CB-CE1 4.07Å; E285-F309 HydrophobicContact CB-CZ 3.8Å; E285-F309 HydrophobicContact CG-CE1 4.2Å; E285-F309 HydrophobicContact CG-CZ 4.37Å
286A96Very high94.3Very high36 Ų3661.1 Ų61.130%0.29829%0.292SS..Hα-helixtrans-59.4-43.4173.200000111.3S282 R283 C288 K289 E290S282-A286 PolarHBondContact O-N 2.93Å; R283-A286 PolarHBondContact O-N 3.13Å; A286-C288 VanDerWaalsContact C-N 3.28Å; A286-C288 PolarHBondContact O-N 2.92Å; A286-K289 WeakPolarHBondContact O-CB 3.16Å; A286-K289 PolarHBondContact O-N 3.11Å; A286-E290 PolarHBondContact O-N 3.22Å
287L95.9Very high93.7Very high1 Ų160.5 Ų60.51%0.00529%0.291CS..Hα-helixtrans-64.4-28.9176.6-73.2163.6000113.1K240 Q243 L244 Y247 R283 A284 E285 K289 E290 Y291K240-L287 HydrophobicContact CD-CD2 4.09Å; Q243-L287 HydrophobicContact CB-CD1 4.04Å; Q243-L287 HydrophobicContact CB-CD2 4.18Å; L244-L287 HydrophobicContact CB-CB 4Å; Y247-L287 HydrophobicContact CD2-CD1 3.51Å; Y247-L287 HydrophobicContact CE2-CD1 4.09Å; Y247-L287 HydrophobicContact CG-CD1 4.4Å; R283-L287 HydrophobicContact CG-CD1 4.29Å; R283-L287 WeakPolarHBondContact O-CG 3.37Å; R283-L287 PolarHBondContact O-N 3.31Å; A284-L287 PolarHBondContact O-N 3.16Å; E285-L287 VanDerWaalsContact C-N 3.3Å; E285-L287 PolarHBondContact O-N 2.97Å; L287-K289 VanDerWaalsContact C-N 3.31Å; L287-K289 PolarHBondContact O-N 2.82Å; L287-E290 PolarHBondContact O-N 3.01Å; L287-Y291 VanDerWaalsContact O-CB 3.29Å; L287-Y291 WeakPolarHBondContact O-CB 3.5Å; L287-Y291 PolarHBondContact O-N 2.73Å
288C92.6Very high92.9Very high2 Ų261.9 Ų61.91%0.01431%0.306CS..Hα-helixtrans-60.6-41.6170.9-650000111.5L244 A284 E285 A286 R292L244-C288 HydrophobicContact CD1-CB 4.27Å; L244-C288 WeakPolarHBondContact CD1-SG 3.35Å; A284-C288 PolarHBondContact O-N 3.01Å; A284-C288 PolarHBondContact O-SG 2.99Å; E285-C288 VanDerWaalsContact O-CB 3.3Å; E285-C288 WeakPolarHBondContact O-CB 3.24Å; E285-C288 PolarHBondContact O-N 2.74Å; A286-C288 VanDerWaalsContact C-N 3.28Å; A286-C288 PolarHBondContact O-N 2.92Å; C288-R292 PolarHBondContact O-N 2.58Å
289K92.1Very high92Very high121 Ų12160.9 Ų60.953%0.52631%0.306SS..Hα-helixtrans-68.6-45.1177.7-61.7175.4-176.2171.10110.8E285 A286 L287 R292 Q293E285-K289 PolarHBondContact O-N 2.77Å; A286-K289 WeakPolarHBondContact O-CB 3.16Å; A286-K289 PolarHBondContact O-N 3.11Å; L287-K289 VanDerWaalsContact C-N 3.31Å; L287-K289 PolarHBondContact O-N 2.82Å; K289-R292 PolarHBondContact O-N 3.4Å; K289-Q293 WeakPolarHBondContact O-CG 3.45Å; K289-Q293 PolarHBondContact O-N 2.61Å
290E94.1Very high91Very high52 Ų5258.3 Ų58.324%0.24330%0.3CS..Hα-helixtrans-60.6-45.7176.4-66177.3-14700111.6K240 R283 A286 L287 R292 Q293 T294K240-E290 HydrophobicContact CD-CB 4.19Å; K240-E290 WeakPolarHBondContact CE-OE2 3.35Å; K240-E290 IonicContact NZ-OE2 2.97Å; K240-E290 PolarHBondContact NZ-OE2 3.11Å; R283-E290 IonicContact NH1-OE1 3.67Å; A286-E290 PolarHBondContact O-N 3.22Å; L287-E290 PolarHBondContact O-N 3.01Å; E290-R292 VanDerWaalsContact C-N 3.3Å; E290-R292 PolarHBondContact O-N 3.29Å; E290-Q293 PolarHBondContact O-N 2.97Å; E290-T294 WeakPolarHBondContact O-CB 3.19Å; E290-T294 PolarHBondContact O-N 2.87Å; E290-T294 PolarHBondContact O-OG1 2.83Å
291Y93.2Very high90.1Very high1 Ų157.9 Ų57.90%0.00430%0.297CS..Hα-helixtrans-56.5-43.8176.3172.4-92.9000111.8W4 H6 K237 K240 L287 Q293 T294 T299 A301 P303W4-Y291 HydrophobicContact CH2-CD1 4.18Å; W4-Y291 AromaticContact CH2-CE1 3.88Å; W4-Y291 HydrophobicContact CH2-CE1 3.88Å; W4-Y291 HydrophobicContact CH2-CE2 4.38Å; W4-Y291 AromaticContact CH2-CZ 3.99Å; W4-Y291 HydrophobicContact CZ2-CD1 4.49Å; W4-Y291 AromaticContact CZ2-CE1 3.77Å; W4-Y291 HydrophobicContact CZ2-CE1 3.77Å; W4-Y291 AromaticContact CZ2-CZ 3.86Å; H6-Y291 AromaticContact ND1-CE2 3.77Å; H6-Y291 AromaticContact ND1-CZ 3.74Å; H6-Y291 PolarHBondContact ND1-OH 3.25Å; K237-Y291 HydrophobicContact CG-CD2 4.07Å; K237-Y291 HydrophobicContact CG-CE2 3.7Å; K237-Y291 WeakPolarHBondContact O-CD2 3.12Å; K240-Y291 HydrophobicContact CB-CD2 4.15Å; L287-Y291 VanDerWaalsContact O-CB 3.29Å; L287-Y291 WeakPolarHBondContact O-CB 3.5Å; L287-Y291 PolarHBondContact O-N 2.73Å; Y291-Q293 VanDerWaalsContact C-N 3.31Å; Y291-Q293 PolarHBondContact O-N 2.92Å; Y291-T294 PolarHBondContact O-N 3.06Å; Y291-T299 PolarHBondContact OH-O 3.45Å; Y291-A301 HydrophobicContact CE1-CB 4.44Å; Y291-P303 HydrophobicContact CD1-CG 4.41Å
292R89.9Confident89.5Confident128 Ų12858.6 Ų58.648%0.48330%0.301SS..Hα-helixtrans-64.5-35.6179.6-176.4178.4179.4-174.7-6112.8C288 K289 E290 T300C288-R292 PolarHBondContact O-N 2.58Å; K289-R292 PolarHBondContact O-N 3.4Å; E290-R292 VanDerWaalsContact C-N 3.3Å; E290-R292 PolarHBondContact O-N 3.29Å; R292-T300 HydrophobicContact CG-CG2 3.9Å
293Q91Very high88.8Confident159 Ų15955.6 Ų55.674%0.74328%0.28SS*.Hα-helixtrans-82.2-20.9179.9-68171.8-13.600112.6K289 E290 Y291 K295K289-Q293 WeakPolarHBondContact O-CG 3.45Å; K289-Q293 PolarHBondContact O-N 2.61Å; E290-Q293 PolarHBondContact O-N 2.97Å; Y291-Q293 VanDerWaalsContact C-N 3.31Å; Y291-Q293 PolarHBondContact O-N 2.92Å; Q293-K295 PolarHBondContact O-N 3.26Å
294T91.7Very high88.1Confident31 Ų3152.1 Ų52.119%0.1927%0.272CS..  trans-77.2121-177.9-57.20000110.4K237 E290 Y291K237-T294 HydrophobicContact CB-CG2 3.93Å; K237-T294 WeakPolarHBondContact CD-O 3.24Å; E290-T294 WeakPolarHBondContact O-CB 3.19Å; E290-T294 PolarHBondContact O-N 2.87Å; E290-T294 PolarHBondContact O-OG1 2.83Å; Y291-T294 PolarHBondContact O-N 3.06Å
295K88.6Confident87.5Confident191 Ų19157.4 Ų57.483%0.8330%0.296SS*.  trans-72.4147.5169.6-65.4-175.6-179.3-179.10109.8Q293Q293-K295 PolarHBondContact O-N 3.26Å
296G86.5Confident86.9Confident30 Ų3054.6 Ų54.631%0.30928%0.283SS..  trans159177.8178.300000111.8K237K237-G296 WeakPolarHBondContact CD-O 3.29Å
297P84.7Confident86.3Confident22 Ų2257.1 Ų57.114%0.14329%0.291CS..SBendtrans-57.8150.8-177-20.530.7000112.9H6 P9 T95 L96H6-P297 PolarHBondContact CE1-O 3.2Å; P9-P297 HydrophobicContact CG-CB 4.39Å; T95-P297 WeakPolarHBondContact O-CB 3.11Å; L96-P297 HydrophobicContact CD2-CG 4.19Å
298G80.6Confident85.8Confident29 Ų2957.9 Ų57.930%0.29930%0.295SS..SBendtrans83.1166.6177.700000114.9R7 K237R7-G298 VanDerWaalsContact O-CA 3.3Å; R7-G298 WeakPolarHBondContact O-CA 3.44Å; K237-G298 PolarHBondContact NZ-O 2.65Å
299T77.1Confident85.6Confident76 Ų7657.9 Ų57.947%0.46629%0.294SS..  trans-72.7143-173.952.30000112.2Y291Y291-T299 PolarHBondContact OH-O 3.45Å
300T76.6Confident85.5Confident58 Ų5856.5 Ų56.536%0.35629%0.292SS..  trans-78.2129173.4-60.30000109.5K237 R292K237-T300 PolarHBondContact NZ-OG1 3.43Å; K237-T300 VanDerWaalsContact NZ-OG1 3.13Å; R292-T300 HydrophobicContact CG-CG2 3.9Å
301A79.6Confident85.3Confident1 Ų158.7 Ų58.71%0.00830%0.301CS..BIsolated β-bridgetrans-124.5168.118000000109.9W4 Y291 P303W4-A301 HydrophobicContact CZ2-CB 3.87Å; Y291-A301 HydrophobicContact CE1-CB 4.44Å; A301-P303 WeakPolarHBondContact O-CD 3.48Å
302K84.3Confident85.3Confident49 Ų4958.6 Ų58.621%0.21330%0.301CS..  trans-117.680.9173.1-57.9-172.4-167.1175.70111.1S304 E305 G406K302-S304 VanDerWaalsContact C-N 3.29Å; K302-S304 PolarHBondContact O-N 3.26Å; K302-E305 HydrophobicContact CB-CB 4.48Å; K302-E305 HydrophobicContact CB-CG 4.44Å; K302-E305 VanDerWaalsContact CD-CD 3.42Å; K302-E305 VanDerWaalsContact CD-OE1 3.23Å; K302-E305 WeakPolarHBondContact CD-OE1 3.48Å; K302-E305 WeakPolarHBondContact CD-OE2 2.95Å; K302-E305 IonicContact NZ-OE1 2.87Å; K302-E305 PolarHBondContact NZ-OE1 3.01Å; K302-E305 VanDerWaalsContact NZ-OE1 3.17Å; K302-E305 IonicContact NZ-OE2 3.33Å; K302-E305 PolarHBondContact NZ-OE2 3.24Å; K302-E305 VanDerWaalsContact NZ-OE2 3.11Å; K302-E305 PolarHBondContact O-N 3.31Å; K302-G406 PolarHBondContact N-O 3.23Å
303P82.3Confident85.4Confident0 Ų053.3 Ų53.30%029%0.286CS..G310 helixtrans-66.3-30.7-169.7-21.435000113.5W4 L244 Y291 A301 E305 Q306 F308 F309W4-P303 HydrophobicContact CD2-CB 4.25Å; W4-P303 HydrophobicContact CD2-CG 4.15Å; W4-P303 HydrophobicContact CE3-CB 3.61Å; W4-P303 HydrophobicContact CE3-CG 3.7Å; W4-P303 HydrophobicContact CH2-CB 4.05Å; W4-P303 HydrophobicContact CH2-CG 3.2Å; W4-P303 HydrophobicContact CZ2-CG 3.7Å; W4-P303 HydrophobicContact CZ3-CB 3.5Å; W4-P303 VanDerWaalsContact CZ3-CB 3.5Å; W4-P303 HydrophobicContact CZ3-CG 3.2Å; L244-P303 HydrophobicContact CD1-CB 4.18Å; L244-P303 HydrophobicContact CD1-CG 4.13Å; Y291-P303 HydrophobicContact CD1-CG 4.41Å; A301-P303 WeakPolarHBondContact O-CD 3.48Å; P303-E305 PolarHBondContact O-N 3.5Å; P303-Q306 WeakPolarHBondContact O-CB 3.27Å; P303-Q306 PolarHBondContact O-N 3.21Å; P303-Q306 VanDerWaalsContact O-N 3.09Å; P303-F308 HydrophobicContact CB-CE1 4.28Å; P303-F308 HydrophobicContact CB-CZ 4.22Å; P303-F309 WeakPolarHBondContact O-CB 3.43Å
304S81.7Confident85.6Confident31 Ų3148.4 Ų48.422%0.21727%0.273CS..G310 helixtrans-65.2-23.2179.8560000113.8K302K302-S304 VanDerWaalsContact C-N 3.29Å; K302-S304 PolarHBondContact O-N 3.26Å
305E83.8Confident85.8Confident110 Ų11049 Ų4951%0.51427%0.274SS..G310 helixtrans-87.8-7.9177.8-65.5174.9-161.600111.7K302 P303K302-E305 HydrophobicContact CB-CB 4.48Å; K302-E305 HydrophobicContact CB-CG 4.44Å; K302-E305 VanDerWaalsContact CD-CD 3.42Å; K302-E305 VanDerWaalsContact CD-OE1 3.23Å; K302-E305 WeakPolarHBondContact CD-OE1 3.48Å; K302-E305 WeakPolarHBondContact CD-OE2 2.95Å; K302-E305 IonicContact NZ-OE1 2.87Å; K302-E305 PolarHBondContact NZ-OE1 3.01Å; K302-E305 VanDerWaalsContact NZ-OE1 3.17Å; K302-E305 IonicContact NZ-OE2 3.33Å; K302-E305 PolarHBondContact NZ-OE2 3.24Å; K302-E305 VanDerWaalsContact NZ-OE2 3.11Å; K302-E305 PolarHBondContact O-N 3.31Å; P303-E305 PolarHBondContact O-N 3.5Å
306Q81.9Confident86.2Confident18 Ų1840.1 Ų40.18%0.08424%0.236CC..SBendtrans-85.5149.6-174.7-66.5176.8-24.200112.5P303 F308 F309 L310 T405P303-Q306 WeakPolarHBondContact O-CB 3.27Å; P303-Q306 PolarHBondContact O-N 3.21Å; P303-Q306 VanDerWaalsContact O-N 3.09Å; Q306-F308 VanDerWaalsContact C-N 3.26Å; Q306-F308 HydrophobicContact CB-CD1 3.66Å; Q306-F308 HydrophobicContact CB-CE1 3.81Å; Q306-F308 PolarHBondContact O-N 2.99Å; Q306-F308 VanDerWaalsContact O-N 3.15Å; Q306-F309 WeakPolarHBondContact O-CB 3.41Å; Q306-F309 PolarHBondContact O-N 3.45Å; Q306-L310 PolarHBondContact O-N 2.78Å; Q306-T405 PolarHBondContact NE2-O 2.91Å
307L83.9Confident86.6Confident90 Ų9044.8 Ų44.847%0.47125%0.248SC..Hα-helixtrans-56.6-35.5-174.4-172.263.5000113.9F309 K311L307-F309 VanDerWaalsContact C-N 3.26Å; L307-F309 PolarHBondContact O-N 2.96Å; L307-K311 HydrophobicContact CD1-CD 4.31Å; L307-K311 HydrophobicContact CD1-CG 4.14Å; L307-K311 HydrophobicContact CG-CD 3.99Å; L307-K311 HydrophobicContact CG-CG 4.24Å; L307-K311 WeakPolarHBondContact O-CB 3.37Å; L307-K311 VanDerWaalsContact O-CG 3.29Å; L307-K311 WeakPolarHBondContact O-CG 3.43Å; L307-K311 PolarHBondContact O-N 2.91Å
308F85.1Confident87.2Confident17 Ų1747.4 Ų47.48%0.07526%0.263CS..Hα-helixtrans-60.7-39178.588.6-84.7000111.3A2 W4 F248 P303 Q306A2-F308 WeakPolarHBondContact O-CB 3.32Å; W4-F308 HydrophobicContact CB-CD1 4.21Å; W4-F308 HydrophobicContact CB-CE1 3.94Å; W4-F308 HydrophobicContact CE3-CE1 4.3Å; W4-F308 HydrophobicContact CE3-CZ 4.14Å; F248-F308 HydrophobicContact CD1-CD2 4.49Å; F248-F308 HydrophobicContact CD1-CE2 4.21Å; F248-F308 HydrophobicContact CD2-CE2 4.31Å; F248-F308 AromaticContact CE1-CD2 3.69Å; F248-F308 HydrophobicContact CE1-CD2 3.69Å; F248-F308 AromaticContact CE1-CE2 3.84Å; F248-F308 HydrophobicContact CE1-CE2 3.84Å; F248-F308 HydrophobicContact CE2-CD2 4.11Å; F248-F308 AromaticContact CE2-CE2 3.96Å; F248-F308 HydrophobicContact CE2-CE2 3.96Å; F248-F308 HydrophobicContact CG-CE2 4.43Å; F248-F308 AromaticContact CZ-CD2 3.46Å; F248-F308 HydrophobicContact CZ-CD2 3.46Å; F248-F308 VanDerWaalsContact CZ-CD2 3.46Å; F248-F308 AromaticContact CZ-CE2 3.71Å; F248-F308 HydrophobicContact CZ-CE2 3.71Å; F248-F308 WeakPolarHBondContact CZ-O 3.33Å; P303-F308 HydrophobicContact CB-CE1 4.28Å; P303-F308 HydrophobicContact CB-CZ 4.22Å; Q306-F308 VanDerWaalsContact C-N 3.26Å; Q306-F308 HydrophobicContact CB-CD1 3.66Å; Q306-F308 HydrophobicContact CB-CE1 3.81Å; Q306-F308 PolarHBondContact O-N 2.99Å; Q306-F308 VanDerWaalsContact O-N 3.15Å
309F88.6Confident87.9Confident2 Ų246.6 Ų46.61%0.00925%0.253CS..Hα-helixtrans-73.2-50-178.7-162.2-92.6000110.7F248 Y281 A284 E285 P303 Q306 L307 K311 L312 G313F248-F309 AromaticContact CD2-CD2 3.7Å; F248-F309 HydrophobicContact CD2-CD2 3.7Å; F248-F309 AromaticContact CD2-CE2 3.81Å; F248-F309 HydrophobicContact CD2-CE2 3.81Å; F248-F309 HydrophobicContact CE2-CB 4.49Å; F248-F309 AromaticContact CE2-CD2 3.71Å; F248-F309 HydrophobicContact CE2-CD2 3.71Å; F248-F309 HydrophobicContact CE2-CE2 4.22Å; F248-F309 HydrophobicContact CE2-CG 4.3Å; Y281-F309 HydrophobicContact CD2-CE1 4.46Å; Y281-F309 HydrophobicContact CD2-CZ 4.24Å; Y281-F309 AromaticContact CE1-CE1 4Å; Y281-F309 HydrophobicContact CE1-CE1 4Å; Y281-F309 HydrophobicContact CE1-CZ 4.47Å; Y281-F309 AromaticContact CE2-CD1 3.91Å; Y281-F309 HydrophobicContact CE2-CD1 3.91Å; Y281-F309 AromaticContact CE2-CE1 3.6Å; Y281-F309 HydrophobicContact CE2-CE1 3.6Å; Y281-F309 HydrophobicContact CE2-CE2 4.27Å; Y281-F309 HydrophobicContact CE2-CG 4.35Å; Y281-F309 AromaticContact CE2-CZ 3.77Å; Y281-F309 HydrophobicContact CE2-CZ 3.77Å; Y281-F309 WeakPolarHBondContact CE2-O 3.41Å; Y281-F309 AromaticContact CZ-CD1 3.72Å; Y281-F309 AromaticContact CZ-CE1 3.32Å; Y281-F309 AromaticContact CZ-CZ 3.91Å; Y281-F309 WeakPolarHBondContact OH-CD1 3.5Å; Y281-F309 WeakPolarHBondContact OH-CE1 3.39Å; Y281-F309 PolarHBondContact OH-O 3.18Å; A284-F309 HydrophobicContact CB-CE2 4.01Å; A284-F309 HydrophobicContact CB-CZ 4.3Å; E285-F309 HydrophobicContact CB-CE1 4.07Å; E285-F309 HydrophobicContact CB-CZ 3.8Å; E285-F309 HydrophobicContact CG-CE1 4.2Å; E285-F309 HydrophobicContact CG-CZ 4.37Å; P303-F309 WeakPolarHBondContact O-CB 3.43Å; Q306-F309 WeakPolarHBondContact O-CB 3.41Å; Q306-F309 PolarHBondContact O-N 3.45Å; L307-F309 VanDerWaalsContact C-N 3.26Å; L307-F309 PolarHBondContact O-N 2.96Å; F309-K311 VanDerWaalsContact C-N 3.33Å; F309-K311 PolarHBondContact O-N 2.75Å; F309-L312 PolarHBondContact O-N 3.43Å; F309-G313 PolarHBondContact O-N 3.05Å
310L90.1Very high88.8Confident92 Ų9243.6 Ų43.648%0.48223%0.234SC..Hα-helixtrans-61-38.3-178.9-61.5176.3000113Q306 L312 G313 A314Q306-L310 PolarHBondContact O-N 2.78Å; L310-L312 VanDerWaalsContact C-N 3.35Å; L310-L312 PolarHBondContact O-N 3.08Å; L310-G313 PolarHBondContact O-N 3.05Å; L310-A314 PolarHBondContact O-N 3.32Å; L310-A314 VanDerWaalsContact O-N 3.11Å
311K90.5Very high89.8Confident97 Ų9744.9 Ų44.942%0.42224%0.235SC..Hα-helixtrans-61.4-40.6178.4-81.7-179173.6178.80112.5L307 F309 L315L307-K311 HydrophobicContact CD1-CD 4.31Å; L307-K311 HydrophobicContact CD1-CG 4.14Å; L307-K311 HydrophobicContact CG-CD 3.99Å; L307-K311 HydrophobicContact CG-CG 4.24Å; L307-K311 WeakPolarHBondContact O-CB 3.37Å; L307-K311 VanDerWaalsContact O-CG 3.29Å; L307-K311 WeakPolarHBondContact O-CG 3.43Å; L307-K311 PolarHBondContact O-N 2.91Å; F309-K311 VanDerWaalsContact C-N 3.33Å; F309-K311 PolarHBondContact O-N 2.75Å; K311-L315 WeakPolarHBondContact O-CB 3.38Å; K311-L315 PolarHBondContact O-N 3.45Å; K311-L315 VanDerWaalsContact O-N 3.08Å
312L92.7Very high90.6Very high0 Ų049.3 Ų49.30%026%0.255CS..Hα-helixtrans-67.2-44.1177.7178.260.2000111.3F248 A251 Y252 Y281 F309 L310 A314 L315 I316F248-L312 HydrophobicContact CD1-CD2 4.46Å; F248-L312 HydrophobicContact CD2-CD2 3.66Å; F248-L312 HydrophobicContact CE1-CD2 4.22Å; F248-L312 HydrophobicContact CE2-CB 3.84Å; F248-L312 HydrophobicContact CE2-CD2 3.34Å; F248-L312 HydrophobicContact CE2-CG 4.21Å; F248-L312 HydrophobicContact CG-CD2 4.21Å; F248-L312 HydrophobicContact CZ-CB 3.9Å; F248-L312 HydrophobicContact CZ-CD2 3.65Å; F248-L312 HydrophobicContact CZ-CG 4.43Å; F248-L312 WeakPolarHBondContact O-CD2 3.45Å; A251-L312 HydrophobicContact CB-CD2 4.07Å; Y252-L312 HydrophobicContact CD1-CD1 3.92Å; Y252-L312 HydrophobicContact CD2-CD1 3.75Å; Y252-L312 HydrophobicContact CD2-CD2 3.51Å; Y252-L312 HydrophobicContact CD2-CG 4.13Å; Y252-L312 HydrophobicContact CE1-CD1 3.95Å; Y252-L312 HydrophobicContact CE2-CB 3.96Å; Y252-L312 HydrophobicContact CE2-CD1 3.77Å; Y252-L312 HydrophobicContact CE2-CD2 3.72Å; Y252-L312 HydrophobicContact CE2-CG 4.01Å; Y252-L312 HydrophobicContact CG-CD1 3.81Å; Y252-L312 HydrophobicContact CG-CD2 4.24Å; Y281-L312 HydrophobicContact CD2-CD2 4.02Å; Y281-L312 HydrophobicContact CD2-CG 4.15Å; Y281-L312 HydrophobicContact CE2-CB 4.29Å; Y281-L312 HydrophobicContact CE2-CD2 4.48Å; Y281-L312 HydrophobicContact CE2-CG 4.38Å; F309-L312 PolarHBondContact O-N 3.43Å; L310-L312 VanDerWaalsContact C-N 3.35Å; L310-L312 PolarHBondContact O-N 3.08Å; L312-A314 VanDerWaalsContact C-N 3.33Å; L312-A314 PolarHBondContact O-N 2.91Å; L312-L315 WeakPolarHBondContact O-CB 3.46Å; L312-L315 PolarHBondContact O-N 2.86Å; L312-L315 VanDerWaalsContact O-N 3.15Å; L312-I316 HydrophobicContact CD1-CD1 3.9Å; L312-I316 HydrophobicContact CD1-CG1 3.99Å; L312-I316 HydrophobicContact CD2-CD1 4.38Å; L312-I316 HydrophobicContact CG-CD1 3.79Å; L312-I316 HydrophobicContact CG-CG1 4.32Å; L312-I316 WeakPolarHBondContact O-CG1 3.45Å; L312-I316 PolarHBondContact O-N 3.28Å
313G93.2Very high91.1Very high16 Ų1647 Ų4717%0.16524%0.244CC..Hα-helixtrans-57.7-44.9178.100000112.6Y281 F309 L310 I316 K317Y281-G313 VanDerWaalsContact CZ-CA 3.49Å; F309-G313 PolarHBondContact O-N 3.05Å; L310-G313 PolarHBondContact O-N 3.05Å; G313-I316 PolarHBondContact O-N 3.48Å; G313-K317 WeakPolarHBondContact O-CB 3.36Å; G313-K317 PolarHBondContact O-N 3.21Å; G313-K317 VanDerWaalsContact O-N 3.1Å
314A94.8Very high91.8Very high57 Ų5751.5 Ų51.547%0.47127%0.265SS..Hα-helixtrans-63.9-40.9175.600000112.5L310 L312 T318L310-A314 PolarHBondContact O-N 3.32Å; L310-A314 VanDerWaalsContact O-N 3.11Å; L312-A314 VanDerWaalsContact C-N 3.33Å; L312-A314 PolarHBondContact O-N 2.91Å; A314-T318 WeakPolarHBondContact O-CB 3.48Å; A314-T318 VanDerWaalsContact O-CG2 3.31Å; A314-T318 WeakPolarHBondContact O-CG2 3.42Å; A314-T318 PolarHBondContact O-N 3.14Å; A314-T318 PolarHBondContact O-OG1 3.18Å
315L94.9Very high92.5Very high43 Ų4357.5 Ų57.523%0.22528%0.284CS..Hα-helixtrans-63-45.5177.5-179.963.8000111.9Y256 K311 L312 T318 T319Y256-L315 HydrophobicContact CE2-CD2 3.91Å; K311-L315 WeakPolarHBondContact O-CB 3.38Å; K311-L315 PolarHBondContact O-N 3.45Å; K311-L315 VanDerWaalsContact O-N 3.08Å; L312-L315 WeakPolarHBondContact O-CB 3.46Å; L312-L315 PolarHBondContact O-N 2.86Å; L312-L315 VanDerWaalsContact O-N 3.15Å; L315-T318 PolarHBondContact O-OG1 3.03Å; L315-T319 VanDerWaalsContact O-CB 3.26Å; L315-T319 WeakPolarHBondContact O-CB 3.33Å; L315-T319 PolarHBondContact O-N 3.47Å; L315-T319 PolarHBondContact O-OG1 3.11Å
316I96.7Very high93Very high5 Ų554.5 Ų54.53%0.02627%0.27CS..Hα-helixtrans-60.9-50.8178.4-67.9167.4000109.9A251 C255 A277 E278 Y281 L312 G313 T319 L320A251-I316 HydrophobicContact CB-CD1 4.1Å; C255-I316 HydrophobicContact CB-CG1 4.11Å; A277-I316 HydrophobicContact CB-CD1 4.12Å; A277-I316 HydrophobicContact CB-CG1 4.23Å; A277-I316 HydrophobicContact CB-CG2 4.23Å; E278-I316 HydrophobicContact CB-CG2 4.24Å; Y281-I316 HydrophobicContact CD2-CD1 4.28Å; Y281-I316 HydrophobicContact CG-CD1 4.22Å; L312-I316 HydrophobicContact CD1-CD1 3.9Å; L312-I316 HydrophobicContact CD1-CG1 3.99Å; L312-I316 HydrophobicContact CD2-CD1 4.38Å; L312-I316 HydrophobicContact CG-CD1 3.79Å; L312-I316 HydrophobicContact CG-CG1 4.32Å; L312-I316 WeakPolarHBondContact O-CG1 3.45Å; L312-I316 PolarHBondContact O-N 3.28Å; G313-I316 PolarHBondContact O-N 3.48Å; I316-T319 PolarHBondContact O-N 3.25Å; I316-L320 WeakPolarHBondContact O-CB 3.38Å; I316-L320 PolarHBondContact O-N 3.48Å
317K96.7Very high93.7Very high128 Ų12854.6 Ų54.656%0.55727%0.27SS*.Hα-helixtrans-58.6-52.9-178.2-177.1178.7176.8179.50112G313 T319 L320 E321G313-K317 WeakPolarHBondContact O-CB 3.36Å; G313-K317 PolarHBondContact O-N 3.21Å; G313-K317 VanDerWaalsContact O-N 3.1Å; K317-T319 VanDerWaalsContact C-N 3.32Å; K317-T319 PolarHBondContact O-N 2.96Å; K317-L320 PolarHBondContact O-N 2.84Å; K317-E321 WeakPolarHBondContact CE-OE1 3.26Å; K317-E321 WeakPolarHBondContact CG-OE1 3.4Å; K317-E321 WeakPolarHBondContact O-CG 3.4Å; K317-E321 PolarHBondContact O-N 3.38Å
318T96.6Very high94.3Very high77 Ų7752.3 Ų52.347%0.47227%0.269SS..Hα-helixtrans-63.6-37.2-178.8520000112.5A314 L315 K322A314-T318 WeakPolarHBondContact O-CB 3.48Å; A314-T318 VanDerWaalsContact O-CG2 3.31Å; A314-T318 WeakPolarHBondContact O-CG2 3.42Å; A314-T318 PolarHBondContact O-N 3.14Å; A314-T318 PolarHBondContact O-OG1 3.18Å; L315-T318 PolarHBondContact O-OG1 3.03Å; T318-K322 WeakPolarHBondContact O-CB 3.3Å; T318-K322 PolarHBondContact O-N 3.06Å
319T94.8Very high94.8Very high12 Ų1259.2 Ų59.27%0.07430%0.299CS..Hα-helixtrans-69.9-40.3177-51.80000111.3Q259 L274 L315 I316 K317 K322 C323Q259-T319 HydrophobicContact CG-CG2 3.78Å; L274-T319 HydrophobicContact CD1-CG2 3.72Å; L274-T319 HydrophobicContact CD2-CG2 3.84Å; L274-T319 HydrophobicContact CG-CG2 4.44Å; L315-T319 VanDerWaalsContact O-CB 3.26Å; L315-T319 WeakPolarHBondContact O-CB 3.33Å; L315-T319 PolarHBondContact O-N 3.47Å; L315-T319 PolarHBondContact O-OG1 3.11Å; I316-T319 PolarHBondContact O-N 3.25Å; K317-T319 VanDerWaalsContact C-N 3.32Å; K317-T319 PolarHBondContact O-N 2.96Å; T319-K322 WeakPolarHBondContact O-CB 3.2Å; T319-K322 PolarHBondContact O-N 3.12Å; T319-C323 PolarHBondContact O-N 2.79Å; T319-C323 PolarHBondContact O-SG 3.18Å
320L96.6Very high95.1Very high13 Ų1364.4 Ų64.47%0.06833%0.326CS..Hα-helixtrans-64.1-47.5177.1179.758.9000111.6I271 L274 Q275 I316 K317 K322 C323 Q324I271-L320 HydrophobicContact CG2-CD1 4.12Å; L274-L320 HydrophobicContact CB-CB 4.14Å; L274-L320 HydrophobicContact CB-CD1 3.77Å; L274-L320 HydrophobicContact CB-CG 4.46Å; Q275-L320 HydrophobicContact CG-CD1 4.4Å; I316-L320 WeakPolarHBondContact O-CB 3.38Å; I316-L320 PolarHBondContact O-N 3.48Å; K317-L320 PolarHBondContact O-N 2.84Å; L320-K322 VanDerWaalsContact C-N 3.27Å; L320-K322 PolarHBondContact O-N 3.37Å; L320-C323 PolarHBondContact O-N 3.28Å; L320-C323 VanDerWaalsContact O-N 3.15Å; L320-Q324 HydrophobicContact CD1-CG 4.22Å; L320-Q324 HydrophobicContact CG-CG 4.5Å; L320-Q324 WeakPolarHBondContact O-CG 3.14Å; L320-Q324 PolarHBondContact O-N 2.88Å
321E97Very high95.4Very high84 Ų8462.6 Ų62.639%0.39331%0.313SS..Hα-helixtrans-59.5-38.7175.8-72.1171.4-178.300111.6K317 R325K317-E321 WeakPolarHBondContact CE-OE1 3.26Å; K317-E321 WeakPolarHBondContact CG-OE1 3.4Å; K317-E321 WeakPolarHBondContact O-CG 3.4Å; K317-E321 PolarHBondContact O-N 3.38Å; E321-R325 VanDerWaalsContact O-CG 3.31Å; E321-R325 WeakPolarHBondContact O-CG 3.43Å; E321-R325 PolarHBondContact O-N 3.39Å; E321-R325 VanDerWaalsContact O-N 3.08Å; E321-R325 PolarHBondContact O-NE 3.06Å
322K95.9Very high95.7Very high94 Ų9464.9 Ų64.941%0.40932%0.323SS..Hα-helixtrans-59.9-52.6172.4179.9-174170.6-174.10111.3L262 T318 T319 L320 Q324 R325 E326L262-K322 HydrophobicContact CD2-CD 4.45Å; T318-K322 WeakPolarHBondContact O-CB 3.3Å; T318-K322 PolarHBondContact O-N 3.06Å; T319-K322 WeakPolarHBondContact O-CB 3.2Å; T319-K322 PolarHBondContact O-N 3.12Å; L320-K322 VanDerWaalsContact C-N 3.27Å; L320-K322 PolarHBondContact O-N 3.37Å; K322-Q324 VanDerWaalsContact C-N 3.34Å; K322-Q324 PolarHBondContact O-N 2.73Å; K322-R325 PolarHBondContact O-N 3.05Å; K322-E326 WeakPolarHBondContact CE-OE1 3.33Å; K322-E326 WeakPolarHBondContact CG-OE1 2.94Å; K322-E326 IonicContact NZ-OE1 3.8Å; K322-E326 PolarHBondContact O-N 3.27Å
323C95.4Very high95.8Very high0 Ų068.7 Ų68.70%034%0.341CS..Hα-helixtrans-63.4-39.1-178.2-61.40000112.1C267 S270 I271 L274 T319 L320 E326 N327C267-C323 PolarHBondContact SG-O 3.37Å; S270-C323 PolarHBondContact OG-SG 3Å; I271-C323 HydrophobicContact CG1-CB 3.69Å; L274-C323 HydrophobicContact CD1-CB 4.16Å; L274-C323 WeakPolarHBondContact CD1-SG 3.2Å; T319-C323 PolarHBondContact O-N 2.79Å; T319-C323 PolarHBondContact O-SG 3.18Å; L320-C323 PolarHBondContact O-N 3.28Å; L320-C323 VanDerWaalsContact O-N 3.15Å; C323-E326 PolarHBondContact O-N 3.41Å; C323-N327 VanDerWaalsContact O-CB 3.29Å; C323-N327 WeakPolarHBondContact O-CB 3.13Å; C323-N327 PolarHBondContact O-N 3.12Å
324Q96.3Very high96Very high95 Ų9577.1 Ų77.144%0.44437%0.373SS..Hα-helixtrans-63.1-42.8176.2-74175.5-20.800112.2I271 L320 K322 N327 G328I271-Q324 HydrophobicContact CD1-CG 4.31Å; I271-Q324 HydrophobicContact CG1-CG 4.41Å; L320-Q324 HydrophobicContact CD1-CG 4.22Å; L320-Q324 HydrophobicContact CG-CG 4.5Å; L320-Q324 WeakPolarHBondContact O-CG 3.14Å; L320-Q324 PolarHBondContact O-N 2.88Å; K322-Q324 VanDerWaalsContact C-N 3.34Å; K322-Q324 PolarHBondContact O-N 2.73Å; Q324-N327 PolarHBondContact O-N 2.81Å; Q324-G328 PolarHBondContact O-N 2.75Å
325R96.9Very high96Very high158 Ų15876.8 Ų76.860%0.59637%0.365SS*.Hα-helixtrans-63.5-50.4174.9-72.5-176.2-59.3-177.73.8111.3E321 K322 N327 G328 F329E321-R325 VanDerWaalsContact O-CG 3.31Å; E321-R325 WeakPolarHBondContact O-CG 3.43Å; E321-R325 PolarHBondContact O-N 3.39Å; E321-R325 VanDerWaalsContact O-N 3.08Å; E321-R325 PolarHBondContact O-NE 3.06Å; K322-R325 PolarHBondContact O-N 3.05Å; R325-N327 VanDerWaalsContact C-N 3.27Å; R325-N327 PolarHBondContact O-N 2.82Å; R325-G328 PolarHBondContact O-N 2.97Å; R325-G328 VanDerWaalsContact O-N 3.07Å; R325-F329 HydrophobicContact CB-CD2 4.39Å; R325-F329 WeakPolarHBondContact O-CD2 3.45Å; R325-F329 PolarHBondContact O-N 3.13Å
326E95.6Very high96.1Very high47 Ų4777.1 Ų77.122%0.2237%0.37CS..Hα-helixtrans-60.2-39179-72-176.8-159.600111.9L262 K322 C323 G328 F329 I330 Y331L262-E326 WeakPolarHBondContact CD1-OE2 3.29Å; K322-E326 WeakPolarHBondContact CE-OE1 3.33Å; K322-E326 WeakPolarHBondContact CG-OE1 2.94Å; K322-E326 IonicContact NZ-OE1 3.8Å; K322-E326 PolarHBondContact O-N 3.27Å; C323-E326 PolarHBondContact O-N 3.41Å; E326-G328 VanDerWaalsContact C-N 3.35Å; E326-G328 PolarHBondContact O-N 3.32Å; E326-F329 PolarHBondContact O-N 3.11Å; E326-I330 HydrophobicContact CG-CD1 4.36Å; E326-I330 WeakPolarHBondContact O-CA 3.28Å; E326-I330 VanDerWaalsContact O-CB 3.29Å; E326-I330 WeakPolarHBondContact O-CB 3.38Å; E326-I330 PolarHBondContact O-N 2.88Å; E326-Y331 HydrophobicContact CB-CD2 4.12Å; E326-Y331 HydrophobicContact CB-CE2 4.06Å; E326-Y331 PolarHBondContact O-N 2.71Å
327N96.4Very high95.8Very high19 Ų1981 Ų8110%0.10240%0.403CS..Iπ-helixtrans-67.6-34.9175.1-157.251.7000113C267 I271 C323 Q324 R325 F332 H333C267-N327 HydrophobicContact CB-CB 4.48Å; I271-N327 HydrophobicContact CD1-CB 3.53Å; C323-N327 VanDerWaalsContact O-CB 3.29Å; C323-N327 WeakPolarHBondContact O-CB 3.13Å; C323-N327 PolarHBondContact O-N 3.12Å; Q324-N327 PolarHBondContact O-N 2.81Å; R325-N327 VanDerWaalsContact C-N 3.27Å; R325-N327 PolarHBondContact O-N 2.82Å; N327-F332 VanDerWaalsContact O-CA 3.25Å; N327-F332 WeakPolarHBondContact O-CA 2.99Å; N327-F332 PolarHBondContact O-N 2.79Å; N327-H333 PolarHBondContact ND2-O 3.23Å; N327-H333 WeakPolarHBondContact OD1-CB 3.46Å; N327-H333 PolarHBondContact OD1-N 3.26Å; N327-H333 PolarHBondContact OD1-O 3.41Å
328G96.1Very high95.5Very high42 Ų4282 Ų8243%0.43341%0.409SS..Iπ-helixtrans-76.6-19.8179.300000114.8Q324 R325 E326 F332Q324-G328 PolarHBondContact O-N 2.75Å; R325-G328 PolarHBondContact O-N 2.97Å; R325-G328 VanDerWaalsContact O-N 3.07Å; E326-G328 VanDerWaalsContact C-N 3.35Å; E326-G328 PolarHBondContact O-N 3.32Å; G328-F332 WeakPolarHBondContact O-CE1 3.46Å; G328-F332 WeakPolarHBondContact O-CZ 3.31Å
329F95.9Very high95.1Very high162 Ų16280.2 Ų80.271%0.71140%0.399SS*.Iπ-helixtrans-113.8-29.3-177.8-68.9-65.9000114.4R325 E326R325-F329 HydrophobicContact CB-CD2 4.39Å; R325-F329 WeakPolarHBondContact O-CD2 3.45Å; R325-F329 PolarHBondContact O-N 3.13Å; E326-F329 PolarHBondContact O-N 3.11Å
330I95.2Very high94.7Very high111 Ų11181 Ų8157%0.56940%0.404SS*.Iπ-helixtrans-117.8-59.8-168.7-52.9175.9000110.8E326E326-I330 HydrophobicContact CG-CD1 4.36Å; E326-I330 WeakPolarHBondContact O-CA 3.28Å; E326-I330 VanDerWaalsContact O-CB 3.29Å; E326-I330 WeakPolarHBondContact O-CB 3.38Å; E326-I330 PolarHBondContact O-N 2.88Å
331Y95.7Very high94.2Very high54 Ų5488.4 Ų88.421%0.21244%0.438CS..Iπ-helixtrans-90.1-38.2-164.3-63.6-79.1000114.5L262 D265 C267 E326 H333L262-Y331 HydrophobicContact CD1-CE2 4.45Å; D265-Y331 HydrophobicContact CB-CE1 3.79Å; D265-Y331 VanDerWaalsContact OD1-CE1 3.31Å; D265-Y331 WeakPolarHBondContact OD1-CE1 3.4Å; D265-Y331 PolarHBondContact OD1-OH 2.96Å; C267-Y331 HydrophobicContact CB-CD1 4.35Å; C267-Y331 HydrophobicContact CB-CD2 3.47Å; C267-Y331 VanDerWaalsContact CB-CD2 3.47Å; C267-Y331 HydrophobicContact CB-CE2 4.08Å; C267-Y331 HydrophobicContact CB-CG 3.63Å; E326-Y331 HydrophobicContact CB-CD2 4.12Å; E326-Y331 HydrophobicContact CB-CE2 4.06Å; E326-Y331 PolarHBondContact O-N 2.71Å; Y331-H333 AromaticContact CD1-CE1 3.82Å; Y331-H333 PolarHBondContact O-CD2 3.23Å; Y331-H333 PolarHBondContact O-N 2.91Å; Y331-H333 VanDerWaalsContact O-N 3.08Å
332F95.4Very high93.6Very high146 Ų14685.3 Ų85.364%0.6442%0.424SS*.  trans51.429.1-174-52.9-80.8000114N327 G328N327-F332 VanDerWaalsContact O-CA 3.25Å; N327-F332 WeakPolarHBondContact O-CA 2.99Å; N327-F332 PolarHBondContact O-N 2.79Å; G328-F332 WeakPolarHBondContact O-CE1 3.46Å; G328-F332 WeakPolarHBondContact O-CZ 3.31Å
333H96.8Very high92.9Very high79 Ų7988.9 Ų88.937%0.36644%0.442SS..PPolyproline II helixtrans-71.5140.2-179.8-68.3171.6000110.7D265 N327 Y331 V335D265-H333 PolarHBondContact O-CE1 3Å; D265-H333 PolarHBondContact O-ND1 3.1Å; N327-H333 PolarHBondContact ND2-O 3.23Å; N327-H333 WeakPolarHBondContact OD1-CB 3.46Å; N327-H333 PolarHBondContact OD1-N 3.26Å; N327-H333 PolarHBondContact OD1-O 3.41Å; Y331-H333 AromaticContact CD1-CE1 3.82Å; Y331-H333 PolarHBondContact O-CD2 3.23Å; Y331-H333 PolarHBondContact O-N 2.91Å; Y331-H333 VanDerWaalsContact O-N 3.08Å; H333-V335 PolarHBondContact O-N 3.3Å
334K95.4Very high92.3Very high193 Ų19390.6 Ų90.684%0.83945%0.451SS*.PPolyproline II helixtrans-66.2130.5171.7-171.6177.4-179.2-1790109.2P336K334-P336 WeakPolarHBondContact O-CD 3.19Å
335V96.5Very high91.7Very high51 Ų5194.6 Ų94.631%0.30947%0.468SS..PPolyproline II helixtrans-74.9122.6173.3-176.30000108.4I271 R272 H333I271-V335 HydrophobicContact CB-CG1 4.44Å; I271-V335 HydrophobicContact CB-CG2 4.21Å; I271-V335 HydrophobicContact CD1-CG2 4.15Å; I271-V335 HydrophobicContact CG2-CG1 4.04Å; I271-V335 HydrophobicContact CG2-CG2 3.96Å; R272-V335 HydrophobicContact CB-CG1 3.89Å; H333-V335 PolarHBondContact O-N 3.3Å
336P95.2Very high91Very high50 Ų5087.7 Ų87.733%0.32544%0.444SS..PPolyproline II helixtrans-60.4151.6175.9-22.533000112.2G268 E269 R272 K334G268-P336 VanDerWaalsContact O-CD 3.29Å; G268-P336 WeakPolarHBondContact O-CD 3.36Å; E269-P336 HydrophobicContact CG-CG 3.94Å; R272-P336 VanDerWaalsContact CD-O 3.25Å; R272-P336 WeakPolarHBondContact CD-O 3.43Å; R272-P336 HydrophobicContact CG-CB 4.42Å; R272-P336 WeakPolarHBondContact CG-O 3.28Å; K334-P336 WeakPolarHBondContact O-CD 3.19Å
337A91.1Very high89.9Confident87 Ų8789.6 Ų89.672%0.71946%0.463SS*.SBendtrans-74.6-44175.900000111.7R272R272-A337 PolarHBondContact NE-O 3.24Å
338E91.6Very high88.9Confident147 Ų14797.7 Ų97.769%0.68749%0.493SS*.SBendtrans-87.6146.1-178-65.8-55143.200112.1R272R272-E338 VanDerWaalsContact CG-O 3.29Å; R272-E338 WeakPolarHBondContact CG-O 3.26Å
339P87.9Confident87.9Confident40 Ų4097.6 Ų97.626%0.2649%0.492SS..PPolyproline II helixtrans-68.3152.4175.327.8-25.7000110.8E276 Q341E276-P339 HydrophobicContact CB-CB 4.21Å; E276-P339 HydrophobicContact CG-CB 3.83Å; P339-Q341 PolarHBondContact O-N 2.66Å
340P86.1Confident87.4Confident28 Ų2892.7 Ų92.718%0.18247%0.473CS..PPolyproline II helixtrans-62.2136.3171.826.9-32.4000110F254 L342F254-P340 HydrophobicContact CD1-CG 4.33Å; F254-P340 HydrophobicContact CE1-CG 4.2Å; P340-L342 PolarHBondContact O-N 2.96Å
341Q86.3Confident87.1Confident169 Ų16987.5 Ų87.579%0.7945%0.447SS*.PPolyproline II helixtrans-76.4120.5172.1-68.6-178.7-3.600109P339 E343P339-Q341 PolarHBondContact O-N 2.66Å; Q341-E343 PolarHBondContact O-N 3.29Å
342L84.3Confident86.9Confident19 Ų1990 Ų9010%0.09946%0.461CS..  trans-84102.1178.3-61.9-178.7000109.5F214 M250 A253 F254 H257 P340 L344F214-L342 HydrophobicContact CD2-CB 3.79Å; F214-L342 HydrophobicContact CD2-CD1 3.79Å; F214-L342 HydrophobicContact CD2-CG 4.47Å; F214-L342 WeakPolarHBondContact CE1-O 3.41Å; F214-L342 HydrophobicContact CE2-CB 3.61Å; F214-L342 HydrophobicContact CE2-CD1 4.19Å; F214-L342 HydrophobicContact CG-CB 4.4Å; F214-L342 HydrophobicContact CZ-CB 4.09Å; F214-L342 WeakPolarHBondContact CZ-O 3.33Å; M250-L342 HydrophobicContact SD-CD1 3.89Å; A253-L342 HydrophobicContact CB-CD1 3.94Å; F254-L342 HydrophobicContact CD1-CD1 3.75Å; F254-L342 HydrophobicContact CD1-CD2 4.07Å; F254-L342 HydrophobicContact CD1-CG 4.01Å; F254-L342 HydrophobicContact CD2-CD1 4.14Å; F254-L342 HydrophobicContact CE1-CD1 3.58Å; F254-L342 HydrophobicContact CE1-CD2 3.99Å; F254-L342 HydrophobicContact CE1-CG 3.56Å; F254-L342 HydrophobicContact CE2-CD1 3.99Å; F254-L342 HydrophobicContact CG-CD1 4.02Å; F254-L342 HydrophobicContact CZ-CD1 3.69Å; F254-L342 HydrophobicContact CZ-CG 3.95Å; H257-L342 HydrophobicContact CB-CD2 4.02Å; P340-L342 PolarHBondContact O-N 2.96Å; L342-L344 HydrophobicContact CB-CG 4.45Å; L342-L344 HydrophobicContact CD2-CD1 4.07Å; L342-L344 HydrophobicContact CD2-CG 4.4Å
343E81.1Confident86.9Confident169 Ų16984 Ų8479%0.7944%0.436SS*.  trans-107.749.8167.9-64.2-171.3170.600110.2Q341Q341-E343 PolarHBondContact O-N 3.29Å
344L83.1Confident86.9Confident36 Ų3683 Ų8319%0.18844%0.436CS..  trans-85.1134.3-175.6-55.6179.4000110.2A210 A211 F214 L342A210-L344 HydrophobicContact CB-CD1 3.67Å; A211-L344 HydrophobicContact CB-CB 3.93Å; F214-L344 HydrophobicContact CB-CB 4.3Å; F214-L344 HydrophobicContact CB-CD1 4.42Å; F214-L344 HydrophobicContact CD1-CB 4.11Å; F214-L344 WeakPolarHBondContact CD1-O 3.38Å; F214-L344 HydrophobicContact CG-CB 4.4Å; L342-L344 HydrophobicContact CB-CG 4.45Å; L342-L344 HydrophobicContact CD2-CD1 4.07Å; L342-L344 HydrophobicContact CD2-CG 4.4Å
345K83.9Confident86.7Confident180 Ų18079 Ų7978%0.78343%0.429SS*.  trans-123.1129.7169.7-70-172.3178.2-179.30109.4S347K345-S347 PolarHBondContact O-N 3.31Å
346A80.9Confident86.6Confident12 Ų1278.2 Ų78.210%0.09942%0.422CS..  trans-74.8122.2177.200000109.2A211 L212 E215 Y348 L350A211-A346 HydrophobicContact CB-CB 4.21Å; L212-A346 HydrophobicContact CD2-CB 3.79Å; L212-A346 HydrophobicContact CG-CB 4.3Å; E215-A346 HydrophobicContact CG-CB 4.19Å; E215-A346 PolarHBondContact OE1-N 3.44Å; A346-Y348 VanDerWaalsContact C-N 3.32Å; A346-L350 HydrophobicContact CB-CD2 4.02Å; A346-L350 HydrophobicContact CB-CG 4.31Å
347S73.2Confident86.4Confident88 Ų8883.5 Ų83.562%0.61544%0.442SS*.SBendtrans-72.6-26.3178.548.20000113.1K345K345-S347 PolarHBondContact O-N 3.31Å
348Y74.8Confident86.5Confident188 Ų18881.2 Ų81.274%0.73742%0.417SS*.SBendtrans-149.6160.2-179.4-59.2-80.6000110.5L212 A346L212-Y348 WeakPolarHBondContact CD2-O 3.48Å; A346-Y348 VanDerWaalsContact C-N 3.32Å
349G76.6Confident86.7Confident40 Ų4074.8 Ų74.841%0.41239%0.388SS..  trans90.111.5169.900000115.7Q192 T195Q192-G349 PolarHBondContact NE2-O 3.35Å; Q192-G349 PolarHBondContact OE1-O 3.08Å; T195-G349 WeakPolarHBondContact CG2-O 3.47Å
350L84.6Confident87Confident60 Ų6078.2 Ų78.231%0.31441%0.41SS..  trans-69.1133.9172.3-65.9177.2000111.3E215 A346 E352E215-L350 HydrophobicContact CB-CD2 4.02Å; E215-L350 HydrophobicContact CG-CD2 4.11Å; A346-L350 HydrophobicContact CB-CD2 4.02Å; A346-L350 HydrophobicContact CB-CG 4.31Å; L350-E352 PolarHBondContact O-N 2.67Å
351A87.7Confident87.3Confident2 Ų279.9 Ų79.92%0.01742%0.417CS..  trans-80.9106.8-179.400000111.3Q188 A191Q188-A351 PolarHBondContact NE2-O 3.37Å; A191-A351 HydrophobicContact CB-CB 3.73Å
352E92.5Very high87.8Confident107 Ų10772.8 Ų72.850%0.539%0.387SS..PPolyproline II helixtrans-95.7142.7175-68-58146.300112.7K148 L350 V354K148-E352 WeakPolarHBondContact CE-O 3.43Å; L350-E352 PolarHBondContact O-N 2.67Å; E352-V354 PolarHBondContact O-N 3Å
353P95.9Very high88.2Confident20 Ų2080.8 Ų80.813%0.1342%0.424CS..PPolyproline II helixtrans-56.2137.2173.1-24.135.4000111.8A151 K155 Q188A151-P353 HydrophobicContact CB-CB 3.99Å; A151-P353 HydrophobicContact CB-CG 4.07Å; K155-P353 HydrophobicContact CD-CB 4.33Å; K155-P353 HydrophobicContact CD-CG 4.24Å; Q188-P353 HydrophobicContact CG-CG 4.35Å
354V95.4Very high88.8Confident58 Ų5875.7 Ų75.735%0.35240%0.4SS..PPolyproline II helixtrans-79.6125.8172171.30000108.1K148 V149 G152 E352 F356K148-V354 HydrophobicContact CB-CG2 3.89Å; K148-V354 PolarHBondContact O-N 2.85Å; V149-V354 HydrophobicContact CG2-CB 4.4Å; G152-V354 WeakPolarHBondContact CA-O 3.06Å; E352-V354 PolarHBondContact O-N 3Å; V354-F356 PolarHBondContact O-N 3.28Å
355P92.6Very high89.2Confident108 Ų10874.2 Ų74.270%0.70139%0.393SS*.PPolyproline II helixtrans-52.2127.8177.4-27.335.3000111.6
356F93.1Very high89.6Confident35 Ų3567.8 Ų67.815%0.15437%0.368CS..PPolyproline II helixtrans-99.6130.1174.3171.8-106.3000109.3I153 T156 V354 L358I153-F356 HydrophobicContact CB-CB 4.46Å; I153-F356 HydrophobicContact CB-CG 4.28Å; I153-F356 HydrophobicContact CD1-CD2 4.38Å; I153-F356 HydrophobicContact CG1-CB 3.96Å; I153-F356 HydrophobicContact CG1-CD1 4.29Å; I153-F356 HydrophobicContact CG1-CD2 3.52Å; I153-F356 HydrophobicContact CG1-CE2 4.03Å; I153-F356 HydrophobicContact CG1-CG 3.65Å; I153-F356 HydrophobicContact CG2-CD1 4.45Å; T156-F356 HydrophobicContact CG2-CD1 4.05Å; T156-F356 WeakPolarHBondContact CG2-O 3.03Å; T156-F356 PolarHBondContact OG1-O 3.48Å; T156-F356 VanDerWaalsContact OG1-O 3.08Å; V354-F356 PolarHBondContact O-N 3.28Å; F356-L358 HydrophobicContact CE1-CD2 3.78Å; F356-L358 HydrophobicContact CE1-CG 4.29Å; F356-L358 HydrophobicContact CZ-CD2 3.82Å
357E91.8Very high90.1Very high161 Ų16169.9 Ų69.975%0.75238%0.381SS*.  trans-123.2141.7173.6-66.6-179.2179.100108.8
358L92.9Very high90.9Very high38 Ų3871.9 Ų71.920%0.19938%0.381CS..PPolyproline II helixtrans-69.1149.8171.7-69.3173.5000109.9F65 Q69 L111 H161 F356F65-L358 HydrophobicContact CB-CD2 4.38Å; F65-L358 HydrophobicContact CD2-CD2 4.28Å; F65-L358 HydrophobicContact CG-CD2 4.37Å; Q69-L358 HydrophobicContact CG-CD1 4.39Å; L111-L358 HydrophobicContact CD1-CD1 4.39Å; L111-L358 HydrophobicContact CD1-CD2 3.91Å; L111-L358 HydrophobicContact CD2-CD1 3.92Å; H161-L358 VanDerWaalsContact CE1-CD1 3.42Å; H161-L358 WeakPolarHBondContact CE1-CD1 3.36Å; F356-L358 HydrophobicContact CE1-CD2 3.78Å; F356-L358 HydrophobicContact CE1-CG 4.29Å; F356-L358 HydrophobicContact CZ-CD2 3.82Å
359P95.6Very high91.8Very high13 Ų1364 Ų648%0.08435%0.352CS..PPolyproline II helixtrans-59.8158.917331.8-41.2000110.5D62 F65 Q69D62-P359 HydrophobicContact CB-CB 3.96Å; D62-P359 HydrophobicContact CB-CG 4.3Å; D62-P359 WeakPolarHBondContact O-CG 3.47Å; F65-P359 HydrophobicContact CB-CG 3.73Å; Q69-P359 PolarHBondContact NE2-O 3.01Å
360P93.8Very high92.5Very high111 Ų11162.5 Ų62.572%0.72133%0.334SS*.PPolyproline II helixtrans-58155169.827-34.5000110.9S66 S362S66-P360 WeakPolarHBondContact CB-O 3.28Å; P360-S362 PolarHBondContact O-N 3.33Å
361L94.1Very high92.8Very high63 Ų6363 Ų6333%0.3335%0.347SS..PPolyproline II helixtrans-56.9138173.8-176.373.8000110.1Q69 L75 C365Q69-L361 HydrophobicContact CB-CD1 3.87Å; L75-L361 HydrophobicContact CD2-CD1 4.33Å; L75-L361 HydrophobicContact CD2-CD2 3.29Å; L75-L361 HydrophobicContact CD2-CG 4.44Å; L361-C365 HydrophobicContact CD1-CB 3.76Å; L361-C365 HydrophobicContact CD2-CB 3.88Å; L361-C365 HydrophobicContact CG-CB 3.77Å
362S95.3Very high93Very high20 Ų2065.2 Ų65.214%0.1436%0.36CS..PPolyproline II helixtrans-59.2138.2176.6178.40000111.1S66 L67 P360 Q364 C365S66-S362 PolarHBondContact O-N 3.4Å; L67-S362 WeakPolarHBondContact CD2-OG 3.18Å; P360-S362 PolarHBondContact O-N 3.33Å; S362-Q364 PolarHBondContact O-N 2.94Å; S362-Q364 PolarHBondContact OG-N 3.45Å; S362-C365 WeakPolarHBondContact O-CB 3.43Å; S362-C365 PolarHBondContact O-N 2.99Å
363E93.9Very high93Very high188 Ų18860.1 Ų60.188%0.87934%0.336SS*.THydrogen-bonded Turntrans-58.4-20.3175.7-62.6-178.817100112.8C365 T366E363-C365 VanDerWaalsContact C-N 3.25Å; E363-C365 PolarHBondContact O-N 2.64Å; E363-T366 WeakPolarHBondContact O-CG2 3.4Å
364Q92.4Very high92.7Very high61 Ų6161.5 Ų61.529%0.28534%0.342SS..THydrogen-bonded Turntrans-69.8-23.7174.8-56.1-167.860.300112.7K31 I32 D35 L67 S362 T366K31-Q364 VanDerWaalsContact NZ-CD 3.35Å; I32-Q364 HydrophobicContact CD1-CB 4.43Å; I32-Q364 WeakPolarHBondContact CD1-O 3.43Å; I32-Q364 HydrophobicContact CG1-CB 4.16Å; D35-Q364 PolarHBondContact OD2-NE2 3.42Å; D35-Q364 PolarHBondContact OD2-OE1 3.35Å; D35-Q364 VanDerWaalsContact OD2-OE1 3.14Å; L67-Q364 HydrophobicContact CD2-CB 4.5Å; S362-Q364 PolarHBondContact O-N 2.94Å; S362-Q364 PolarHBondContact OG-N 3.45Å; Q364-T366 VanDerWaalsContact C-N 3.34Å; Q364-T366 PolarHBondContact O-N 3.27Å; Q364-T366 VanDerWaalsContact O-N 3.09Å
365C92.1Very high92.3Very high6 Ų662.5 Ų62.54%0.04135%0.345CS..  trans-87.569.3-174.2-640000111.6L361 S362 E363 Y370L361-C365 HydrophobicContact CD1-CB 3.76Å; L361-C365 HydrophobicContact CD2-CB 3.88Å; L361-C365 HydrophobicContact CG-CB 3.77Å; S362-C365 WeakPolarHBondContact O-CB 3.43Å; S362-C365 PolarHBondContact O-N 2.99Å; E363-C365 VanDerWaalsContact C-N 3.25Å; E363-C365 PolarHBondContact O-N 2.64Å; C365-Y370 HydrophobicContact CB-CD2 4.49Å; C365-Y370 HydrophobicContact CB-CE2 3.73Å
366T92.4Very high91.9Very high44 Ų4463.4 Ų63.427%0.2735%0.349SS..  trans-93.5155.4177.487.10000112.3E363 Q364 E368 V369 Y370E363-T366 WeakPolarHBondContact O-CG2 3.4Å; Q364-T366 VanDerWaalsContact C-N 3.34Å; Q364-T366 PolarHBondContact O-N 3.27Å; Q364-T366 VanDerWaalsContact O-N 3.09Å; T366-E368 WeakPolarHBondContact CB-OE2 3.33Å; T366-E368 PolarHBondContact O-N 3.32Å; T366-E368 PolarHBondContact OG1-N 2.74Å; T366-E368 PolarHBondContact OG1-OE2 2.61Å; T366-V369 PolarHBondContact O-N 2.94Å; T366-V369 PolarHBondContact OG1-N 3.05Å; T366-Y370 WeakPolarHBondContact O-CD2 3.45Å; T366-Y370 PolarHBondContact O-N 2.94Å
367P91.1Very high91.2Very high57 Ų5768 Ų6837%0.3737%0.369SS..Hα-helixtrans-54.1-38.7174.5-26.836.5000113.1L75 Y370 A371L75-P367 HydrophobicContact CB-CG 4.12Å; L75-P367 VanDerWaalsContact O-CG 3.29Å; L75-P367 WeakPolarHBondContact O-CG 3.47Å; P367-Y370 PolarHBondContact O-N 3.03Å; P367-A371 WeakPolarHBondContact O-CB 3.29Å; P367-A371 PolarHBondContact O-N 2.68Å
368E91.6Very high89.7Confident130 Ų13061.7 Ų61.761%0.60735%0.347SS*.Hα-helixtrans-65.9-44.4-178.6-56.271.7-152.900111T366 Y370 A371T366-E368 WeakPolarHBondContact CB-OE2 3.33Å; T366-E368 PolarHBondContact O-N 3.32Å; T366-E368 PolarHBondContact OG1-N 2.74Å; T366-E368 PolarHBondContact OG1-OE2 2.61Å; E368-Y370 VanDerWaalsContact C-N 3.33Å; E368-A371 PolarHBondContact O-N 2.78Å
369V92.3Very high88.1Confident23 Ų2362.1 Ų62.114%0.13936%0.356CS..Hα-helixtrans-65.3-41.8175.8-176.10000110A28 A29 I32 T366 A371 T372A28-V369 HydrophobicContact CB-CG1 3.82Å; A28-V369 HydrophobicContact CB-CG2 3.94Å; A29-V369 HydrophobicContact CB-CG1 4.28Å; I32-V369 HydrophobicContact CD1-CB 4.44Å; I32-V369 HydrophobicContact CD1-CG1 3.64Å; T366-V369 PolarHBondContact O-N 2.94Å; T366-V369 PolarHBondContact OG1-N 3.05Å; V369-A371 VanDerWaalsContact C-N 3.31Å; V369-A371 PolarHBondContact O-N 3.5Å; V369-T372 WeakPolarHBondContact O-CB 3.45Å; V369-T372 PolarHBondContact O-N 3.37Å; V369-T372 PolarHBondContact O-OG1 3.05Å
370Y91.9Very high85.9Confident8 Ų869.1 Ų69.13%0.03139%0.385CS..Hα-helixtrans-71.9-23.3-178.3-87.4-102.5000114.5I32 G70 F71 L75 K83 M84 C365 T366 P367 E368 T372 F373I32-Y370 HydrophobicContact CD1-CE2 3.9Å; G70-Y370 VanDerWaalsContact C-OH 3.26Å; G70-Y370 VanDerWaalsContact CA-OH 3.27Å; G70-Y370 WeakPolarHBondContact CA-OH 3.5Å; G70-Y370 WeakPolarHBondContact O-CE1 3.26Å; G70-Y370 PolarHBondContact O-OH 3.18Å; F71-Y370 AromaticContact CD1-CE1 3.98Å; F71-Y370 HydrophobicContact CD1-CE1 3.98Å; F71-Y370 HydrophobicContact CE1-CE1 4.3Å; L75-Y370 HydrophobicContact CD1-CD1 3.77Å; L75-Y370 HydrophobicContact CD1-CD2 3.29Å; L75-Y370 HydrophobicContact CD1-CE1 4.3Å; L75-Y370 HydrophobicContact CD1-CE2 3.88Å; L75-Y370 HydrophobicContact CD1-CG 3.22Å; K83-Y370 WeakPolarHBondContact CE-O 3.25Å; K83-Y370 PolarHBondContact NZ-O 3.2Å; M84-Y370 HydrophobicContact CG-CD1 4.01Å; M84-Y370 HydrophobicContact CG-CE1 3.99Å; C365-Y370 HydrophobicContact CB-CD2 4.49Å; C365-Y370 HydrophobicContact CB-CE2 3.73Å; T366-Y370 WeakPolarHBondContact O-CD2 3.45Å; T366-Y370 PolarHBondContact O-N 2.94Å; P367-Y370 PolarHBondContact O-N 3.03Å; E368-Y370 VanDerWaalsContact C-N 3.33Å; Y370-T372 PolarHBondContact O-N 3.1Å; Y370-F373 AromaticContact CD1-CD2 3.91Å; Y370-F373 HydrophobicContact CD1-CD2 3.91Å; Y370-F373 HydrophobicContact CD1-CE2 4.12Å; Y370-F373 HydrophobicContact CD2-CE2 4.43Å; Y370-F373 HydrophobicContact CE1-CD2 4.29Å; Y370-F373 HydrophobicContact CE1-CE2 4.12Å; Y370-F373 HydrophobicContact CE2-CE2 4.43Å; Y370-F373 HydrophobicContact CG-CD2 4.15Å; Y370-F373 HydrophobicContact CG-CE2 4.29Å; Y370-F373 PolarHBondContact O-N 3.5Å
371A90.7Very high83.6Confident71 Ų7171.1 Ų71.159%0.58739%0.39SS*.Hα-helixtrans-61.6-28.6168.100000111.8P367 E368 V369 F373P367-A371 WeakPolarHBondContact O-CB 3.29Å; P367-A371 PolarHBondContact O-N 2.68Å; E368-A371 PolarHBondContact O-N 2.78Å; V369-A371 VanDerWaalsContact C-N 3.31Å; V369-A371 PolarHBondContact O-N 3.5Å; A371-F373 VanDerWaalsContact C-N 3.32Å; A371-F373 PolarHBondContact O-N 2.76Å
372T92.6Very high81.1Confident47 Ų4773.1 Ų73.129%0.28840%0.401SS..THydrogen-bonded Turntrans-80.2-6.4179.474.20000114.8G25 S26 V369 Y370 D374G25-T372 PolarHBondContact N-O 3.35Å; G25-T372 VanDerWaalsContact N-O 3.1Å; S26-T372 WeakPolarHBondContact CB-OG1 3.48Å; S26-T372 PolarHBondContact OG-OG1 3.24Å; V369-T372 WeakPolarHBondContact O-CB 3.45Å; V369-T372 PolarHBondContact O-N 3.37Å; V369-T372 PolarHBondContact O-OG1 3.05Å; Y370-T372 PolarHBondContact O-N 3.1Å; T372-D374 PolarHBondContact O-N 3.06Å
373F91.2Very high78.4Confident1 Ų182.1 Ų82.10%0.00444%0.438CS..BIsolated β-bridgetrans-77.8107.4166.2-71.5-76.6000110.2V23 A24 A29 K83 M84 Y370 A371V23-F373 HydrophobicContact CG1-CB 4.35Å; V23-F373 HydrophobicContact CG1-CD1 4.22Å; V23-F373 CarbonylContact O-C 3.51Å; V23-F373 VanDerWaalsContact O-CA 3.28Å; V23-F373 WeakPolarHBondContact O-CA 3.14Å; A24-F373 HydrophobicContact CB-CD1 4.28Å; A24-F373 HydrophobicContact CB-CE1 3.97Å; A29-F373 HydrophobicContact CB-CD1 4.32Å; A29-F373 HydrophobicContact CB-CD2 4.4Å; A29-F373 HydrophobicContact CB-CE1 3.86Å; A29-F373 HydrophobicContact CB-CE2 3.91Å; A29-F373 HydrophobicContact CB-CZ 3.62Å; K83-F373 WeakPolarHBondContact CE-O 3.34Å; K83-F373 PolarHBondContact NZ-O 3.5Å; M84-F373 HydrophobicContact CE-CB 4.04Å; M84-F373 HydrophobicContact CE-CD1 3.35Å; M84-F373 HydrophobicContact CE-CD2 4.14Å; M84-F373 HydrophobicContact CE-CE1 3.73Å; M84-F373 HydrophobicContact CE-CE2 4.5Å; M84-F373 HydrophobicContact CE-CG 3.59Å; M84-F373 HydrophobicContact CE-CZ 4.3Å; M84-F373 HydrophobicContact SD-CB 3.57Å; M84-F373 VanDerWaalsContact SD-CB 3.57Å; M84-F373 HydrophobicContact SD-CD1 4.1Å; M84-F373 HydrophobicContact SD-CD2 4.33Å; M84-F373 HydrophobicContact SD-CG 3.77Å; Y370-F373 AromaticContact CD1-CD2 3.91Å; Y370-F373 HydrophobicContact CD1-CD2 3.91Å; Y370-F373 HydrophobicContact CD1-CE2 4.12Å; Y370-F373 HydrophobicContact CD2-CE2 4.43Å; Y370-F373 HydrophobicContact CE1-CD2 4.29Å; Y370-F373 HydrophobicContact CE1-CE2 4.12Å; Y370-F373 HydrophobicContact CE2-CE2 4.43Å; Y370-F373 HydrophobicContact CG-CD2 4.15Å; Y370-F373 HydrophobicContact CG-CE2 4.29Å; Y370-F373 PolarHBondContact O-N 3.5Å; A371-F373 VanDerWaalsContact C-N 3.32Å; A371-F373 PolarHBondContact O-N 2.76Å
374D89.4Confident75.8Confident48 Ų4876.3 Ų76.326%0.25742%0.422SS..  trans-104.896.4-177.5-175.4-4.1000111V23 T372 T376 K377V23-D374 WeakPolarHBondContact CA-O 3.43Å; V23-D374 PolarHBondContact O-N 3.12Å; T372-D374 PolarHBondContact O-N 3.06Å; D374-T376 PolarHBondContact O-N 3.11Å; D374-T376 WeakPolarHBondContact OD1-CB 3.48Å; D374-T376 PolarHBondContact OD1-N 2.96Å; D374-T376 PolarHBondContact OD1-OG1 3.06Å; D374-T376 PolarHBondContact OD2-OG1 2.96Å; D374-K377 HydrophobicContact CB-CD 4.07Å; D374-K377 HydrophobicContact CB-CG 4.28Å; D374-K377 PolarHBondContact O-N 2.83Å; D374-K377 WeakPolarHBondContact OD2-CD 3.32Å; D374-K377 WeakPolarHBondContact OD2-CE 3.21Å; D374-K377 WeakPolarHBondContact OD2-CG 3.47Å; D374-K377 IonicContact OD2-NZ 2.72Å
375L87.2Confident73.1Confident79 Ų7982.7 Ų82.741%0.41445%0.449SS..G310 helixtrans-64.9-18.8-179.1-60.8178.3000112.8V23 K83 M84 I87 K377 G378V23-L375 HydrophobicContact CG1-CD2 3.99Å; K83-L375 HydrophobicContact CB-CD1 4Å; K83-L375 HydrophobicContact CD-CD1 4.34Å; K83-L375 HydrophobicContact CG-CD1 4.19Å; M84-L375 HydrophobicContact SD-CD2 3.89Å; I87-L375 HydrophobicContact CD1-CD2 3.73Å; I87-L375 HydrophobicContact CG1-CD2 4.19Å; L375-K377 VanDerWaalsContact C-N 3.3Å; L375-K377 PolarHBondContact O-N 2.98Å; L375-G378 PolarHBondContact O-N 3.17Å
376T84.9Confident70.8Confident127 Ų12787.8 Ų87.878%0.77948%0.482SS*.G310 helixtrans-73.9-23.8179.574.20000112.5D374 G378D374-T376 PolarHBondContact O-N 3.11Å; D374-T376 WeakPolarHBondContact OD1-CB 3.48Å; D374-T376 PolarHBondContact OD1-N 2.96Å; D374-T376 PolarHBondContact OD1-OG1 3.06Å; D374-T376 PolarHBondContact OD2-OG1 2.96Å; T376-G378 PolarHBondContact O-N 3.2Å
377K79.3Confident68.4Low132 Ų13294.9 Ų94.957%0.57451%0.509SS*.G310 helixtrans-72-9.4176.7-72.3178.9-179.3171.40113.3G22 D374 L375G22-K377 WeakPolarHBondContact O-CD 3.47Å; D374-K377 HydrophobicContact CB-CD 4.07Å; D374-K377 HydrophobicContact CB-CG 4.28Å; D374-K377 PolarHBondContact O-N 2.83Å; D374-K377 WeakPolarHBondContact OD2-CD 3.32Å; D374-K377 WeakPolarHBondContact OD2-CE 3.21Å; D374-K377 WeakPolarHBondContact OD2-CG 3.47Å; D374-K377 IonicContact OD2-NZ 2.72Å; L375-K377 VanDerWaalsContact C-N 3.3Å; L375-K377 PolarHBondContact O-N 2.98Å
378G59.8Low66.5Low28 Ų28100.3 Ų100.329%0.28953%0.529SS..  trans64.2132.3179.200000112.3L375 T376 K380L375-G378 PolarHBondContact O-N 3.17Å; T376-G378 PolarHBondContact O-N 3.2Å; G378-K380 PolarHBondContact O-N 2.71Å
379A58.5Low64.9Low48 Ų48100 Ų10040%0.39753%0.528SS..  trans-60.4114.5148.700000104.3N381A379-N381 PolarHBondContact O-N 3.38Å
380K50.1Low63.8Low159 Ų159106.7 Ų106.769%0.69156%0.557SS**  trans-48.5120.4178-85.5-177.7176.1177.30107Y21 G378 D382Y21-K380 HydrophobicContact CD2-CB 4.31Å; G378-K380 PolarHBondContact O-N 2.71Å; K380-D382 VanDerWaalsContact C-N 3.3Å; K380-D382 PolarHBondContact O-N 3.2Å
381N44.2Very low63.4Low153 Ų153106.7 Ų106.782%0.81856%0.558SS**  trans-56.4104.3165-96.2-16.8000105.2A379 K383A379-N381 PolarHBondContact O-N 3.38Å; N381-K383 PolarHBondContact O-N 3.06Å
382D42.9Very low63Low105 Ų105111.4 Ų111.456%0.56157%0.566SS**  trans-57.2103.6159.9-84.7-40.8000105.1Y21 K380 A384Y21-D382 PolarHBondContact OH-OD2 3.25Å; K380-D382 VanDerWaalsContact C-N 3.3Å; K380-D382 PolarHBondContact O-N 3.2Å; D382-A384 CarbonylContact C-O 3.59Å; D382-A384 HydrophobicContact CB-CB 4.45Å; D382-A384 CarbonylContact O-C 3.6Å; D382-A384 PolarHBondContact O-N 2.99Å; D382-A384 VanDerWaalsContact O-N 3.16Å
383K38.2Very low62.5Low209 Ų209112.7 Ų112.791%0.90958%0.575SS**SBendtrans-65.6-2.5167.7-73.6-172.1177-1780111.1N381 K385N381-K383 PolarHBondContact O-N 3.06Å; K383-K385 PolarHBondContact O-N 3.38Å
384A39.6Very low62.2Low66 Ų66114.6 Ų114.655%0.54559%0.587SS.*SBendtrans-71115.1155.700000107D382D382-A384 CarbonylContact C-O 3.59Å; D382-A384 HydrophobicContact CB-CB 4.45Å; D382-A384 CarbonylContact O-C 3.6Å; D382-A384 PolarHBondContact O-N 2.99Å; D382-A384 VanDerWaalsContact O-N 3.16Å
385K35.5Very low61.8Low196 Ų196121 Ų12185%0.85261%0.612SS**  trans-38.1122.5158.1-83-179.2174.2-178.80106.2K383 K387K383-K385 PolarHBondContact O-N 3.38Å; K385-K387 PolarHBondContact O-N 2.66Å
386P43.8Very low61.3Low113 Ų113120.2 Ų120.273%0.73461%0.606SS**  trans-49.4120.1169.7-17.826.9000104.2E388P386-E388 VanDerWaalsContact C-N 3.34Å; P386-E388 PolarHBondContact O-N 2.89Å
387K41.9Very low60.7Low193 Ų193116.7 Ų116.784%0.83959%0.585SS**  trans-50.4117.9162.5-93.2-178.8173.6178.20102.8K385 E389K385-K387 PolarHBondContact O-N 2.66Å; K387-E389 PolarHBondContact O-N 3.44Å
388E51.1Low59.6Low170 Ų170115.9 Ų115.979%0.79459%0.588SS**  trans-61.690.8173.7-81-173.313900105.2P386 E390P386-E388 VanDerWaalsContact C-N 3.34Å; P386-E388 PolarHBondContact O-N 2.89Å; E388-E390 PolarHBondContact O-N 2.76Å
389E57.8Low59.3Low123 Ų123119.2 Ų119.258%0.57560%0.598SS**  trans-63.4109.3170-78.7-169.5165.700104.9K387 V391K387-E389 PolarHBondContact O-N 3.44Å; E389-V391 PolarHBondContact O-N 2.9Å
390E70.3Confident58.4Low164 Ų164125.7 Ų125.777%0.76662%0.617SS**  trans-56.6123.2176.2-168.3179-178.800107.8E388 K392E388-E390 PolarHBondContact O-N 2.76Å; E390-K392 PolarHBondContact O-N 3.2Å
391V83Confident58Low9 Ų9121.1 Ų121.16%0.05560%0.604CS.*  trans-69.4100.6178.5-179.80000107.3A12 A14 K91 T93 P101 E389A12-V391 HydrophobicContact CB-CG1 3.58Å; A14-V391 HydrophobicContact CB-CG2 4.18Å; K91-V391 HydrophobicContact CD-CG2 3.5Å; K91-V391 VanDerWaalsContact CD-CG2 3.5Å; K91-V391 HydrophobicContact CG-CG2 3.88Å; T93-V391 HydrophobicContact CG2-CB 4.3Å; T93-V391 HydrophobicContact CG2-CG1 3.8Å; P101-V391 HydrophobicContact CB-CG2 4.16Å; P101-V391 HydrophobicContact CG-CG2 4.32Å; E389-V391 PolarHBondContact O-N 2.9Å
392K82.7Confident57.9Low169 Ų169118.8 Ų118.874%0.73559%0.588SS**PPolyproline II helixtrans-69.1136.4-179-64.8-175.3-177.4177.30109.7A12 E390A12-K392 WeakPolarHBondContact CB-O 3.45Å; E390-K392 PolarHBondContact O-N 3.2Å
393P81.9Confident57.8Low74 Ų74123.8 Ų123.848%0.48161%0.605SS.*PPolyproline II helixtrans-55.4145.8173.8-25.936.4000111.3N99 K395N99-P393 VanDerWaalsContact OD1-CG 3.24Å; N99-P393 WeakPolarHBondContact OD1-CG 3.28Å; P393-K395 PolarHBondContact O-N 3.24Å
394V83.8Confident58Low42 Ų42119.6 Ų119.626%0.25559%0.592SS.*PPolyproline II helixtrans-64.6121174-179.40000108.4L10 K11 A12 T48 E396L10-V394 HydrophobicContact CB-CB 4.12Å; L10-V394 HydrophobicContact CB-CG1 4.24Å; L10-V394 HydrophobicContact CB-CG2 4.13Å; L10-V394 HydrophobicContact CD1-CG1 3.92Å; K11-V394 VanDerWaalsContact O-CG2 3.28Å; K11-V394 WeakPolarHBondContact O-CG2 3.3Å; A12-V394 HydrophobicContact CB-CG2 3.9Å; T48-V394 HydrophobicContact CG2-CG1 3.22Å; V394-E396 HydrophobicContact CG1-CG 4.42Å; V394-E396 PolarHBondContact O-N 3.03Å
395K80.5Confident58.1Low182 Ų182117.9 Ų117.979%0.79158%0.575SS**  trans-76.691.8172.4-170.5179.1-179-178.80108.7T48 P393T48-K395 WeakPolarHBondContact CG2-O 3.33Å; P393-K395 PolarHBondContact O-N 3.24Å
396E78.2Confident58.3Low63 Ų63109.5 Ų109.529%0.29454%0.544SS..  trans-65.6142.5176-62.2-169.7-164.100110.4P9 L10 K124 V394 D398P9-E396 WeakPolarHBondContact CA-OE1 3.25Å; L10-E396 HydrophobicContact CD1-CG 4.18Å; L10-E396 PolarHBondContact N-OE1 3.06Å; K124-E396 WeakPolarHBondContact CE-OE1 3.19Å; K124-E396 IonicContact NZ-OE1 3.88Å; K124-E396 PolarHBondContact NZ-OE1 3.21Å; K124-E396 IonicContact NZ-OE2 2.75Å; K124-E396 PolarHBondContact NZ-OE2 2.79Å; V394-E396 HydrophobicContact CG1-CG 4.42Å; V394-E396 PolarHBondContact O-N 3.03Å; E396-D398 PolarHBondContact O-N 3.32Å
397P70.9Confident58Low52 Ų52105.6 Ų105.634%0.33852%0.519SS..  trans-60.3133.5177.723.7-32.4000110.2L399P397-L399 PolarHBondContact O-N 2.85Å
398D56.2Low57.3Low116 Ų116100.4 Ų100.462%0.6250%0.503SS*.  trans-60.5102.2173.4-71.6-42.6000108.7E396 K400 L409E396-D398 PolarHBondContact O-N 3.32Å; D398-K400 PolarHBondContact O-N 3.01Å; D398-L409 HydrophobicContact CB-CD1 4.06Å
399L54.1Low56.3Low97 Ų9796.1 Ų96.151%0.50849%0.486SS..  trans-6990.3166.2-64175.4000105.9R128 P397 P401R128-L399 HydrophobicContact CG-CD2 3.81Å; P397-L399 PolarHBondContact O-N 2.85Å; L399-P401 WeakPolarHBondContact O-CD 3.15Å; L399-P401 VanDerWaalsContact O-N 3.09Å
400K39.6Very low55Low185 Ų18599 Ų9980%0.80452%0.519SS*.PPolyproline II helixtrans-48123.2173-74.4-174.1-179.1179.60107.1D398 Q402D398-K400 PolarHBondContact O-N 3.01Å; K400-Q402 PolarHBondContact O-N 2.9Å
401P41.4Very low54.2Low63 Ų6395.8 Ų95.841%0.40951%0.507SS..PPolyproline II helixtrans-58119172.118.4-26.3000107.3L399 T405 C407L399-P401 WeakPolarHBondContact O-CD 3.15Å; L399-P401 VanDerWaalsContact O-N 3.09Å; P401-T405 WeakPolarHBondContact CA-OG1 3.46Å; P401-C407 WeakPolarHBondContact CB-O 3.43Å; P401-C407 WeakPolarHBondContact CG-O 3.34Å
402Q42.9Very low52.7Low104 Ų104100.3 Ų100.349%0.48653%0.531SS..PPolyproline II helixtrans-56.8145.2153.2-79.7178.9-34.400105.3K400 D404 T405K400-Q402 PolarHBondContact O-N 2.9Å; Q402-D404 PolarHBondContact O-N 2.99Å; Q402-T405 HydrophobicContact CB-CG2 3.86Å; Q402-T405 PolarHBondContact N-OG1 3.45Å; Q402-T405 VanDerWaalsContact N-OG1 3.11Å; Q402-T405 PolarHBondContact O-N 3.49Å; Q402-T405 PolarHBondContact O-OG1 2.6Å; Q402-T405 VanDerWaalsContact O-OG1 3.1Å
403K40Very low51Low209 Ų20996.5 Ų96.591%0.90952%0.52SS*.THydrogen-bonded Turntrans-48.5-21.4-164.5-82.5178.2172179.30114.2
404D42.5Very low49.2Very low121 Ų12197.8 Ų97.865%0.64752%0.522SS*.THydrogen-bonded Turntrans-118.610.9178.8-59.6-43000116.3Q402 G406Q402-D404 PolarHBondContact O-N 2.99Å; D404-G406 VanDerWaalsContact C-N 3.27Å; D404-G406 PolarHBondContact O-N 3.36Å
405T42.5Very low47Very low31 Ų31101.3 Ų101.319%0.1954%0.539CS..SBendtrans-78.3-4.5176.955.10000114.2Q306 P401 Q402 C407Q306-T405 PolarHBondContact NE2-O 2.91Å; P401-T405 WeakPolarHBondContact CA-OG1 3.46Å; Q402-T405 HydrophobicContact CB-CG2 3.86Å; Q402-T405 PolarHBondContact N-OG1 3.45Å; Q402-T405 VanDerWaalsContact N-OG1 3.11Å; Q402-T405 PolarHBondContact O-N 3.49Å; Q402-T405 PolarHBondContact O-OG1 2.6Å; Q402-T405 VanDerWaalsContact O-OG1 3.1Å; T405-C407 PolarHBondContact O-N 2.83Å
406G39.9Very low44.8Very low19 Ų1995.9 Ų95.920%0.19652%0.522CS..  trans60.71.3168.600000117.2K302 D404 V408K302-G406 PolarHBondContact N-O 3.23Å; D404-G406 VanDerWaalsContact C-N 3.27Å; D404-G406 PolarHBondContact O-N 3.36Å; G406-V408 PolarHBondContact O-N 2.94Å
407C36.1Very low42.4Very low32 Ų3298.3 Ų98.322%0.21654%0.538CS..BIsolated β-bridgetrans-77.898.1166.5-85.80000108.3P401 T405 L409P401-C407 WeakPolarHBondContact CB-O 3.43Å; P401-C407 WeakPolarHBondContact CG-O 3.34Å; T405-C407 PolarHBondContact O-N 2.83Å; C407-L409 PolarHBondContact O-N 3.16Å
408V27.6Very low40.2Very low83 Ų83101.8 Ų101.850%0.50355%0.553SS.*  trans-82.2111.1167.8-175.70000106.5G406 S410G406-V408 PolarHBondContact O-N 2.94Å; V408-S410 PolarHBondContact O-N 3.41Å
409L31.1Very low38.9Very low80 Ų80100.7 Ų100.742%0.41955%0.548SS..  trans-64.7128166.2-66.1164.7000107.3D398 C407D398-L409 HydrophobicContact CB-CD1 4.06Å; C407-L409 PolarHBondContact O-N 3.16Å
410S29Very low37.5Very low184 Ų184101 Ų101100%1.28755%0.551SS**  trans-122.60164.2-56.80000107.9V408V408-S410 PolarHBondContact O-N 3.41Å

Retrieved 410 of 410 residues in 90 ms (Link to these results)

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