A0A077ZHN7_TRITR Loading...

Neprilysin 2

AlphaFold DB , UniProt , Accession A0A077ZHN7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 697 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
1M64.5Low77.9Confident84 Ų8475.5 Ų75.541%0.41438%0.382SS..  0138.80-78.9-176.7-9400109.5V3 I518 L621 L624 V632 M635M1-V3 HydrophobicContact CB-CG2 4.12Å; M1-I518 HydrophobicContact CE-CD1 4.11Å; M1-L621 HydrophobicContact CE-CD1 3.42Å; M1-L621 VanDerWaalsContact CE-CD1 3.42Å; M1-L624 HydrophobicContact CE-CD1 3.47Å; M1-L624 VanDerWaalsContact CE-CD1 3.47Å; M1-L624 HydrophobicContact SD-CD1 4.25Å; M1-V632 HydrophobicContact CE-CG1 3.89Å; M1-V632 HydrophobicContact CE-CG2 4.29Å; M1-M635 HydrophobicContact SD-CB 3.43Å; M1-M635 WeakPolarHBondContact SD-CB 3.2Å; M1-M635 HydrophobicContact SD-CE 4.36Å; M1-M635 HydrophobicContact SD-CG 4.29Å; M1-M635 HydrophobicContact SD-SD 3.96Å
2F77.7Confident78.4Confident62 Ų6271 Ų7127%0.27236%0.361SS..  trans-105.836.4-170.7-57.7-86.8000112.6A16 G18 A19 W20 L23F2-A16 CarbonylContact C-O 3.07Å; F2-A16 PolarHBondContact N-O 2.81Å; F2-G18 PolarHBondContact O-N 3.3Å; F2-A19 HydrophobicContact CB-CB 4.36Å; F2-A19 WeakPolarHBondContact O-CB 3.24Å; F2-A19 PolarHBondContact O-N 3.16Å; F2-W20 HydrophobicContact CB-CB 4.01Å; F2-W20 HydrophobicContact CD1-CB 4.41Å; F2-W20 HydrophobicContact CD2-CB 4.46Å; F2-W20 AromaticContact CD2-CD1 3.41Å; F2-W20 VanDerWaalsContact CD2-CD1 3.41Å; F2-W20 HydrophobicContact CD2-CG 4.32Å; F2-W20 AromaticContact CE2-CD1 3.39Å; F2-W20 AromaticContact CE2-NE1 3.89Å; F2-W20 HydrophobicContact CG-CB 4.05Å; F2-W20 AromaticContact CG-CD1 3.72Å; F2-W20 HydrophobicContact CG-CG 4.28Å; F2-W20 AromaticContact CZ-CD1 3.71Å; F2-L23 HydrophobicContact CD1-CD1 4Å; F2-L23 HydrophobicContact CE1-CD1 4.37Å
3V74.8Confident79Confident30 Ų3065.7 Ų65.718%0.18233%0.334CS..  trans-66133.7-165.9169.90000111.5M1 L5 F15 M635M1-V3 HydrophobicContact CB-CG2 4.12Å; V3-L5 HydrophobicContact CG1-CD2 3.74Å; V3-L5 HydrophobicContact CG1-CG 4.26Å; V3-F15 WeakPolarHBondContact CA-O 3.19Å; V3-F15 HydrophobicContact CB-CZ 4.32Å; V3-F15 HydrophobicContact CG1-CD2 3.99Å; V3-F15 HydrophobicContact CG1-CE1 3.86Å; V3-F15 HydrophobicContact CG1-CE2 3.26Å; V3-F15 HydrophobicContact CG1-CZ 3.16Å; V3-F15 HydrophobicContact CG2-CE1 4.13Å; V3-F15 HydrophobicContact CG2-CZ 4.21Å; V3-M635 HydrophobicContact CG2-SD 3.81Å
4K77.8Confident79.1Confident96 Ų9670.3 Ų70.342%0.41735%0.345SS..  trans-106.498.4169.9-149.7-160.5175.81730109.4N6 L7 F15K4-N6 WeakPolarHBondContact CD-OD1 3.24Å; K4-N6 VanDerWaalsContact CE-OD1 3.24Å; K4-N6 WeakPolarHBondContact CE-OD1 3.38Å; K4-N6 WeakPolarHBondContact CG-OD1 3.28Å; K4-N6 PolarHBondContact O-N 3.18Å; K4-L7 HydrophobicContact CB-CD1 4.23Å; K4-L7 HydrophobicContact CB-CG 4.48Å; K4-L7 HydrophobicContact CD-CD1 4.29Å; K4-L7 HydrophobicContact CD-CG 4.36Å; K4-L7 PolarHBondContact O-N 2.89Å; K4-F15 PolarHBondContact N-O 3.35Å; K4-F15 WeakPolarHBondContact O-CD2 3.18Å
5L72.4Confident79.3Confident114 Ų11465.9 Ų65.960%0.59732%0.323SS*.THydrogen-bonded Turntrans-59.9-16.4-170.1-65.1173.6000115.2V3 F15 Y627V3-L5 HydrophobicContact CG1-CD2 3.74Å; V3-L5 HydrophobicContact CG1-CG 4.26Å; L5-F15 HydrophobicContact CD2-CE2 4.49Å; L5-Y627 HydrophobicContact CD2-CE2 3.97Å; L5-Y627 WeakPolarHBondContact CD2-OH 3.48Å
6N70.3Confident79.7Confident119 Ų11961.9 Ų61.964%0.63630%0.304SS*.THydrogen-bonded Turntrans-85.6-3.5176.554.9-4.4000114.5K4K4-N6 WeakPolarHBondContact CD-OD1 3.24Å; K4-N6 VanDerWaalsContact CE-OD1 3.24Å; K4-N6 WeakPolarHBondContact CE-OD1 3.38Å; K4-N6 WeakPolarHBondContact CG-OD1 3.28Å; K4-N6 PolarHBondContact O-N 3.18Å
7L74.3Confident80.3Confident56 Ų5659.6 Ų59.629%0.29330%0.296SS..SBendtrans-90.5135.1170.4-66.9175.2000110.5K4 F15K4-L7 HydrophobicContact CB-CD1 4.23Å; K4-L7 HydrophobicContact CB-CG 4.48Å; K4-L7 HydrophobicContact CD-CD1 4.29Å; K4-L7 HydrophobicContact CD-CG 4.36Å; K4-L7 PolarHBondContact O-N 2.89Å; L7-F15 HydrophobicContact CB-CB 4.1Å; L7-F15 HydrophobicContact CB-CD2 4.34Å; L7-F15 VanDerWaalsContact O-CD2 3.29Å; L7-F15 WeakPolarHBondContact O-CD2 3.2Å
8K81.9Confident80.4Confident161 Ų16158.2 Ų58.270%0.730%0.299SS*.  trans-82.5119.4175.6-65.6-175.5179.5-177.60110.1C10 T11 T12K8-C10 PolarHBondContact O-N 2.86Å; K8-T11 PolarHBondContact O-N 3.1Å; K8-T12 PolarHBondContact O-N 3.2Å
9S85.1Confident80.7Confident22 Ų2256.9 Ų56.915%0.15430%0.298CS..THydrogen-bonded Turntrans-51.7-39.5-178.553.30000113.4T11 T12 F680 M688S9-T11 VanDerWaalsContact C-N 3.32Å; S9-T11 PolarHBondContact O-N 3.41Å; S9-T12 CarbonylContact O-C 3.59Å; S9-F680 WeakPolarHBondContact OG-CD1 3.49Å; S9-M688 WeakPolarHBondContact O-CG 3.47Å
10C91.4Very high81.2Confident12 Ų1254.2 Ų54.28%0.08128%0.283CS..THydrogen-bonded Turntrans-77.8-11.6-179.3-54.90000114.7K8 C682 Q686 M688K8-C10 PolarHBondContact O-N 2.86Å; C10-C682 VanDerWaalsContact CA-SG 3.51Å; C10-C682 HydrophobicContact CB-CB 3.75Å; C10-C682 WeakPolarHBondContact CB-SG 3.45Å; C10-C682 WeakPolarHBondContact SG-CA 3.46Å; C10-C682 WeakPolarHBondContact SG-CB 3.37Å; C10-C682 CovalentContact SG-SG 2.04Å; C10-C682 PolarHBondContact SG-SG 3.37Å; C10-Q686 HydrophobicContact CB-CB 4.43Å; C10-M688 PolarHBondContact O-N 3.38Å
11T87Confident81.5Confident74 Ų7455.4 Ų55.445%0.45429%0.29SS..THydrogen-bonded Turntrans-92-44.7174.7-55.50000111K8 S9 R687K8-T11 PolarHBondContact O-N 3.1Å; S9-T11 VanDerWaalsContact C-N 3.32Å; S9-T11 PolarHBondContact O-N 3.41Å; T11-R687 WeakPolarHBondContact O-CD 3.29Å
12T84.1Confident82.6Confident22 Ų2260.5 Ų60.514%0.13531%0.31CS..  trans-155.3131.2173.2179.10000109.4K8 S9 R14 F15K8-T12 PolarHBondContact O-N 3.2Å; S9-T12 CarbonylContact O-C 3.59Å; T12-R14 HydrophobicContact CG2-CB 4.27Å; T12-R14 PolarHBondContact O-N 3.31Å; T12-R14 WeakPolarHBondContact OG1-CB 3.41Å; T12-R14 WeakPolarHBondContact OG1-CG 3.48Å; T12-R14 PolarHBondContact OG1-N 3.32Å; T12-F15 PolarHBondContact O-N 2.68Å
13F85.7Confident83.2Confident2 Ų262.9 Ų62.91%0.00933%0.325CS..G310 helixtrans-82.56.9174.9-146.3-110000113.7F15 A16 F634 M635 A638 V666 L670 F676 F680 M688F13-F15 HydrophobicContact CE2-CD1 4.09Å; F13-F15 HydrophobicContact CZ-CD1 4.47Å; F13-F15 PolarHBondContact O-N 3.11Å; F13-A16 HydrophobicContact CD1-CB 4.3Å; F13-A16 HydrophobicContact CE1-CB 4.04Å; F13-A16 PolarHBondContact O-N 2.85Å; F13-A16 VanDerWaalsContact O-N 3.08Å; F13-F634 WeakPolarHBondContact CE1-O 3.18Å; F13-F634 HydrophobicContact CZ-CB 4.21Å; F13-M635 HydrophobicContact CZ-CG 4.17Å; F13-A638 HydrophobicContact CD1-CB 3.5Å; F13-A638 HydrophobicContact CE1-CB 3.46Å; F13-A638 VanDerWaalsContact CE1-CB 3.46Å; F13-V666 HydrophobicContact CB-CG1 4.19Å; F13-V666 HydrophobicContact CD1-CG1 3.92Å; F13-L670 HydrophobicContact CB-CD1 4.05Å; F13-L670 HydrophobicContact CD1-CD1 3.29Å; F13-L670 HydrophobicContact CD2-CD1 4.44Å; F13-L670 HydrophobicContact CE1-CD1 3.76Å; F13-L670 HydrophobicContact CG-CD1 3.67Å; F13-F676 AromaticContact CD2-CE2 3.55Å; F13-F676 HydrophobicContact CD2-CE2 3.55Å; F13-F676 AromaticContact CD2-CZ 3.68Å; F13-F676 HydrophobicContact CD2-CZ 3.68Å; F13-F676 AromaticContact CE2-CE2 3.47Å; F13-F676 HydrophobicContact CE2-CE2 3.47Å; F13-F676 VanDerWaalsContact CE2-CE2 3.47Å; F13-F676 HydrophobicContact CE2-CZ 4.02Å; F13-F676 HydrophobicContact CG-CE2 4.17Å; F13-F676 HydrophobicContact CG-CZ 4.32Å; F13-F676 AromaticContact CZ-CE2 3.98Å; F13-F676 HydrophobicContact CZ-CE2 3.98Å; F13-F680 HydrophobicContact CE2-CD2 4.38Å; F13-F680 HydrophobicContact CE2-CE1 4.01Å; F13-F680 AromaticContact CE2-CE2 3.81Å; F13-F680 HydrophobicContact CE2-CE2 3.81Å; F13-F680 AromaticContact CE2-CZ 3.59Å; F13-F680 HydrophobicContact CE2-CZ 3.59Å; F13-F680 AromaticContact CZ-CE2 3.93Å; F13-F680 HydrophobicContact CZ-CE2 3.93Å; F13-F680 AromaticContact CZ-CZ 3.73Å; F13-F680 HydrophobicContact CZ-CZ 3.73Å; F13-M688 HydrophobicContact CB-CE 3.74Å; F13-M688 HydrophobicContact CB-SD 4.22Å
14R79.9Confident84.1Confident130 Ų13062.8 Ų62.849%0.49132%0.324SS..G310 helixtrans-53.9-16.9159.4-69.7-177.3-178.6172.10.6112.1T12 A16 C17 G18 E663T12-R14 HydrophobicContact CG2-CB 4.27Å; T12-R14 PolarHBondContact O-N 3.31Å; T12-R14 WeakPolarHBondContact OG1-CB 3.41Å; T12-R14 WeakPolarHBondContact OG1-CG 3.48Å; T12-R14 PolarHBondContact OG1-N 3.32Å; R14-A16 PolarHBondContact O-N 2.82Å; R14-C17 CarbonylContact O-C 3.6Å; R14-C17 PolarHBondContact O-N 2.68Å; R14-G18 PolarHBondContact O-N 3.34Å; R14-E663 IonicContact CZ-OE2 2.76Å; R14-E663 IonicContact NE-OE2 3.89Å; R14-E663 PolarHBondContact NE-OE2 2.91Å; R14-E663 IonicContact NH2-OE2 3.29Å; R14-E663 PolarHBondContact NH2-OE2 2.7Å
15F82.4Confident84.8Confident4 Ų462.4 Ų62.42%0.01833%0.331CS..G310 helixtrans-36.7-47163165.5-99.4000113.8V3 K4 L5 L7 T12 F13 C17 Y627 M635V3-F15 WeakPolarHBondContact CA-O 3.19Å; V3-F15 HydrophobicContact CB-CZ 4.32Å; V3-F15 HydrophobicContact CG1-CD2 3.99Å; V3-F15 HydrophobicContact CG1-CE1 3.86Å; V3-F15 HydrophobicContact CG1-CE2 3.26Å; V3-F15 HydrophobicContact CG1-CZ 3.16Å; V3-F15 HydrophobicContact CG2-CE1 4.13Å; V3-F15 HydrophobicContact CG2-CZ 4.21Å; K4-F15 PolarHBondContact N-O 3.35Å; K4-F15 WeakPolarHBondContact O-CD2 3.18Å; L5-F15 HydrophobicContact CD2-CE2 4.49Å; L7-F15 HydrophobicContact CB-CB 4.1Å; L7-F15 HydrophobicContact CB-CD2 4.34Å; L7-F15 VanDerWaalsContact O-CD2 3.29Å; L7-F15 WeakPolarHBondContact O-CD2 3.2Å; T12-F15 PolarHBondContact O-N 2.68Å; F13-F15 HydrophobicContact CE2-CD1 4.09Å; F13-F15 HydrophobicContact CZ-CD1 4.47Å; F13-F15 PolarHBondContact O-N 3.11Å; F15-C17 VanDerWaalsContact C-N 3.32Å; F15-C17 PolarHBondContact O-N 3.34Å; F15-Y627 HydrophobicContact CZ-CE1 4Å; F15-Y627 HydrophobicContact CZ-CE2 4.39Å; F15-Y627 AromaticContact CZ-CZ 3.62Å; F15-Y627 WeakPolarHBondContact CZ-OH 3.28Å; F15-M635 HydrophobicContact CE1-CG 4.06Å; F15-M635 HydrophobicContact CE1-SD 3.68Å; F15-M635 HydrophobicContact CZ-SD 4.21Å
16A86.4Confident85.8Confident2 Ų258.9 Ų58.92%0.01731%0.312CS..G310 helixtrans-71.8-23.1-176.900000114.2F2 F13 R14 A638F2-A16 CarbonylContact C-O 3.07Å; F2-A16 PolarHBondContact N-O 2.81Å; F13-A16 HydrophobicContact CD1-CB 4.3Å; F13-A16 HydrophobicContact CE1-CB 4.04Å; F13-A16 PolarHBondContact O-N 2.85Å; F13-A16 VanDerWaalsContact O-N 3.08Å; R14-A16 PolarHBondContact O-N 2.82Å; A16-A638 HydrophobicContact CB-CB 3.55Å
17C89Confident86.8Confident24 Ų2455.5 Ų55.516%0.16230%0.297CS..G310 helixtrans-111.35.8-177.4-60.50000113.6R14 F15 A19 W20 A638 C642R14-C17 CarbonylContact O-C 3.6Å; R14-C17 PolarHBondContact O-N 2.68Å; F15-C17 VanDerWaalsContact C-N 3.32Å; F15-C17 PolarHBondContact O-N 3.34Å; C17-A19 PolarHBondContact O-N 2.99Å; C17-A19 VanDerWaalsContact O-N 3.08Å; C17-W20 HydrophobicContact CB-CB 4.32Å; C17-W20 WeakPolarHBondContact O-CB 3.34Å; C17-W20 PolarHBondContact O-N 3.35Å; C17-A638 PolarHBondContact SG-O 2.95Å; C17-C642 WeakPolarHBondContact CA-SG 3.17Å; C17-C642 HydrophobicContact CB-CB 3.75Å; C17-C642 WeakPolarHBondContact CB-SG 3.22Å; C17-C642 WeakPolarHBondContact SG-CA 3.28Å; C17-C642 WeakPolarHBondContact SG-CB 3.19Å; C17-C642 CovalentContact SG-SG 2.03Å; C17-C642 PolarHBondContact SG-SG 2.98Å
18G81.6Confident87.3Confident34 Ų3460.3 Ų60.335%0.35132%0.318SS..THydrogen-bonded Turntrans-65.6-20.4-163.400000115.5F2 R14F2-G18 PolarHBondContact O-N 3.3Å; R14-G18 PolarHBondContact O-N 3.34Å
19A86.5Confident87.5Confident33 Ų3357.4 Ų57.427%0.27331%0.305SS..THydrogen-bonded Turntrans-97.7-11.4171.200000113.7F2 C17 N21 K22 L23F2-A19 HydrophobicContact CB-CB 4.36Å; F2-A19 WeakPolarHBondContact O-CB 3.24Å; F2-A19 PolarHBondContact O-N 3.16Å; C17-A19 PolarHBondContact O-N 2.99Å; C17-A19 VanDerWaalsContact O-N 3.08Å; A19-N21 PolarHBondContact O-N 3.07Å; A19-K22 PolarHBondContact O-N 3.25Å; A19-L23 HydrophobicContact CB-CD1 4.17Å; A19-L23 WeakPolarHBondContact O-CG 3.46Å; A19-L23 PolarHBondContact O-N 3.03Å
20W90.9Very high87.7Confident2 Ų258.2 Ų58.21%0.00831%0.309CS..Hα-helixtrans-62.2-49.6-168-168.4100.7000112.2F2 C17 K22 L23 N24 Q33 D34 L38 C642 H644F2-W20 HydrophobicContact CB-CB 4.01Å; F2-W20 HydrophobicContact CD1-CB 4.41Å; F2-W20 HydrophobicContact CD2-CB 4.46Å; F2-W20 AromaticContact CD2-CD1 3.41Å; F2-W20 VanDerWaalsContact CD2-CD1 3.41Å; F2-W20 HydrophobicContact CD2-CG 4.32Å; F2-W20 AromaticContact CE2-CD1 3.39Å; F2-W20 AromaticContact CE2-NE1 3.89Å; F2-W20 HydrophobicContact CG-CB 4.05Å; F2-W20 AromaticContact CG-CD1 3.72Å; F2-W20 HydrophobicContact CG-CG 4.28Å; F2-W20 AromaticContact CZ-CD1 3.71Å; C17-W20 HydrophobicContact CB-CB 4.32Å; C17-W20 WeakPolarHBondContact O-CB 3.34Å; C17-W20 PolarHBondContact O-N 3.35Å; W20-K22 PolarHBondContact O-N 3.4Å; W20-L23 PolarHBondContact O-N 3.08Å; W20-N24 HydrophobicContact CD2-CB 4.13Å; W20-N24 HydrophobicContact CE3-CB 4.05Å; W20-N24 HydrophobicContact CH2-CB 3.6Å; W20-N24 HydrophobicContact CZ2-CB 3.77Å; W20-N24 HydrophobicContact CZ3-CB 3.78Å; W20-N24 PolarHBondContact O-N 3.43Å; W20-N24 PolarHBondContact O-ND2 3.1Å; W20-N24 VanDerWaalsContact O-ND2 3.13Å; W20-Q33 HydrophobicContact CH2-CB 3.73Å; W20-Q33 HydrophobicContact CH2-CG 3.57Å; W20-Q33 WeakPolarHBondContact CH2-O 3.35Å; W20-Q33 HydrophobicContact CZ2-CG 4.34Å; W20-Q33 HydrophobicContact CZ3-CB 4.19Å; W20-Q33 HydrophobicContact CZ3-CG 4.36Å; W20-Q33 VanDerWaalsContact CZ3-O 3.27Å; W20-Q33 WeakPolarHBondContact CZ3-O 3.35Å; W20-D34 VanDerWaalsContact CH2-CA 3.44Å; W20-L38 HydrophobicContact CZ2-CD1 3.7Å; W20-C642 HydrophobicContact CB-CB 3.92Å; W20-C642 HydrophobicContact CD2-CB 3.79Å; W20-C642 HydrophobicContact CG-CB 3.39Å; W20-H644 AromaticContact CE3-ND1 3.76Å; W20-H644 AromaticContact CZ3-CE1 3.72Å; W20-H644 AromaticContact CZ3-ND1 3.37Å; W20-H644 WeakPolarHBondContact CZ3-ND1 3.27Å
21N86.8Confident87.7Confident80 Ų8058.8 Ų58.843%0.42831%0.311SS..Hα-helixtrans-62-33.2-175.9-64.28.9000112.5A19 H644A19-N21 PolarHBondContact O-N 3.07Å; N21-H644 WeakPolarHBondContact CB-ND1 3.44Å; N21-H644 PolarHBondContact O-CE1 3.28Å; N21-H644 PolarHBondContact OD1-ND1 2.85Å; N21-H644 VanDerWaalsContact OD1-ND1 3.17Å
22K88.3Confident88.1Confident191 Ų19158.7 Ų58.783%0.8330%0.303SS*.Hα-helixtrans-72-34.9177.1-178179.6175.8-175.90111.9A19 W20A19-K22 PolarHBondContact O-N 3.25Å; W20-K22 PolarHBondContact O-N 3.4Å
23L91.1Very high88.6Confident112 Ų11258 Ų5859%0.58630%0.298SS*.Hα-helixtrans-86.1-20-176.4-66.6172.4000113F2 A19 W20F2-L23 HydrophobicContact CD1-CD1 4Å; F2-L23 HydrophobicContact CE1-CD1 4.37Å; A19-L23 HydrophobicContact CB-CD1 4.17Å; A19-L23 WeakPolarHBondContact O-CG 3.46Å; A19-L23 PolarHBondContact O-N 3.03Å; W20-L23 PolarHBondContact O-N 3.08Å
24N92.7Very high89Confident29 Ų2959.1 Ų59.116%0.15530%0.304CS..SBendtrans-131.268.7-176.5-56.9-83.5000110.1W20 Q33 H644W20-N24 HydrophobicContact CD2-CB 4.13Å; W20-N24 HydrophobicContact CE3-CB 4.05Å; W20-N24 HydrophobicContact CH2-CB 3.6Å; W20-N24 HydrophobicContact CZ2-CB 3.77Å; W20-N24 HydrophobicContact CZ3-CB 3.78Å; W20-N24 PolarHBondContact O-N 3.43Å; W20-N24 PolarHBondContact O-ND2 3.1Å; W20-N24 VanDerWaalsContact O-ND2 3.13Å; N24-Q33 HydrophobicContact CB-CG 4.06Å; N24-H644 PolarHBondContact O-CE1 3.03Å
25P93.8Very high89.6Confident88 Ų8853.1 Ų53.157%0.57128%0.282SS*.PPolyproline II helixtrans-61151177.828.8-35.8000111P27P25-P27 WeakPolarHBondContact O-CD 3.4Å
26I93.4Very high90.1Very high39 Ų3954.5 Ų54.520%0.229%0.288CS..PPolyproline II helixtrans-61.4119.8173-51.1-177.8000109.3T30 H644 K646I26-T30 WeakPolarHBondContact CG2-OG1 3.38Å; I26-H644 WeakPolarHBondContact CG1-CD2 3.46Å; I26-H644 WeakPolarHBondContact CG1-NE2 3.4Å; I26-K646 HydrophobicContact CD1-CG 3.99Å
27P91.2Very high90.5Very high49 Ų4955 Ų5532%0.31829%0.291SS..PPolyproline II helixtrans-55.9148.3171.3-24.933.1000112.3P25 F29 T30P25-P27 WeakPolarHBondContact O-CD 3.4Å; P27-F29 PolarHBondContact O-N 3.41Å; P27-F29 VanDerWaalsContact O-N 3.16Å; P27-T30 HydrophobicContact CB-CG2 4.16Å; P27-T30 VanDerWaalsContact CD-OG1 3.3Å; P27-T30 WeakPolarHBondContact CD-OG1 3.5Å; P27-T30 HydrophobicContact CG-CG2 4.42Å; P27-T30 PolarHBondContact O-N 3.47Å; P27-T30 VanDerWaalsContact O-N 3.11Å; P27-T30 PolarHBondContact O-OG1 3.12Å
28E85Confident90.6Very high156 Ų15656.2 Ų56.273%0.72930%0.296SS*.THydrogen-bonded Turntrans-54.7-40.2-176.2-173178.1175.900112.9T30E28-T30 VanDerWaalsContact C-N 3.35Å; E28-T30 PolarHBondContact O-N 2.89Å
29F85.3Confident91.2Very high101 Ų10154.7 Ų54.744%0.44328%0.28SS..THydrogen-bonded Turntrans-80.5-11.6-175.5-45.3-74.4000114.7P27 T327P27-F29 PolarHBondContact O-N 3.41Å; P27-F29 VanDerWaalsContact O-N 3.16Å; F29-T327 VanDerWaalsContact CA-OG1 3.3Å; F29-T327 WeakPolarHBondContact CA-OG1 3.27Å; F29-T327 PolarHBondContact O-N 2.85Å
30T88.9Confident91.6Very high38 Ų3857.1 Ų57.123%0.23328%0.282CS..  trans-109.2169.4-175.672.40000111.2I26 P27 E28 R32 K646I26-T30 WeakPolarHBondContact CG2-OG1 3.38Å; P27-T30 HydrophobicContact CB-CG2 4.16Å; P27-T30 VanDerWaalsContact CD-OG1 3.3Å; P27-T30 WeakPolarHBondContact CD-OG1 3.5Å; P27-T30 HydrophobicContact CG-CG2 4.42Å; P27-T30 PolarHBondContact O-N 3.47Å; P27-T30 VanDerWaalsContact O-N 3.11Å; P27-T30 PolarHBondContact O-OG1 3.12Å; E28-T30 VanDerWaalsContact C-N 3.35Å; E28-T30 PolarHBondContact O-N 2.89Å; T30-R32 PolarHBondContact OG1-O 2.69Å; T30-R32 VanDerWaalsContact OG1-O 3.1Å; T30-K646 VanDerWaalsContact O-CE 3.24Å; T30-K646 WeakPolarHBondContact O-CE 3.27Å; T30-K646 PolarHBondContact O-NZ 3.15Å
31D92.3Very high91.7Very high24 Ų2459 Ų5913%0.12829%0.292CS..SBendtrans-108.1-7.1179.758.6-3.4000113.3R324 A326 C645 K646 H649D31-R324 WeakPolarHBondContact CB-O 3.45Å; D31-A326 HydrophobicContact CB-CB 3.97Å; D31-C645 CarbonylContact O-C 3.56Å; D31-C645 WeakPolarHBondContact O-CA 3.26Å; D31-C645 WeakPolarHBondContact O-CB 3.29Å; D31-K646 PolarHBondContact O-N 3.38Å; D31-H649 HydrophobicContact CB-CB 3.96Å; D31-H649 IonicContact OD1-CE1 3.91Å; D31-H649 IonicContact OD1-ND1 3.44Å; D31-H649 IonicContact OD2-CE1 2.74Å; D31-H649 IonicContact OD2-CG 3.68Å; D31-H649 IonicContact OD2-ND1 2.78Å; D31-H649 PolarHBondContact OD2-ND1 3.25Å
32R94.4Very high92.1Very high72 Ų7259.5 Ų59.527%0.27230%0.295SS..EExtended strand (participates in β ladder)trans-155.1161.2176.564.9176170.8175.1-5.2112T30 D34 T37 H644 C645T30-R32 PolarHBondContact OG1-O 2.69Å; T30-R32 VanDerWaalsContact OG1-O 3.1Å; R32-D34 WeakPolarHBondContact CD-OD2 3.46Å; R32-D34 IonicContact CZ-OD2 2.89Å; R32-D34 IonicContact NE-OD2 3.68Å; R32-D34 IonicContact NH1-OD2 3.74Å; R32-D34 PolarHBondContact NH1-OD2 3.39Å; R32-T37 HydrophobicContact CG-CG2 4.12Å; R32-H644 WeakPolarHBondContact CA-O 3.29Å; R32-C645 HydrophobicContact CB-CB 3.54Å
33Q94.7Very high92.5Very high9 Ų950.6 Ų50.64%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-131.6130.9160.8-161.466.219.900106.7W20 N24 L38 G643 H644W20-Q33 HydrophobicContact CH2-CB 3.73Å; W20-Q33 HydrophobicContact CH2-CG 3.57Å; W20-Q33 WeakPolarHBondContact CH2-O 3.35Å; W20-Q33 HydrophobicContact CZ2-CG 4.34Å; W20-Q33 HydrophobicContact CZ3-CB 4.19Å; W20-Q33 HydrophobicContact CZ3-CG 4.36Å; W20-Q33 VanDerWaalsContact CZ3-O 3.27Å; W20-Q33 WeakPolarHBondContact CZ3-O 3.35Å; N24-Q33 HydrophobicContact CB-CG 4.06Å; Q33-L38 VanDerWaalsContact NE2-CG 3.33Å; Q33-G643 CarbonylContact O-C 3.4Å; Q33-G643 WeakPolarHBondContact O-CA 3.43Å; Q33-H644 PolarHBondContact N-O 3.33Å; Q33-H644 PolarHBondContact O-N 3.04Å
34D94.2Very high92.7Very high25 Ų2546.7 Ų46.713%0.13423%0.234CC..EExtended strand (participates in β ladder)trans-149.9174.8171.860.743.4000110.5W20 R32 F36 T37 L38 C642W20-D34 VanDerWaalsContact CH2-CA 3.44Å; R32-D34 WeakPolarHBondContact CD-OD2 3.46Å; R32-D34 IonicContact CZ-OD2 2.89Å; R32-D34 IonicContact NE-OD2 3.68Å; R32-D34 IonicContact NH1-OD2 3.74Å; R32-D34 PolarHBondContact NH1-OD2 3.39Å; D34-F36 VanDerWaalsContact C-N 3.26Å; D34-F36 PolarHBondContact O-N 2.88Å; D34-F36 WeakPolarHBondContact OD1-CA 3.2Å; D34-F36 WeakPolarHBondContact OD1-CB 3.42Å; D34-F36 PolarHBondContact OD1-N 2.97Å; D34-T37 PolarHBondContact N-OG1 3.02Å; D34-T37 PolarHBondContact O-N 2.91Å; D34-T37 PolarHBondContact O-OG1 2.86Å; D34-T37 WeakPolarHBondContact OD1-CG2 3.47Å; D34-T37 PolarHBondContact OD1-N 3.39Å; D34-T37 PolarHBondContact OD1-OG1 2.97Å; D34-L38 PolarHBondContact O-N 3.22Å; D34-C642 WeakPolarHBondContact CA-O 3.32Å
35A92.8Very high92.8Very high3 Ų347.6 Ų47.63%0.02524%0.24CC..Hα-helixtrans-58-35.8179.300000113.4V39 P508 F640 C642A35-V39 WeakPolarHBondContact O-CG2 3.44Å; A35-V39 PolarHBondContact O-N 3.25Å; A35-V39 VanDerWaalsContact O-N 3.17Å; A35-P508 HydrophobicContact CB-CG 4.03Å; A35-F640 VanDerWaalsContact CB-O 3.25Å; A35-F640 WeakPolarHBondContact CB-O 3.38Å; A35-C642 PolarHBondContact N-O 3.11Å; A35-C642 VanDerWaalsContact N-O 3.14Å
36F93.6Very high92.9Very high33 Ų3344.4 Ų44.415%0.14522%0.219CC..Hα-helixtrans-68.1-43.4178.5-71.5-96.6000111.5D34 V39 R40 V487 I504 F509 F640 W641D34-F36 VanDerWaalsContact C-N 3.26Å; D34-F36 PolarHBondContact O-N 2.88Å; D34-F36 WeakPolarHBondContact OD1-CA 3.2Å; D34-F36 WeakPolarHBondContact OD1-CB 3.42Å; D34-F36 PolarHBondContact OD1-N 2.97Å; F36-V39 PolarHBondContact O-N 3.38Å; F36-R40 VanDerWaalsContact O-CB 3.28Å; F36-R40 WeakPolarHBondContact O-CB 3.45Å; F36-R40 PolarHBondContact O-N 2.78Å; F36-V487 HydrophobicContact CD1-CG1 4.41Å; F36-I504 HydrophobicContact CE1-CD1 4.23Å; F36-F509 HydrophobicContact CD1-CE1 4.29Å; F36-F509 HydrophobicContact CD1-CE2 4.47Å; F36-F509 AromaticContact CD1-CZ 3.63Å; F36-F509 HydrophobicContact CD1-CZ 3.63Å; F36-F509 HydrophobicContact CD2-CE1 4.45Å; F36-F509 AromaticContact CD2-CZ 3.98Å; F36-F509 HydrophobicContact CD2-CZ 3.98Å; F36-F509 AromaticContact CE1-CE1 3.74Å; F36-F509 HydrophobicContact CE1-CE1 3.74Å; F36-F509 AromaticContact CE1-CZ 3.55Å; F36-F509 HydrophobicContact CE1-CZ 3.55Å; F36-F509 AromaticContact CE2-CE1 3.91Å; F36-F509 HydrophobicContact CE2-CE1 3.91Å; F36-F509 AromaticContact CE2-CZ 3.9Å; F36-F509 HydrophobicContact CE2-CZ 3.9Å; F36-F509 AromaticContact CG-CZ 3.85Å; F36-F509 HydrophobicContact CG-CZ 3.85Å; F36-F509 AromaticContact CZ-CE1 3.53Å; F36-F509 HydrophobicContact CZ-CE1 3.53Å; F36-F509 AromaticContact CZ-CZ 3.7Å; F36-F509 HydrophobicContact CZ-CZ 3.7Å; F36-F640 HydrophobicContact CE2-CD2 4.02Å; F36-F640 HydrophobicContact CE2-CE2 4.4Å; F36-F640 HydrophobicContact CZ-CD2 4.2Å; F36-F640 HydrophobicContact CZ-CE2 4.31Å; F36-W641 AromaticContact CE2-CE3 3.98Å; F36-W641 HydrophobicContact CE2-CE3 3.98Å; F36-W641 HydrophobicContact CE2-CH2 4.22Å; F36-W641 AromaticContact CE2-CZ3 3.54Å; F36-W641 HydrophobicContact CE2-CZ3 3.54Å; F36-W641 HydrophobicContact CZ-CH2 4.24Å; F36-W641 AromaticContact CZ-CZ3 4Å; F36-W641 HydrophobicContact CZ-CZ3 4Å
37T93.4Very high93.1Very high13 Ų1342.6 Ų42.68%0.0821%0.21CC..Hα-helixtrans-63.5-42.2175.955.80000112R32 D34 V39 R40 D41R32-T37 HydrophobicContact CG-CG2 4.12Å; D34-T37 PolarHBondContact N-OG1 3.02Å; D34-T37 PolarHBondContact O-N 2.91Å; D34-T37 PolarHBondContact O-OG1 2.86Å; D34-T37 WeakPolarHBondContact OD1-CG2 3.47Å; D34-T37 PolarHBondContact OD1-N 3.39Å; D34-T37 PolarHBondContact OD1-OG1 2.97Å; T37-V39 PolarHBondContact O-N 3.02Å; T37-R40 PolarHBondContact O-N 3.32Å; T37-D41 WeakPolarHBondContact O-CB 3.45Å; T37-D41 PolarHBondContact O-N 2.79Å
38L92.8Very high93.3Very high49 Ų4943.7 Ų43.726%0.25721%0.208SC..Hα-helixtrans-56.7-48.7175.4-77.2169.8000112.1W20 Q33 D34 D41 N42W20-L38 HydrophobicContact CZ2-CD1 3.7Å; Q33-L38 VanDerWaalsContact NE2-CG 3.33Å; D34-L38 PolarHBondContact O-N 3.22Å; L38-D41 PolarHBondContact O-N 3.2Å; L38-N42 VanDerWaalsContact O-CG 3.26Å; L38-N42 PolarHBondContact O-N 2.87Å; L38-N42 PolarHBondContact O-ND2 3.49Å
39V94.1Very high93.8Very high3 Ų342.2 Ų42.22%0.01820%0.199CC..Hα-helixtrans-67.2-40178.8-179.50000110.6A35 F36 T37 D41 N42 V43 V487 Q506 P507 P508 F509A35-V39 WeakPolarHBondContact O-CG2 3.44Å; A35-V39 PolarHBondContact O-N 3.25Å; A35-V39 VanDerWaalsContact O-N 3.17Å; F36-V39 PolarHBondContact O-N 3.38Å; T37-V39 PolarHBondContact O-N 3.02Å; V39-D41 VanDerWaalsContact C-N 3.32Å; V39-D41 PolarHBondContact O-N 3.02Å; V39-N42 PolarHBondContact O-N 3.24Å; V39-V43 HydrophobicContact CG1-CG2 4.25Å; V39-V43 WeakPolarHBondContact O-CB 3.46Å; V39-V43 VanDerWaalsContact O-CG2 3.26Å; V39-V43 WeakPolarHBondContact O-CG2 3.37Å; V39-V43 PolarHBondContact O-N 3.12Å; V39-V487 HydrophobicContact CB-CG1 3.95Å; V39-V487 HydrophobicContact CB-CG2 4.41Å; V39-V487 HydrophobicContact CG1-CB 4.49Å; V39-V487 HydrophobicContact CG1-CG1 3.8Å; V39-V487 HydrophobicContact CG1-CG2 3.8Å; V39-Q506 HydrophobicContact CG1-CB 4.42Å; V39-P507 WeakPolarHBondContact CG2-O 3.49Å; V39-P508 VanDerWaalsContact CG2-CD 3.46Å; V39-F509 HydrophobicContact CB-CE2 4.38Å; V39-F509 HydrophobicContact CG2-CD2 4.29Å; V39-F509 HydrophobicContact CG2-CE2 3.91Å
40R94.7Very high94.3Very high83 Ų8337.5 Ų37.531%0.31318%0.178SC..Hα-helixtrans-61.1-41177.3-169.3179.4-66137.92112.1F36 T37 V43 K44 V487F36-R40 VanDerWaalsContact O-CB 3.28Å; F36-R40 WeakPolarHBondContact O-CB 3.45Å; F36-R40 PolarHBondContact O-N 2.78Å; T37-R40 PolarHBondContact O-N 3.32Å; R40-V43 PolarHBondContact O-N 3.5Å; R40-K44 VanDerWaalsContact O-CG 3.29Å; R40-K44 WeakPolarHBondContact O-CG 3.43Å; R40-K44 PolarHBondContact O-N 2.98Å; R40-V487 HydrophobicContact CB-CB 4.41Å; R40-V487 HydrophobicContact CB-CG2 4.24Å
41D93.4Very high94.6Very high41 Ų4135.8 Ų35.822%0.21917%0.168CC..Hα-helixtrans-67.7-42.6177.5-65.4-17.7000111T37 L38 V39 V43 K44 D45T37-D41 WeakPolarHBondContact O-CB 3.45Å; T37-D41 PolarHBondContact O-N 2.79Å; L38-D41 PolarHBondContact O-N 3.2Å; V39-D41 VanDerWaalsContact C-N 3.32Å; V39-D41 PolarHBondContact O-N 3.02Å; D41-V43 PolarHBondContact O-N 3.15Å; D41-K44 PolarHBondContact O-N 2.76Å; D41-D45 PolarHBondContact O-N 3.19Å
42N94.7Very high94.7Very high91 Ų9139.2 Ų39.249%0.48718%0.183SC..Hα-helixtrans-61.4-41.5174.7-70.7-21000112.6L38 V39 D45 S46L38-N42 VanDerWaalsContact O-CG 3.26Å; L38-N42 PolarHBondContact O-N 2.87Å; L38-N42 PolarHBondContact O-ND2 3.49Å; V39-N42 PolarHBondContact O-N 3.24Å; N42-D45 PolarHBondContact O-N 3.09Å; N42-S46 WeakPolarHBondContact O-CB 3.39Å; N42-S46 PolarHBondContact O-N 2.9Å; N42-S46 PolarHBondContact O-OG 2.8Å
43V96Very high94.6Very high4 Ų438.7 Ų38.72%0.02419%0.186CC..Hα-helixtrans-64.2-44176.2168.30000110.3V39 R40 D41 S46 I47 F358 V487 A503V39-V43 HydrophobicContact CG1-CG2 4.25Å; V39-V43 WeakPolarHBondContact O-CB 3.46Å; V39-V43 VanDerWaalsContact O-CG2 3.26Å; V39-V43 WeakPolarHBondContact O-CG2 3.37Å; V39-V43 PolarHBondContact O-N 3.12Å; R40-V43 PolarHBondContact O-N 3.5Å; D41-V43 PolarHBondContact O-N 3.15Å; V43-S46 WeakPolarHBondContact O-CB 3.29Å; V43-S46 PolarHBondContact O-N 3.25Å; V43-I47 HydrophobicContact CG1-CD1 3.81Å; V43-I47 HydrophobicContact CG1-CG1 4.48Å; V43-I47 WeakPolarHBondContact O-CG1 3.5Å; V43-I47 PolarHBondContact O-N 2.8Å; V43-F358 HydrophobicContact CB-CE2 4.19Å; V43-F358 HydrophobicContact CG1-CD2 4.08Å; V43-F358 HydrophobicContact CG1-CE2 3.73Å; V43-F358 HydrophobicContact CG1-CZ 4.2Å; V43-F358 HydrophobicContact CG2-CE2 3.87Å; V43-F358 HydrophobicContact CG2-CZ 3.87Å; V43-V487 HydrophobicContact CB-CG2 4.34Å; V43-V487 HydrophobicContact CG2-CG2 3.86Å; V43-A503 HydrophobicContact CG1-CB 4.17Å; V43-A503 HydrophobicContact CG2-CB 4Å
44K95.5Very high94.2Very high30 Ų3042.6 Ų42.613%0.1321%0.207CC..Hα-helixtrans-60.5-46.3175.7-74.9172.5175.7-1720112.4R40 D41 S46 I47 R48 D333 I336 S337R40-K44 VanDerWaalsContact O-CG 3.29Å; R40-K44 WeakPolarHBondContact O-CG 3.43Å; R40-K44 PolarHBondContact O-N 2.98Å; D41-K44 PolarHBondContact O-N 2.76Å; K44-S46 VanDerWaalsContact C-N 3.28Å; K44-S46 PolarHBondContact O-N 3.49Å; K44-I47 PolarHBondContact O-N 3.04Å; K44-R48 VanDerWaalsContact O-CB 3.29Å; K44-R48 WeakPolarHBondContact O-CB 3.49Å; K44-R48 PolarHBondContact O-N 3.1Å; K44-D333 HydrophobicContact CD-CB 4.1Å; K44-I336 HydrophobicContact CB-CG2 4.3Å; K44-I336 HydrophobicContact CG-CB 4.26Å; K44-I336 HydrophobicContact CG-CG2 3.91Å; K44-S337 WeakPolarHBondContact CE-OG 3.28Å; K44-S337 PolarHBondContact NZ-OG 2.92Å; K44-S337 VanDerWaalsContact NZ-OG 3.08Å
45D95.7Very high93.9Very high49 Ų4950 Ų5026%0.26224%0.24SC..Hα-helixtrans-64.1-35.1178-80.6-23000112D41 N42 R48 K49 R330D41-D45 PolarHBondContact O-N 3.19Å; N42-D45 PolarHBondContact O-N 3.09Å; D45-R48 IonicContact OD1-NE 3.04Å; D45-R48 IonicContact OD1-NH2 3.04Å; D45-K49 WeakPolarHBondContact O-CB 3.38Å; D45-K49 PolarHBondContact O-N 3.06Å; D45-R330 IonicContact OD1-CZ 2.65Å; D45-R330 IonicContact OD1-NH1 3Å; D45-R330 IonicContact OD1-NH2 3.27Å; D45-R330 PolarHBondContact OD1-NH2 2.76Å; D45-R330 IonicContact OD2-NH2 3.69Å
46S95.7Very high93.7Very high21 Ų2152.5 Ų52.515%0.14725%0.253CS..Hα-helixtrans-66.3-48.4175.6-62.70000112.2N42 V43 K44 K49 I50 Y362N42-S46 WeakPolarHBondContact O-CB 3.39Å; N42-S46 PolarHBondContact O-N 2.9Å; N42-S46 PolarHBondContact O-OG 2.8Å; V43-S46 WeakPolarHBondContact O-CB 3.29Å; V43-S46 PolarHBondContact O-N 3.25Å; K44-S46 VanDerWaalsContact C-N 3.28Å; K44-S46 PolarHBondContact O-N 3.49Å; S46-K49 PolarHBondContact O-N 3.25Å; S46-I50 WeakPolarHBondContact O-CG1 3.47Å; S46-I50 PolarHBondContact O-N 3.15Å; S46-Y362 WeakPolarHBondContact CB-OH 3.3Å; S46-Y362 PolarHBondContact OG-OH 3.25Å
47I96.5Very high93.4Very high0 Ų051.4 Ų51.40%025%0.249CC..Hα-helixtrans-63.3-43.9176.9-63.8164.3000110.3V43 K44 K49 I50 L51 I336 V354 F358 A485V43-I47 HydrophobicContact CG1-CD1 3.81Å; V43-I47 HydrophobicContact CG1-CG1 4.48Å; V43-I47 WeakPolarHBondContact O-CG1 3.5Å; V43-I47 PolarHBondContact O-N 2.8Å; K44-I47 PolarHBondContact O-N 3.04Å; I47-K49 VanDerWaalsContact C-N 3.33Å; I47-K49 PolarHBondContact O-N 3.35Å; I47-I50 PolarHBondContact O-N 2.84Å; I47-I50 VanDerWaalsContact O-N 3.12Å; I47-L51 HydrophobicContact CG2-CD1 3.8Å; I47-L51 HydrophobicContact CG2-CG 4.17Å; I47-L51 WeakPolarHBondContact O-CG 3.4Å; I47-L51 PolarHBondContact O-N 3.34Å; I47-I336 HydrophobicContact CB-CD1 4.31Å; I47-I336 HydrophobicContact CB-CG2 4.2Å; I47-I336 HydrophobicContact CD1-CG2 3.94Å; I47-I336 HydrophobicContact CG2-CD1 3.71Å; I47-I336 HydrophobicContact CG2-CG2 4.18Å; I47-V354 HydrophobicContact CD1-CG2 4.14Å; I47-V354 HydrophobicContact CG2-CG2 3.57Å; I47-F358 HydrophobicContact CD1-CB 4.49Å; I47-F358 HydrophobicContact CD1-CD2 4.41Å; I47-F358 HydrophobicContact CG1-CB 4.2Å; I47-F358 HydrophobicContact CG1-CD2 3.99Å; I47-A485 HydrophobicContact CD1-CB 3.84Å
48R95.8Very high92.9Very high73 Ų7352.4 Ų52.428%0.27526%0.256SS..Hα-helixtrans-53.5-50.5175.4174.617575.186.10.1111.2K44 D45 I50 L51 E52 Y71 I336K44-R48 VanDerWaalsContact O-CB 3.29Å; K44-R48 WeakPolarHBondContact O-CB 3.49Å; K44-R48 PolarHBondContact O-N 3.1Å; D45-R48 IonicContact OD1-NE 3.04Å; D45-R48 IonicContact OD1-NH2 3.04Å; R48-I50 VanDerWaalsContact C-N 3.26Å; R48-I50 PolarHBondContact O-N 3.39Å; R48-L51 PolarHBondContact O-N 3.35Å; R48-E52 WeakPolarHBondContact CD-OE1 3.35Å; R48-E52 VanDerWaalsContact CG-CD 3.43Å; R48-E52 HydrophobicContact CG-CG 4.16Å; R48-E52 VanDerWaalsContact CG-OE1 3.25Å; R48-E52 WeakPolarHBondContact CG-OE1 3.44Å; R48-E52 IonicContact CZ-OE2 3.59Å; R48-E52 IonicContact NH1-OE1 3.34Å; R48-E52 IonicContact NH1-OE2 3.99Å; R48-E52 PolarHBondContact NH1-OE2 3.26Å; R48-E52 WeakPolarHBondContact O-CB 3.38Å; R48-E52 WeakPolarHBondContact O-CG 3.37Å; R48-E52 PolarHBondContact O-N 2.91Å; R48-Y71 WeakPolarHBondContact CG-OH 3.46Å; R48-I336 HydrophobicContact CB-CG1 4.48Å
49K95.7Very high92.4Very high124 Ų12454.5 Ų54.554%0.53927%0.265SS..Hα-helixtrans-57-40178.6-177.3-176.9174.3-171.60112.1D45 S46 I47 D53D45-K49 WeakPolarHBondContact O-CB 3.38Å; D45-K49 PolarHBondContact O-N 3.06Å; S46-K49 PolarHBondContact O-N 3.25Å; I47-K49 VanDerWaalsContact C-N 3.33Å; I47-K49 PolarHBondContact O-N 3.35Å; K49-D53 WeakPolarHBondContact O-CB 3.11Å; K49-D53 PolarHBondContact O-N 3.3Å
50I95.2Very high92.2Very high3 Ų360.7 Ų60.72%0.01530%0.297CS..Hα-helixtrans-70.8-41.6178.9-62.2161.1000111.5S46 I47 R48 D53 L56 V357 H361 Y362S46-I50 WeakPolarHBondContact O-CG1 3.47Å; S46-I50 PolarHBondContact O-N 3.15Å; I47-I50 PolarHBondContact O-N 2.84Å; I47-I50 VanDerWaalsContact O-N 3.12Å; R48-I50 VanDerWaalsContact C-N 3.26Å; R48-I50 PolarHBondContact O-N 3.39Å; I50-D53 PolarHBondContact O-N 3.32Å; I50-D53 VanDerWaalsContact O-O 3.06Å; I50-L56 HydrophobicContact CB-CB 4.4Å; I50-L56 HydrophobicContact CG1-CB 4.48Å; I50-L56 HydrophobicContact CG1-CD1 4.24Å; I50-L56 HydrophobicContact CG2-CB 3.84Å; I50-V357 HydrophobicContact CB-CG1 3.87Å; I50-V357 HydrophobicContact CD1-CG1 4.19Å; I50-V357 HydrophobicContact CG2-CG1 3.42Å; I50-V357 VanDerWaalsContact CG2-CG1 3.42Å; I50-H361 HydrophobicContact CD1-CB 4.03Å; I50-Y362 HydrophobicContact CD1-CD2 4.27Å; I50-Y362 HydrophobicContact CD1-CE2 3.73Å
51L95.1Very high92.2Very high2 Ų256.7 Ų56.71%0.0128%0.283CS..Hα-helixtrans-72-28.5179.8-67.4176.5000113.2I47 R48 L57 K68 Y71 I336 L339 V357I47-L51 HydrophobicContact CG2-CD1 3.8Å; I47-L51 HydrophobicContact CG2-CG 4.17Å; I47-L51 WeakPolarHBondContact O-CG 3.4Å; I47-L51 PolarHBondContact O-N 3.34Å; R48-L51 PolarHBondContact O-N 3.35Å; L51-L57 HydrophobicContact CD2-CD1 4.35Å; L51-K68 HydrophobicContact CD2-CB 4.36Å; L51-K68 VanDerWaalsContact O-CE 3.28Å; L51-K68 WeakPolarHBondContact O-CE 3.32Å; L51-K68 PolarHBondContact O-NZ 3.14Å; L51-Y71 HydrophobicContact CB-CD1 4.07Å; L51-Y71 HydrophobicContact CB-CE1 4.42Å; L51-Y71 HydrophobicContact CB-CG 4.29Å; L51-Y71 HydrophobicContact CD1-CD1 4.47Å; L51-Y71 HydrophobicContact CD1-CD2 3.92Å; L51-Y71 HydrophobicContact CD1-CG 3.86Å; L51-I336 HydrophobicContact CD1-CD1 3.67Å; L51-L339 HydrophobicContact CD1-CD1 3.89Å; L51-V357 HydrophobicContact CD2-CG1 4.32Å; L51-V357 HydrophobicContact CD2-CG2 4.35Å
52E94.3Very high92.3Very high95 Ų9557.7 Ų57.744%0.44429%0.285SS..Hα-helixtrans-81.5-15.3175.9-70.4175.7173.700112.8R48 Y71R48-E52 WeakPolarHBondContact CD-OE1 3.35Å; R48-E52 VanDerWaalsContact CG-CD 3.43Å; R48-E52 HydrophobicContact CG-CG 4.16Å; R48-E52 VanDerWaalsContact CG-OE1 3.25Å; R48-E52 WeakPolarHBondContact CG-OE1 3.44Å; R48-E52 IonicContact CZ-OE2 3.59Å; R48-E52 IonicContact NH1-OE1 3.34Å; R48-E52 IonicContact NH1-OE2 3.99Å; R48-E52 PolarHBondContact NH1-OE2 3.26Å; R48-E52 WeakPolarHBondContact O-CB 3.38Å; R48-E52 WeakPolarHBondContact O-CG 3.37Å; R48-E52 PolarHBondContact O-N 2.91Å; E52-Y71 HydrophobicContact CG-CE1 3.93Å; E52-Y71 PolarHBondContact OE1-OH 3.24Å; E52-Y71 VanDerWaalsContact OE1-OH 3.12Å
53D93.3Very high92.4Very high62 Ų6253.3 Ų53.333%0.33226%0.262SS..  trans-113101.2179.5-171.3-17000111.2K49 I50 Q55 L56K49-D53 WeakPolarHBondContact O-CB 3.11Å; K49-D53 PolarHBondContact O-N 3.3Å; I50-D53 PolarHBondContact O-N 3.32Å; I50-D53 VanDerWaalsContact O-O 3.06Å; D53-Q55 PolarHBondContact O-N 2.79Å; D53-Q55 WeakPolarHBondContact OD1-CB 3.34Å; D53-Q55 PolarHBondContact OD1-N 3.2Å; D53-L56 HydrophobicContact CB-CB 4.47Å; D53-L56 HydrophobicContact CB-CD1 3.94Å; D53-L56 HydrophobicContact CB-CG 4.04Å; D53-L56 PolarHBondContact O-N 3.04Å
54D85.5Confident92.4Very high91 Ų9153.2 Ų53.249%0.48726%0.261SS..THydrogen-bonded Turntrans-56.3-20.6180-74.3-30.3000113.6L56 H59 K68D54-L56 VanDerWaalsContact C-N 3.33Å; D54-H59 PolarHBondContact O-NE2 2.88Å; D54-K68 WeakPolarHBondContact OD1-CE 3.38Å
55Q89.1Confident92.4Very high179 Ų17956.5 Ų56.584%0.83627%0.272SS*.THydrogen-bonded Turntrans-76.9-21.7178.3-58.7-172.1-2.500113D53D53-Q55 PolarHBondContact O-N 2.79Å; D53-Q55 WeakPolarHBondContact OD1-CB 3.34Å; D53-Q55 PolarHBondContact OD1-N 3.2Å
56L88.3Confident92.4Very high56 Ų5654.5 Ų54.529%0.29326%0.261SS..THydrogen-bonded Turntrans-91-17.5-176.6-61.2-178.8000113I50 D53 D54 H361I50-L56 HydrophobicContact CB-CB 4.4Å; I50-L56 HydrophobicContact CG1-CB 4.48Å; I50-L56 HydrophobicContact CG1-CD1 4.24Å; I50-L56 HydrophobicContact CG2-CB 3.84Å; D53-L56 HydrophobicContact CB-CB 4.47Å; D53-L56 HydrophobicContact CB-CD1 3.94Å; D53-L56 HydrophobicContact CB-CG 4.04Å; D53-L56 PolarHBondContact O-N 3.04Å; D54-L56 VanDerWaalsContact C-N 3.33Å; L56-H361 PolarHBondContact O-CE1 3.48Å; L56-H361 PolarHBondContact O-NE2 2.86Å
57L87.6Confident92.4Very high10 Ų1053.5 Ų53.55%0.05226%0.255CS..SBendtrans-89.2133.8-178.8-167.967.3000111.5L51 H59 L64 K68 V357L51-L57 HydrophobicContact CD2-CD1 4.35Å; L57-H59 PolarHBondContact O-CD2 3.21Å; L57-H59 VanDerWaalsContact O-CD2 3.24Å; L57-H59 PolarHBondContact O-N 3.42Å; L57-H59 PolarHBondContact O-NE2 3.39Å; L57-L64 HydrophobicContact CD1-CB 4.16Å; L57-L64 HydrophobicContact CG-CB 4.46Å; L57-K68 HydrophobicContact CD2-CB 3.79Å; L57-K68 HydrophobicContact CD2-CD 4.02Å; L57-K68 HydrophobicContact CD2-CG 4.32Å; L57-V357 HydrophobicContact CD1-CG1 4.48Å; L57-V357 HydrophobicContact CD1-CG2 3.75Å
58S82.9Confident92.4Very high34 Ų3455 Ų5524%0.23826%0.261CS..  trans-67.1118.6170.6173.80000110.2N60S58-N60 VanDerWaalsContact C-N 3.32Å; S58-N60 PolarHBondContact OG-N 3.13Å
59H82.6Confident92.3Very high94 Ų9454.2 Ų54.244%0.43526%0.261SS..SBendtrans-85.4-1.9178.4-70.3-72.4000113.7D54 L57 R65D54-H59 PolarHBondContact O-NE2 2.88Å; L57-H59 PolarHBondContact O-CD2 3.21Å; L57-H59 VanDerWaalsContact O-CD2 3.24Å; L57-H59 PolarHBondContact O-N 3.42Å; L57-H59 PolarHBondContact O-NE2 3.39Å; H59-R65 PolarHBondContact O-NH1 3.14Å
60N89.2Confident92.3Very high132 Ų13248.3 Ų48.371%0.70624%0.235SC*.SBendtrans-78.5-43.3-179.7-70.6-22.4000111.5S58 R65 D420S58-N60 VanDerWaalsContact C-N 3.32Å; S58-N60 PolarHBondContact OG-N 3.13Å; N60-R65 PolarHBondContact O-NH1 3.04Å; N60-D420 VanDerWaalsContact CB-OD2 3.24Å; N60-D420 WeakPolarHBondContact CB-OD2 3.43Å
61S94.6Very high92.3Very high0 Ų048.3 Ų48.30%024%0.235CC..  trans-74128.2177.5166.10000112.3I63 L64 R65 D424S61-I63 VanDerWaalsContact OG-CG2 3.25Å; S61-I63 WeakPolarHBondContact OG-CG2 3.44Å; S61-I63 PolarHBondContact OG-N 2.78Å; S61-L64 PolarHBondContact OG-N 3.1Å; S61-R65 PolarHBondContact O-N 3.48Å; S61-R65 PolarHBondContact O-NH1 3.2Å; S61-D424 PolarHBondContact OG-OD1 3Å
62K95.5Very high92.3Very high61 Ų6150.8 Ų50.827%0.26525%0.248SC..Hα-helixtrans-66.5-38.7175.6-59.3-175.5-177.8-175.20111.4L64 R65 L66 D424 I431 D434K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 2.83Å; K62-R65 PolarHBondContact O-N 3.27Å; K62-L66 PolarHBondContact O-N 3.4Å; K62-D424 WeakPolarHBondContact CB-OD2 3.26Å; K62-D424 WeakPolarHBondContact CG-OD2 3.43Å; K62-D424 VanDerWaalsContact N-CG 3.34Å; K62-D424 PolarHBondContact N-OD1 3.27Å; K62-D424 PolarHBondContact N-OD2 3.37Å; K62-I431 HydrophobicContact CB-CD1 4.2Å; K62-I431 HydrophobicContact CB-CG2 3.84Å; K62-I431 HydrophobicContact CD-CG2 4.02Å; K62-D434 IonicContact NZ-OD1 2.67Å; K62-D434 PolarHBondContact NZ-OD1 3.23Å; K62-D434 IonicContact NZ-OD2 3.53Å; K62-D434 PolarHBondContact NZ-OD2 3.32Å
63I96.3Very high92.2Very high0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-68.4-33.5-179.7-168.160.7000112.4S61 L66 A67 L350 A353 L423 D424 Y427 I431S61-I63 VanDerWaalsContact OG-CG2 3.25Å; S61-I63 WeakPolarHBondContact OG-CG2 3.44Å; S61-I63 PolarHBondContact OG-N 2.78Å; I63-L66 HydrophobicContact CD1-CB 4.21Å; I63-L66 HydrophobicContact CD1-CD2 3.87Å; I63-L66 HydrophobicContact CD1-CG 4.44Å; I63-L66 CarbonylContact O-C 3.55Å; I63-L66 PolarHBondContact O-N 2.95Å; I63-A67 WeakPolarHBondContact O-CB 3.29Å; I63-A67 PolarHBondContact O-N 3.41Å; I63-L350 HydrophobicContact CD1-CD2 4.12Å; I63-A353 HydrophobicContact CG1-CB 3.7Å; I63-A353 HydrophobicContact CG2-CB 4.17Å; I63-L423 HydrophobicContact CG2-CD2 3.82Å; I63-L423 HydrophobicContact CG2-CG 3.64Å; I63-D424 WeakPolarHBondContact CG2-OD1 3.33Å; I63-D424 PolarHBondContact N-OD1 3.46Å; I63-Y427 HydrophobicContact CB-CD2 4.24Å; I63-Y427 HydrophobicContact CD1-CD1 4.28Å; I63-Y427 HydrophobicContact CD1-CD2 4.14Å; I63-Y427 HydrophobicContact CD1-CG 3.77Å; I63-Y427 HydrophobicContact CG1-CD2 3.56Å; I63-Y427 HydrophobicContact CG1-CE2 4.18Å; I63-Y427 HydrophobicContact CG1-CG 3.75Å; I63-Y427 HydrophobicContact CG2-CD2 4.24Å; I63-I431 HydrophobicContact CB-CD1 4Å; I63-I431 HydrophobicContact CD1-CD1 4.34Å; I63-I431 HydrophobicContact CD1-CG1 4.15Å
64L96.2Very high92.2Very high1 Ų144.5 Ų44.51%0.00522%0.219CC..Hα-helixtrans-65.9-41.5177.7-63.5-174.3000111.1L57 S61 K62 L66 A67 K68 A353 R356 V357 L423L57-L64 HydrophobicContact CD1-CB 4.16Å; L57-L64 HydrophobicContact CG-CB 4.46Å; S61-L64 PolarHBondContact OG-N 3.1Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 2.83Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L64-L66 PolarHBondContact O-N 2.96Å; L64-A67 PolarHBondContact O-N 3.26Å; L64-K68 PolarHBondContact O-N 2.96Å; L64-A353 HydrophobicContact CD2-CB 4.29Å; L64-A353 WeakPolarHBondContact CD2-O 3.21Å; L64-R356 HydrophobicContact CD1-CG 4.08Å; L64-R356 HydrophobicContact CD2-CB 4.26Å; L64-R356 HydrophobicContact CD2-CG 4.04Å; L64-V357 HydrophobicContact CD2-CG2 3.89Å; L64-L423 HydrophobicContact CD2-CD2 4.25Å
65R94.9Very high92.6Very high99 Ų9943.3 Ų43.337%0.37421%0.211SC..Hα-helixtrans-62.8-40171.8-61.9-167-54.9-83.61.4111.9H59 N60 S61 K62 K68 Q69H59-R65 PolarHBondContact O-NH1 3.14Å; N60-R65 PolarHBondContact O-NH1 3.04Å; S61-R65 PolarHBondContact O-N 3.48Å; S61-R65 PolarHBondContact O-NH1 3.2Å; K62-R65 PolarHBondContact O-N 3.27Å; R65-K68 PolarHBondContact O-N 3.27Å; R65-Q69 PolarHBondContact O-N 3.11Å
66L95.7Very high92.4Very high7 Ų741.1 Ų41.14%0.03720%0.201CC..Hα-helixtrans-66.3-39.5176-174.562.7000112.1K62 I63 L64 K68 Q69 V70 L430 I431 I446K62-L66 PolarHBondContact O-N 3.4Å; I63-L66 HydrophobicContact CD1-CB 4.21Å; I63-L66 HydrophobicContact CD1-CD2 3.87Å; I63-L66 HydrophobicContact CD1-CG 4.44Å; I63-L66 CarbonylContact O-C 3.55Å; I63-L66 PolarHBondContact O-N 2.95Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L64-L66 PolarHBondContact O-N 2.96Å; L66-K68 VanDerWaalsContact C-N 3.32Å; L66-K68 PolarHBondContact O-N 3.22Å; L66-Q69 WeakPolarHBondContact O-CB 3.29Å; L66-Q69 PolarHBondContact O-N 3.41Å; L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 2.85Å; L66-L430 HydrophobicContact CD2-CB 4.34Å; L66-I431 HydrophobicContact CD2-CG1 4.02Å; L66-I446 HydrophobicContact CD1-CB 4.04Å; L66-I446 HydrophobicContact CD1-CG2 3.84Å; L66-I446 HydrophobicContact CD2-CB 4.39Å; L66-I446 HydrophobicContact CD2-CD1 4.17Å
67A96Very high91.2Very high1 Ų143.2 Ų43.21%0.00821%0.209CC..Hα-helixtrans-62.1-40.4175.600000111.4I63 L64 V70 Y71 L350 A353I63-A67 WeakPolarHBondContact O-CB 3.29Å; I63-A67 PolarHBondContact O-N 3.41Å; L64-A67 PolarHBondContact O-N 3.26Å; A67-V70 PolarHBondContact O-N 3.15Å; A67-Y71 PolarHBondContact O-N 3.38Å; A67-L350 HydrophobicContact CB-CD1 4.39Å; A67-A353 HydrophobicContact CB-CB 4.33Å
68K95.6Very high89.5Confident31 Ų3148.7 Ų48.714%0.13524%0.243CC..Hα-helixtrans-61.7-47.2170.1-173.1-166.8-178.4-25.20111.8L51 D54 L57 L64 R65 L66 V70 Y71 D72L51-K68 HydrophobicContact CD2-CB 4.36Å; L51-K68 VanDerWaalsContact O-CE 3.28Å; L51-K68 WeakPolarHBondContact O-CE 3.32Å; L51-K68 PolarHBondContact O-NZ 3.14Å; D54-K68 WeakPolarHBondContact OD1-CE 3.38Å; L57-K68 HydrophobicContact CD2-CB 3.79Å; L57-K68 HydrophobicContact CD2-CD 4.02Å; L57-K68 HydrophobicContact CD2-CG 4.32Å; L64-K68 PolarHBondContact O-N 2.96Å; R65-K68 PolarHBondContact O-N 3.27Å; L66-K68 VanDerWaalsContact C-N 3.32Å; L66-K68 PolarHBondContact O-N 3.22Å; K68-V70 VanDerWaalsContact C-N 3.3Å; K68-V70 PolarHBondContact O-N 2.86Å; K68-Y71 WeakPolarHBondContact O-CA 3.29Å; K68-Y71 VanDerWaalsContact O-CB 3.28Å; K68-Y71 WeakPolarHBondContact O-CB 3.42Å; K68-Y71 PolarHBondContact O-N 3.37Å; K68-Y71 VanDerWaalsContact O-N 3.08Å; K68-D72 VanDerWaalsContact NZ-CG 3.29Å; K68-D72 IonicContact NZ-OD1 3.13Å; K68-D72 PolarHBondContact NZ-OD1 2.73Å; K68-D72 IonicContact NZ-OD2 3.8Å; K68-D72 PolarHBondContact NZ-OD2 2.9Å; K68-D72 PolarHBondContact O-N 3.05Å
69Q94.6Very high88.1Confident56 Ų5651.6 Ų51.626%0.26226%0.26SS..Hα-helixtrans-57.1-44.3177-176-166-48.600111.6R65 L66 Y71 D72 T73 R447R65-Q69 PolarHBondContact O-N 3.11Å; L66-Q69 WeakPolarHBondContact O-CB 3.29Å; L66-Q69 PolarHBondContact O-N 3.41Å; Q69-Y71 VanDerWaalsContact C-N 3.32Å; Q69-Y71 PolarHBondContact O-N 2.8Å; Q69-D72 PolarHBondContact O-N 3.08Å; Q69-T73 WeakPolarHBondContact O-CB 3.41Å; Q69-T73 PolarHBondContact O-N 3.17Å; Q69-T73 PolarHBondContact O-OG1 2.96Å; Q69-R447 PolarHBondContact NE2-O 3.42Å
70V95.5Very high86.7Confident1 Ų151.6 Ų51.61%0.00627%0.266CS..Hα-helixtrans-62.9-39.8176.4172.90000111.2L66 A67 K68 C74 Y338 L339 L350 I446 I455L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 2.85Å; A67-V70 PolarHBondContact O-N 3.15Å; K68-V70 VanDerWaalsContact C-N 3.3Å; K68-V70 PolarHBondContact O-N 2.86Å; V70-C74 VanDerWaalsContact O-CB 3.3Å; V70-C74 WeakPolarHBondContact O-CB 3.25Å; V70-C74 PolarHBondContact O-N 3.21Å; V70-Y338 HydrophobicContact CG1-CD1 4.23Å; V70-Y338 HydrophobicContact CG1-CE1 3.77Å; V70-L339 HydrophobicContact CB-CD2 4.11Å; V70-L339 HydrophobicContact CG1-CD2 3.7Å; V70-L350 HydrophobicContact CB-CD1 4.42Å; V70-L350 HydrophobicContact CG2-CD1 4.14Å; V70-I446 HydrophobicContact CG2-CD1 4.22Å; V70-I446 HydrophobicContact CG2-CG2 4.47Å; V70-I455 HydrophobicContact CG1-CG2 4.16Å; V70-I455 HydrophobicContact CG2-CD1 4.34Å; V70-I455 HydrophobicContact CG2-CG2 4.07Å
71Y95.6Very high85.1Confident3 Ų347.3 Ų47.31%0.01225%0.249CC..Hα-helixtrans-59.3-51.3172.9177.8-101.1000111.6R48 L51 E52 A67 K68 Q69 T73 C74 M75 C335 I336 L339R48-Y71 WeakPolarHBondContact CG-OH 3.46Å; L51-Y71 HydrophobicContact CB-CD1 4.07Å; L51-Y71 HydrophobicContact CB-CE1 4.42Å; L51-Y71 HydrophobicContact CB-CG 4.29Å; L51-Y71 HydrophobicContact CD1-CD1 4.47Å; L51-Y71 HydrophobicContact CD1-CD2 3.92Å; L51-Y71 HydrophobicContact CD1-CG 3.86Å; E52-Y71 HydrophobicContact CG-CE1 3.93Å; E52-Y71 PolarHBondContact OE1-OH 3.24Å; E52-Y71 VanDerWaalsContact OE1-OH 3.12Å; A67-Y71 PolarHBondContact O-N 3.38Å; K68-Y71 WeakPolarHBondContact O-CA 3.29Å; K68-Y71 VanDerWaalsContact O-CB 3.28Å; K68-Y71 WeakPolarHBondContact O-CB 3.42Å; K68-Y71 PolarHBondContact O-N 3.37Å; K68-Y71 VanDerWaalsContact O-N 3.08Å; Q69-Y71 VanDerWaalsContact C-N 3.32Å; Q69-Y71 PolarHBondContact O-N 2.8Å; Y71-T73 PolarHBondContact O-N 2.8Å; Y71-C74 WeakPolarHBondContact O-CA 3.44Å; Y71-C74 WeakPolarHBondContact O-CB 3.42Å; Y71-C74 PolarHBondContact O-N 3.34Å; Y71-C74 VanDerWaalsContact O-N 3.08Å; Y71-M75 HydrophobicContact CD1-CG 4.33Å; Y71-M75 HydrophobicContact CE1-CG 3.83Å; Y71-M75 HydrophobicContact CE2-CG 4.09Å; Y71-M75 HydrophobicContact CE2-SD 4.37Å; Y71-M75 WeakPolarHBondContact O-CG 3.33Å; Y71-M75 PolarHBondContact O-N 3.18Å; Y71-C335 HydrophobicContact CD2-CB 3.88Å; Y71-C335 HydrophobicContact CE2-CB 3.93Å; Y71-I336 HydrophobicContact CD2-CD1 3.66Å; Y71-I336 HydrophobicContact CE2-CD1 3.53Å; Y71-I336 HydrophobicContact CE2-CG1 4.16Å; Y71-L339 HydrophobicContact CD2-CD1 4.29Å
72D94.8Very high83.2Confident54 Ų5452.8 Ų52.829%0.28928%0.277SS..Hα-helixtrans-61.2-46.6-179.4-64.4-22.2000110.7K68 Q69 C74 M75 E76K68-D72 VanDerWaalsContact NZ-CG 3.29Å; K68-D72 IonicContact NZ-OD1 3.13Å; K68-D72 PolarHBondContact NZ-OD1 2.73Å; K68-D72 IonicContact NZ-OD2 3.8Å; K68-D72 PolarHBondContact NZ-OD2 2.9Å; K68-D72 PolarHBondContact O-N 3.05Å; Q69-D72 PolarHBondContact O-N 3.08Å; D72-C74 VanDerWaalsContact C-N 3.26Å; D72-C74 PolarHBondContact O-N 3.37Å; D72-M75 WeakPolarHBondContact O-CB 3.3Å; D72-M75 PolarHBondContact O-N 2.93Å; D72-E76 WeakPolarHBondContact O-CG 3.44Å; D72-E76 PolarHBondContact O-N 2.97Å
73T93.2Very high81.9Confident24 Ų2455 Ų5515%0.14729%0.291CS..Hα-helixtrans-59.8-35.3174-59.80000112.4Q69 Y71 D450 I455Q69-T73 WeakPolarHBondContact O-CB 3.41Å; Q69-T73 PolarHBondContact O-N 3.17Å; Q69-T73 PolarHBondContact O-OG1 2.96Å; Y71-T73 PolarHBondContact O-N 2.8Å; T73-D450 WeakPolarHBondContact CG2-O 3.38Å; T73-I455 HydrophobicContact CG2-CD1 3.8Å
74C93.4Very high80.5Confident1 Ų156 Ų561%0.00730%0.298CS..Hα-helixtrans-69-36.6175.5179.70000111.8V70 Y71 D72 R331 C335 L452V70-C74 VanDerWaalsContact O-CB 3.3Å; V70-C74 WeakPolarHBondContact O-CB 3.25Å; V70-C74 PolarHBondContact O-N 3.21Å; Y71-C74 WeakPolarHBondContact O-CA 3.44Å; Y71-C74 WeakPolarHBondContact O-CB 3.42Å; Y71-C74 PolarHBondContact O-N 3.34Å; Y71-C74 VanDerWaalsContact O-N 3.08Å; D72-C74 VanDerWaalsContact C-N 3.26Å; D72-C74 PolarHBondContact O-N 3.37Å; C74-R331 VanDerWaalsContact O-CZ 3.25Å; C74-R331 PolarHBondContact O-NE 3.24Å; C74-R331 PolarHBondContact O-NH2 2.89Å; C74-C335 HydrophobicContact CB-CB 3.7Å; C74-C335 WeakPolarHBondContact CB-SG 3.45Å; C74-C335 WeakPolarHBondContact SG-CA 3.37Å; C74-C335 WeakPolarHBondContact SG-CB 3.29Å; C74-C335 CovalentContact SG-SG 2.03Å; C74-C335 PolarHBondContact SG-SG 3.32Å; C74-L452 HydrophobicContact CB-CD1 4.1Å; C74-L452 HydrophobicContact CB-CD2 4.07Å
75M92.4Very high79.8Confident66 Ų6656.2 Ų56.233%0.32530%0.299SS..Hα-helixtrans-72.6-33.8177.9-70.7-62.1-72.100112.7Y71 D72 Q77 R331Y71-M75 HydrophobicContact CD1-CG 4.33Å; Y71-M75 HydrophobicContact CE1-CG 3.83Å; Y71-M75 HydrophobicContact CE2-CG 4.09Å; Y71-M75 HydrophobicContact CE2-SD 4.37Å; Y71-M75 WeakPolarHBondContact O-CG 3.33Å; Y71-M75 PolarHBondContact O-N 3.18Å; D72-M75 WeakPolarHBondContact O-CB 3.3Å; D72-M75 PolarHBondContact O-N 2.93Å; M75-Q77 PolarHBondContact O-N 3.38Å; M75-R331 HydrophobicContact SD-CB 4.36Å; M75-R331 HydrophobicContact SD-CG 4.01Å
76E85.2Confident79.4Confident132 Ų13257 Ų5762%0.61731%0.307SS*.  trans-68107.1176.4-72.8179.7-169.900111.8D72D72-E76 WeakPolarHBondContact O-CG 3.44Å; D72-E76 PolarHBondContact O-N 2.97Å
77Q63.1Low79.1Confident101 Ų10157.8 Ų57.847%0.47231%0.312SS..  trans-97.87.5-175.1-65.9-165.9-8.200114.8M75M75-Q77 PolarHBondContact O-N 3.38Å
78T52.8Low78.9Confident125 Ų12557.7 Ų57.777%0.76731%0.312SS*.  trans-103.29.2-153.937.60000117.9V80T78-V80 PolarHBondContact O-N 3.39Å
79T52.3Low78.7Confident95 Ų9558.4 Ų58.458%0.58332%0.316SS*.SBendtrans-97.194.7-17813.10000113.7
80V53.8Low78.7Confident93 Ų9361.1 Ų61.156%0.56433%0.329SS*.  trans27.8114152.1-167.40000116.8T78 I82 N83T78-V80 PolarHBondContact O-N 3.39Å; V80-I82 PolarHBondContact O-N 3.44Å; V80-N83 PolarHBondContact O-N 3.31Å
81A55Low78.6Confident43 Ų4361.8 Ų61.836%0.35533%0.332SS..THydrogen-bonded Turntrans-39.4-35.2-17900000116.1R311A81-R311 PolarHBondContact O-NH2 2.93Å
82I55.9Low78.6Confident115 Ų11561.9 Ų61.959%0.5933%0.333SS*.Hα-helixtrans-73.9-30.8-175.9-63.7170.9000112.6V80 V84V80-I82 PolarHBondContact O-N 3.44Å; I82-V84 VanDerWaalsContact C-N 3.26Å; I82-V84 PolarHBondContact O-N 3.05Å
83N66.6Low78.5Confident106 Ų10667.2 Ų67.257%0.56735%0.353SS*.Hα-helixtrans-75.7-14.9-175.7-74.8-9.9000113.3V80 P87V80-N83 PolarHBondContact O-N 3.31Å; N83-P87 WeakPolarHBondContact O-CD 3.42Å
84V67.5Low78.5Confident23 Ų2369 Ų6914%0.13937%0.367CS..Hα-helixtrans-92.7-38.4-174.6179.40000112I82 P87 L308 D309I82-V84 VanDerWaalsContact C-N 3.26Å; I82-V84 PolarHBondContact O-N 3.05Å; V84-P87 WeakPolarHBondContact O-CD 3.25Å; V84-L308 HydrophobicContact CG1-CB 3.93Å; V84-L308 HydrophobicContact CG1-CD2 3.51Å; V84-L308 HydrophobicContact CG1-CG 4.31Å; V84-D309 HydrophobicContact CG1-CB 4.4Å; V84-D309 HydrophobicContact CG2-CB 4.32Å
85T82Confident78.5Confident4 Ų469.4 Ų69.43%0.02537%0.369CS..Hα-helixtrans-75.1-27.7-178.8-53.20000112.3L88 M89 M188 D191 Y312T85-L88 PolarHBondContact O-N 2.72Å; T85-M89 HydrophobicContact CG2-CG 4.02Å; T85-M89 VanDerWaalsContact O-CG 3.26Å; T85-M89 WeakPolarHBondContact O-CG 3.47Å; T85-M89 PolarHBondContact O-N 3.23Å; T85-M188 HydrophobicContact CG2-CG 4.46Å; T85-D191 WeakPolarHBondContact CB-OD2 3.45Å; T85-D191 HydrophobicContact CG2-CB 3.8Å; T85-D191 PolarHBondContact OG1-OD2 3.06Å; T85-Y312 PolarHBondContact OG1-OH 3.34Å
86H86.7Confident78.6Confident116 Ų11667.2 Ų67.254%0.53736%0.363SS..Hα-helixtrans-61.9-49.5-179.4-177.278.9000113.6L88 M89 Q90H86-L88 VanDerWaalsContact C-N 3.33Å; H86-L88 PolarHBondContact O-N 3.44Å; H86-M89 WeakPolarHBondContact O-CB 3.42Å; H86-M89 PolarHBondContact O-N 2.96Å; H86-Q90 PolarHBondContact CD2-NE2 2.62Å; H86-Q90 PolarHBondContact NE2-NE2 2.8Å; H86-Q90 WeakPolarHBondContact O-CG 3.44Å; H86-Q90 PolarHBondContact O-N 3.24Å
87P89Confident79Confident23 Ų2361.7 Ų61.715%0.14934%0.341CS..Hα-helixtrans-55.2-42.7171.6-29.136.2000113.9N83 V84 M89 Q90 M91 F453 I454N83-P87 WeakPolarHBondContact O-CD 3.42Å; V84-P87 WeakPolarHBondContact O-CD 3.25Å; P87-M89 VanDerWaalsContact C-N 3.35Å; P87-M89 PolarHBondContact O-N 3.21Å; P87-Q90 WeakPolarHBondContact O-CB 3.14Å; P87-Q90 PolarHBondContact O-N 3.38Å; P87-M91 WeakPolarHBondContact O-CG 3.26Å; P87-M91 PolarHBondContact O-N 3.17Å; P87-M91 VanDerWaalsContact O-N 3.1Å; P87-F453 HydrophobicContact CB-CD1 3.8Å; P87-F453 HydrophobicContact CB-CE1 3.4Å; P87-F453 VanDerWaalsContact CB-CE1 3.4Å; P87-F453 HydrophobicContact CB-CZ 4.39Å; P87-I454 HydrophobicContact CB-CD1 4.14Å; P87-I454 HydrophobicContact CG-CD1 4.32Å
88L92.5Very high80.5Confident0 Ų057 Ų570%032%0.32CS..Hα-helixtrans-61.1-43.6176179.765.5000111.5T85 H86 Q90 M91 V92 M188 I301 Q304 L308 Y312 F453T85-L88 PolarHBondContact O-N 2.72Å; H86-L88 VanDerWaalsContact C-N 3.33Å; H86-L88 PolarHBondContact O-N 3.44Å; L88-Q90 VanDerWaalsContact C-N 3.3Å; L88-Q90 PolarHBondContact O-N 3.11Å; L88-M91 WeakPolarHBondContact O-CB 3.5Å; L88-M91 PolarHBondContact O-N 2.73Å; L88-M91 VanDerWaalsContact O-N 3.13Å; L88-V92 WeakPolarHBondContact O-CG2 3.36Å; L88-V92 PolarHBondContact O-N 2.97Å; L88-M188 HydrophobicContact CD2-CE 3.92Å; L88-M188 HydrophobicContact CD2-SD 4.16Å; L88-M188 HydrophobicContact CG-CE 4.23Å; L88-I301 HydrophobicContact CD1-CG1 4.3Å; L88-I301 HydrophobicContact CD2-CG2 4.48Å; L88-Q304 HydrophobicContact CD1-CB 4.32Å; L88-L308 HydrophobicContact CD2-CD1 3.84Å; L88-Y312 HydrophobicContact CD2-CE1 4.43Å; L88-F453 HydrophobicContact CB-CZ 4.35Å
89M91.7Very high82.5Confident46 Ų4651.2 Ų51.223%0.22728%0.284CS..Hα-helixtrans-63-35.3176.9-71.2-69.2-69.600112.4T85 H86 P87 V92 K93 L101 M188T85-M89 HydrophobicContact CG2-CG 4.02Å; T85-M89 VanDerWaalsContact O-CG 3.26Å; T85-M89 WeakPolarHBondContact O-CG 3.47Å; T85-M89 PolarHBondContact O-N 3.23Å; H86-M89 WeakPolarHBondContact O-CB 3.42Å; H86-M89 PolarHBondContact O-N 2.96Å; P87-M89 VanDerWaalsContact C-N 3.35Å; P87-M89 PolarHBondContact O-N 3.21Å; M89-V92 PolarHBondContact O-N 3.5Å; M89-K93 WeakPolarHBondContact O-CB 3.35Å; M89-K93 PolarHBondContact O-N 2.99Å; M89-L101 HydrophobicContact CE-CD1 3.88Å; M89-L101 HydrophobicContact SD-CD1 3.66Å; M89-M188 HydrophobicContact CG-CE 4.5Å; M89-M188 HydrophobicContact SD-CE 3.55Å; M89-M188 VanDerWaalsContact SD-CE 3.55Å
90Q92.7Very high84.5Confident113 Ų11346.7 Ų46.753%0.52826%0.256SS..Hα-helixtrans-64.1-41.4173-68.2-177.9-2.300111.5H86 P87 L88 K93 S94H86-Q90 PolarHBondContact CD2-NE2 2.62Å; H86-Q90 PolarHBondContact NE2-NE2 2.8Å; H86-Q90 WeakPolarHBondContact O-CG 3.44Å; H86-Q90 PolarHBondContact O-N 3.24Å; P87-Q90 WeakPolarHBondContact O-CB 3.14Å; P87-Q90 PolarHBondContact O-N 3.38Å; L88-Q90 VanDerWaalsContact C-N 3.3Å; L88-Q90 PolarHBondContact O-N 3.11Å; Q90-K93 PolarHBondContact O-N 3.07Å; Q90-S94 PolarHBondContact O-N 3.39Å
91M94.3Very high86.2Confident15 Ų1543 Ų437%0.07423%0.233CC..Hα-helixtrans-63.5-44.8175.6-64.7169.258.700111.3P87 L88 K93 S94 L95 Y124 L300 Q304 F453P87-M91 WeakPolarHBondContact O-CG 3.26Å; P87-M91 PolarHBondContact O-N 3.17Å; P87-M91 VanDerWaalsContact O-N 3.1Å; L88-M91 WeakPolarHBondContact O-CB 3.5Å; L88-M91 PolarHBondContact O-N 2.73Å; L88-M91 VanDerWaalsContact O-N 3.13Å; M91-K93 VanDerWaalsContact C-N 3.33Å; M91-K93 PolarHBondContact O-N 3.48Å; M91-S94 WeakPolarHBondContact O-CB 3.15Å; M91-S94 PolarHBondContact O-N 2.92Å; M91-S94 VanDerWaalsContact O-N 3.12Å; M91-S94 PolarHBondContact O-OG 3.42Å; M91-L95 PolarHBondContact O-N 3.36Å; M91-Y124 HydrophobicContact CE-CD1 3.37Å; M91-Y124 HydrophobicContact CE-CD2 4.49Å; M91-Y124 HydrophobicContact CE-CE1 3.17Å; M91-Y124 HydrophobicContact CE-CE2 4.34Å; M91-Y124 HydrophobicContact CE-CG 4.06Å; M91-Y124 HydrophobicContact CG-CE1 3.95Å; M91-Y124 HydrophobicContact SD-CE1 4.04Å; M91-L300 HydrophobicContact CB-CD2 4Å; M91-L300 HydrophobicContact CE-CD1 3.7Å; M91-L300 HydrophobicContact CE-CD2 4.13Å; M91-L300 HydrophobicContact CE-CG 4.21Å; M91-Q304 HydrophobicContact CE-CG 3.99Å; M91-F453 HydrophobicContact CE-CZ 4.43Å; M91-F453 HydrophobicContact SD-CE1 3.83Å; M91-F453 HydrophobicContact SD-CE2 4.42Å; M91-F453 HydrophobicContact SD-CZ 3.37Å; M91-F453 WeakPolarHBondContact SD-CZ 3.47Å
92V94.8Very high87.6Confident4 Ų444.1 Ų44.12%0.02423%0.233CC..Hα-helixtrans-56.8-46.6174.3167.60000111.1L88 M89 S94 L95 G97 W98 L101 M188 V297 I301L88-V92 WeakPolarHBondContact O-CG2 3.36Å; L88-V92 PolarHBondContact O-N 2.97Å; M89-V92 PolarHBondContact O-N 3.5Å; V92-S94 VanDerWaalsContact C-N 3.29Å; V92-S94 PolarHBondContact O-N 3.45Å; V92-L95 PolarHBondContact O-N 3.26Å; V92-G97 WeakPolarHBondContact O-CA 3.43Å; V92-G97 PolarHBondContact O-N 2.98Å; V92-W98 HydrophobicContact CG1-CB 3.78Å; V92-L101 HydrophobicContact CG1-CD1 4.31Å; V92-M188 HydrophobicContact CG2-CE 4.24Å; V92-V297 HydrophobicContact CB-CG1 4.36Å; V92-V297 HydrophobicContact CG1-CG1 3.96Å; V92-V297 HydrophobicContact CG2-CG1 3.81Å; V92-I301 HydrophobicContact CG2-CD1 4.21Å; V92-I301 HydrophobicContact CG2-CG1 4.22Å
93K93.5Very high88.4Confident167 Ų16739.7 Ų39.773%0.72621%0.211SC*.Hα-helixtrans-62.7-35.6177.5-173.2175.6179.3177.30112.4M89 Q90 M91 L95 G96M89-K93 WeakPolarHBondContact O-CB 3.35Å; M89-K93 PolarHBondContact O-N 2.99Å; Q90-K93 PolarHBondContact O-N 3.07Å; M91-K93 VanDerWaalsContact C-N 3.33Å; M91-K93 PolarHBondContact O-N 3.48Å; K93-L95 PolarHBondContact O-N 3.24Å; K93-G96 PolarHBondContact O-N 3.22Å; K93-G96 VanDerWaalsContact O-N 3.09Å
94S92.9Very high88.6Confident61 Ų6140 Ų4043%0.42722%0.216SC..Hα-helixtrans-63.9-20.5178.479.60000113.9Q90 M91 V92 Y124Q90-S94 PolarHBondContact O-N 3.39Å; M91-S94 WeakPolarHBondContact O-CB 3.15Å; M91-S94 PolarHBondContact O-N 2.92Å; M91-S94 VanDerWaalsContact O-N 3.12Å; M91-S94 PolarHBondContact O-OG 3.42Å; V92-S94 VanDerWaalsContact C-N 3.29Å; V92-S94 PolarHBondContact O-N 3.45Å; S94-Y124 PolarHBondContact OG-OH 2.64Å
95L94.8Very high89.2Confident9 Ų945 Ų455%0.04724%0.238CC..THydrogen-bonded Turntrans-96.57.3176.5-62.8178.4000113.6M91 V92 K93 F111 A116 L119 L120 V297 L300M91-L95 PolarHBondContact O-N 3.36Å; V92-L95 PolarHBondContact O-N 3.26Å; K93-L95 PolarHBondContact O-N 3.24Å; L95-F111 WeakPolarHBondContact O-CD2 3.33Å; L95-A116 HydrophobicContact CD2-CB 4.39Å; L95-L119 HydrophobicContact CD2-CB 4.05Å; L95-L119 HydrophobicContact CD2-CD1 4.34Å; L95-L120 HydrophobicContact CD1-CD2 3.53Å; L95-L120 HydrophobicContact CD1-CG 4.11Å; L95-L120 HydrophobicContact CD2-CD2 4.48Å; L95-L120 HydrophobicContact CD2-CG 4.41Å; L95-V297 HydrophobicContact CB-CG2 4.42Å; L95-V297 HydrophobicContact CD1-CG2 4.5Å; L95-L300 HydrophobicContact CD1-CD2 3.65Å
96G93.2Very high89.7Confident20 Ų2046.3 Ų46.321%0.20624%0.243CC..THydrogen-bonded Turntrans96.58.1-176.500000114.6K93 W106K93-G96 PolarHBondContact O-N 3.22Å; K93-G96 VanDerWaalsContact O-N 3.09Å; G96-W106 PolarHBondContact O-NE1 3.5Å; G96-W106 VanDerWaalsContact O-NE1 3.07Å
97G93.2Very high89.9Confident16 Ų1646 Ų4617%0.16524%0.24CC..  trans85.5168.7177.500000114.3V92V92-G97 WeakPolarHBondContact O-CA 3.43Å; V92-G97 PolarHBondContact O-N 2.98Å
98W95Very high90.1Very high4 Ų449.8 Ų49.82%0.01526%0.255CS..  trans-108.8115.6179.5-161.917.6000110.2V92 L100 L101 I181 L185 M188 N294 V297 W298 I301V92-W98 HydrophobicContact CG1-CB 3.78Å; W98-L100 HydrophobicContact CD2-CB 3.99Å; W98-L100 HydrophobicContact CG-CB 4.29Å; W98-L100 HydrophobicContact CH2-CD1 4.31Å; W98-L100 HydrophobicContact CZ2-CB 4.15Å; W98-L100 HydrophobicContact CZ2-CD1 3.46Å; W98-L100 VanDerWaalsContact CZ2-CD1 3.46Å; W98-L100 HydrophobicContact CZ2-CG 4.41Å; W98-L100 PolarHBondContact O-N 3.24Å; W98-L100 VanDerWaalsContact O-N 3.08Å; W98-L101 HydrophobicContact CB-CB 4.45Å; W98-L101 HydrophobicContact CB-CD1 3.95Å; W98-L101 HydrophobicContact CB-CG 4.12Å; W98-L101 HydrophobicContact CD2-CG 4.35Å; W98-L101 HydrophobicContact CE3-CD1 3.84Å; W98-L101 HydrophobicContact CE3-CD2 4.22Å; W98-L101 HydrophobicContact CE3-CG 3.65Å; W98-L101 HydrophobicContact CZ3-CG 4.44Å; W98-L101 PolarHBondContact O-N 3.29Å; W98-I181 HydrophobicContact CZ2-CG2 4.42Å; W98-L185 HydrophobicContact CE3-CD1 4.45Å; W98-L185 HydrophobicContact CH2-CB 4.26Å; W98-L185 HydrophobicContact CH2-CD1 4.29Å; W98-L185 HydrophobicContact CZ3-CB 4.49Å; W98-L185 HydrophobicContact CZ3-CD1 3.95Å; W98-M188 HydrophobicContact CE3-CE 4.47Å; W98-M188 HydrophobicContact CE3-SD 4.23Å; W98-M188 HydrophobicContact CZ3-SD 3.74Å; W98-N294 VanDerWaalsContact CD1-OD1 3.27Å; W98-N294 PolarHBondContact NE1-O 3.09Å; W98-N294 PolarHBondContact NE1-OD1 3.25Å; W98-V297 HydrophobicContact CB-CB 4.37Å; W98-V297 HydrophobicContact CB-CG1 3.74Å; W98-V297 HydrophobicContact CD2-CG1 4Å; W98-V297 HydrophobicContact CG-CB 4.06Å; W98-V297 HydrophobicContact CG-CG1 3.58Å; W98-W298 HydrophobicContact CH2-CE3 4.3Å; W98-W298 HydrophobicContact CZ2-CB 4.42Å; W98-W298 HydrophobicContact CZ2-CE3 4.29Å; W98-I301 HydrophobicContact CD2-CD1 3.91Å; W98-I301 HydrophobicContact CE3-CD1 3.43Å; W98-I301 VanDerWaalsContact CE3-CD1 3.43Å; W98-I301 HydrophobicContact CH2-CD1 3.85Å; W98-I301 HydrophobicContact CZ2-CD1 4.23Å; W98-I301 HydrophobicContact CZ3-CD1 3.43Å; W98-I301 VanDerWaalsContact CZ3-CD1 3.43Å
99P94.5Very high90.1Very high2 Ų256.7 Ų56.71%0.01329%0.288CS..G310 helixtrans-53.3-31.5178.7-23.225.6000114.1L101 D102 L103 W106 K290 A293 N294P99-L101 VanDerWaalsContact C-N 3.3Å; P99-L101 PolarHBondContact O-N 3.04Å; P99-D102 CarbonylContact O-C 3.16Å; P99-D102 PolarHBondContact O-N 2.91Å; P99-L103 WeakPolarHBondContact O-CA 3.29Å; P99-L103 PolarHBondContact O-N 3.34Å; P99-W106 HydrophobicContact CB-CB 4.45Å; P99-W106 HydrophobicContact CB-CD2 4.18Å; P99-W106 HydrophobicContact CB-CE3 4.49Å; P99-W106 HydrophobicContact CB-CG 4.15Å; P99-W106 HydrophobicContact CG-CD2 3.69Å; P99-W106 HydrophobicContact CG-CE3 4.12Å; P99-W106 HydrophobicContact CG-CG 3.97Å; P99-W106 HydrophobicContact CG-CH2 4.46Å; P99-W106 HydrophobicContact CG-CZ2 4.08Å; P99-W106 HydrophobicContact CG-CZ3 4.49Å; P99-K290 HydrophobicContact CB-CD 4.38Å; P99-K290 HydrophobicContact CB-CG 3.81Å; P99-K290 HydrophobicContact CG-CG 3.91Å; P99-A293 HydrophobicContact CG-CB 3.82Å; P99-N294 VanDerWaalsContact CB-OD1 3.3Å; P99-N294 WeakPolarHBondContact CB-OD1 3.31Å; P99-N294 WeakPolarHBondContact CD-OD1 3.44Å; P99-N294 WeakPolarHBondContact CG-OD1 3.03Å
100L93.9Very high90Very high0 Ų059.5 Ų59.50%030%0.304CS..G310 helixtrans-66.5-24.4176.9-78.9171.2000114.6W98 L103 I181 L185 T202 Q205 I206 I209 N294W98-L100 HydrophobicContact CD2-CB 3.99Å; W98-L100 HydrophobicContact CG-CB 4.29Å; W98-L100 HydrophobicContact CH2-CD1 4.31Å; W98-L100 HydrophobicContact CZ2-CB 4.15Å; W98-L100 HydrophobicContact CZ2-CD1 3.46Å; W98-L100 VanDerWaalsContact CZ2-CD1 3.46Å; W98-L100 HydrophobicContact CZ2-CG 4.41Å; W98-L100 PolarHBondContact O-N 3.24Å; W98-L100 VanDerWaalsContact O-N 3.08Å; L100-L103 HydrophobicContact CD2-CD2 4.44Å; L100-I181 HydrophobicContact CD1-CG2 4.47Å; L100-L185 HydrophobicContact CB-CD1 4Å; L100-L185 HydrophobicContact CB-CD2 4.17Å; L100-L185 HydrophobicContact CD2-CD2 4.14Å; L100-T202 HydrophobicContact CD2-CG2 4.14Å; L100-Q205 HydrophobicContact CD2-CB 3.71Å; L100-Q205 HydrophobicContact CG-CB 4.44Å; L100-I206 HydrophobicContact CD1-CG1 3.97Å; L100-I206 HydrophobicContact CD2-CG1 4.14Å; L100-I209 HydrophobicContact CD1-CD1 3.83Å; L100-N294 PolarHBondContact N-OD1 3.13Å
101L90.2Very high90.1Very high15 Ų1554.2 Ų54.28%0.07928%0.279CS..G310 helixtrans-83.3-21174.7-68.3171.2000112.6M89 V92 W98 P99 L185 M188 L189 L194M89-L101 HydrophobicContact CE-CD1 3.88Å; M89-L101 HydrophobicContact SD-CD1 3.66Å; V92-L101 HydrophobicContact CG1-CD1 4.31Å; W98-L101 HydrophobicContact CB-CB 4.45Å; W98-L101 HydrophobicContact CB-CD1 3.95Å; W98-L101 HydrophobicContact CB-CG 4.12Å; W98-L101 HydrophobicContact CD2-CG 4.35Å; W98-L101 HydrophobicContact CE3-CD1 3.84Å; W98-L101 HydrophobicContact CE3-CD2 4.22Å; W98-L101 HydrophobicContact CE3-CG 3.65Å; W98-L101 HydrophobicContact CZ3-CG 4.44Å; W98-L101 PolarHBondContact O-N 3.29Å; P99-L101 VanDerWaalsContact C-N 3.3Å; P99-L101 PolarHBondContact O-N 3.04Å; L101-L185 HydrophobicContact CD2-CD1 3.82Å; L101-L185 HydrophobicContact CG-CD1 4.43Å; L101-M188 HydrophobicContact CD1-CE 4.02Å; L101-M188 HydrophobicContact CD2-CB 3.88Å; L101-L189 HydrophobicContact CD2-CD2 3.98Å; L101-L189 HydrophobicContact CD2-CG 4.29Å; L101-L194 HydrophobicContact CB-CD1 4.39Å
102D84.5Confident90.2Very high67 Ų6757.2 Ų57.236%0.35829%0.293SS..  trans-14673.1-173.1-167.6-10.9000110.2P99 T104 E105 W106P99-D102 CarbonylContact O-C 3.16Å; P99-D102 PolarHBondContact O-N 2.91Å; D102-T104 PolarHBondContact O-N 2.9Å; D102-T104 VanDerWaalsContact O-N 3.09Å; D102-E105 WeakPolarHBondContact OD1-CA 3.23Å; D102-E105 WeakPolarHBondContact OD1-CB 3.41Å; D102-E105 PolarHBondContact OD1-N 2.85Å; D102-E105 WeakPolarHBondContact OD2-CB 3.43Å; D102-W106 VanDerWaalsContact O-CB 3.24Å; D102-W106 WeakPolarHBondContact O-CB 3.35Å; D102-W106 PolarHBondContact O-N 3.04Å
103L72.8Confident90.3Very high22 Ų2257.6 Ų57.612%0.11530%0.296CS..THydrogen-bonded Turntrans-60.8-23.7-170.8-66.7174000113.4P99 L100 V196P99-L103 WeakPolarHBondContact O-CA 3.29Å; P99-L103 PolarHBondContact O-N 3.34Å; L100-L103 HydrophobicContact CD2-CD2 4.44Å; L103-V196 HydrophobicContact CD1-CB 4.47Å; L103-V196 HydrophobicContact CD1-CG1 3.73Å; L103-V196 HydrophobicContact CD1-CG2 4.24Å
104T71.1Confident90.5Very high112 Ų11251.1 Ų51.169%0.68727%0.268SS*.THydrogen-bonded Turntrans-110.6-36-172.951.40000114D102D102-T104 PolarHBondContact O-N 2.9Å; D102-T104 VanDerWaalsContact O-N 3.09Å
105E80.2Confident90.7Very high129 Ų12949.9 Ų49.960%0.60326%0.258SS*.THydrogen-bonded Turntrans-100.5-5.7-175.5-51.7-69.3141.300113.3D102 K107D102-E105 WeakPolarHBondContact OD1-CA 3.23Å; D102-E105 WeakPolarHBondContact OD1-CB 3.41Å; D102-E105 PolarHBondContact OD1-N 2.85Å; D102-E105 WeakPolarHBondContact OD2-CB 3.43Å; E105-K107 WeakPolarHBondContact O-CG 3.35Å; E105-K107 PolarHBondContact O-N 3.16Å; E105-K107 VanDerWaalsContact O-N 3.16Å
106W91.3Very high90.8Very high32 Ų3249.6 Ų49.612%0.12126%0.256CS..  trans-61.9120.7172.7-177.187.5000111G96 P99 D102 E108 F111 K289 K290 A293G96-W106 PolarHBondContact O-NE1 3.5Å; G96-W106 VanDerWaalsContact O-NE1 3.07Å; P99-W106 HydrophobicContact CB-CB 4.45Å; P99-W106 HydrophobicContact CB-CD2 4.18Å; P99-W106 HydrophobicContact CB-CE3 4.49Å; P99-W106 HydrophobicContact CB-CG 4.15Å; P99-W106 HydrophobicContact CG-CD2 3.69Å; P99-W106 HydrophobicContact CG-CE3 4.12Å; P99-W106 HydrophobicContact CG-CG 3.97Å; P99-W106 HydrophobicContact CG-CH2 4.46Å; P99-W106 HydrophobicContact CG-CZ2 4.08Å; P99-W106 HydrophobicContact CG-CZ3 4.49Å; D102-W106 VanDerWaalsContact O-CB 3.24Å; D102-W106 WeakPolarHBondContact O-CB 3.35Å; D102-W106 PolarHBondContact O-N 3.04Å; W106-E108 HydrophobicContact CH2-CB 4.12Å; W106-E108 HydrophobicContact CH2-CG 4.33Å; W106-E108 HydrophobicContact CZ3-CB 3.77Å; W106-E108 HydrophobicContact CZ3-CG 4.33Å; W106-F111 HydrophobicContact CH2-CB 4.09Å; W106-F111 HydrophobicContact CH2-CD1 4.44Å; W106-F111 HydrophobicContact CH2-CG 4.47Å; W106-F111 HydrophobicContact CZ2-CB 3.45Å; W106-F111 VanDerWaalsContact CZ2-CB 3.45Å; W106-F111 HydrophobicContact CZ2-CD1 4.21Å; W106-F111 AromaticContact CZ2-CG 3.85Å; W106-F111 HydrophobicContact CZ2-CG 3.85Å; W106-K289 HydrophobicContact CH2-CB 4.48Å; W106-K290 HydrophobicContact CH2-CB 4.48Å; W106-K290 HydrophobicContact CZ3-CB 4.07Å; W106-K290 HydrophobicContact CZ3-CG 4.38Å; W106-A293 HydrophobicContact CH2-CB 4.11Å; W106-A293 HydrophobicContact CZ2-CB 3.5Å; W106-A293 VanDerWaalsContact CZ2-CB 3.5Å
107K91.7Very high91.1Very high110 Ų11048.7 Ų48.748%0.47825%0.247SC..  trans-102.4123-177.6-55.7-168.1-179.9-177.80111.3E105 E109 N110E105-K107 WeakPolarHBondContact O-CG 3.35Å; E105-K107 PolarHBondContact O-N 3.16Å; E105-K107 VanDerWaalsContact O-N 3.16Å; K107-E109 HydrophobicContact CB-CG 3.79Å; K107-E109 VanDerWaalsContact CD-OE1 3.32Å; K107-E109 WeakPolarHBondContact CD-OE1 3.49Å; K107-E109 PolarHBondContact O-N 3.21Å; K107-N110 WeakPolarHBondContact O-CB 3.04Å; K107-N110 PolarHBondContact O-N 2.85Å
108E92.4Very high91.3Very high101 Ų10148 Ų4847%0.47224%0.239SC..G310 helixtrans-59.4-29.9-179.6-177.7168.3166.800113.8W106 N110 F111 K289W106-E108 HydrophobicContact CH2-CB 4.12Å; W106-E108 HydrophobicContact CH2-CG 4.33Å; W106-E108 HydrophobicContact CZ3-CB 3.77Å; W106-E108 HydrophobicContact CZ3-CG 4.33Å; E108-N110 PolarHBondContact O-N 3.2Å; E108-F111 PolarHBondContact O-N 3.45Å; E108-K289 HydrophobicContact CG-CB 3.77Å; E108-K289 HydrophobicContact CG-CD 3.58Å; E108-K289 HydrophobicContact CG-CG 4.2Å; E108-K289 WeakPolarHBondContact OE1-CB 3.37Å; E108-K289 WeakPolarHBondContact OE1-CD 3.25Å; E108-K289 WeakPolarHBondContact OE1-CG 3.43Å
109E92.4Very high91.4Very high146 Ų14649.6 Ų49.668%0.68225%0.248SC*.G310 helixtrans-64-23.717646.9179.4-165.900114K107 F111K107-E109 HydrophobicContact CB-CG 3.79Å; K107-E109 VanDerWaalsContact CD-OE1 3.32Å; K107-E109 WeakPolarHBondContact CD-OE1 3.49Å; K107-E109 PolarHBondContact O-N 3.21Å; E109-F111 VanDerWaalsContact C-N 3.27Å; E109-F111 PolarHBondContact O-N 3.31Å
110N90.4Very high91.5Very high105 Ų10549.5 Ų49.556%0.56125%0.248SC*.G310 helixtrans-84.1-3.4178.2-66.3-24.6000113.1K107 E108K107-N110 WeakPolarHBondContact O-CB 3.04Å; K107-N110 PolarHBondContact O-N 2.85Å; E108-N110 PolarHBondContact O-N 3.2Å
111F95.4Very high91.6Very high1 Ų149.9 Ų49.90%0.00425%0.249CC..  trans-118.1118.9-175.2-179.9-103.5000111.7L95 W106 E108 E109 P113 A116 K289 L292 A293 L296L95-F111 WeakPolarHBondContact O-CD2 3.33Å; W106-F111 HydrophobicContact CH2-CB 4.09Å; W106-F111 HydrophobicContact CH2-CD1 4.44Å; W106-F111 HydrophobicContact CH2-CG 4.47Å; W106-F111 HydrophobicContact CZ2-CB 3.45Å; W106-F111 VanDerWaalsContact CZ2-CB 3.45Å; W106-F111 HydrophobicContact CZ2-CD1 4.21Å; W106-F111 AromaticContact CZ2-CG 3.85Å; W106-F111 HydrophobicContact CZ2-CG 3.85Å; E108-F111 PolarHBondContact O-N 3.45Å; E109-F111 VanDerWaalsContact C-N 3.27Å; E109-F111 PolarHBondContact O-N 3.31Å; F111-P113 HydrophobicContact CD1-CG 4.17Å; F111-P113 HydrophobicContact CE1-CB 4.12Å; F111-P113 HydrophobicContact CE1-CG 3.7Å; F111-P113 HydrophobicContact CZ-CB 4.44Å; F111-P113 HydrophobicContact CZ-CG 4.48Å; F111-A116 HydrophobicContact CE2-CB 3.81Å; F111-A116 HydrophobicContact CZ-CB 4.32Å; F111-K289 HydrophobicContact CD1-CB 4.17Å; F111-L292 HydrophobicContact CE1-CB 3.91Å; F111-L292 HydrophobicContact CZ-CB 4.28Å; F111-A293 HydrophobicContact CD1-CB 3.89Å; F111-A293 HydrophobicContact CD2-CB 3.85Å; F111-A293 HydrophobicContact CE1-CB 3.77Å; F111-A293 HydrophobicContact CE2-CB 3.76Å; F111-A293 HydrophobicContact CG-CB 3.92Å; F111-A293 HydrophobicContact CZ-CB 3.7Å; F111-L296 HydrophobicContact CZ-CD1 3.99Å
112E96.1Very high91.8Very high79 Ų7950.5 Ų50.537%0.36925%0.25SS..  trans-113.4106.4174-65.2-164.6134.800109E114 T115 A116 K252E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 2.81Å; E112-T115 PolarHBondContact O-N 2.98Å; E112-T115 PolarHBondContact OE2-OG1 2.78Å; E112-A116 PolarHBondContact O-N 2.67Å; E112-K252 IonicContact OE1-NZ 2.8Å; E112-K252 PolarHBondContact OE1-NZ 3.3Å
113P96.6Very high92.3Very high12 Ų1250 Ų508%0.07825%0.247CC..Hα-helixtrans-54.8-45.8-175-23.529.8000113.4F111 A116 I117 K289 L292F111-P113 HydrophobicContact CD1-CG 4.17Å; F111-P113 HydrophobicContact CE1-CB 4.12Å; F111-P113 HydrophobicContact CE1-CG 3.7Å; F111-P113 HydrophobicContact CZ-CB 4.44Å; F111-P113 HydrophobicContact CZ-CG 4.48Å; P113-A116 PolarHBondContact O-N 2.72Å; P113-I117 WeakPolarHBondContact O-CD1 3.46Å; P113-I117 WeakPolarHBondContact O-CG1 3.19Å; P113-I117 PolarHBondContact O-N 3.01Å; P113-K289 HydrophobicContact CG-CG 4.33Å; P113-L292 HydrophobicContact CB-CD1 4.08Å; P113-L292 HydrophobicContact CG-CD1 3.9Å
114E97.3Very high93.3Very high31 Ų3149.7 Ų49.715%0.14525%0.245CC..Hα-helixtrans-65.7-42.3-176.8-62.189.1165.800111.9E112 I117 G118 F248 D249 K252E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 2.81Å; E114-I117 PolarHBondContact O-N 2.69Å; E114-G118 PolarHBondContact O-N 3.34Å; E114-G118 VanDerWaalsContact O-N 3.12Å; E114-F248 HydrophobicContact CB-CE2 4.38Å; E114-F248 HydrophobicContact CB-CZ 4.21Å; E114-F248 HydrophobicContact CG-CD1 4.32Å; E114-F248 HydrophobicContact CG-CD2 3.79Å; E114-F248 HydrophobicContact CG-CE1 4.2Å; E114-F248 HydrophobicContact CG-CE2 3.66Å; E114-F248 HydrophobicContact CG-CG 4.14Å; E114-F248 HydrophobicContact CG-CZ 3.88Å; E114-D249 HydrophobicContact CB-CB 4.48Å; E114-D249 HydrophobicContact CG-CB 3.99Å; E114-D249 PolarHBondContact OE1-N 3.43Å; E114-K252 HydrophobicContact CB-CB 4.23Å
115T97.5Very high94.3Very high34 Ų3445.2 Ų45.221%0.20922%0.218CC..Hα-helixtrans-62-46.3173.3-56.90000110.2E112 I117 G118 L119E112-T115 PolarHBondContact O-N 2.98Å; E112-T115 PolarHBondContact OE2-OG1 2.78Å; T115-I117 PolarHBondContact O-N 2.87Å; T115-G118 PolarHBondContact O-N 3.35Å; T115-L119 HydrophobicContact CG2-CD1 3.87Å; T115-L119 HydrophobicContact CG2-CG 4.23Å; T115-L119 WeakPolarHBondContact O-CB 2.93Å; T115-L119 VanDerWaalsContact O-CG 3.25Å; T115-L119 WeakPolarHBondContact O-CG 3.41Å; T115-L119 PolarHBondContact O-N 3.26Å
116A97.9Very high95Very high3 Ų339.4 Ų39.43%0.02519%0.191CC..Hα-helixtrans-61.6-44178.300000112.2L95 F111 E112 P113 G118 L119 L120 L296L95-A116 HydrophobicContact CD2-CB 4.39Å; F111-A116 HydrophobicContact CE2-CB 3.81Å; F111-A116 HydrophobicContact CZ-CB 4.32Å; E112-A116 PolarHBondContact O-N 2.67Å; P113-A116 PolarHBondContact O-N 2.72Å; A116-G118 PolarHBondContact O-N 2.86Å; A116-L119 PolarHBondContact O-N 2.89Å; A116-L120 WeakPolarHBondContact O-CB 3.38Å; A116-L120 WeakPolarHBondContact O-CG 3.41Å; A116-L120 PolarHBondContact O-N 3.1Å; A116-L296 HydrophobicContact CB-CD1 3.86Å
117I97.9Very high95.1Very high2 Ų238.8 Ų38.81%0.0119%0.191CC..Hα-helixtrans-60.1-43.8178.2-66.9159.7000111.1P113 E114 T115 L129 V130 F248 Y253 L296P113-I117 WeakPolarHBondContact O-CD1 3.46Å; P113-I117 WeakPolarHBondContact O-CG1 3.19Å; P113-I117 PolarHBondContact O-N 3.01Å; E114-I117 PolarHBondContact O-N 2.69Å; T115-I117 PolarHBondContact O-N 2.87Å; I117-L129 HydrophobicContact CD1-CB 4.32Å; I117-L129 HydrophobicContact CD1-CD1 3.73Å; I117-L129 HydrophobicContact CG1-CD1 4.27Å; I117-V130 HydrophobicContact CG2-CB 4.47Å; I117-F248 HydrophobicContact CD1-CE2 3.68Å; I117-F248 HydrophobicContact CD1-CZ 4.12Å; I117-Y253 HydrophobicContact CG2-CD2 4.24Å; I117-Y253 HydrophobicContact CG2-CE2 3.85Å; I117-L296 HydrophobicContact CD1-CD1 4.42Å; I117-L296 HydrophobicContact CG1-CD1 3.65Å; I117-L296 HydrophobicContact CG1-CD2 3.99Å
118G97.3Very high95.4Very high0 Ų033.5 Ų33.50%017%0.168CC..Hα-helixtrans-74.6-36.8179.500000113.9E114 T115 A116 L120 W121 R122 S256E114-G118 PolarHBondContact O-N 3.34Å; E114-G118 VanDerWaalsContact O-N 3.12Å; T115-G118 PolarHBondContact O-N 3.35Å; A116-G118 PolarHBondContact O-N 2.86Å; G118-L120 PolarHBondContact O-N 3.36Å; G118-W121 PolarHBondContact O-N 3.21Å; G118-R122 VanDerWaalsContact O-CB 3.26Å; G118-R122 WeakPolarHBondContact O-CB 3.5Å; G118-R122 PolarHBondContact O-N 3.3Å; G118-S256 VanDerWaalsContact CA-OG 3.24Å; G118-S256 WeakPolarHBondContact CA-OG 3.25Å
119L97.3Very high95.6Very high39 Ų3928.9 Ų28.920%0.20415%0.146CC..Hα-helixtrans-63.9-38.7174-67.9175.7000112.2L95 T115 A116 W121 R122 I123L95-L119 HydrophobicContact CD2-CB 4.05Å; L95-L119 HydrophobicContact CD2-CD1 4.34Å; T115-L119 HydrophobicContact CG2-CD1 3.87Å; T115-L119 HydrophobicContact CG2-CG 4.23Å; T115-L119 WeakPolarHBondContact O-CB 2.93Å; T115-L119 VanDerWaalsContact O-CG 3.25Å; T115-L119 WeakPolarHBondContact O-CG 3.41Å; T115-L119 PolarHBondContact O-N 3.26Å; A116-L119 PolarHBondContact O-N 2.89Å; L119-W121 VanDerWaalsContact C-N 3.29Å; L119-W121 PolarHBondContact O-N 3.47Å; L119-R122 PolarHBondContact O-N 3.19Å; L119-I123 HydrophobicContact CB-CD1 4.42Å; L119-I123 HydrophobicContact CD2-CD1 4.03Å; L119-I123 WeakPolarHBondContact O-CB 3.4Å; L119-I123 PolarHBondContact O-N 2.93Å
120L97.4Very high95.8Very high0 Ų022 Ų220%011%0.114CC..Hα-helixtrans-56-44177.3-78.8173.5000112.1L95 A116 G118 Y124 S125 L126 T128 L296 L300L95-L120 HydrophobicContact CD1-CD2 3.53Å; L95-L120 HydrophobicContact CD1-CG 4.11Å; L95-L120 HydrophobicContact CD2-CD2 4.48Å; L95-L120 HydrophobicContact CD2-CG 4.41Å; A116-L120 WeakPolarHBondContact O-CB 3.38Å; A116-L120 WeakPolarHBondContact O-CG 3.41Å; A116-L120 PolarHBondContact O-N 3.1Å; G118-L120 PolarHBondContact O-N 3.36Å; L120-Y124 HydrophobicContact CD2-CD2 4.19Å; L120-Y124 CarbonylContact O-C 3.45Å; L120-Y124 WeakPolarHBondContact O-CA 3.46Å; L120-Y124 WeakPolarHBondContact O-CB 3.13Å; L120-Y124 PolarHBondContact O-N 2.93Å; L120-S125 PolarHBondContact O-N 2.95Å; L120-L126 CarbonylContact C-O 3.59Å; L120-L126 HydrophobicContact CD2-CD2 4.25Å; L120-L126 PolarHBondContact O-N 2.88Å; L120-T128 HydrophobicContact CD1-CG2 3.76Å; L120-L296 HydrophobicContact CD1-CB 3.99Å; L120-L296 HydrophobicContact CD1-CD2 3.98Å; L120-L296 HydrophobicContact CD1-CG 4.42Å; L120-L300 HydrophobicContact CD2-CB 3.82Å; L120-L300 HydrophobicContact CD2-CD1 4.06Å; L120-L300 HydrophobicContact CD2-CD2 4.35Å; L120-L300 HydrophobicContact CD2-CG 4.3Å
121W95.6Very high96.1Very high8 Ų817.2 Ų17.23%0.039%0.09CC..Hα-helixtrans-73.1-49.7173.4176.877.4000112.2G118 L119 I123 S125 L126 P132 I134 M257 L259 I464 V468G118-W121 PolarHBondContact O-N 3.21Å; L119-W121 VanDerWaalsContact C-N 3.29Å; L119-W121 PolarHBondContact O-N 3.47Å; W121-I123 VanDerWaalsContact C-N 3.3Å; W121-I123 PolarHBondContact O-N 3.44Å; W121-S125 VanDerWaalsContact O-CA 3.23Å; W121-S125 WeakPolarHBondContact O-CA 3.38Å; W121-S125 PolarHBondContact O-N 3.32Å; W121-L126 PolarHBondContact N-O 3.11Å; W121-P132 HydrophobicContact CB-CG 3.98Å; W121-P132 VanDerWaalsContact CD1-CG 3.48Å; W121-P132 HydrophobicContact CD2-CB 4.21Å; W121-P132 HydrophobicContact CD2-CG 3.3Å; W121-P132 VanDerWaalsContact CE2-CG 3.48Å; W121-P132 HydrophobicContact CE3-CG 3.91Å; W121-P132 HydrophobicContact CG-CG 3.3Å; W121-P132 HydrophobicContact CZ2-CB 4.29Å; W121-P132 HydrophobicContact CZ2-CG 4.18Å; W121-P132 PolarHBondContact NE1-O 3.3Å; W121-I134 HydrophobicContact CH2-CD1 4.23Å; W121-M257 HydrophobicContact CE3-CB 4.37Å; W121-M257 HydrophobicContact CE3-CG 3.95Å; W121-M257 HydrophobicContact CE3-SD 3.78Å; W121-M257 HydrophobicContact CZ3-CB 4.22Å; W121-M257 HydrophobicContact CZ3-CG 4.27Å; W121-M257 HydrophobicContact CZ3-SD 4.03Å; W121-L259 HydrophobicContact CZ3-CD1 4.35Å; W121-I464 HydrophobicContact CH2-CG2 4.32Å; W121-I464 HydrophobicContact CZ2-CD1 4.35Å; W121-I464 HydrophobicContact CZ2-CG2 4.41Å; W121-I464 HydrophobicContact CZ3-CG2 4.46Å; W121-V468 HydrophobicContact CH2-CG2 3.8Å; W121-V468 HydrophobicContact CZ3-CG2 4.21Å
122R95.6Very high96.1Very high27 Ų2717.7 Ų17.710%0.1029%0.092CC..Hα-helixtrans-64.7-32.4-169.6-177.757.9-176.8106-7.7114G118 L119 M257 T258 I464 D465G118-R122 VanDerWaalsContact O-CB 3.26Å; G118-R122 WeakPolarHBondContact O-CB 3.5Å; G118-R122 PolarHBondContact O-N 3.3Å; L119-R122 PolarHBondContact O-N 3.19Å; R122-M257 VanDerWaalsContact CD-O 3.26Å; R122-M257 WeakPolarHBondContact CD-O 3.47Å; R122-M257 PolarHBondContact NE-O 2.85Å; R122-T258 PolarHBondContact NE-OG1 3.28Å; R122-I464 WeakPolarHBondContact O-CG2 3.36Å; R122-D465 IonicContact CZ-OD1 2.67Å; R122-D465 IonicContact NH1-OD1 2.81Å; R122-D465 PolarHBondContact NH1-OD1 2.85Å; R122-D465 IonicContact NH2-OD1 2.87Å; R122-D465 PolarHBondContact NH2-OD1 3.33Å
123I94.2Very high95.9Very high56 Ų5615.5 Ų15.529%0.2879%0.088SC..Hα-helixtrans-103.1-41.1-177-53.5-178.7000111.4L119 W121L119-I123 HydrophobicContact CB-CD1 4.42Å; L119-I123 HydrophobicContact CD2-CD1 4.03Å; L119-I123 WeakPolarHBondContact O-CB 3.4Å; L119-I123 PolarHBondContact O-N 2.93Å; W121-I123 VanDerWaalsContact C-N 3.3Å; W121-I123 PolarHBondContact O-N 3.44Å
124Y92.9Very high95.7Very high17 Ų1715.5 Ų15.57%0.0679%0.087CC..Hα-helixtrans-1135.9-169.7-47.5-63.2000113.5M91 S94 L120 L126 L300 N457 I460M91-Y124 HydrophobicContact CE-CD1 3.37Å; M91-Y124 HydrophobicContact CE-CD2 4.49Å; M91-Y124 HydrophobicContact CE-CE1 3.17Å; M91-Y124 HydrophobicContact CE-CE2 4.34Å; M91-Y124 HydrophobicContact CE-CG 4.06Å; M91-Y124 HydrophobicContact CG-CE1 3.95Å; M91-Y124 HydrophobicContact SD-CE1 4.04Å; S94-Y124 PolarHBondContact OG-OH 2.64Å; L120-Y124 HydrophobicContact CD2-CD2 4.19Å; L120-Y124 CarbonylContact O-C 3.45Å; L120-Y124 WeakPolarHBondContact O-CA 3.46Å; L120-Y124 WeakPolarHBondContact O-CB 3.13Å; L120-Y124 PolarHBondContact O-N 2.93Å; Y124-L126 PolarHBondContact O-N 3.03Å; Y124-L126 VanDerWaalsContact O-N 3.1Å; Y124-L300 HydrophobicContact CD1-CD1 4.45Å; Y124-L300 HydrophobicContact CD2-CD1 3.72Å; Y124-L300 HydrophobicContact CD2-CD2 4.48Å; Y124-L300 HydrophobicContact CE2-CD1 4.27Å; Y124-L300 HydrophobicContact CE2-CD2 4.26Å; Y124-L300 HydrophobicContact CG-CD1 3.82Å; Y124-N457 WeakPolarHBondContact CD1-OD1 3.4Å; Y124-I460 VanDerWaalsContact C-CG2 3.41Å
125S93.5Very high95.5Very high18 Ų1817.1 Ų17.113%0.12610%0.096CC..  trans49.935.1-176.8-176.20000112.8L120 W121 P127 R347 I460L120-S125 PolarHBondContact O-N 2.95Å; W121-S125 VanDerWaalsContact O-CA 3.23Å; W121-S125 WeakPolarHBondContact O-CA 3.38Å; W121-S125 PolarHBondContact O-N 3.32Å; S125-P127 WeakPolarHBondContact O-CD 3.48Å; S125-R347 PolarHBondContact O-NH2 3.48Å; S125-I460 VanDerWaalsContact CB-CG2 3.45Å
126L94.3Very high95.3Very high7 Ų715.5 Ų15.54%0.0379%0.086CC..  trans-109.988.9-177.7-177.357.7000110.3L120 W121 Y124 T128 R299 L300 D303L120-L126 CarbonylContact C-O 3.59Å; L120-L126 HydrophobicContact CD2-CD2 4.25Å; L120-L126 PolarHBondContact O-N 2.88Å; W121-L126 PolarHBondContact N-O 3.11Å; Y124-L126 PolarHBondContact O-N 3.03Å; Y124-L126 VanDerWaalsContact O-N 3.1Å; L126-T128 HydrophobicContact CG-CG2 4.25Å; L126-R299 HydrophobicContact CD2-CB 4.32Å; L126-R299 WeakPolarHBondContact CD2-O 3.37Å; L126-L300 HydrophobicContact CD2-CB 4.3Å; L126-L300 HydrophobicContact CD2-CD1 4.35Å; L126-D303 HydrophobicContact CD1-CB 4.07Å; L126-D303 HydrophobicContact CD2-CB 4Å
127P94.2Very high95.1Very high18 Ų1815.9 Ų15.912%0.1179%0.087CC..  trans-63.3138.7168.528.5-34000109.8S125 A131 F152S125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-A131 HydrophobicContact CB-CB 3.8Å; P127-F152 HydrophobicContact CB-CB 4.32Å; P127-F152 HydrophobicContact CB-CG 4.28Å; P127-F152 HydrophobicContact CG-CB 4.07Å; P127-F152 HydrophobicContact CG-CD1 3.61Å; P127-F152 HydrophobicContact CG-CE1 4.17Å; P127-F152 HydrophobicContact CG-CG 3.83Å
128T96.6Very high94.9Very high0 Ų016.6 Ų16.60%09%0.09CC..  trans-123.9-94.1178.6530000110.8L120 L126 A151 F152 L296 R299L120-T128 HydrophobicContact CD1-CG2 3.76Å; L126-T128 HydrophobicContact CG-CG2 4.25Å; T128-A151 CarbonylContact O-C 3.54Å; T128-A151 WeakPolarHBondContact O-CA 3.45Å; T128-A151 VanDerWaalsContact O-CB 3.31Å; T128-A151 WeakPolarHBondContact O-CB 3.35Å; T128-F152 PolarHBondContact O-N 2.96Å; T128-L296 HydrophobicContact CG2-CD2 4.09Å; T128-R299 HydrophobicContact CG2-CB 4.09Å; T128-R299 HydrophobicContact CG2-CG 4.34Å
129L97.2Very high94.8Very high3 Ų321.4 Ų21.42%0.01611%0.108CC..SBendtrans-85.6-27.1-177-63.6169.8000112.7I117 F212 V216 Y276 M280 L284 Y295 L296I117-L129 HydrophobicContact CD1-CB 4.32Å; I117-L129 HydrophobicContact CD1-CD1 3.73Å; I117-L129 HydrophobicContact CG1-CD1 4.27Å; L129-F212 HydrophobicContact CD1-CZ 4.37Å; L129-F212 HydrophobicContact CD2-CE1 4.1Å; L129-F212 HydrophobicContact CD2-CZ 4.23Å; L129-V216 HydrophobicContact CD2-CB 4.5Å; L129-V216 HydrophobicContact CD2-CG1 3.99Å; L129-V216 HydrophobicContact CD2-CG2 3.63Å; L129-Y276 WeakPolarHBondContact O-CE1 3.45Å; L129-Y276 PolarHBondContact O-OH 2.03Å; L129-M280 HydrophobicContact CB-SD 4.15Å; L129-L284 HydrophobicContact CD1-CD1 4.35Å; L129-L284 HydrophobicContact CD1-CD2 3.75Å; L129-Y295 HydrophobicContact CD2-CE1 3.96Å; L129-Y295 HydrophobicContact CG-CE1 4.12Å; L129-L296 HydrophobicContact CD1-CD2 4.34Å
130V97.1Very high94.6Very high1 Ų122.9 Ų22.91%0.00612%0.116CC..SBendtrans-121.1125.5168.7179.20000106.5I117 P132 L148 F248 W250 Y253 F277 M280I117-V130 HydrophobicContact CG2-CB 4.47Å; V130-P132 WeakPolarHBondContact O-CD 3Å; V130-L148 HydrophobicContact CG1-CB 4.27Å; V130-L148 HydrophobicContact CG1-CD2 3.87Å; V130-L148 HydrophobicContact CG1-CG 4.48Å; V130-F248 HydrophobicContact CG2-CZ 4.36Å; V130-W250 HydrophobicContact CG2-CH2 4.5Å; V130-Y253 HydrophobicContact CG1-CE1 4.12Å; V130-Y253 VanDerWaalsContact CG1-OH 3.26Å; V130-Y253 WeakPolarHBondContact CG1-OH 3.11Å; V130-F277 HydrophobicContact CG1-CE1 4.09Å; V130-F277 HydrophobicContact CG2-CE1 4.26Å; V130-M280 HydrophobicContact CG2-CE 3.75Å; V130-M280 HydrophobicContact CG2-SD 3.73Å
131A95.5Very high94.4Very high6 Ų623.1 Ų23.15%0.0512%0.118CC..EExtended strand (participates in β ladder)trans-103.293.4179.200000110.3P127 D149 Q150 F152P127-A131 HydrophobicContact CB-CB 3.8Å; A131-D149 HydrophobicContact CB-CB 4.21Å; A131-D149 PolarHBondContact N-O 3.47Å; A131-D149 PolarHBondContact O-N 2.93Å; A131-Q150 VanDerWaalsContact CB-O 3.28Å; A131-Q150 WeakPolarHBondContact CB-O 3.42Å; A131-F152 HydrophobicContact CB-CD2 3.6Å; A131-F152 HydrophobicContact CB-CE2 3.76Å; A131-F152 HydrophobicContact CB-CG 4.41Å
132P95.2Very high94.3Very high10 Ų1025.5 Ų25.57%0.06514%0.136CC..EExtended strand (participates in β ladder)trans-75.8143.5175.630.3-35.5000111.6W121 V130 L146 Y147 L148 M257W121-P132 HydrophobicContact CB-CG 3.98Å; W121-P132 VanDerWaalsContact CD1-CG 3.48Å; W121-P132 HydrophobicContact CD2-CB 4.21Å; W121-P132 HydrophobicContact CD2-CG 3.3Å; W121-P132 VanDerWaalsContact CE2-CG 3.48Å; W121-P132 HydrophobicContact CE3-CG 3.91Å; W121-P132 HydrophobicContact CG-CG 3.3Å; W121-P132 HydrophobicContact CZ2-CB 4.29Å; W121-P132 HydrophobicContact CZ2-CG 4.18Å; W121-P132 PolarHBondContact NE1-O 3.3Å; V130-P132 WeakPolarHBondContact O-CD 3Å; P132-L146 HydrophobicContact CB-CD1 4.08Å; P132-Y147 CarbonylContact C-O 3.58Å; P132-Y147 VanDerWaalsContact CA-O 3.27Å; P132-Y147 WeakPolarHBondContact CA-O 3.48Å; P132-L148 HydrophobicContact CB-CD2 3.98Å; P132-M257 HydrophobicContact CB-SD 4.46Å; P132-M257 HydrophobicContact CG-SD 4.3Å
133A92.9Very high94.2Very high33 Ų3329.1 Ų29.127%0.27315%0.151SC..EExtended strand (participates in β ladder)trans-142.9141.6173.700000110.3M135 Y147A133-M135 HydrophobicContact CB-CE 3.99Å; A133-Y147 PolarHBondContact N-O 2.84Å; A133-Y147 PolarHBondContact O-N 3.46Å
134I93.2Very high94.1Very high12 Ų1228.2 Ų28.26%0.06214%0.144CC..EExtended strand (participates in β ladder)trans-113.3110.7175.8-60.8173.2000107.6W121 Y144 L146 L467 V468 L471W121-I134 HydrophobicContact CH2-CD1 4.23Å; I134-Y144 HydrophobicContact CG2-CD1 3.98Å; I134-Y144 HydrophobicContact CG2-CG 4.4Å; I134-L146 HydrophobicContact CG1-CD1 3.97Å; I134-L467 HydrophobicContact CB-CD1 3.82Å; I134-L467 HydrophobicContact CB-CD2 4.42Å; I134-L467 HydrophobicContact CB-CG 3.85Å; I134-L467 HydrophobicContact CD1-CG 4.2Å; I134-L467 WeakPolarHBondContact CD1-O 3.29Å; I134-L467 HydrophobicContact CG1-CG 4.39Å; I134-L467 HydrophobicContact CG2-CD1 4.24Å; I134-L467 WeakPolarHBondContact O-CD1 3.46Å; I134-V468 HydrophobicContact CD1-CB 4.5Å; I134-V468 HydrophobicContact CD1-CG2 4.11Å; I134-L471 HydrophobicContact CD1-CB 4.41Å; I134-L471 HydrophobicContact CD1-CD1 4.47Å; I134-L471 HydrophobicContact CG1-CD1 4.36Å; I134-L471 HydrophobicContact CG2-CB 4.49Å; I134-L471 HydrophobicContact CG2-CD1 4.08Å
135M91.4Very high94.2Very high66 Ų6627.7 Ų27.733%0.32514%0.142SC..EExtended strand (participates in β ladder)trans-145.9175.8-177.361.5178.860.200109.8A133 Y144 I145 Y147 I494A133-M135 HydrophobicContact CB-CE 3.99Å; M135-Y144 WeakPolarHBondContact O-CA 2.99Å; M135-I145 PolarHBondContact N-O 3.12Å; M135-I145 PolarHBondContact O-N 3.46Å; M135-Y147 HydrophobicContact CG-CD2 3.35Å; M135-Y147 HydrophobicContact CG-CE2 3.32Å; M135-Y147 HydrophobicContact CG-CG 4.17Å; M135-Y147 HydrophobicContact SD-CD2 4.04Å; M135-Y147 HydrophobicContact SD-CE2 4.02Å; M135-Y147 HydrophobicContact SD-CG 4.32Å; M135-I494 HydrophobicContact SD-CD1 4.15Å
136A93.2Very high94.3Very high0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-63.2142.8179.100000111.3K138 Y143 Y147 F475 I494A136-K138 PolarHBondContact O-N 3.23Å; A136-Y143 CarbonylContact C-O 3.56Å; A136-Y143 VanDerWaalsContact CA-O 3.29Å; A136-Y143 WeakPolarHBondContact CA-O 3.49Å; A136-Y147 PolarHBondContact O-OH 3.44Å; A136-F475 HydrophobicContact CB-CB 3.9Å; A136-F475 HydrophobicContact CB-CD1 3.58Å; A136-F475 HydrophobicContact CB-CD2 3.47Å; A136-F475 VanDerWaalsContact CB-CD2 3.47Å; A136-F475 HydrophobicContact CB-CE1 3.84Å; A136-F475 HydrophobicContact CB-CE2 3.79Å; A136-F475 HydrophobicContact CB-CG 3.37Å; A136-F475 HydrophobicContact CB-CZ 3.95Å; A136-I494 HydrophobicContact CB-CG2 3.32Å
137D94.4Very high94.4Very high11 Ų1127 Ų276%0.05914%0.136CC..EExtended strand (participates in β ladder)trans-62.2116.1174179.8-14.8000109.4W139 N140 S141 Y143 I145 K235D137-W139 PolarHBondContact O-N 2.92Å; D137-W139 VanDerWaalsContact O-N 3.12Å; D137-W139 PolarHBondContact OD1-N 2.77Å; D137-N140 WeakPolarHBondContact CB-O 2.85Å; D137-N140 CarbonylContact O-C 3.23Å; D137-N140 WeakPolarHBondContact O-CA 3.46Å; D137-N140 PolarHBondContact O-N 3.48Å; D137-S141 VanDerWaalsContact O-CA 3.27Å; D137-S141 WeakPolarHBondContact O-CA 3.36Å; D137-S141 PolarHBondContact O-N 2.88Å; D137-Y143 PolarHBondContact N-O 3.05Å; D137-I145 HydrophobicContact CB-CB 4.16Å; D137-I145 HydrophobicContact CB-CG2 3.68Å; D137-K235 IonicContact OD2-NZ 3.7Å; D137-K235 PolarHBondContact OD2-NZ 2.82Å
138K94.4Very high94.5Very high16 Ų1626.2 Ų26.27%0.0713%0.131CC..THydrogen-bonded Turntrans-59.5-23.6-178.7-75.7170.8176.1-164.20113.2A136 Y147 E229 L233 I494 Y542 N547 L548A136-K138 PolarHBondContact O-N 3.23Å; K138-Y147 WeakPolarHBondContact CB-OH 3.34Å; K138-Y147 HydrophobicContact CD-CE1 3.98Å; K138-Y147 WeakPolarHBondContact CD-OH 3.35Å; K138-Y147 WeakPolarHBondContact CG-OH 3.37Å; K138-Y147 PolarHBondContact N-OH 3.32Å; K138-E229 WeakPolarHBondContact CD-OE2 3.41Å; K138-E229 WeakPolarHBondContact CE-OE2 3.08Å; K138-E229 IonicContact NZ-OE1 3.28Å; K138-E229 PolarHBondContact NZ-OE1 3.3Å; K138-E229 IonicContact NZ-OE2 3.38Å; K138-E229 PolarHBondContact NZ-OE2 3.21Å; K138-L233 HydrophobicContact CD-CD1 3.37Å; K138-I494 HydrophobicContact CG-CD1 3.99Å; K138-I494 HydrophobicContact CG-CG1 4.38Å; K138-Y542 HydrophobicContact CB-CE1 4.43Å; K138-Y542 WeakPolarHBondContact CD-OH 3.46Å; K138-Y542 WeakPolarHBondContact CE-OH 3.33Å; K138-Y542 HydrophobicContact CG-CE1 4.14Å; K138-Y542 WeakPolarHBondContact CG-OH 3.31Å; K138-Y542 PolarHBondContact NZ-OH 3.09Å; K138-N547 CarbonylContact O-C 3.53Å; K138-N547 VanDerWaalsContact O-CA 3.28Å; K138-N547 WeakPolarHBondContact O-CA 3.38Å; K138-L548 HydrophobicContact CB-CB 4.15Å; K138-L548 WeakPolarHBondContact O-CB 3.38Å; K138-L548 PolarHBondContact O-N 2.94Å
139W94.4Very high94.5Very high101 Ų10127.7 Ų27.738%0.38314%0.139SC..THydrogen-bonded Turntrans-89.5-18.4173.8-65.9-84.1000113.4D137 L233 K235 V270 L548D137-W139 PolarHBondContact O-N 2.92Å; D137-W139 VanDerWaalsContact O-N 3.12Å; D137-W139 PolarHBondContact OD1-N 2.77Å; W139-L233 HydrophobicContact CH2-CB 3.68Å; W139-L233 HydrophobicContact CZ2-CB 4.19Å; W139-K235 HydrophobicContact CE3-CB 4.28Å; W139-K235 HydrophobicContact CE3-CD 4.45Å; W139-K235 HydrophobicContact CH2-CB 4.28Å; W139-K235 HydrophobicContact CZ3-CB 3.85Å; W139-V270 HydrophobicContact CH2-CG1 4.05Å; W139-V270 HydrophobicContact CZ3-CB 4.48Å; W139-V270 HydrophobicContact CZ3-CG1 3.74Å; W139-V270 HydrophobicContact CZ3-CG2 3.9Å; W139-L548 HydrophobicContact CZ2-CD2 4.5Å
140N93.6Very high94.4Very high70 Ų7027.6 Ų27.637%0.37414%0.139SC..EExtended strand (participates in β ladder)trans-149.285.5174.9179.95000109.8D137 S142 Y143D137-N140 WeakPolarHBondContact CB-O 2.85Å; D137-N140 CarbonylContact O-C 3.23Å; D137-N140 WeakPolarHBondContact O-CA 3.46Å; D137-N140 PolarHBondContact O-N 3.48Å; N140-S142 PolarHBondContact O-N 3.46Å; N140-S142 VanDerWaalsContact OD1-CB 3.31Å; N140-S142 WeakPolarHBondContact OD1-CB 3.36Å; N140-S142 PolarHBondContact OD1-N 3.38Å; N140-S142 PolarHBondContact OD1-OG 2.87Å; N140-S142 VanDerWaalsContact OD1-OG 3.07Å; N140-Y143 PolarHBondContact O-N 3.15Å
141S93.2Very high94.4Very high5 Ų527.6 Ų27.64%0.03514%0.139CC..EExtended strand (participates in β ladder)trans-62.62.7-174.255.70000114.7D137 Y143 F475 H545 N547D137-S141 VanDerWaalsContact O-CA 3.27Å; D137-S141 WeakPolarHBondContact O-CA 3.36Å; D137-S141 PolarHBondContact O-N 2.88Å; S141-Y143 VanDerWaalsContact C-N 3.35Å; S141-F475 WeakPolarHBondContact O-CB 3.46Å; S141-F475 WeakPolarHBondContact O-CD1 3.49Å; S141-H545 PolarHBondContact OG-O 3.2Å; S141-N547 WeakPolarHBondContact CB-OD1 3.48Å; S141-N547 PolarHBondContact N-OD1 2.83Å; S141-N547 PolarHBondContact OG-OD1 3.17Å
142S92.6Very high94.4Very high58 Ų5831 Ų3141%0.40615%0.152SC..EExtended strand (participates in β ladder)trans-77.9-13.5178.2-52.80000114.1N140 K474 F475N140-S142 PolarHBondContact O-N 3.46Å; N140-S142 VanDerWaalsContact OD1-CB 3.31Å; N140-S142 WeakPolarHBondContact OD1-CB 3.36Å; N140-S142 PolarHBondContact OD1-N 3.38Å; N140-S142 PolarHBondContact OD1-OG 2.87Å; N140-S142 VanDerWaalsContact OD1-OG 3.07Å; S142-K474 CarbonylContact O-C 3.49Å; S142-K474 VanDerWaalsContact O-CA 3.31Å; S142-K474 WeakPolarHBondContact O-CA 3.36Å; S142-F475 PolarHBondContact O-N 2.78Å
143Y93.5Very high94.4Very high104 Ų10430.7 Ų30.741%0.40815%0.15SC..EExtended strand (participates in β ladder)trans-139.5150.6-174.1-59.5-84.2000112.4A136 D137 N140 S141 C473 K474A136-Y143 CarbonylContact C-O 3.56Å; A136-Y143 VanDerWaalsContact CA-O 3.29Å; A136-Y143 WeakPolarHBondContact CA-O 3.49Å; D137-Y143 PolarHBondContact N-O 3.05Å; N140-Y143 PolarHBondContact O-N 3.15Å; S141-Y143 VanDerWaalsContact C-N 3.35Å; Y143-C473 WeakPolarHBondContact CA-O 3.38Å; Y143-K474 HydrophobicContact CD1-CG 4.3Å; Y143-K474 HydrophobicContact CE1-CG 3.9Å
144Y93.2Very high94.5Very high36 Ų3629.6 Ų29.614%0.14114%0.141CC..EExtended strand (participates in β ladder)trans-78.4139.9172.1-74-85.1000112.3I134 M135 K470 G472 C473 K474 F475I134-Y144 HydrophobicContact CG2-CD1 3.98Å; I134-Y144 HydrophobicContact CG2-CG 4.4Å; M135-Y144 WeakPolarHBondContact O-CA 2.99Å; Y144-K470 WeakPolarHBondContact CB-O 3.46Å; Y144-K470 HydrophobicContact CD1-CB 4.36Å; Y144-K470 HydrophobicContact CD2-CB 3.9Å; Y144-K470 WeakPolarHBondContact CD2-O 3.26Å; Y144-K470 HydrophobicContact CE1-CB 4.49Å; Y144-K470 HydrophobicContact CE1-CD 4.23Å; Y144-K470 HydrophobicContact CE2-CB 4.03Å; Y144-K470 HydrophobicContact CE2-CD 4.1Å; Y144-K470 HydrophobicContact CE2-CG 4.23Å; Y144-K470 HydrophobicContact CG-CB 4.07Å; Y144-G472 PolarHBondContact O-N 3.25Å; Y144-G472 VanDerWaalsContact O-N 3.08Å; Y144-C473 PolarHBondContact N-O 2.93Å; Y144-K474 WeakPolarHBondContact CE2-O 3.14Å; Y144-F475 HydrophobicContact CD1-CD2 4.13Å; Y144-F475 HydrophobicContact CD2-CB 4.19Å; Y144-F475 HydrophobicContact CD2-CD2 4.36Å; Y144-F475 AromaticContact CE1-CD2 3.56Å; Y144-F475 HydrophobicContact CE1-CD2 3.56Å; Y144-F475 HydrophobicContact CE1-CE2 4.01Å; Y144-F475 HydrophobicContact CE2-CB 4.09Å; Y144-F475 AromaticContact CE2-CD2 3.82Å; Y144-F475 HydrophobicContact CE2-CD2 3.82Å; Y144-F475 HydrophobicContact CE2-CG 4.43Å; Y144-F475 AromaticContact CZ-CD2 3.37Å
145I94.6Very high94.4Very high7 Ų729.5 Ų29.54%0.03614%0.14CC..EExtended strand (participates in β ladder)trans-136.8158.5175.1-166.8165.2000110.6M135 D137 Y147 K235 S268 V270M135-I145 PolarHBondContact N-O 3.12Å; M135-I145 PolarHBondContact O-N 3.46Å; D137-I145 HydrophobicContact CB-CB 4.16Å; D137-I145 HydrophobicContact CB-CG2 3.68Å; I145-Y147 HydrophobicContact CG2-CD2 3.96Å; I145-Y147 HydrophobicContact CG2-CE2 3.37Å; I145-K235 HydrophobicContact CD1-CD 4.25Å; I145-S268 WeakPolarHBondContact CG1-O 3.47Å; I145-V270 HydrophobicContact CD1-CG2 3.93Å; I145-V270 HydrophobicContact CG1-CG2 4.37Å; I145-V270 HydrophobicContact CG2-CG2 3.94Å
146L95.6Very high94.3Very high1 Ų127.9 Ų27.91%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-82.1125174.5-177.966.2000110.9P132 I134 L148 L259 Y262 L263 V269 V270 L471P132-L146 HydrophobicContact CB-CD1 4.08Å; I134-L146 HydrophobicContact CG1-CD1 3.97Å; L146-L148 HydrophobicContact CD2-CD2 4.24Å; L146-L148 HydrophobicContact CG-CD2 4.26Å; L146-L259 HydrophobicContact CD1-CD1 4.25Å; L146-L259 HydrophobicContact CD2-CD1 3.91Å; L146-Y262 HydrophobicContact CB-CE1 4.19Å; L146-L263 HydrophobicContact CD2-CD2 4.23Å; L146-V269 HydrophobicContact CB-CG1 4.37Å; L146-V269 HydrophobicContact CD2-CG1 3.95Å; L146-V269 HydrophobicContact CG-CG1 4.39Å; L146-V269 CarbonylContact O-C 3.56Å; L146-V269 WeakPolarHBondContact O-CA 2.81Å; L146-V270 PolarHBondContact O-N 3.44Å; L146-L471 HydrophobicContact CB-CD1 4.09Å
147Y95.9Very high93.7Very high8 Ų831.5 Ų31.53%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-99.7144167.5-75.4-105.2000109.7P132 A133 M135 A136 K138 I145 L233 V270P132-Y147 CarbonylContact C-O 3.58Å; P132-Y147 VanDerWaalsContact CA-O 3.27Å; P132-Y147 WeakPolarHBondContact CA-O 3.48Å; A133-Y147 PolarHBondContact N-O 2.84Å; A133-Y147 PolarHBondContact O-N 3.46Å; M135-Y147 HydrophobicContact CG-CD2 3.35Å; M135-Y147 HydrophobicContact CG-CE2 3.32Å; M135-Y147 HydrophobicContact CG-CG 4.17Å; M135-Y147 HydrophobicContact SD-CD2 4.04Å; M135-Y147 HydrophobicContact SD-CE2 4.02Å; M135-Y147 HydrophobicContact SD-CG 4.32Å; A136-Y147 PolarHBondContact O-OH 3.44Å; K138-Y147 WeakPolarHBondContact CB-OH 3.34Å; K138-Y147 HydrophobicContact CD-CE1 3.98Å; K138-Y147 WeakPolarHBondContact CD-OH 3.35Å; K138-Y147 WeakPolarHBondContact CG-OH 3.37Å; K138-Y147 PolarHBondContact N-OH 3.32Å; I145-Y147 HydrophobicContact CG2-CD2 3.96Å; I145-Y147 HydrophobicContact CG2-CE2 3.37Å; Y147-L233 HydrophobicContact CE1-CD2 4.5Å; Y147-V270 CarbonylContact C-O 3.58Å; Y147-V270 VanDerWaalsContact CA-O 3.29Å; Y147-V270 WeakPolarHBondContact CA-O 3.26Å; Y147-V270 HydrophobicContact CD1-CB 3.55Å; Y147-V270 HydrophobicContact CD1-CG1 3.6Å; Y147-V270 HydrophobicContact CD1-CG2 4.4Å; Y147-V270 HydrophobicContact CD2-CB 4.33Å; Y147-V270 HydrophobicContact CE1-CB 3.48Å; Y147-V270 VanDerWaalsContact CE1-CB 3.48Å; Y147-V270 HydrophobicContact CE1-CG1 3.28Å; Y147-V270 HydrophobicContact CE1-CG2 3.98Å; Y147-V270 HydrophobicContact CE2-CB 4.28Å; Y147-V270 HydrophobicContact CE2-CG2 4.15Å; Y147-V270 HydrophobicContact CG-CB 3.96Å; Y147-V270 HydrophobicContact CG-CG1 4.5Å
148L97Very high93.4Very high3 Ų332.7 Ų32.72%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-123.9122.4168.3-58.8178.7000108.5V130 P132 L146 L241 W250 Y253 V269 V270 L271 T272 F277V130-L148 HydrophobicContact CG1-CB 4.27Å; V130-L148 HydrophobicContact CG1-CD2 3.87Å; V130-L148 HydrophobicContact CG1-CG 4.48Å; P132-L148 HydrophobicContact CB-CD2 3.98Å; L146-L148 HydrophobicContact CD2-CD2 4.24Å; L146-L148 HydrophobicContact CG-CD2 4.26Å; L148-L241 HydrophobicContact CD1-CD1 4.14Å; L148-L241 HydrophobicContact CD1-CD2 3.69Å; L148-W250 HydrophobicContact CD1-CH2 4.36Å; L148-W250 HydrophobicContact CD1-CZ3 3.88Å; L148-Y253 HydrophobicContact CD2-CE1 4.42Å; L148-V269 HydrophobicContact CD1-CG2 4.45Å; L148-V270 PolarHBondContact N-O 2.86Å; L148-L271 HydrophobicContact CB-CD1 4.02Å; L148-L271 HydrophobicContact CD1-CD1 4.49Å; L148-T272 PolarHBondContact O-N 3.36Å; L148-F277 HydrophobicContact CB-CE1 4.17Å; L148-F277 HydrophobicContact CB-CZ 3.85Å; L148-F277 WeakPolarHBondContact O-CZ 3.34Å
149D96.4Very high93.2Very high30 Ų3032 Ų3216%0.1616%0.158CC..EExtended strand (participates in β ladder)trans-119.7174.2-179.8-147-25.6000112.7A131 R226 T272 F277A131-D149 HydrophobicContact CB-CB 4.21Å; A131-D149 PolarHBondContact N-O 3.47Å; A131-D149 PolarHBondContact O-N 2.93Å; D149-R226 IonicContact OD1-CZ 2.77Å; D149-R226 VanDerWaalsContact OD1-CZ 3.26Å; D149-R226 IonicContact OD1-NH1 3.82Å; D149-R226 PolarHBondContact OD1-NH1 2.92Å; D149-R226 IonicContact OD1-NH2 3.48Å; D149-R226 PolarHBondContact OD1-NH2 3.36Å; D149-R226 IonicContact OD2-CZ 3.75Å; D149-R226 IonicContact OD2-NH2 3.45Å; D149-R226 PolarHBondContact OD2-NH2 3.36Å; D149-T272 WeakPolarHBondContact OD1-CB 3.46Å; D149-T272 VanDerWaalsContact OD1-CG2 3.3Å; D149-T272 WeakPolarHBondContact OD1-CG2 3.47Å; D149-F277 WeakPolarHBondContact O-CZ 3.28Å
150Q96.2Very high93.2Very high2 Ų227.8 Ų27.81%0.00914%0.143CC..  trans-62172.7177.875.3-174.438.400113.5A131 N220 T221 Y276A131-Q150 VanDerWaalsContact CB-O 3.28Å; A131-Q150 WeakPolarHBondContact CB-O 3.42Å; Q150-N220 PolarHBondContact NE2-ND2 3.34Å; Q150-T221 PolarHBondContact NE2-O 3.29Å; Q150-T221 PolarHBondContact OE1-O 3.26Å; Q150-Y276 VanDerWaalsContact CA-CE1 3.47Å; Q150-Y276 HydrophobicContact CB-CD1 3.86Å; Q150-Y276 HydrophobicContact CB-CD2 3.71Å; Q150-Y276 HydrophobicContact CB-CE1 4.05Å; Q150-Y276 HydrophobicContact CB-CE2 3.87Å; Q150-Y276 HydrophobicContact CB-CG 3.71Å
151A96.7Very high93.1Very high1 Ų126.5 Ų26.51%0.00814%0.136CC..  trans-61.7144.3-174.200000114.2T128 L153 V216 N220 Y276T128-A151 CarbonylContact O-C 3.54Å; T128-A151 WeakPolarHBondContact O-CA 3.45Å; T128-A151 VanDerWaalsContact O-CB 3.31Å; T128-A151 WeakPolarHBondContact O-CB 3.35Å; A151-L153 HydrophobicContact CB-CD2 4.45Å; A151-V216 HydrophobicContact CB-CG1 3.3Å; A151-N220 PolarHBondContact N-OD1 3.08Å; A151-N220 PolarHBondContact O-ND2 3.49Å; A151-N220 VanDerWaalsContact O-ND2 3.11Å; A151-Y276 HydrophobicContact CB-CE2 4.4Å; A151-Y276 VanDerWaalsContact CB-OH 3.24Å; A151-Y276 WeakPolarHBondContact CB-OH 3.33Å; A151-Y276 PolarHBondContact N-OH 2.9Å
152F94.1Very high93.1Very high76 Ų7626.4 Ų26.433%0.33314%0.135SC..  trans-96.6103.5166.9-89.4-136.4000109.7P127 T128 A131 F157 R299P127-F152 HydrophobicContact CB-CB 4.32Å; P127-F152 HydrophobicContact CB-CG 4.28Å; P127-F152 HydrophobicContact CG-CB 4.07Å; P127-F152 HydrophobicContact CG-CD1 3.61Å; P127-F152 HydrophobicContact CG-CE1 4.17Å; P127-F152 HydrophobicContact CG-CG 3.83Å; T128-F152 PolarHBondContact O-N 2.96Å; A131-F152 HydrophobicContact CB-CD2 3.6Å; A131-F152 HydrophobicContact CB-CE2 3.76Å; A131-F152 HydrophobicContact CB-CG 4.41Å; F152-F157 HydrophobicContact CD2-CD2 4.24Å; F152-F157 AromaticContact CE2-CD2 3.78Å; F152-F157 HydrophobicContact CE2-CD2 3.78Å; F152-F157 HydrophobicContact CE2-CE2 4.1Å; F152-F157 HydrophobicContact CZ-CD2 4.1Å; F152-R299 PolarHBondContact O-NH2 2.69Å
153L95.4Very high93.3Very high4 Ų423.8 Ų23.82%0.02112%0.116CC..  trans-73.8158.5-178.7-54.6175.7000111.7A151 F155 G156 E160 Y163 E213 V216 A217 R299A151-L153 HydrophobicContact CB-CD2 4.45Å; L153-F155 VanDerWaalsContact C-N 3.3Å; L153-F155 PolarHBondContact O-N 2.81Å; L153-G156 PolarHBondContact O-N 3.34Å; L153-E160 HydrophobicContact CD1-CG 4.21Å; L153-Y163 HydrophobicContact CB-CE2 3.81Å; L153-Y163 HydrophobicContact CD1-CD2 3.82Å; L153-Y163 HydrophobicContact CD1-CE2 3.63Å; L153-Y163 HydrophobicContact CG-CE2 4.27Å; L153-E213 HydrophobicContact CD2-CG 4.04Å; L153-V216 HydrophobicContact CD2-CB 4.38Å; L153-V216 HydrophobicContact CD2-CG1 3.96Å; L153-A217 HydrophobicContact CD1-CB 3.69Å; L153-A217 HydrophobicContact CD2-CB 4.3Å; L153-R299 VanDerWaalsContact C-NH2 3.29Å; L153-R299 PolarHBondContact O-NH2 3.42Å
154A94.9Very high93.4Very high10 Ų1022.6 Ų22.68%0.08312%0.116CC..THydrogen-bonded Turntrans-63.6-32.6-177.200000114.5G156 Y163 Y177 E213 R299 F302A154-G156 PolarHBondContact O-N 3.43Å; A154-Y163 PolarHBondContact N-OH 3.04Å; A154-Y177 HydrophobicContact CB-CE2 3.97Å; A154-Y177 WeakPolarHBondContact CB-OH 3.18Å; A154-E213 VanDerWaalsContact CB-OE1 3.22Å; A154-E213 WeakPolarHBondContact CB-OE1 3.19Å; A154-E213 PolarHBondContact N-OE1 3.27Å; A154-R299 VanDerWaalsContact CB-NH1 3.3Å; A154-F302 HydrophobicContact CB-CD1 4.49Å; A154-F302 HydrophobicContact CB-CE1 4.4Å; A154-F302 WeakPolarHBondContact O-CE1 2.87Å
155F93.1Very high93.4Very high10 Ų1025 Ų254%0.04413%0.127CC..THydrogen-bonded Turntrans-79.43.4176.8-56.4-20.1000113.2L153 Y162 Y163 V173 Y177 F319 M323L153-F155 VanDerWaalsContact C-N 3.3Å; L153-F155 PolarHBondContact O-N 2.81Å; F155-Y162 HydrophobicContact CD2-CG 4.21Å; F155-Y163 HydrophobicContact CB-CE2 4.03Å; F155-Y163 HydrophobicContact CD2-CD1 4.5Å; F155-Y163 HydrophobicContact CD2-CD2 4.04Å; F155-Y163 AromaticContact CD2-CE1 3.9Å; F155-Y163 HydrophobicContact CD2-CE1 3.9Å; F155-Y163 AromaticContact CD2-CE2 3.36Å; F155-Y163 HydrophobicContact CD2-CE2 3.36Å; F155-Y163 AromaticContact CD2-CZ 3.29Å; F155-Y163 WeakPolarHBondContact CD2-OH 3.45Å; F155-Y163 HydrophobicContact CE2-CD1 4.24Å; F155-Y163 AromaticContact CE2-CE1 3.72Å; F155-Y163 HydrophobicContact CE2-CE1 3.72Å; F155-Y163 HydrophobicContact CE2-CE2 4.04Å; F155-Y163 AromaticContact CE2-CZ 3.61Å; F155-Y163 AromaticContact CG-CE2 3.93Å; F155-Y163 HydrophobicContact CG-CE2 3.93Å; F155-Y163 AromaticContact CG-CZ 3.75Å; F155-Y163 WeakPolarHBondContact CG-OH 3.36Å; F155-Y163 HydrophobicContact CZ-CE1 4.29Å; F155-Y163 PolarHBondContact N-OH 2.77Å; F155-V173 HydrophobicContact CD2-CG1 4.44Å; F155-V173 HydrophobicContact CE1-CG1 4.44Å; F155-V173 HydrophobicContact CE2-CG1 4.01Å; F155-V173 HydrophobicContact CZ-CG1 4.02Å; F155-Y177 HydrophobicContact CE1-CD1 4.03Å; F155-Y177 AromaticContact CE1-CD2 3.59Å; F155-Y177 HydrophobicContact CE1-CD2 3.59Å; F155-Y177 HydrophobicContact CE1-CE1 4.36Å; F155-Y177 AromaticContact CE1-CE2 3.97Å; F155-Y177 HydrophobicContact CE1-CE2 3.97Å; F155-Y177 AromaticContact CE1-CG 3.59Å; F155-Y177 HydrophobicContact CE1-CG 3.59Å; F155-Y177 AromaticContact CZ-CD1 3.88Å; F155-Y177 HydrophobicContact CZ-CD1 3.88Å; F155-Y177 HydrophobicContact CZ-CD2 4.21Å; F155-Y177 HydrophobicContact CZ-CE1 4.41Å; F155-Y177 AromaticContact CZ-CG 3.72Å; F155-Y177 HydrophobicContact CZ-CG 3.72Å; F155-F319 HydrophobicContact CD1-CE1 4.44Å; F155-F319 AromaticContact CD1-CZ 3.74Å; F155-F319 HydrophobicContact CD1-CZ 3.74Å; F155-F319 HydrophobicContact CE1-CE1 4.44Å; F155-F319 HydrophobicContact CE1-CE2 4.01Å; F155-F319 AromaticContact CE1-CZ 3.46Å; F155-F319 HydrophobicContact CE1-CZ 3.46Å; F155-F319 VanDerWaalsContact CE1-CZ 3.46Å; F155-F319 HydrophobicContact CZ-CZ 4.32Å; F155-M323 HydrophobicContact CB-CE 3.85Å; F155-M323 HydrophobicContact CG-CE 4.39Å
156G87.7Confident93.3Very high32 Ų3229.5 Ų29.533%0.3316%0.16SC..  trans104.9179.5177.200000113.2L153 A154 S159L153-G156 PolarHBondContact O-N 3.34Å; A154-G156 PolarHBondContact O-N 3.43Å; G156-S159 WeakPolarHBondContact O-CB 3.2Å; G156-S159 PolarHBondContact O-OG 2.88Å
157F82Confident93.1Very high76 Ų7632.1 Ų32.133%0.33317%0.174SC..THydrogen-bonded Turntrans-67.4148174.2-168.9-119000110.7F152 S159F152-F157 HydrophobicContact CD2-CD2 4.24Å; F152-F157 AromaticContact CE2-CD2 3.78Å; F152-F157 HydrophobicContact CE2-CD2 3.78Å; F152-F157 HydrophobicContact CE2-CE2 4.1Å; F152-F157 HydrophobicContact CZ-CD2 4.1Å; F157-S159 PolarHBondContact O-N 3.48Å
158K87.3Confident93Very high37 Ų3738.5 Ų38.516%0.16120%0.204CC..THydrogen-bonded Turntrans61.919.9-179.6-38.9179.2179.1169.30114.7E160 A223 E658K158-E160 VanDerWaalsContact CA-OE2 3.3Å; K158-E160 WeakPolarHBondContact CA-OE2 3.46Å; K158-A223 HydrophobicContact CB-CB 4.01Å; K158-A223 HydrophobicContact CD-CB 3.69Å; K158-A223 HydrophobicContact CG-CB 3.72Å; K158-E658 IonicContact NZ-OE1 3.05Å; K158-E658 PolarHBondContact NZ-OE1 3.22Å; K158-E658 VanDerWaalsContact NZ-OE1 3.13Å; K158-E658 IonicContact NZ-OE2 3.7Å; K158-E658 PolarHBondContact NZ-OE2 2.8Å
159S90.6Very high92.7Very high0 Ų040.8 Ų40.80%021%0.214CC..  trans-93.712.9-172.165.60000114.8G156 F157 D161 Y162 Y163G156-S159 WeakPolarHBondContact O-CB 3.2Å; G156-S159 PolarHBondContact O-OG 2.88Å; F157-S159 PolarHBondContact O-N 3.48Å; S159-D161 PolarHBondContact O-N 3.45Å; S159-Y162 PolarHBondContact O-N 2.8Å; S159-Y163 WeakPolarHBondContact O-CD2 3.36Å
160E93.5Very high92.6Very high13 Ų1339.8 Ų39.86%0.06121%0.209CC..Hα-helixtrans-53.8-33.2-174.5-68.177.5-170.100112.8L153 K158 Y162 Y163 L164 N220L153-E160 HydrophobicContact CD1-CG 4.21Å; K158-E160 VanDerWaalsContact CA-OE2 3.3Å; K158-E160 WeakPolarHBondContact CA-OE2 3.46Å; E160-Y162 VanDerWaalsContact C-N 3.29Å; E160-Y162 PolarHBondContact O-N 3.46Å; E160-Y163 WeakPolarHBondContact O-CB 3.4Å; E160-Y163 PolarHBondContact O-N 3.42Å; E160-L164 HydrophobicContact CB-CD1 4.16Å; E160-L164 WeakPolarHBondContact O-CB 3.41Å; E160-L164 VanDerWaalsContact O-CG 3.3Å; E160-L164 WeakPolarHBondContact O-CG 3.42Å; E160-L164 PolarHBondContact O-N 2.98Å; E160-N220 HydrophobicContact CG-CB 3.97Å; E160-N220 VanDerWaalsContact OE1-CB 3.24Å; E160-N220 WeakPolarHBondContact OE1-CB 3.36Å; E160-N220 PolarHBondContact OE1-ND2 3.02Å
161D91.5Very high92.6Very high44 Ų4443.2 Ų43.224%0.23523%0.226CC..Hα-helixtrans-56-38.6177.6-84.7-6.8000113.6S159 Y163 L164 K165 A655S159-D161 PolarHBondContact O-N 3.45Å; D161-Y163 PolarHBondContact O-N 3.19Å; D161-L164 PolarHBondContact O-N 2.88Å; D161-K165 HydrophobicContact CB-CD 3.93Å; D161-K165 HydrophobicContact CB-CG 4.29Å; D161-K165 VanDerWaalsContact CG-NZ 3.3Å; D161-K165 WeakPolarHBondContact O-CB 3.47Å; D161-K165 PolarHBondContact O-N 2.79Å; D161-K165 WeakPolarHBondContact OD1-CE 3.44Å; D161-K165 IonicContact OD1-NZ 3.75Å; D161-K165 VanDerWaalsContact OD2-CE 3.23Å; D161-K165 WeakPolarHBondContact OD2-CE 3.4Å; D161-K165 IonicContact OD2-NZ 3.14Å; D161-K165 PolarHBondContact OD2-NZ 3.32Å; D161-A655 HydrophobicContact CB-CB 4.4Å
162Y94.3Very high92.6Very high3 Ų345.2 Ų45.21%0.01224%0.237CC..Hα-helixtrans-64.8-23.7177.3-80.2-86000113.1F155 S159 E160 Y170 V173 M323 N652 A655 V656F155-Y162 HydrophobicContact CD2-CG 4.21Å; S159-Y162 PolarHBondContact O-N 2.8Å; E160-Y162 VanDerWaalsContact C-N 3.29Å; E160-Y162 PolarHBondContact O-N 3.46Å; Y162-Y170 AromaticContact CD1-CD1 3.52Å; Y162-Y170 HydrophobicContact CD1-CD1 3.52Å; Y162-Y170 HydrophobicContact CD1-CE1 4.05Å; Y162-Y170 HydrophobicContact CD2-CD1 4.46Å; Y162-Y170 HydrophobicContact CD2-CE1 4.33Å; Y162-Y170 AromaticContact CE1-CD1 3.79Å; Y162-Y170 HydrophobicContact CE1-CD1 3.79Å; Y162-Y170 HydrophobicContact CE1-CE1 4.01Å; Y162-Y170 HydrophobicContact CE2-CE1 4.32Å; Y162-Y170 AromaticContact CG-CD1 3.87Å; Y162-Y170 HydrophobicContact CG-CD1 3.87Å; Y162-Y170 HydrophobicContact CG-CE1 4.19Å; Y162-V173 HydrophobicContact CD1-CB 3.98Å; Y162-V173 HydrophobicContact CD1-CG1 3.75Å; Y162-V173 HydrophobicContact CD1-CG2 4.11Å; Y162-V173 HydrophobicContact CE1-CB 4.3Å; Y162-V173 HydrophobicContact CE1-CG1 4.2Å; Y162-V173 HydrophobicContact CE1-CG2 3.91Å; Y162-M323 HydrophobicContact CD1-CE 4.37Å; Y162-M323 HydrophobicContact CD2-CE 4.08Å; Y162-M323 HydrophobicContact CE1-CE 4.09Å; Y162-M323 HydrophobicContact CE1-CG 4.02Å; Y162-M323 HydrophobicContact CE2-CE 3.74Å; Y162-M323 HydrophobicContact CG-CE 4.38Å; Y162-N652 WeakPolarHBondContact CE2-ND2 3.45Å; Y162-N652 WeakPolarHBondContact OH-CA 3.23Å; Y162-N652 VanDerWaalsContact OH-CB 3.28Å; Y162-N652 WeakPolarHBondContact OH-CB 3.28Å; Y162-N652 PolarHBondContact OH-ND2 3.06Å; Y162-A655 HydrophobicContact CE2-CB 4.42Å; Y162-V656 HydrophobicContact CE2-CG1 4.31Å
163Y95.9Very high92.7Very high2 Ų241.6 Ų41.61%0.00822%0.221CC..Hα-helixtrans-91.9-33.2177.8-62.5-87000112.1L153 A154 F155 S159 E160 D161 R174 L210 E213 I214 A217L153-Y163 HydrophobicContact CB-CE2 3.81Å; L153-Y163 HydrophobicContact CD1-CD2 3.82Å; L153-Y163 HydrophobicContact CD1-CE2 3.63Å; L153-Y163 HydrophobicContact CG-CE2 4.27Å; A154-Y163 PolarHBondContact N-OH 3.04Å; F155-Y163 HydrophobicContact CB-CE2 4.03Å; F155-Y163 HydrophobicContact CD2-CD1 4.5Å; F155-Y163 HydrophobicContact CD2-CD2 4.04Å; F155-Y163 AromaticContact CD2-CE1 3.9Å; F155-Y163 HydrophobicContact CD2-CE1 3.9Å; F155-Y163 AromaticContact CD2-CE2 3.36Å; F155-Y163 HydrophobicContact CD2-CE2 3.36Å; F155-Y163 AromaticContact CD2-CZ 3.29Å; F155-Y163 WeakPolarHBondContact CD2-OH 3.45Å; F155-Y163 HydrophobicContact CE2-CD1 4.24Å; F155-Y163 AromaticContact CE2-CE1 3.72Å; F155-Y163 HydrophobicContact CE2-CE1 3.72Å; F155-Y163 HydrophobicContact CE2-CE2 4.04Å; F155-Y163 AromaticContact CE2-CZ 3.61Å; F155-Y163 AromaticContact CG-CE2 3.93Å; F155-Y163 HydrophobicContact CG-CE2 3.93Å; F155-Y163 AromaticContact CG-CZ 3.75Å; F155-Y163 WeakPolarHBondContact CG-OH 3.36Å; F155-Y163 HydrophobicContact CZ-CE1 4.29Å; F155-Y163 PolarHBondContact N-OH 2.77Å; S159-Y163 WeakPolarHBondContact O-CD2 3.36Å; E160-Y163 WeakPolarHBondContact O-CB 3.4Å; E160-Y163 PolarHBondContact O-N 3.42Å; D161-Y163 PolarHBondContact O-N 3.19Å; Y163-R174 PolarHBondContact O-NH1 3Å; Y163-L210 HydrophobicContact CD1-CD1 4.27Å; Y163-L210 HydrophobicContact CE1-CD1 4.29Å; Y163-E213 HydrophobicContact CD1-CG 4.34Å; Y163-E213 HydrophobicContact CE1-CB 4.19Å; Y163-E213 HydrophobicContact CE1-CG 3.57Å; Y163-E213 PolarHBondContact OH-OE1 3.19Å; Y163-E213 PolarHBondContact OH-OE2 3.3Å; Y163-I214 HydrophobicContact CD1-CG1 3.94Å; Y163-A217 HydrophobicContact CD2-CB 4.14Å; Y163-A217 HydrophobicContact CG-CB 3.94Å
164L95.3Very high92.9Very high79 Ų7943.2 Ų43.241%0.41423%0.227SC..Hα-helixtrans-106.7-28.7-165.5-57.6-177.4000114.9E160 D161 I214 R218E160-L164 HydrophobicContact CB-CD1 4.16Å; E160-L164 WeakPolarHBondContact O-CB 3.41Å; E160-L164 VanDerWaalsContact O-CG 3.3Å; E160-L164 WeakPolarHBondContact O-CG 3.42Å; E160-L164 PolarHBondContact O-N 2.98Å; D161-L164 PolarHBondContact O-N 2.88Å; L164-I214 HydrophobicContact CD2-CG2 4.4Å; L164-R218 HydrophobicContact CD2-CG 3.49Å; L164-R218 VanDerWaalsContact CD2-CG 3.49Å
165K93.4Very high93Very high86 Ų8649.1 Ų49.137%0.37425%0.253SS..  trans-79.5156.5179.7-70.8-175.9172.1166.50111.6D161 Y170 R174D161-K165 HydrophobicContact CB-CD 3.93Å; D161-K165 HydrophobicContact CB-CG 4.29Å; D161-K165 VanDerWaalsContact CG-NZ 3.3Å; D161-K165 WeakPolarHBondContact O-CB 3.47Å; D161-K165 PolarHBondContact O-N 2.79Å; D161-K165 WeakPolarHBondContact OD1-CE 3.44Å; D161-K165 IonicContact OD1-NZ 3.75Å; D161-K165 VanDerWaalsContact OD2-CE 3.23Å; D161-K165 WeakPolarHBondContact OD2-CE 3.4Å; D161-K165 IonicContact OD2-NZ 3.14Å; D161-K165 PolarHBondContact OD2-NZ 3.32Å; K165-Y170 HydrophobicContact CB-CD2 3.42Å; K165-Y170 VanDerWaalsContact CB-CD2 3.42Å; K165-Y170 HydrophobicContact CB-CE2 3.68Å; K165-Y170 HydrophobicContact CB-CG 4.22Å; K165-Y170 HydrophobicContact CD-CD2 4.27Å; K165-Y170 HydrophobicContact CD-CE2 3.6Å; K165-Y170 HydrophobicContact CG-CD2 4.45Å; K165-Y170 HydrophobicContact CG-CE2 4.26Å; K165-R174 PolarHBondContact O-NH2 3.37Å
166S93.6Very high93.2Very high103 Ų10349.4 Ų49.472%0.7226%0.257SS*.  trans-109.96.7-174.161.70000114.5
167N91.8Very high93.7Very high55 Ų5547.9 Ų47.929%0.29424%0.241SC..SBendtrans-59.2149.1171.9-53.779.5000110.4E169 Y170 L171 H580N167-E169 VanDerWaalsContact C-N 3.26Å; N167-E169 PolarHBondContact O-N 3.39Å; N167-Y170 HydrophobicContact CB-CD2 3.64Å; N167-Y170 HydrophobicContact CB-CE2 4.03Å; N167-Y170 PolarHBondContact O-N 3.34Å; N167-Y170 VanDerWaalsContact O-N 3.12Å; N167-L171 PolarHBondContact O-N 3.42Å; N167-L171 VanDerWaalsContact O-N 3.15Å; N167-H580 PolarHBondContact ND2-ND1 3.43Å
168E92.4Very high94.5Very high143 Ų14346.1 Ų46.167%0.66824%0.237SC*.Hα-helixtrans-55.3-43.3-176.3-173.5173.1178.600111.3Y170 L171 D172E168-Y170 VanDerWaalsContact C-N 3.3Å; E168-Y170 PolarHBondContact O-N 3.41Å; E168-L171 CarbonylContact O-C 3.59Å; E168-L171 WeakPolarHBondContact O-CA 3.48Å; E168-L171 WeakPolarHBondContact O-CB 3.48Å; E168-L171 PolarHBondContact O-N 3.13Å; E168-D172 PolarHBondContact O-N 2.73Å
169E91.6Very high95Very high50 Ų5050 Ų5023%0.23425%0.254CS..Hα-helixtrans-62.8-34.1-178.9-62.388.9160.500113N167 V173 H580 I651N167-E169 VanDerWaalsContact C-N 3.26Å; N167-E169 PolarHBondContact O-N 3.39Å; E169-V173 WeakPolarHBondContact O-CG2 3.43Å; E169-V173 PolarHBondContact O-N 2.94Å; E169-H580 VanDerWaalsContact CD-CD2 3.43Å; E169-H580 VanDerWaalsContact CD-NE2 3.26Å; E169-H580 IonicContact OE1-CD2 2.73Å; E169-H580 PolarHBondContact OE1-CD2 3.32Å; E169-H580 VanDerWaalsContact OE1-CD2 3.31Å; E169-H580 IonicContact OE1-NE2 3.54Å; E169-H580 IonicContact OE2-CD2 2.73Å; E169-H580 PolarHBondContact OE2-CD2 3.11Å; E169-H580 VanDerWaalsContact OE2-CD2 3.26Å; E169-H580 IonicContact OE2-NE2 3.13Å; E169-H580 PolarHBondContact OE2-NE2 3.08Å; E169-H580 VanDerWaalsContact OE2-NE2 3.14Å; E169-I651 HydrophobicContact CB-CD1 4.38Å; E169-I651 HydrophobicContact CG-CD1 3.94Å
170Y94.3Very high95.4Very high10 Ų1050.1 Ų50.14%0.03925%0.254CS..Hα-helixtrans-76.5-30.2174.4-61-56.7000112.1Y162 K165 N167 E168 R174 I651Y162-Y170 AromaticContact CD1-CD1 3.52Å; Y162-Y170 HydrophobicContact CD1-CD1 3.52Å; Y162-Y170 HydrophobicContact CD1-CE1 4.05Å; Y162-Y170 HydrophobicContact CD2-CD1 4.46Å; Y162-Y170 HydrophobicContact CD2-CE1 4.33Å; Y162-Y170 AromaticContact CE1-CD1 3.79Å; Y162-Y170 HydrophobicContact CE1-CD1 3.79Å; Y162-Y170 HydrophobicContact CE1-CE1 4.01Å; Y162-Y170 HydrophobicContact CE2-CE1 4.32Å; Y162-Y170 AromaticContact CG-CD1 3.87Å; Y162-Y170 HydrophobicContact CG-CD1 3.87Å; Y162-Y170 HydrophobicContact CG-CE1 4.19Å; K165-Y170 HydrophobicContact CB-CD2 3.42Å; K165-Y170 VanDerWaalsContact CB-CD2 3.42Å; K165-Y170 HydrophobicContact CB-CE2 3.68Å; K165-Y170 HydrophobicContact CB-CG 4.22Å; K165-Y170 HydrophobicContact CD-CD2 4.27Å; K165-Y170 HydrophobicContact CD-CE2 3.6Å; K165-Y170 HydrophobicContact CG-CD2 4.45Å; K165-Y170 HydrophobicContact CG-CE2 4.26Å; N167-Y170 HydrophobicContact CB-CD2 3.64Å; N167-Y170 HydrophobicContact CB-CE2 4.03Å; N167-Y170 PolarHBondContact O-N 3.34Å; N167-Y170 VanDerWaalsContact O-N 3.12Å; E168-Y170 VanDerWaalsContact C-N 3.3Å; E168-Y170 PolarHBondContact O-N 3.41Å; Y170-R174 PolarHBondContact O-N 3.28Å; Y170-R174 PolarHBondContact O-NE 3.27Å; Y170-R174 VanDerWaalsContact O-NE 3.13Å; Y170-I651 HydrophobicContact CE1-CG2 4.2Å
171L96.1Very high95.6Very high73 Ų7349.5 Ų49.538%0.38225%0.251SS..Hα-helixtrans-68.3-43.1172.1-70.6164.5000110.9N167 E168 V173 R174 Q175N167-L171 PolarHBondContact O-N 3.42Å; N167-L171 VanDerWaalsContact O-N 3.15Å; E168-L171 CarbonylContact O-C 3.59Å; E168-L171 WeakPolarHBondContact O-CA 3.48Å; E168-L171 WeakPolarHBondContact O-CB 3.48Å; E168-L171 PolarHBondContact O-N 3.13Å; L171-V173 VanDerWaalsContact C-N 3.31Å; L171-V173 PolarHBondContact O-N 3.42Å; L171-R174 VanDerWaalsContact CG-NH2 3.35Å; L171-R174 PolarHBondContact O-N 3.21Å; L171-Q175 WeakPolarHBondContact O-CG 3.41Å; L171-Q175 PolarHBondContact O-N 2.98Å
172D96.4Very high95.9Very high43 Ų4350 Ų5023%0.2325%0.252CS..Hα-helixtrans-55.7-45.8175.9-68.7-18000111.8E168 R174 Q175 A176 V322 R648E168-D172 PolarHBondContact O-N 2.73Å; D172-R174 PolarHBondContact O-N 3.5Å; D172-Q175 PolarHBondContact O-N 3.49Å; D172-A176 WeakPolarHBondContact O-CB 3.25Å; D172-A176 PolarHBondContact O-N 3.3Å; D172-V322 HydrophobicContact CB-CG1 4.12Å; D172-R648 IonicContact OD2-CZ 3.46Å; D172-R648 IonicContact OD2-NH1 2.62Å; D172-R648 IonicContact OD2-NH2 2.69Å; D172-R648 PolarHBondContact OD2-NH2 3.29Å
173V96.8Very high96Very high1 Ų151.9 Ų51.91%0.00626%0.261CS..Hα-helixtrans-64-41.1179.91710000111.5F155 Y162 E169 L171 A176 Y177 F319 V322 M323F155-V173 HydrophobicContact CD2-CG1 4.44Å; F155-V173 HydrophobicContact CE1-CG1 4.44Å; F155-V173 HydrophobicContact CE2-CG1 4.01Å; F155-V173 HydrophobicContact CZ-CG1 4.02Å; Y162-V173 HydrophobicContact CD1-CB 3.98Å; Y162-V173 HydrophobicContact CD1-CG1 3.75Å; Y162-V173 HydrophobicContact CD1-CG2 4.11Å; Y162-V173 HydrophobicContact CE1-CB 4.3Å; Y162-V173 HydrophobicContact CE1-CG1 4.2Å; Y162-V173 HydrophobicContact CE1-CG2 3.91Å; E169-V173 WeakPolarHBondContact O-CG2 3.43Å; E169-V173 PolarHBondContact O-N 2.94Å; L171-V173 VanDerWaalsContact C-N 3.31Å; L171-V173 PolarHBondContact O-N 3.42Å; V173-A176 PolarHBondContact O-N 2.96Å; V173-Y177 WeakPolarHBondContact O-CB 3.28Å; V173-Y177 PolarHBondContact O-N 3.47Å; V173-F319 HydrophobicContact CG1-CE2 3.96Å; V173-F319 HydrophobicContact CG1-CZ 4.13Å; V173-V322 HydrophobicContact CG2-CG1 4.2Å; V173-M323 HydrophobicContact CG1-CG 4.27Å; V173-M323 HydrophobicContact CG2-CB 4.14Å; V173-M323 HydrophobicContact CG2-CG 4.23Å
174R97.8Very high96Very high38 Ų3851.8 Ų51.814%0.14326%0.261CS..Hα-helixtrans-62.9-41.7174.8-76.4178.6-74.1-171.6-9.7112.1Y163 K165 Y170 L171 D172 Y177 V178 L210Y163-R174 PolarHBondContact O-NH1 3Å; K165-R174 PolarHBondContact O-NH2 3.37Å; Y170-R174 PolarHBondContact O-N 3.28Å; Y170-R174 PolarHBondContact O-NE 3.27Å; Y170-R174 VanDerWaalsContact O-NE 3.13Å; L171-R174 VanDerWaalsContact CG-NH2 3.35Å; L171-R174 PolarHBondContact O-N 3.21Å; D172-R174 PolarHBondContact O-N 3.5Å; R174-Y177 PolarHBondContact O-N 3.26Å; R174-V178 PolarHBondContact O-N 3.31Å; R174-V178 VanDerWaalsContact O-N 3.12Å; R174-L210 HydrophobicContact CB-CD2 3.97Å; R174-L210 HydrophobicContact CG-CD1 4.31Å; R174-L210 HydrophobicContact CG-CD2 4.32Å
175Q97.8Very high96Very high134 Ų13448 Ų4863%0.62624%0.241SC*.Hα-helixtrans-65.6-42.4175.7-68.7178.614.500111.8L171 D172 Y177 V178 K179L171-Q175 WeakPolarHBondContact O-CG 3.41Å; L171-Q175 PolarHBondContact O-N 2.98Å; D172-Q175 PolarHBondContact O-N 3.49Å; Q175-Y177 VanDerWaalsContact C-N 3.3Å; Q175-Y177 PolarHBondContact O-N 2.9Å; Q175-V178 PolarHBondContact O-N 3.46Å; Q175-K179 WeakPolarHBondContact O-CB 3.03Å; Q175-K179 PolarHBondContact O-N 3.06Å
176A98Very high96Very high15 Ų1547.3 Ų47.312%0.12424%0.241CC..Hα-helixtrans-63.1-36.3176.300000112D172 V173 K179 L180 F319 V322D172-A176 WeakPolarHBondContact O-CB 3.25Å; D172-A176 PolarHBondContact O-N 3.3Å; V173-A176 PolarHBondContact O-N 2.96Å; A176-K179 PolarHBondContact O-N 3.27Å; A176-L180 WeakPolarHBondContact O-CB 3.3Å; A176-L180 PolarHBondContact O-N 3.31Å; A176-F319 HydrophobicContact CB-CD2 3.88Å; A176-F319 HydrophobicContact CB-CE2 4.42Å; A176-V322 HydrophobicContact CB-CB 4.07Å; A176-V322 HydrophobicContact CB-CG1 3.94Å; A176-V322 HydrophobicContact CB-CG2 4.11Å
177Y98.2Very high96Very high0 Ų043.8 Ų43.80%021%0.214CC..Hα-helixtrans-66.2-44.1175.2-176.5-123.3000112.6A154 F155 V173 R174 Q175 K179 L180 I181 L210 E213 W298 F302 F319A154-Y177 HydrophobicContact CB-CE2 3.97Å; A154-Y177 WeakPolarHBondContact CB-OH 3.18Å; F155-Y177 HydrophobicContact CE1-CD1 4.03Å; F155-Y177 AromaticContact CE1-CD2 3.59Å; F155-Y177 HydrophobicContact CE1-CD2 3.59Å; F155-Y177 HydrophobicContact CE1-CE1 4.36Å; F155-Y177 AromaticContact CE1-CE2 3.97Å; F155-Y177 HydrophobicContact CE1-CE2 3.97Å; F155-Y177 AromaticContact CE1-CG 3.59Å; F155-Y177 HydrophobicContact CE1-CG 3.59Å; F155-Y177 AromaticContact CZ-CD1 3.88Å; F155-Y177 HydrophobicContact CZ-CD1 3.88Å; F155-Y177 HydrophobicContact CZ-CD2 4.21Å; F155-Y177 HydrophobicContact CZ-CE1 4.41Å; F155-Y177 AromaticContact CZ-CG 3.72Å; F155-Y177 HydrophobicContact CZ-CG 3.72Å; V173-Y177 WeakPolarHBondContact O-CB 3.28Å; V173-Y177 PolarHBondContact O-N 3.47Å; R174-Y177 PolarHBondContact O-N 3.26Å; Q175-Y177 VanDerWaalsContact C-N 3.3Å; Q175-Y177 PolarHBondContact O-N 2.9Å; Y177-K179 VanDerWaalsContact C-N 3.33Å; Y177-K179 PolarHBondContact O-N 2.91Å; Y177-L180 WeakPolarHBondContact O-CB 3.31Å; Y177-L180 PolarHBondContact O-N 2.79Å; Y177-I181 HydrophobicContact CD1-CD1 4.36Å; Y177-I181 HydrophobicContact CE1-CD1 4.29Å; Y177-I181 WeakPolarHBondContact O-CG1 3.43Å; Y177-I181 PolarHBondContact O-N 3.39Å; Y177-I181 VanDerWaalsContact O-N 3.09Å; Y177-L210 HydrophobicContact CD1-CD1 4.12Å; Y177-L210 HydrophobicContact CE1-CD1 4.4Å; Y177-E213 VanDerWaalsContact CE1-OE2 3.28Å; Y177-E213 WeakPolarHBondContact CE1-OE2 3.41Å; Y177-E213 PolarHBondContact OH-OE2 3.5Å; Y177-W298 HydrophobicContact CD2-CZ2 4.27Å; Y177-W298 AromaticContact CE2-CE2 3.84Å; Y177-W298 AromaticContact CE2-CZ2 3.78Å; Y177-W298 HydrophobicContact CE2-CZ2 3.78Å; Y177-W298 AromaticContact CE2-NE1 3.29Å; Y177-W298 VanDerWaalsContact CE2-NE1 3.29Å; Y177-W298 AromaticContact CZ-CD1 3.98Å; Y177-W298 AromaticContact CZ-NE1 3.11Å; Y177-W298 PolarHBondContact OH-NE1 2.73Å; Y177-F302 HydrophobicContact CD2-CE2 4.46Å; Y177-F302 HydrophobicContact CE2-CD2 4.25Å; Y177-F302 HydrophobicContact CE2-CE2 4.21Å; Y177-F319 HydrophobicContact CD2-CE2 4.4Å; Y177-F319 HydrophobicContact CD2-CZ 4.46Å
178V98.2Very high96Very high39 Ų3941.2 Ų41.224%0.23620%0.2CC..Hα-helixtrans-60.8-43.4173.1165.80000111.3R174 Q175 L180 I181 Q182 I206 L210R174-V178 PolarHBondContact O-N 3.31Å; R174-V178 VanDerWaalsContact O-N 3.12Å; Q175-V178 PolarHBondContact O-N 3.46Å; V178-L180 VanDerWaalsContact C-N 3.33Å; V178-L180 PolarHBondContact O-N 3.24Å; V178-I181 PolarHBondContact O-N 3.24Å; V178-Q182 PolarHBondContact O-N 2.91Å; V178-I206 HydrophobicContact CB-CG2 4.47Å; V178-I206 HydrophobicContact CG1-CG2 3.87Å; V178-L210 HydrophobicContact CG2-CB 4.24Å; V178-L210 HydrophobicContact CG2-CD2 3.71Å
179K98.1Very high96Very high120 Ų12034.9 Ų34.952%0.52217%0.171SC..Hα-helixtrans-60-44.1175.1-179.8-175.2171.4-169.30111.4Q175 A176 Y177 I181 Q182 E183Q175-K179 WeakPolarHBondContact O-CB 3.03Å; Q175-K179 PolarHBondContact O-N 3.06Å; A176-K179 PolarHBondContact O-N 3.27Å; Y177-K179 VanDerWaalsContact C-N 3.33Å; Y177-K179 PolarHBondContact O-N 2.91Å; K179-I181 PolarHBondContact O-N 2.65Å; K179-Q182 WeakPolarHBondContact O-CB 3.46Å; K179-Q182 PolarHBondContact O-N 3.06Å; K179-E183 WeakPolarHBondContact CE-OE1 3.44Å; K179-E183 HydrophobicContact CG-CG 4.36Å; K179-E183 WeakPolarHBondContact O-CG 3.44Å; K179-E183 PolarHBondContact O-N 3.4Å
180L98.5Very high95.9Very high2 Ų238.3 Ų38.31%0.0119%0.191CC..Hα-helixtrans-58.6-47178.8179.362.8000111.7A176 Y177 V178 Q182 E183 V184 W298 F302 M305 K315 F319A176-L180 WeakPolarHBondContact O-CB 3.3Å; A176-L180 PolarHBondContact O-N 3.31Å; Y177-L180 WeakPolarHBondContact O-CB 3.31Å; Y177-L180 PolarHBondContact O-N 2.79Å; V178-L180 VanDerWaalsContact C-N 3.33Å; V178-L180 PolarHBondContact O-N 3.24Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.13Å; L180-E183 PolarHBondContact O-N 3.32Å; L180-V184 HydrophobicContact CD1-CG2 4.08Å; L180-V184 HydrophobicContact CG-CG2 4.47Å; L180-V184 WeakPolarHBondContact O-CB 3.1Å; L180-V184 WeakPolarHBondContact O-CG2 3.46Å; L180-V184 PolarHBondContact O-N 3.02Å; L180-W298 HydrophobicContact CD2-CH2 4.19Å; L180-W298 HydrophobicContact CD2-CZ2 4.24Å; L180-W298 HydrophobicContact CG-CH2 3.97Å; L180-W298 HydrophobicContact CG-CZ2 4.37Å; L180-F302 HydrophobicContact CD2-CD2 3.78Å; L180-F302 HydrophobicContact CD2-CE2 3.52Å; L180-M305 HydrophobicContact CD1-CE 3.76Å; L180-M305 HydrophobicContact CD1-SD 4.36Å; L180-M305 HydrophobicContact CD2-SD 4.38Å; L180-K315 VanDerWaalsContact CD1-C 3.49Å; L180-K315 HydrophobicContact CD1-CB 3.6Å; L180-K315 VanDerWaalsContact CD1-O 3.28Å; L180-K315 WeakPolarHBondContact CD1-O 3.33Å; L180-F319 HydrophobicContact CD2-CB 3.89Å; L180-F319 HydrophobicContact CD2-CD1 4.21Å; L180-F319 HydrophobicContact CD2-CG 3.96Å
181I98.3Very high95.6Very high0 Ų039.8 Ų39.80%020%0.2CC..Hα-helixtrans-55.6-47.4176.5-62.3164.1000110.3W98 L100 Y177 V178 K179 V184 L185 I206 I209 W298W98-I181 HydrophobicContact CZ2-CG2 4.42Å; L100-I181 HydrophobicContact CD1-CG2 4.47Å; Y177-I181 HydrophobicContact CD1-CD1 4.36Å; Y177-I181 HydrophobicContact CE1-CD1 4.29Å; Y177-I181 WeakPolarHBondContact O-CG1 3.43Å; Y177-I181 PolarHBondContact O-N 3.39Å; Y177-I181 VanDerWaalsContact O-N 3.09Å; V178-I181 PolarHBondContact O-N 3.24Å; K179-I181 PolarHBondContact O-N 2.65Å; I181-V184 PolarHBondContact O-N 3.3Å; I181-L185 VanDerWaalsContact O-CB 3.3Å; I181-L185 WeakPolarHBondContact O-CB 3.47Å; I181-L185 PolarHBondContact O-N 3.21Å; I181-I206 HydrophobicContact CB-CG2 3.82Å; I181-I206 HydrophobicContact CD1-CG2 4.02Å; I181-I206 HydrophobicContact CG2-CB 4.35Å; I181-I206 HydrophobicContact CG2-CD1 4.13Å; I181-I206 HydrophobicContact CG2-CG1 3.81Å; I181-I206 HydrophobicContact CG2-CG2 3.8Å; I181-I209 HydrophobicContact CD1-CB 4.42Å; I181-I209 HydrophobicContact CD1-CD1 4.46Å; I181-I209 HydrophobicContact CD1-CG2 4.14Å; I181-I209 HydrophobicContact CG2-CD1 4.27Å; I181-W298 HydrophobicContact CB-CE3 4.44Å; I181-W298 HydrophobicContact CB-CH2 4.32Å; I181-W298 HydrophobicContact CB-CZ2 4.39Å; I181-W298 HydrophobicContact CB-CZ3 4.34Å; I181-W298 HydrophobicContact CD1-CD2 4.32Å; I181-W298 HydrophobicContact CD1-CG 4.49Å; I181-W298 HydrophobicContact CD1-CZ2 4.35Å; I181-W298 HydrophobicContact CG1-CD2 3.65Å; I181-W298 HydrophobicContact CG1-CE3 3.99Å; I181-W298 HydrophobicContact CG1-CG 4.29Å; I181-W298 HydrophobicContact CG1-CH2 3.76Å; I181-W298 HydrophobicContact CG1-CZ2 3.36Å; I181-W298 HydrophobicContact CG1-CZ3 4.04Å; I181-W298 HydrophobicContact CG2-CD2 4.44Å; I181-W298 HydrophobicContact CG2-CE3 4.23Å; I181-W298 HydrophobicContact CG2-CZ3 4.49Å
182Q97.1Very high95Very high53 Ų5338.5 Ų38.525%0.24820%0.197CC..Hα-helixtrans-63.6-42.8-179.6-178.663.977.400112.5V178 K179 L180 N186 I206V178-Q182 PolarHBondContact O-N 2.91Å; K179-Q182 WeakPolarHBondContact O-CB 3.46Å; K179-Q182 PolarHBondContact O-N 3.06Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.13Å; Q182-N186 PolarHBondContact NE2-OD1 3.4Å; Q182-N186 VanDerWaalsContact NE2-OD1 3.08Å; Q182-N186 PolarHBondContact O-N 3.27Å; Q182-N186 VanDerWaalsContact O-N 3.07Å; Q182-N186 PolarHBondContact O-ND2 3.18Å; Q182-N186 PolarHBondContact O-OD1 2.95Å; Q182-I206 HydrophobicContact CB-CD1 3.89Å; Q182-I206 HydrophobicContact CG-CD1 4.43Å; Q182-I206 VanDerWaalsContact OE1-CD1 3.28Å
183E96.7Very high94.5Very high43 Ų4339.1 Ų39.120%0.20121%0.213CC..Hα-helixtrans-67.5-39.9179.8-72.3-177.3127.200111.8K179 L180 N186 L187 K315K179-E183 WeakPolarHBondContact CE-OE1 3.44Å; K179-E183 HydrophobicContact CG-CG 4.36Å; K179-E183 WeakPolarHBondContact O-CG 3.44Å; K179-E183 PolarHBondContact O-N 3.4Å; L180-E183 PolarHBondContact O-N 3.32Å; E183-N186 PolarHBondContact O-N 2.92Å; E183-L187 WeakPolarHBondContact O-CG 3.3Å; E183-L187 PolarHBondContact O-N 2.77Å; E183-L187 VanDerWaalsContact O-N 3.11Å; E183-K315 HydrophobicContact CB-CD 4.27Å; E183-K315 HydrophobicContact CB-CG 4.33Å; E183-K315 IonicContact OE1-NZ 2.64Å; E183-K315 PolarHBondContact OE1-NZ 3.05Å; E183-K315 IonicContact OE2-NZ 2.66Å
184V96.2Very high93.9Very high0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-68.4-41.9176.41710000111.5L180 I181 N186 L187 M188 W298 I301 M305 Y312L180-V184 HydrophobicContact CD1-CG2 4.08Å; L180-V184 HydrophobicContact CG-CG2 4.47Å; L180-V184 WeakPolarHBondContact O-CB 3.1Å; L180-V184 WeakPolarHBondContact O-CG2 3.46Å; L180-V184 PolarHBondContact O-N 3.02Å; I181-V184 PolarHBondContact O-N 3.3Å; V184-N186 VanDerWaalsContact C-N 3.28Å; V184-N186 PolarHBondContact O-N 3.12Å; V184-L187 WeakPolarHBondContact O-CB 3.43Å; V184-L187 PolarHBondContact O-N 3.26Å; V184-L187 VanDerWaalsContact O-N 3.16Å; V184-M188 HydrophobicContact CG1-SD 4.16Å; V184-M188 WeakPolarHBondContact O-CG 3.24Å; V184-M188 PolarHBondContact O-N 2.96Å; V184-W298 HydrophobicContact CB-CZ3 4.1Å; V184-W298 HydrophobicContact CG1-CZ3 4.07Å; V184-W298 HydrophobicContact CG2-CH2 4.44Å; V184-W298 HydrophobicContact CG2-CZ3 4.37Å; V184-I301 HydrophobicContact CG1-CG2 3.57Å; V184-M305 HydrophobicContact CG2-CE 3.39Å; V184-M305 HydrophobicContact CG2-SD 3.84Å; V184-Y312 HydrophobicContact CG1-CD1 4.32Å; V184-Y312 HydrophobicContact CG1-CE1 4.03Å
185L95.5Very high93.1Very high0 Ų049 Ų490%026%0.263CS..Hα-helixtrans-55.8-46.2173.1175.660000110.7W98 L100 L101 I181 L187 M188 L189 T202 I206W98-L185 HydrophobicContact CE3-CD1 4.45Å; W98-L185 HydrophobicContact CH2-CB 4.26Å; W98-L185 HydrophobicContact CH2-CD1 4.29Å; W98-L185 HydrophobicContact CZ3-CB 4.49Å; W98-L185 HydrophobicContact CZ3-CD1 3.95Å; L100-L185 HydrophobicContact CB-CD1 4Å; L100-L185 HydrophobicContact CB-CD2 4.17Å; L100-L185 HydrophobicContact CD2-CD2 4.14Å; L101-L185 HydrophobicContact CD2-CD1 3.82Å; L101-L185 HydrophobicContact CG-CD1 4.43Å; I181-L185 VanDerWaalsContact O-CB 3.3Å; I181-L185 WeakPolarHBondContact O-CB 3.47Å; I181-L185 PolarHBondContact O-N 3.21Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 3.42Å; L185-M188 PolarHBondContact O-N 3.44Å; L185-L189 HydrophobicContact CD1-CD1 4.02Å; L185-L189 HydrophobicContact CD1-CD2 4.47Å; L185-L189 HydrophobicContact CD1-CG 4Å; L185-L189 HydrophobicContact CG-CD1 3.87Å; L185-L189 HydrophobicContact CG-CG 4.31Å; L185-L189 WeakPolarHBondContact O-CB 3.48Å; L185-L189 VanDerWaalsContact O-CG 3.28Å; L185-L189 WeakPolarHBondContact O-CG 3.46Å; L185-L189 PolarHBondContact O-N 3.47Å; L185-T202 HydrophobicContact CD2-CG2 3.55Å; L185-I206 HydrophobicContact CD2-CD1 4.27Å
186N93.5Very high91.9Very high72 Ų7244.9 Ų44.939%0.38525%0.246SC..Hα-helixtrans-61.2-39.9177.7-67.6-17.2000112.5Q182 E183 V184 N190Q182-N186 PolarHBondContact NE2-OD1 3.4Å; Q182-N186 VanDerWaalsContact NE2-OD1 3.08Å; Q182-N186 PolarHBondContact O-N 3.27Å; Q182-N186 VanDerWaalsContact O-N 3.07Å; Q182-N186 PolarHBondContact O-ND2 3.18Å; Q182-N186 PolarHBondContact O-OD1 2.95Å; E183-N186 PolarHBondContact O-N 2.92Å; V184-N186 VanDerWaalsContact C-N 3.28Å; V184-N186 PolarHBondContact O-N 3.12Å; N186-N190 WeakPolarHBondContact O-CB 3.26Å; N186-N190 PolarHBondContact O-N 3.36Å; N186-N190 PolarHBondContact O-ND2 3Å
187L92.6Very high90.5Very high29 Ų2949.6 Ų49.615%0.15228%0.278CS..Hα-helixtrans-61.4-46.8174.4-70.2175.6000111.4E183 V184 L185 N190 D191 R311 Y312 K315E183-L187 WeakPolarHBondContact O-CG 3.3Å; E183-L187 PolarHBondContact O-N 2.77Å; E183-L187 VanDerWaalsContact O-N 3.11Å; V184-L187 WeakPolarHBondContact O-CB 3.43Å; V184-L187 PolarHBondContact O-N 3.26Å; V184-L187 VanDerWaalsContact O-N 3.16Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 3.42Å; L187-N190 PolarHBondContact O-N 3.48Å; L187-D191 WeakPolarHBondContact O-CB 3.42Å; L187-D191 VanDerWaalsContact O-CG 3.28Å; L187-D191 PolarHBondContact O-N 2.92Å; L187-R311 HydrophobicContact CD1-CB 4.11Å; L187-R311 HydrophobicContact CD2-CB 4.21Å; L187-Y312 HydrophobicContact CB-CE1 4.36Å; L187-Y312 HydrophobicContact CD1-CD1 4.3Å; L187-Y312 HydrophobicContact CD1-CD2 4.44Å; L187-Y312 HydrophobicContact CD1-CE1 4.38Å; L187-Y312 HydrophobicContact CD1-CE2 4.5Å; L187-Y312 HydrophobicContact CD1-CG 4.33Å; L187-K315 HydrophobicContact CD1-CG 4.39Å
188M92.7Very high89.7Confident0 Ų052.5 Ų52.50%029%0.294CS..Hα-helixtrans-67.2-38.9-179.1-67.7-179.374.500112.7T85 L88 M89 V92 W98 L101 V184 L185 D191 S192 I301 Y312T85-M188 HydrophobicContact CG2-CG 4.46Å; L88-M188 HydrophobicContact CD2-CE 3.92Å; L88-M188 HydrophobicContact CD2-SD 4.16Å; L88-M188 HydrophobicContact CG-CE 4.23Å; M89-M188 HydrophobicContact CG-CE 4.5Å; M89-M188 HydrophobicContact SD-CE 3.55Å; M89-M188 VanDerWaalsContact SD-CE 3.55Å; V92-M188 HydrophobicContact CG2-CE 4.24Å; W98-M188 HydrophobicContact CE3-CE 4.47Å; W98-M188 HydrophobicContact CE3-SD 4.23Å; W98-M188 HydrophobicContact CZ3-SD 3.74Å; L101-M188 HydrophobicContact CD1-CE 4.02Å; L101-M188 HydrophobicContact CD2-CB 3.88Å; V184-M188 HydrophobicContact CG1-SD 4.16Å; V184-M188 WeakPolarHBondContact O-CG 3.24Å; V184-M188 PolarHBondContact O-N 2.96Å; L185-M188 PolarHBondContact O-N 3.44Å; M188-D191 PolarHBondContact O-N 3.38Å; M188-S192 VanDerWaalsContact O-CB 3.29Å; M188-S192 WeakPolarHBondContact O-CB 3.17Å; M188-S192 PolarHBondContact O-N 3.32Å; M188-S192 PolarHBondContact O-OG 2.89Å; M188-I301 HydrophobicContact CE-CD1 4.04Å; M188-I301 HydrophobicContact CE-CG1 4.5Å; M188-I301 HydrophobicContact SD-CD1 3.77Å; M188-I301 HydrophobicContact SD-CG1 4.33Å; M188-I301 HydrophobicContact SD-CG2 4.28Å; M188-Y312 HydrophobicContact CG-CE1 4.18Å; M188-Y312 VanDerWaalsContact CG-OH 3.29Å; M188-Y312 WeakPolarHBondContact CG-OH 3.48Å
189L91.2Very high89.1Confident11 Ų1154.5 Ų54.56%0.05831%0.309CS..Hα-helixtrans-62.1-47.2174.2-70.8170.6000111.1L101 L185 D191 S192 G193 L194 V196L101-L189 HydrophobicContact CD2-CD2 3.98Å; L101-L189 HydrophobicContact CD2-CG 4.29Å; L185-L189 HydrophobicContact CD1-CD1 4.02Å; L185-L189 HydrophobicContact CD1-CD2 4.47Å; L185-L189 HydrophobicContact CD1-CG 4Å; L185-L189 HydrophobicContact CG-CD1 3.87Å; L185-L189 HydrophobicContact CG-CG 4.31Å; L185-L189 WeakPolarHBondContact O-CB 3.48Å; L185-L189 VanDerWaalsContact O-CG 3.28Å; L185-L189 WeakPolarHBondContact O-CG 3.46Å; L185-L189 PolarHBondContact O-N 3.47Å; L189-D191 PolarHBondContact O-N 3.41Å; L189-S192 PolarHBondContact O-N 2.75Å; L189-S192 PolarHBondContact O-OG 3.46Å; L189-G193 PolarHBondContact O-N 3.07Å; L189-L194 HydrophobicContact CD2-CB 3.74Å; L189-L194 PolarHBondContact O-N 3.38Å; L189-V196 HydrophobicContact CD1-CB 4.08Å; L189-V196 HydrophobicContact CD1-CG2 3.45Å; L189-V196 VanDerWaalsContact CD1-CG2 3.45Å; L189-V196 HydrophobicContact CD2-CG2 3.87Å; L189-V196 HydrophobicContact CG-CG2 4.31Å
190N89.3Confident88.7Confident121 Ų12152 Ų5265%0.64731%0.307SS*.Hα-helixtrans-60.9-44.5177.7-73.3-13.9000112.1N186 L187 S192 G193N186-N190 WeakPolarHBondContact O-CB 3.26Å; N186-N190 PolarHBondContact O-N 3.36Å; N186-N190 PolarHBondContact O-ND2 3Å; L187-N190 PolarHBondContact O-N 3.48Å; N190-S192 VanDerWaalsContact C-N 3.33Å; N190-S192 PolarHBondContact O-N 3.49Å; N190-G193 PolarHBondContact O-N 3.22Å
191D88.2Confident88.3Confident42 Ų4254.7 Ų54.723%0.22532%0.321CS..Hα-helixtrans-71.8-26.8-178.6-71.8-5.4000113.2T85 L187 M188 L189 R311T85-D191 WeakPolarHBondContact CB-OD2 3.45Å; T85-D191 HydrophobicContact CG2-CB 3.8Å; T85-D191 PolarHBondContact OG1-OD2 3.06Å; L187-D191 WeakPolarHBondContact O-CB 3.42Å; L187-D191 VanDerWaalsContact O-CG 3.28Å; L187-D191 PolarHBondContact O-N 2.92Å; M188-D191 PolarHBondContact O-N 3.38Å; L189-D191 PolarHBondContact O-N 3.41Å; D191-R311 VanDerWaalsContact CG-NH1 3.26Å; D191-R311 IonicContact OD1-CZ 3.4Å; D191-R311 IonicContact OD1-NH1 3.79Å; D191-R311 PolarHBondContact OD1-NH1 3.22Å; D191-R311 IonicContact OD1-NH2 3.47Å; D191-R311 IonicContact OD2-CZ 2.74Å; D191-R311 IonicContact OD2-NH1 3.02Å; D191-R311 PolarHBondContact OD2-NH1 2.75Å; D191-R311 IonicContact OD2-NH2 3.19Å; D191-R311 PolarHBondContact OD2-NH2 3.37Å
192S84.9Confident88Confident46 Ų4654.9 Ų54.932%0.32232%0.322SS..Hα-helixtrans-91.4-9.3177.858.30000113.8M188 L189 N190 L194M188-S192 VanDerWaalsContact O-CB 3.29Å; M188-S192 WeakPolarHBondContact O-CB 3.17Å; M188-S192 PolarHBondContact O-N 3.32Å; M188-S192 PolarHBondContact O-OG 2.89Å; L189-S192 PolarHBondContact O-N 2.75Å; L189-S192 PolarHBondContact O-OG 3.46Å; N190-S192 VanDerWaalsContact C-N 3.33Å; N190-S192 PolarHBondContact O-N 3.49Å; S192-L194 PolarHBondContact O-N 3.46Å; S192-L194 WeakPolarHBondContact OG-CB 3.38Å; S192-L194 WeakPolarHBondContact OG-CD1 3.41Å; S192-L194 VanDerWaalsContact OG-CG 3.3Å; S192-L194 WeakPolarHBondContact OG-CG 3.22Å
193G84.8Confident87.8Confident55 Ų5559.8 Ų59.857%0.56734%0.339SS*.THydrogen-bonded Turntrans67.617.4-172.600000113.5L189 N190L189-G193 PolarHBondContact O-N 3.07Å; N190-G193 PolarHBondContact O-N 3.22Å
194L84.2Confident87.8Confident73 Ų7363.7 Ų63.738%0.38236%0.355SS..  trans-85.9150.4177.1-63.7176.2000110.1L101 L189 S192L101-L194 HydrophobicContact CB-CD1 4.39Å; L189-L194 HydrophobicContact CD2-CB 3.74Å; L189-L194 PolarHBondContact O-N 3.38Å; S192-L194 PolarHBondContact O-N 3.46Å; S192-L194 WeakPolarHBondContact OG-CB 3.38Å; S192-L194 WeakPolarHBondContact OG-CD1 3.41Å; S192-L194 VanDerWaalsContact OG-CG 3.3Å; S192-L194 WeakPolarHBondContact OG-CG 3.22Å
195H80.3Confident87.7Confident175 Ų17563.9 Ų63.981%0.8136%0.356SS*.  trans-126.2133.9177-65.7-65.6000110.6
196V74.1Confident87.8Confident47 Ų4763.9 Ų63.929%0.28536%0.356SS..  trans-90.9124.31711610000108.8L103 L189 T202L103-V196 HydrophobicContact CD1-CB 4.47Å; L103-V196 HydrophobicContact CD1-CG1 3.73Å; L103-V196 HydrophobicContact CD1-CG2 4.24Å; L189-V196 HydrophobicContact CD1-CB 4.08Å; L189-V196 HydrophobicContact CD1-CG2 3.45Å; L189-V196 VanDerWaalsContact CD1-CG2 3.45Å; L189-V196 HydrophobicContact CD2-CG2 3.87Å; L189-V196 HydrophobicContact CG-CG2 4.31Å; V196-T202 WeakPolarHBondContact CG1-OG1 3.37Å
197S68.1Low88Confident113 Ų11362.9 Ų62.979%0.7935%0.354SS*.SBendtrans-85.5-27-179.4540000113.7
198D81.6Confident88.3Confident61 Ų6163.8 Ų63.833%0.32636%0.358SS..  trans-120.296.6-173.8-169.7-17.5000112.5S200 L201 T202D198-S200 VanDerWaalsContact C-N 3.26Å; D198-S200 PolarHBondContact O-N 2.98Å; D198-S200 WeakPolarHBondContact OD1-CA 3.49Å; D198-S200 WeakPolarHBondContact OD1-CB 3.42Å; D198-S200 PolarHBondContact OD1-N 3.05Å; D198-S200 PolarHBondContact OD1-OG 3.04Å; D198-L201 HydrophobicContact CB-CB 3.92Å; D198-L201 VanDerWaalsContact CG-CB 3.43Å; D198-L201 PolarHBondContact OD1-N 3.46Å; D198-L201 WeakPolarHBondContact OD2-CB 3.46Å; D198-T202 WeakPolarHBondContact O-CB 3.18Å; D198-T202 PolarHBondContact O-N 3.39Å; D198-T202 PolarHBondContact O-OG1 3.19Å
199S86Confident88.5Confident81 Ų8163.8 Ų63.857%0.56636%0.358SS*.Hα-helixtrans-66.8-23.8176.967.10000113.7R203S199-R203 WeakPolarHBondContact O-CG 3.47Å; S199-R203 PolarHBondContact O-N 3.48Å; S199-R203 PolarHBondContact O-NE 3.38Å
200S88.9Confident88.9Confident68 Ų6864 Ų6448%0.47636%0.359SS..Hα-helixtrans-77.7-45.717975.50000111.1D198 T202 R203 K204D198-S200 VanDerWaalsContact C-N 3.26Å; D198-S200 PolarHBondContact O-N 2.98Å; D198-S200 WeakPolarHBondContact OD1-CA 3.49Å; D198-S200 WeakPolarHBondContact OD1-CB 3.42Å; D198-S200 PolarHBondContact OD1-N 3.05Å; D198-S200 PolarHBondContact OD1-OG 3.04Å; S200-T202 VanDerWaalsContact C-N 3.32Å; S200-T202 PolarHBondContact O-N 3.3Å; S200-R203 PolarHBondContact O-N 3.04Å; S200-K204 PolarHBondContact O-N 3.44Å
201L89.8Confident89.3Confident59 Ų5962.7 Ų62.731%0.30935%0.352SS..Hα-helixtrans-63.5-39.8175.1179.960.4000111.4D198 K204 Q205D198-L201 HydrophobicContact CB-CB 3.92Å; D198-L201 VanDerWaalsContact CG-CB 3.43Å; D198-L201 PolarHBondContact OD1-N 3.46Å; D198-L201 WeakPolarHBondContact OD2-CB 3.46Å; L201-K204 PolarHBondContact O-N 3.44Å; L201-Q205 HydrophobicContact CD1-CG 4.39Å; L201-Q205 WeakPolarHBondContact O-CG 3.41Å; L201-Q205 PolarHBondContact O-N 2.76Å
202T92.5Very high89.8Confident3 Ų361.1 Ų61.12%0.01834%0.343CS..Hα-helixtrans-60.3-50.9176.1-59.10000111.5L100 L185 V196 D198 S200 K204 Q205 I206L100-T202 HydrophobicContact CD2-CG2 4.14Å; L185-T202 HydrophobicContact CD2-CG2 3.55Å; V196-T202 WeakPolarHBondContact CG1-OG1 3.37Å; D198-T202 WeakPolarHBondContact O-CB 3.18Å; D198-T202 PolarHBondContact O-N 3.39Å; D198-T202 PolarHBondContact O-OG1 3.19Å; S200-T202 VanDerWaalsContact C-N 3.32Å; S200-T202 PolarHBondContact O-N 3.3Å; T202-K204 VanDerWaalsContact C-N 3.29Å; T202-K204 PolarHBondContact O-N 2.86Å; T202-Q205 PolarHBondContact O-N 3.48Å; T202-I206 HydrophobicContact CG2-CD1 4.01Å; T202-I206 WeakPolarHBondContact O-CG1 3.47Å; T202-I206 PolarHBondContact O-N 3.15Å
203R93.8Very high90.4Very high157 Ų15758.9 Ų58.959%0.59233%0.328SS*.Hα-helixtrans-58.7-41.2176.8-77.6-176-67.9165.7-1.8112.1S199 S200 I206 S207S199-R203 WeakPolarHBondContact O-CG 3.47Å; S199-R203 PolarHBondContact O-N 3.48Å; S199-R203 PolarHBondContact O-NE 3.38Å; S200-R203 PolarHBondContact O-N 3.04Å; R203-I206 PolarHBondContact O-N 2.97Å; R203-S207 PolarHBondContact O-N 2.68Å; R203-S207 PolarHBondContact O-OG 3.05Å
204K95Very high91.1Very high124 Ų12457 Ų5754%0.53931%0.305SS..Hα-helixtrans-60.4-50.4176-176.1-176.5175.1-169.20111.6S200 L201 T202 I206 S207 E208S200-K204 PolarHBondContact O-N 3.44Å; L201-K204 PolarHBondContact O-N 3.44Å; T202-K204 VanDerWaalsContact C-N 3.29Å; T202-K204 PolarHBondContact O-N 2.86Å; K204-I206 VanDerWaalsContact C-N 3.32Å; K204-I206 PolarHBondContact O-N 3.06Å; K204-S207 PolarHBondContact O-N 3.39Å; K204-E208 WeakPolarHBondContact CE-OE1 3.22Å; K204-E208 IonicContact NZ-OE1 3.92Å; K204-E208 WeakPolarHBondContact O-CG 3.41Å; K204-E208 PolarHBondContact O-N 2.99Å
205Q95.6Very high91.8Very high4 Ų455.4 Ų55.42%0.01930%0.299CS..Hα-helixtrans-64.2-34.8-179.7-74.5-17141.400112.8L100 L201 T202 E208 I209 N294L100-Q205 HydrophobicContact CD2-CB 3.71Å; L100-Q205 HydrophobicContact CG-CB 4.44Å; L201-Q205 HydrophobicContact CD1-CG 4.39Å; L201-Q205 WeakPolarHBondContact O-CG 3.41Å; L201-Q205 PolarHBondContact O-N 2.76Å; T202-Q205 PolarHBondContact O-N 3.48Å; Q205-E208 PolarHBondContact O-N 3.09Å; Q205-I209 PolarHBondContact O-N 3.06Å; Q205-N294 PolarHBondContact OE1-ND2 3.27Å
206I97.5Very high92.6Very high1 Ų147.1 Ų47.11%0.00526%0.261CS..Hα-helixtrans-65.2-45.2173.5-67.4173.9000110.8L100 V178 I181 Q182 L185 T202 R203 K204 E208 I209L100-I206 HydrophobicContact CD1-CG1 3.97Å; L100-I206 HydrophobicContact CD2-CG1 4.14Å; V178-I206 HydrophobicContact CB-CG2 4.47Å; V178-I206 HydrophobicContact CG1-CG2 3.87Å; I181-I206 HydrophobicContact CB-CG2 3.82Å; I181-I206 HydrophobicContact CD1-CG2 4.02Å; I181-I206 HydrophobicContact CG2-CB 4.35Å; I181-I206 HydrophobicContact CG2-CD1 4.13Å; I181-I206 HydrophobicContact CG2-CG1 3.81Å; I181-I206 HydrophobicContact CG2-CG2 3.8Å; Q182-I206 HydrophobicContact CB-CD1 3.89Å; Q182-I206 HydrophobicContact CG-CD1 4.43Å; Q182-I206 VanDerWaalsContact OE1-CD1 3.28Å; L185-I206 HydrophobicContact CD2-CD1 4.27Å; T202-I206 HydrophobicContact CG2-CD1 4.01Å; T202-I206 WeakPolarHBondContact O-CG1 3.47Å; T202-I206 PolarHBondContact O-N 3.15Å; R203-I206 PolarHBondContact O-N 2.97Å; K204-I206 VanDerWaalsContact C-N 3.32Å; K204-I206 PolarHBondContact O-N 3.06Å; I206-E208 VanDerWaalsContact C-N 3.29Å; I206-E208 PolarHBondContact O-N 3.11Å; I206-I209 WeakPolarHBondContact O-CB 3.28Å; I206-I209 PolarHBondContact O-N 3.03Å
207S97.4Very high93.7Very high50 Ų5044.9 Ų44.935%0.3525%0.248SC..Hα-helixtrans-61.4-38.6175.8-63.80000112.1R203 K204 I209 L210 D211R203-S207 PolarHBondContact O-N 2.68Å; R203-S207 PolarHBondContact O-OG 3.05Å; K204-S207 PolarHBondContact O-N 3.39Å; S207-I209 PolarHBondContact O-N 3.37Å; S207-L210 PolarHBondContact O-N 2.97Å; S207-L210 VanDerWaalsContact O-N 3.12Å; S207-D211 PolarHBondContact O-N 2.78Å
208E98.1Very high95.1Very high48 Ų4847.3 Ų47.322%0.22424%0.239CC..Hα-helixtrans-61.3-29.2177-74.1170.7164.700113K204 Q205 I206 F212 I291K204-E208 WeakPolarHBondContact CE-OE1 3.22Å; K204-E208 IonicContact NZ-OE1 3.92Å; K204-E208 WeakPolarHBondContact O-CG 3.41Å; K204-E208 PolarHBondContact O-N 2.99Å; Q205-E208 PolarHBondContact O-N 3.09Å; I206-E208 VanDerWaalsContact C-N 3.29Å; I206-E208 PolarHBondContact O-N 3.11Å; E208-F212 VanDerWaalsContact O-CB 3.27Å; E208-F212 WeakPolarHBondContact O-CB 3.37Å; E208-F212 PolarHBondContact O-N 3.26Å; E208-I291 HydrophobicContact CB-CD1 4.21Å; E208-I291 HydrophobicContact CB-CG1 4.31Å; E208-I291 HydrophobicContact CG-CD1 4.28Å
209I98.5Very high95.9Very high0 Ų045.8 Ų45.80%023%0.231CC..Hα-helixtrans-62.4-49.3172.8-66.2169.2000110.3L100 I181 Q205 I206 S207 E213 N294 Y295 W298L100-I209 HydrophobicContact CD1-CD1 3.83Å; I181-I209 HydrophobicContact CD1-CB 4.42Å; I181-I209 HydrophobicContact CD1-CD1 4.46Å; I181-I209 HydrophobicContact CD1-CG2 4.14Å; I181-I209 HydrophobicContact CG2-CD1 4.27Å; Q205-I209 PolarHBondContact O-N 3.06Å; I206-I209 WeakPolarHBondContact O-CB 3.28Å; I206-I209 PolarHBondContact O-N 3.03Å; S207-I209 PolarHBondContact O-N 3.37Å; I209-E213 PolarHBondContact O-N 3.22Å; I209-N294 HydrophobicContact CD1-CB 4Å; I209-N294 HydrophobicContact CG1-CB 3.85Å; I209-Y295 HydrophobicContact CG2-CD2 4.25Å; I209-W298 HydrophobicContact CD1-CB 4.2Å; I209-W298 HydrophobicContact CG2-CB 4.42Å; I209-W298 HydrophobicContact CG2-CG 4.23Å
210L98.2Very high96.3Very high15 Ų1542.3 Ų42.38%0.07921%0.206CC..Hα-helixtrans-66.8-43.6178.7173.661.2000111.2Y163 R174 Y177 V178 S207 F212 E213 I214Y163-L210 HydrophobicContact CD1-CD1 4.27Å; Y163-L210 HydrophobicContact CE1-CD1 4.29Å; R174-L210 HydrophobicContact CB-CD2 3.97Å; R174-L210 HydrophobicContact CG-CD1 4.31Å; R174-L210 HydrophobicContact CG-CD2 4.32Å; Y177-L210 HydrophobicContact CD1-CD1 4.12Å; Y177-L210 HydrophobicContact CE1-CD1 4.4Å; V178-L210 HydrophobicContact CG2-CB 4.24Å; V178-L210 HydrophobicContact CG2-CD2 3.71Å; S207-L210 PolarHBondContact O-N 2.97Å; S207-L210 VanDerWaalsContact O-N 3.12Å; L210-F212 VanDerWaalsContact C-N 3.29Å; L210-F212 PolarHBondContact O-N 3.11Å; L210-E213 PolarHBondContact O-N 3.23Å; L210-E213 VanDerWaalsContact O-N 3.17Å; L210-I214 HydrophobicContact CD1-CD1 4.01Å; L210-I214 HydrophobicContact CD1-CG1 4.02Å; L210-I214 HydrophobicContact CD2-CD1 4.49Å; L210-I214 HydrophobicContact CG-CD1 3.87Å; L210-I214 HydrophobicContact CG-CG1 4.35Å; L210-I214 VanDerWaalsContact O-CG1 3.31Å; L210-I214 WeakPolarHBondContact O-CG1 3.32Å; L210-I214 PolarHBondContact O-N 2.9Å
211D98.3Very high96.5Very high94 Ų9440.6 Ų40.650%0.50319%0.193SC..Hα-helixtrans-61.6-38.2179.4-71.9-24.8000112.1S207 S215S207-D211 PolarHBondContact O-N 2.78Å; D211-S215 PolarHBondContact O-N 3.15Å; D211-S215 VanDerWaalsContact O-N 3.09Å; D211-S215 PolarHBondContact O-OG 3.24Å
212F98.7Very high96.5Very high9 Ų939.9 Ų39.94%0.03919%0.191CC..Hα-helixtrans-64.8-47.6172.6179.8-103.4000111.5L129 E208 L210 I214 S215 V216 L283 L284 T287 I291 L292 Y295L129-F212 HydrophobicContact CD1-CZ 4.37Å; L129-F212 HydrophobicContact CD2-CE1 4.1Å; L129-F212 HydrophobicContact CD2-CZ 4.23Å; E208-F212 VanDerWaalsContact O-CB 3.27Å; E208-F212 WeakPolarHBondContact O-CB 3.37Å; E208-F212 PolarHBondContact O-N 3.26Å; L210-F212 VanDerWaalsContact C-N 3.29Å; L210-F212 PolarHBondContact O-N 3.11Å; F212-I214 VanDerWaalsContact C-N 3.33Å; F212-I214 PolarHBondContact O-N 3.11Å; F212-S215 WeakPolarHBondContact O-CA 3.3Å; F212-S215 VanDerWaalsContact O-CB 3.28Å; F212-S215 WeakPolarHBondContact O-CB 3.36Å; F212-S215 PolarHBondContact O-N 3.12Å; F212-V216 HydrophobicContact CD1-CG2 4.25Å; F212-V216 HydrophobicContact CE1-CG2 3.8Å; F212-V216 HydrophobicContact CE2-CG2 4.43Å; F212-V216 HydrophobicContact CZ-CG2 3.89Å; F212-V216 WeakPolarHBondContact O-CG2 3.14Å; F212-V216 PolarHBondContact O-N 3.5Å; F212-L283 HydrophobicContact CE2-CD2 4.09Å; F212-L283 HydrophobicContact CE2-CG 4.14Å; F212-L284 HydrophobicContact CZ-CD2 4.04Å; F212-T287 HydrophobicContact CD2-CG2 3.74Å; F212-T287 HydrophobicContact CE2-CG2 3.74Å; F212-I291 HydrophobicContact CB-CG2 3.84Å; F212-I291 HydrophobicContact CD2-CG2 4.35Å; F212-I291 HydrophobicContact CG-CG2 4.12Å; F212-L292 HydrophobicContact CD2-CD2 4.45Å; F212-L292 HydrophobicContact CE1-CD2 4.01Å; F212-L292 HydrophobicContact CE2-CD2 3.63Å; F212-L292 HydrophobicContact CZ-CD2 3.36Å; F212-Y295 AromaticContact CD1-CD1 3.8Å; F212-Y295 HydrophobicContact CD1-CD1 3.8Å; F212-Y295 AromaticContact CD1-CD2 3.85Å; F212-Y295 HydrophobicContact CD1-CD2 3.85Å; F212-Y295 HydrophobicContact CD1-CE1 4.29Å; F212-Y295 HydrophobicContact CD1-CE2 4.35Å; F212-Y295 AromaticContact CD1-CG 3.55Å; F212-Y295 HydrophobicContact CD1-CG 3.55Å; F212-Y295 AromaticContact CE1-CD1 3.49Å; F212-Y295 HydrophobicContact CE1-CD1 3.49Å; F212-Y295 VanDerWaalsContact CE1-CD1 3.49Å; F212-Y295 HydrophobicContact CE1-CD2 4.35Å; F212-Y295 AromaticContact CE1-CE1 3.83Å; F212-Y295 HydrophobicContact CE1-CE1 3.83Å; F212-Y295 AromaticContact CE1-CG 3.78Å; F212-Y295 HydrophobicContact CE1-CG 3.78Å
213E98.1Very high96.2Very high0 Ų040.5 Ų40.50%020%0.197CC..Hα-helixtrans-63.3-36.9178.9-166.7167.3-145.800112.5L153 A154 Y163 Y177 I209 L210 S215 V216 A217 Y295 R299L153-E213 HydrophobicContact CD2-CG 4.04Å; A154-E213 VanDerWaalsContact CB-OE1 3.22Å; A154-E213 WeakPolarHBondContact CB-OE1 3.19Å; A154-E213 PolarHBondContact N-OE1 3.27Å; Y163-E213 HydrophobicContact CD1-CG 4.34Å; Y163-E213 HydrophobicContact CE1-CB 4.19Å; Y163-E213 HydrophobicContact CE1-CG 3.57Å; Y163-E213 PolarHBondContact OH-OE1 3.19Å; Y163-E213 PolarHBondContact OH-OE2 3.3Å; Y177-E213 VanDerWaalsContact CE1-OE2 3.28Å; Y177-E213 WeakPolarHBondContact CE1-OE2 3.41Å; Y177-E213 PolarHBondContact OH-OE2 3.5Å; I209-E213 PolarHBondContact O-N 3.22Å; L210-E213 PolarHBondContact O-N 3.23Å; L210-E213 VanDerWaalsContact O-N 3.17Å; E213-S215 VanDerWaalsContact C-N 3.28Å; E213-S215 PolarHBondContact O-N 3.04Å; E213-V216 PolarHBondContact O-N 3.29Å; E213-A217 WeakPolarHBondContact O-CB 3.26Å; E213-A217 PolarHBondContact O-N 3.37Å; E213-Y295 HydrophobicContact CB-CD2 4.36Å; E213-Y295 HydrophobicContact CB-CE2 3.89Å; E213-Y295 HydrophobicContact CG-CE2 3.9Å; E213-R299 IonicContact OE1-NE 3.87Å
214I98.3Very high95.7Very high16 Ų1637.1 Ų37.18%0.08219%0.185CC..Hα-helixtrans-60.4-40.1170.6-69.5168.7000110.6Y163 L164 L210 F212 V216 A217 R218Y163-I214 HydrophobicContact CD1-CG1 3.94Å; L164-I214 HydrophobicContact CD2-CG2 4.4Å; L210-I214 HydrophobicContact CD1-CD1 4.01Å; L210-I214 HydrophobicContact CD1-CG1 4.02Å; L210-I214 HydrophobicContact CD2-CD1 4.49Å; L210-I214 HydrophobicContact CG-CD1 3.87Å; L210-I214 HydrophobicContact CG-CG1 4.35Å; L210-I214 VanDerWaalsContact O-CG1 3.31Å; L210-I214 WeakPolarHBondContact O-CG1 3.32Å; L210-I214 PolarHBondContact O-N 2.9Å; F212-I214 VanDerWaalsContact C-N 3.33Å; F212-I214 PolarHBondContact O-N 3.11Å; I214-V216 VanDerWaalsContact C-N 3.35Å; I214-A217 PolarHBondContact O-N 3.07Å; I214-R218 WeakPolarHBondContact O-CG 3.44Å; I214-R218 PolarHBondContact O-N 2.94Å; I214-R218 VanDerWaalsContact O-N 3.15Å
215S98.3Very high95.3Very high38 Ų3837.1 Ų37.127%0.26619%0.185SC..Hα-helixtrans-64.9-39.7177.2-600000111.6D211 F212 E213 R218 L219D211-S215 PolarHBondContact O-N 3.15Å; D211-S215 VanDerWaalsContact O-N 3.09Å; D211-S215 PolarHBondContact O-OG 3.24Å; F212-S215 WeakPolarHBondContact O-CA 3.3Å; F212-S215 VanDerWaalsContact O-CB 3.28Å; F212-S215 WeakPolarHBondContact O-CB 3.36Å; F212-S215 PolarHBondContact O-N 3.12Å; E213-S215 VanDerWaalsContact C-N 3.28Å; E213-S215 PolarHBondContact O-N 3.04Å; S215-R218 PolarHBondContact O-N 3.22Å; S215-L219 WeakPolarHBondContact O-CG 3.29Å
216V98Very high95.1Very high1 Ų138.2 Ų38.21%0.00619%0.189CC..Hα-helixtrans-64.8-44.3172.9177.80000111.3L129 A151 L153 F212 E213 I214 R218 L219 N220 L283L129-V216 HydrophobicContact CD2-CB 4.5Å; L129-V216 HydrophobicContact CD2-CG1 3.99Å; L129-V216 HydrophobicContact CD2-CG2 3.63Å; A151-V216 HydrophobicContact CB-CG1 3.3Å; L153-V216 HydrophobicContact CD2-CB 4.38Å; L153-V216 HydrophobicContact CD2-CG1 3.96Å; F212-V216 HydrophobicContact CD1-CG2 4.25Å; F212-V216 HydrophobicContact CE1-CG2 3.8Å; F212-V216 HydrophobicContact CE2-CG2 4.43Å; F212-V216 HydrophobicContact CZ-CG2 3.89Å; F212-V216 WeakPolarHBondContact O-CG2 3.14Å; F212-V216 PolarHBondContact O-N 3.5Å; E213-V216 PolarHBondContact O-N 3.29Å; I214-V216 VanDerWaalsContact C-N 3.35Å; V216-R218 PolarHBondContact O-N 3.42Å; V216-L219 WeakPolarHBondContact O-CA 3.41Å; V216-L219 WeakPolarHBondContact O-CB 3.49Å; V216-L219 PolarHBondContact O-N 3.15Å; V216-N220 PolarHBondContact O-N 3.24Å; V216-L283 HydrophobicContact CG2-CD2 3.93Å
217A97.6Very high94.7Very high1 Ų138.7 Ų38.71%0.00819%0.19CC..Hα-helixtrans-58.6-32.2177.800000112.9L153 Y163 E213 I214 L219 N220L153-A217 HydrophobicContact CD1-CB 3.69Å; L153-A217 HydrophobicContact CD2-CB 4.3Å; Y163-A217 HydrophobicContact CD2-CB 4.14Å; Y163-A217 HydrophobicContact CG-CB 3.94Å; E213-A217 WeakPolarHBondContact O-CB 3.26Å; E213-A217 PolarHBondContact O-N 3.37Å; I214-A217 PolarHBondContact O-N 3.07Å; A217-L219 VanDerWaalsContact C-N 3.28Å; A217-L219 PolarHBondContact O-N 3.29Å; A217-N220 PolarHBondContact O-N 3.49Å
218R97.4Very high94.3Very high164 Ų16438.9 Ų38.962%0.61919%0.186SC*.THydrogen-bonded Turntrans-69.8-22.4173.5-68.9177.6-177.4128.10.1113.7L164 I214 S215 V216L164-R218 HydrophobicContact CD2-CG 3.49Å; L164-R218 VanDerWaalsContact CD2-CG 3.49Å; I214-R218 WeakPolarHBondContact O-CG 3.44Å; I214-R218 PolarHBondContact O-N 2.94Å; I214-R218 VanDerWaalsContact O-N 3.15Å; S215-R218 PolarHBondContact O-N 3.22Å; V216-R218 PolarHBondContact O-N 3.42Å
219L97.1Very high94Very high28 Ų2837.5 Ų37.515%0.14718%0.18CC..THydrogen-bonded Turntrans-82.2-32177.2-55.3-170000111.9S215 V216 A217 Y276 Q279 M280 L283S215-L219 WeakPolarHBondContact O-CG 3.29Å; V216-L219 WeakPolarHBondContact O-CA 3.41Å; V216-L219 WeakPolarHBondContact O-CB 3.49Å; V216-L219 PolarHBondContact O-N 3.15Å; A217-L219 VanDerWaalsContact C-N 3.28Å; A217-L219 PolarHBondContact O-N 3.29Å; L219-Y276 HydrophobicContact CB-CD2 3.88Å; L219-Y276 HydrophobicContact CB-CE2 3.93Å; L219-Q279 HydrophobicContact CD1-CB 4.22Å; L219-Q279 HydrophobicContact CD2-CB 3.86Å; L219-M280 HydrophobicContact CD1-CB 4.39Å; L219-L283 HydrophobicContact CD1-CB 4.13Å; L219-L283 HydrophobicContact CD1-CD2 3.71Å; L219-L283 HydrophobicContact CG-CD2 4.47Å
220N96Very high93.5Very high9 Ų941.2 Ų41.25%0.04820%0.202CC..SBendtrans-56.2139.8179.2-87.310.5000111.2Q150 A151 E160 V216 A217 P222 Y276Q150-N220 PolarHBondContact NE2-ND2 3.34Å; A151-N220 PolarHBondContact N-OD1 3.08Å; A151-N220 PolarHBondContact O-ND2 3.49Å; A151-N220 VanDerWaalsContact O-ND2 3.11Å; E160-N220 HydrophobicContact CG-CB 3.97Å; E160-N220 VanDerWaalsContact OE1-CB 3.24Å; E160-N220 WeakPolarHBondContact OE1-CB 3.36Å; E160-N220 PolarHBondContact OE1-ND2 3.02Å; V216-N220 PolarHBondContact O-N 3.24Å; A217-N220 PolarHBondContact O-N 3.49Å; N220-P222 WeakPolarHBondContact O-CD 3.4Å; N220-Y276 WeakPolarHBondContact OD1-CE2 3.46Å
221T93.4Very high92.9Very high32 Ų3246.2 Ų46.220%0.19623%0.229CC..PPolyproline II helixtrans-80.2123.8169-58.70000107.6Q150 K225 R226Q150-T221 PolarHBondContact NE2-O 3.29Å; Q150-T221 PolarHBondContact OE1-O 3.26Å; T221-K225 HydrophobicContact CG2-CB 3.68Å; T221-R226 HydrophobicContact CG2-CG 3.72Å; T221-R226 WeakPolarHBondContact O-CD 3.35Å
222P88.6Confident92.6Very high43 Ų4343 Ų4328%0.27921%0.211SC..PPolyproline II helixtrans-58.3147.2179.3-26.735.1000112.5N220 Y224 K225N220-P222 WeakPolarHBondContact O-CD 3.4Å; P222-Y224 VanDerWaalsContact C-N 3.29Å; P222-Y224 HydrophobicContact CB-CD1 3.66Å; P222-Y224 HydrophobicContact CB-CE1 3.41Å; P222-Y224 VanDerWaalsContact CB-CE1 3.41Å; P222-Y224 HydrophobicContact CG-CE1 4.06Å; P222-Y224 PolarHBondContact O-N 3.49Å; P222-K225 PolarHBondContact O-N 2.94Å
223A85.9Confident92.4Very high16 Ų1642.7 Ų42.713%0.13221%0.211CC..G310 helixtrans-51.1-43.3-174.300000114K158 K225 R226K158-A223 HydrophobicContact CB-CB 4.01Å; K158-A223 HydrophobicContact CD-CB 3.69Å; K158-A223 HydrophobicContact CG-CB 3.72Å; A223-K225 PolarHBondContact O-N 3.2Å; A223-R226 WeakPolarHBondContact O-CB 3.46Å; A223-R226 PolarHBondContact O-N 3.5Å
224Y83.1Confident92.2Very high86 Ų8648 Ų4834%0.33723%0.23SC..G310 helixtrans-60.5-30178.975.8-93.2000112.8P222 R226 Y588P222-Y224 VanDerWaalsContact C-N 3.29Å; P222-Y224 HydrophobicContact CB-CD1 3.66Å; P222-Y224 HydrophobicContact CB-CE1 3.41Å; P222-Y224 VanDerWaalsContact CB-CE1 3.41Å; P222-Y224 HydrophobicContact CG-CE1 4.06Å; P222-Y224 PolarHBondContact O-N 3.49Å; Y224-R226 VanDerWaalsContact C-N 3.25Å; Y224-R226 PolarHBondContact O-N 3.35Å; Y224-Y588 HydrophobicContact CD2-CD1 4.31Å; Y224-Y588 HydrophobicContact CD2-CE1 4.45Å; Y224-Y588 WeakPolarHBondContact O-CE1 3.42Å
225K87Confident92.1Very high125 Ų12551.8 Ų51.854%0.54325%0.246SC..G310 helixtrans-81.2-2.1176.5-69-175.4173.7163.10113.9T221 P222 A223T221-K225 HydrophobicContact CG2-CB 3.68Å; P222-K225 PolarHBondContact O-N 2.94Å; A223-K225 PolarHBondContact O-N 3.2Å
226R91.3Very high91.9Very high27 Ų2751.1 Ų51.110%0.10224%0.24CC..G310 helixtrans-105.34.3-173.1-63174.251.393.87.8113.9D149 T221 A223 Y224 L232 T272D149-R226 IonicContact OD1-CZ 2.77Å; D149-R226 VanDerWaalsContact OD1-CZ 3.26Å; D149-R226 IonicContact OD1-NH1 3.82Å; D149-R226 PolarHBondContact OD1-NH1 2.92Å; D149-R226 IonicContact OD1-NH2 3.48Å; D149-R226 PolarHBondContact OD1-NH2 3.36Å; D149-R226 IonicContact OD2-CZ 3.75Å; D149-R226 IonicContact OD2-NH2 3.45Å; D149-R226 PolarHBondContact OD2-NH2 3.36Å; T221-R226 HydrophobicContact CG2-CG 3.72Å; T221-R226 WeakPolarHBondContact O-CD 3.35Å; A223-R226 WeakPolarHBondContact O-CB 3.46Å; A223-R226 PolarHBondContact O-N 3.5Å; Y224-R226 VanDerWaalsContact C-N 3.25Å; Y224-R226 PolarHBondContact O-N 3.35Å; R226-L232 HydrophobicContact CB-CD2 3.9Å; R226-L232 HydrophobicContact CG-CD2 4.02Å; R226-T272 VanDerWaalsContact NH2-CG2 3.33Å
227R89.8Confident91.7Very high10 Ų1052.3 Ų52.34%0.03825%0.252CS..SBendtrans-77-28.4-175.9-54.9-169.670.7736.2113.6E229 D537 Q538 Q541 E658R227-E229 PolarHBondContact O-N 2.91Å; R227-D537 IonicContact CZ-OD1 3.26Å; R227-D537 IonicContact CZ-OD2 3.23Å; R227-D537 IonicContact NE-OD1 3.42Å; R227-D537 IonicContact NE-OD2 3.22Å; R227-D537 PolarHBondContact NE-OD2 3.36Å; R227-D537 IonicContact NH2-OD1 3.78Å; R227-D537 PolarHBondContact NH2-OD1 2.89Å; R227-D537 IonicContact NH2-OD2 3.42Å; R227-Q538 HydrophobicContact CB-CG 4.27Å; R227-Q538 VanDerWaalsContact CZ-OE1 3.27Å; R227-Q541 PolarHBondContact O-NE2 3.29Å; R227-E658 IonicContact NH1-OE2 3.78Å
228E89.8Confident91.5Very high55 Ų5552.8 Ų52.826%0.25725%0.254SS..  trans-90.791.7175.4-62.2-71.7164.900109.9T230 K564E228-T230 PolarHBondContact O-N 3.04Å; E228-K564 IonicContact OE1-NZ 2.78Å; E228-K564 PolarHBondContact OE1-NZ 3.01Å
229E91.1Very high91.3Very high19 Ų1950.2 Ų50.29%0.08925%0.249CC..Hα-helixtrans-73.9-29.6-168.9-63.1-163.9155.500113.5K138 R227 D231 L232 L233 Y542 L548K138-E229 WeakPolarHBondContact CD-OE2 3.41Å; K138-E229 WeakPolarHBondContact CE-OE2 3.08Å; K138-E229 IonicContact NZ-OE1 3.28Å; K138-E229 PolarHBondContact NZ-OE1 3.3Å; K138-E229 IonicContact NZ-OE2 3.38Å; K138-E229 PolarHBondContact NZ-OE2 3.21Å; R227-E229 PolarHBondContact O-N 2.91Å; E229-D231 PolarHBondContact O-N 3.45Å; E229-L232 PolarHBondContact O-N 3.42Å; E229-L232 VanDerWaalsContact O-N 3.08Å; E229-L233 HydrophobicContact CB-CD1 3.91Å; E229-L233 HydrophobicContact CB-CG 4.24Å; E229-L233 WeakPolarHBondContact O-CB 3.36Å; E229-L233 WeakPolarHBondContact O-CG 3.13Å; E229-L233 PolarHBondContact O-N 3.16Å; E229-Y542 PolarHBondContact OE2-OH 3.21Å; E229-L548 HydrophobicContact CB-CD1 4.33Å; E229-L548 HydrophobicContact CB-CD2 4.42Å
230T87.1Confident91.1Very high77 Ų7753 Ų5347%0.47226%0.263SS..Hα-helixtrans-56.4-36.3178.7-57.20000111.6E228 R234E228-T230 PolarHBondContact O-N 3.04Å; T230-R234 PolarHBondContact O-NH1 2.86Å
231D85.9Confident91Very high120 Ų12052.6 Ų52.664%0.64226%0.261SS*.Hα-helixtrans-85.1-23.4-179.4-68.6-21000112.8E229 R234E229-D231 PolarHBondContact O-N 3.45Å; D231-R234 VanDerWaalsContact O-CZ 3.23Å; D231-R234 PolarHBondContact O-NH1 2.88Å; D231-R234 VanDerWaalsContact O-NH1 3.17Å; D231-R234 PolarHBondContact O-NH2 3.02Å
232L92Very high91.1Very high26 Ų2652.7 Ų52.714%0.13626%0.262CS..Hα-helixtrans-89.9-41.9-173.9-175.266.2000113.4R226 E229 T272 G273R226-L232 HydrophobicContact CB-CD2 3.9Å; R226-L232 HydrophobicContact CG-CD2 4.02Å; E229-L232 PolarHBondContact O-N 3.42Å; E229-L232 VanDerWaalsContact O-N 3.08Å; L232-T272 HydrophobicContact CD1-CG2 4.49Å; L232-T272 HydrophobicContact CD2-CG2 3.49Å; L232-T272 VanDerWaalsContact CD2-CG2 3.49Å; L232-T272 HydrophobicContact CG-CG2 3.76Å; L232-G273 PolarHBondContact O-N 3.17Å
233L95Very high91.4Very high4 Ų457.1 Ų57.12%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-85.6136.9-171.3-59.9178000111.8K138 W139 Y147 E229 V270 T272 L548K138-L233 HydrophobicContact CD-CD1 3.37Å; W139-L233 HydrophobicContact CH2-CB 3.68Å; W139-L233 HydrophobicContact CZ2-CB 4.19Å; Y147-L233 HydrophobicContact CE1-CD2 4.5Å; E229-L233 HydrophobicContact CB-CD1 3.91Å; E229-L233 HydrophobicContact CB-CG 4.24Å; E229-L233 WeakPolarHBondContact O-CB 3.36Å; E229-L233 WeakPolarHBondContact O-CG 3.13Å; E229-L233 PolarHBondContact O-N 3.16Å; L233-V270 HydrophobicContact CB-CG1 4.2Å; L233-V270 HydrophobicContact CD2-CG1 4.18Å; L233-T272 HydrophobicContact CD2-CG2 3.84Å; L233-T272 VanDerWaalsContact CD2-OG1 3.28Å; L233-T272 WeakPolarHBondContact CD2-OG1 2.99Å; L233-L548 HydrophobicContact CD1-CD2 4.34Å
234R94.6Very high91.9Very high110 Ų11057.1 Ų57.142%0.41528%0.276SS..EExtended strand (participates in β ladder)trans-134.4123.7173.8-60.6-66.8176.1-98.7-0.1109.6T230 D231 I236 L271T230-R234 PolarHBondContact O-NH1 2.86Å; D231-R234 VanDerWaalsContact O-CZ 3.23Å; D231-R234 PolarHBondContact O-NH1 2.88Å; D231-R234 VanDerWaalsContact O-NH1 3.17Å; D231-R234 PolarHBondContact O-NH2 3.02Å; R234-I236 HydrophobicContact CB-CG2 4.14Å; R234-L271 PolarHBondContact N-O 3.44Å; R234-L271 PolarHBondContact O-N 3.41Å
235K95.1Very high92.5Very high97 Ų9753 Ų5342%0.42226%0.26SS..EExtended strand (participates in β ladder)trans-84.2121169.3-171.5171.8-179.9171.90108.9D137 W139 I145 S268 V269D137-K235 IonicContact OD2-NZ 3.7Å; D137-K235 PolarHBondContact OD2-NZ 2.82Å; W139-K235 HydrophobicContact CE3-CB 4.28Å; W139-K235 HydrophobicContact CE3-CD 4.45Å; W139-K235 HydrophobicContact CH2-CB 4.28Å; W139-K235 HydrophobicContact CZ3-CB 3.85Å; I145-K235 HydrophobicContact CD1-CD 4.25Å; K235-S268 VanDerWaalsContact CE-CB 3.49Å; K235-V269 WeakPolarHBondContact CA-O 3.49Å
236I94.7Very high92.9Very high24 Ų2451.6 Ų51.612%0.12326%0.264CS..EExtended strand (participates in β ladder)trans-136159.3-173.764.8172.9000111.1R234 D240 L241 I244 S268 V269 L271R234-I236 HydrophobicContact CB-CG2 4.14Å; I236-D240 HydrophobicContact CB-CB 3.94Å; I236-D240 HydrophobicContact CD1-CB 4.28Å; I236-L241 HydrophobicContact CD1-CB 4.03Å; I236-L241 HydrophobicContact CD1-CD1 4.15Å; I236-I244 HydrophobicContact CD1-CD1 3.57Å; I236-S268 WeakPolarHBondContact O-CA 3.29Å; I236-V269 HydrophobicContact CD1-CG2 4.27Å; I236-V269 HydrophobicContact CG1-CG2 3.67Å; I236-V269 PolarHBondContact N-O 3.41Å; I236-V269 PolarHBondContact O-N 3.07Å; I236-L271 HydrophobicContact CD1-CB 4.07Å; I236-L271 HydrophobicContact CD1-CD2 3.95Å; I236-L271 HydrophobicContact CD1-CG 4.49Å; I236-L271 HydrophobicContact CG1-CB 4.44Å
237G93.8Very high93.1Very high25 Ų2552.4 Ų52.426%0.25827%0.273SS..EExtended strand (participates in β ladder)trans-80.3167.217100000112.2Q239 D240 L241G237-Q239 VanDerWaalsContact C-N 3.32Å; G237-Q239 PolarHBondContact O-N 3.33Å; G237-D240 PolarHBondContact N-OD2 3.14Å; G237-D240 PolarHBondContact O-N 2.81Å; G237-L241 PolarHBondContact O-N 2.76Å
238F93Very high93.4Very high11 Ų1152.1 Ų52.15%0.04827%0.272CS..Hα-helixtrans-61-37.2178.5-174.3-113.1000113.5D240 L241 V242 W250 H251 A254 L263F238-D240 PolarHBondContact O-N 3.36Å; F238-L241 HydrophobicContact CD2-CD2 4.32Å; F238-L241 VanDerWaalsContact O-CB 3.31Å; F238-L241 WeakPolarHBondContact O-CB 3.48Å; F238-L241 PolarHBondContact O-N 2.88Å; F238-V242 HydrophobicContact CE1-CG2 4.35Å; F238-V242 PolarHBondContact O-N 3.42Å; F238-V242 VanDerWaalsContact O-N 3.15Å; F238-W250 HydrophobicContact CE2-CB 3.91Å; F238-W250 HydrophobicContact CZ-CB 3.84Å; F238-H251 AromaticContact CE1-CE1 3.54Å; F238-H251 AromaticContact CE1-ND1 3.7Å; F238-H251 AromaticContact CE1-NE2 3.88Å; F238-A254 HydrophobicContact CE2-CB 4.31Å; F238-A254 HydrophobicContact CZ-CB 4.39Å; F238-L263 HydrophobicContact CB-CB 4.32Å; F238-L263 HydrophobicContact CD2-CB 3.7Å; F238-L263 HydrophobicContact CD2-CD1 3.85Å; F238-L263 HydrophobicContact CD2-CD2 4.29Å; F238-L263 HydrophobicContact CD2-CG 4.15Å; F238-L263 HydrophobicContact CE2-CB 4.13Å; F238-L263 HydrophobicContact CE2-CD1 3.79Å; F238-L263 HydrophobicContact CE2-CG 4.5Å; F238-L263 HydrophobicContact CG-CB 3.99Å
239Q92.8Very high93.7Very high111 Ų11152.2 Ų52.252%0.51928%0.275SS..Hα-helixtrans-67.2-36.3177.4-66.1-59.4-32.800112.8G237 L241 V242 H243G237-Q239 VanDerWaalsContact C-N 3.32Å; G237-Q239 PolarHBondContact O-N 3.33Å; Q239-L241 VanDerWaalsContact C-N 3.27Å; Q239-L241 PolarHBondContact O-N 3.12Å; Q239-V242 WeakPolarHBondContact O-CB 3.2Å; Q239-V242 PolarHBondContact O-N 2.95Å; Q239-H243 PolarHBondContact O-CD2 3.4Å; Q239-H243 PolarHBondContact O-N 2.86Å
240D94.1Very high93.9Very high85 Ų8551.5 Ų51.546%0.45527%0.272SS..Hα-helixtrans-63.3-37.5173.9-63.5-47.5000111.4I236 G237 F238 H243 I244I236-D240 HydrophobicContact CB-CB 3.94Å; I236-D240 HydrophobicContact CD1-CB 4.28Å; G237-D240 PolarHBondContact N-OD2 3.14Å; G237-D240 PolarHBondContact O-N 2.81Å; F238-D240 PolarHBondContact O-N 3.36Å; D240-H243 PolarHBondContact O-N 3.07Å; D240-I244 WeakPolarHBondContact O-CD1 3.44Å; D240-I244 VanDerWaalsContact O-CG1 3.22Å; D240-I244 WeakPolarHBondContact O-CG1 3.27Å; D240-I244 PolarHBondContact O-N 3.44Å
241L93.3Very high94.3Very high1 Ų151.9 Ų51.91%0.00527%0.268CS..Hα-helixtrans-61.8-45176.1-175.465.9000111.2L148 I236 G237 F238 Q239 H243 I244 A245 W250 V269 L271L148-L241 HydrophobicContact CD1-CD1 4.14Å; L148-L241 HydrophobicContact CD1-CD2 3.69Å; I236-L241 HydrophobicContact CD1-CB 4.03Å; I236-L241 HydrophobicContact CD1-CD1 4.15Å; G237-L241 PolarHBondContact O-N 2.76Å; F238-L241 HydrophobicContact CD2-CD2 4.32Å; F238-L241 VanDerWaalsContact O-CB 3.31Å; F238-L241 WeakPolarHBondContact O-CB 3.48Å; F238-L241 PolarHBondContact O-N 2.88Å; Q239-L241 VanDerWaalsContact C-N 3.27Å; Q239-L241 PolarHBondContact O-N 3.12Å; L241-H243 VanDerWaalsContact C-N 3.31Å; L241-H243 PolarHBondContact O-N 3.09Å; L241-I244 PolarHBondContact O-N 3.09Å; L241-I244 VanDerWaalsContact O-N 3.17Å; L241-A245 PolarHBondContact O-N 3.36Å; L241-W250 HydrophobicContact CD1-CD2 4.41Å; L241-W250 HydrophobicContact CD1-CE3 4.38Å; L241-W250 HydrophobicContact CD1-CH2 3.62Å; L241-W250 HydrophobicContact CD1-CZ2 3.64Å; L241-W250 HydrophobicContact CD1-CZ3 4.02Å; L241-W250 HydrophobicContact CD2-CD2 3.72Å; L241-W250 HydrophobicContact CD2-CE3 3.37Å; L241-W250 HydrophobicContact CD2-CG 4.43Å; L241-W250 HydrophobicContact CD2-CH2 4.08Å; L241-W250 HydrophobicContact CD2-CZ2 4.38Å; L241-W250 HydrophobicContact CD2-CZ3 3.58Å; L241-W250 HydrophobicContact CG-CD2 3.63Å; L241-W250 HydrophobicContact CG-CE3 3.77Å; L241-W250 HydrophobicContact CG-CG 4.3Å; L241-W250 HydrophobicContact CG-CH2 3.91Å; L241-W250 HydrophobicContact CG-CZ2 3.78Å; L241-W250 HydrophobicContact CG-CZ3 3.91Å; L241-W250 PolarHBondContact O-NE1 2.99Å; L241-V269 HydrophobicContact CD2-CG2 4.3Å; L241-L271 HydrophobicContact CD1-CD1 3.73Å
242V94.7Very high94.8Very high34 Ų3449.9 Ų49.921%0.20625%0.253CS..Hα-helixtrans-57.7-43.2172.8176.70000111.1F238 Q239 I244 A245 P246 W250F238-V242 HydrophobicContact CE1-CG2 4.35Å; F238-V242 PolarHBondContact O-N 3.42Å; F238-V242 VanDerWaalsContact O-N 3.15Å; Q239-V242 WeakPolarHBondContact O-CB 3.2Å; Q239-V242 PolarHBondContact O-N 2.95Å; V242-I244 VanDerWaalsContact C-N 3.34Å; V242-I244 PolarHBondContact O-N 2.75Å; V242-A245 CarbonylContact O-C 3.38Å; V242-P246 VanDerWaalsContact O-CA 3.27Å; V242-P246 WeakPolarHBondContact O-CA 3.39Å; V242-W250 HydrophobicContact CG2-CB 4.02Å; V242-W250 HydrophobicContact CG2-CG 4.25Å
243H95.4Very high95Very high137 Ų13748.8 Ų48.863%0.63425%0.247SC*.Hα-helixtrans-67.1-29.5177.6-68.7-44.5000114.2Q239 D240 L241Q239-H243 PolarHBondContact O-CD2 3.4Å; Q239-H243 PolarHBondContact O-N 2.86Å; D240-H243 PolarHBondContact O-N 3.07Å; L241-H243 VanDerWaalsContact C-N 3.31Å; L241-H243 PolarHBondContact O-N 3.09Å
244I96Very high95Very high15 Ų1548.6 Ų48.68%0.07725%0.247CC..Hα-helixtrans-71-40.5-179.3-73165.2000111.6I236 D240 L241 V242 L271 K274 F277 H278I236-I244 HydrophobicContact CD1-CD1 3.57Å; D240-I244 WeakPolarHBondContact O-CD1 3.44Å; D240-I244 VanDerWaalsContact O-CG1 3.22Å; D240-I244 WeakPolarHBondContact O-CG1 3.27Å; D240-I244 PolarHBondContact O-N 3.44Å; L241-I244 PolarHBondContact O-N 3.09Å; L241-I244 VanDerWaalsContact O-N 3.17Å; V242-I244 VanDerWaalsContact C-N 3.34Å; V242-I244 PolarHBondContact O-N 2.75Å; I244-L271 HydrophobicContact CD1-CD2 3.68Å; I244-L271 HydrophobicContact CG2-CD2 4.42Å; I244-K274 HydrophobicContact CD1-CD 4.27Å; I244-K274 HydrophobicContact CD1-CG 4.1Å; I244-K274 HydrophobicContact CG1-CD 4.41Å; I244-K274 HydrophobicContact CG1-CG 4.26Å; I244-K274 HydrophobicContact CG2-CG 4.15Å; I244-F277 HydrophobicContact CG2-CB 3.9Å; I244-H278 HydrophobicContact CG2-CB 4.41Å; I244-H278 WeakPolarHBondContact O-CA 3.31Å; I244-H278 PolarHBondContact O-ND1 2.66Å; I244-H278 VanDerWaalsContact O-ND1 3.14Å
245A96Very high95.1Very high1 Ų150.1 Ų50.11%0.00826%0.256CS..SBendtrans-135.174.4-178.600000110.1L241 V242 S247 F248 W250 F277L241-A245 PolarHBondContact O-N 3.36Å; V242-A245 CarbonylContact O-C 3.38Å; A245-S247 PolarHBondContact O-N 2.7Å; A245-F248 HydrophobicContact CB-CB 4.47Å; A245-F248 PolarHBondContact O-N 2.97Å; A245-W250 HydrophobicContact CB-CZ2 4.01Å; A245-W250 PolarHBondContact O-NE1 2.81Å; A245-W250 VanDerWaalsContact O-NE1 3.09Å; A245-F277 WeakPolarHBondContact CB-O 3.08Å
246P96.3Very high95.1Very high94 Ų9446.2 Ų46.261%0.6124%0.241SC*.THydrogen-bonded Turntrans-68.1-23-173.427.1-35.7000113.6V242 F248V242-P246 VanDerWaalsContact O-CA 3.27Å; V242-P246 WeakPolarHBondContact O-CA 3.39Å; P246-F248 PolarHBondContact O-N 2.84Å
247S94.4Very high95.2Very high44 Ų4445.1 Ų45.131%0.30824%0.235SC..THydrogen-bonded Turntrans-78.6-0.3178.1-39.40000113.7A245 E285A245-S247 PolarHBondContact O-N 2.7Å; S247-E285 WeakPolarHBondContact CB-OE2 3.42Å; S247-E285 PolarHBondContact OG-OE2 2.71Å
248F96.9Very high95.2Very high4 Ų447.6 Ų47.62%0.01825%0.246CC..SBendtrans-111.4120.8176.7-172.2-95.6000109.3E114 I117 V130 A245 P246 W250 Y253 M280 L284E114-F248 HydrophobicContact CB-CE2 4.38Å; E114-F248 HydrophobicContact CB-CZ 4.21Å; E114-F248 HydrophobicContact CG-CD1 4.32Å; E114-F248 HydrophobicContact CG-CD2 3.79Å; E114-F248 HydrophobicContact CG-CE1 4.2Å; E114-F248 HydrophobicContact CG-CE2 3.66Å; E114-F248 HydrophobicContact CG-CG 4.14Å; E114-F248 HydrophobicContact CG-CZ 3.88Å; I117-F248 HydrophobicContact CD1-CE2 3.68Å; I117-F248 HydrophobicContact CD1-CZ 4.12Å; V130-F248 HydrophobicContact CG2-CZ 4.36Å; A245-F248 HydrophobicContact CB-CB 4.47Å; A245-F248 PolarHBondContact O-N 2.97Å; P246-F248 PolarHBondContact O-N 2.84Å; F248-W250 VanDerWaalsContact C-N 3.34Å; F248-W250 AromaticContact CD1-CD2 3.67Å; F248-W250 HydrophobicContact CD1-CD2 3.67Å; F248-W250 AromaticContact CD1-CE2 3.67Å; F248-W250 AromaticContact CD1-CE3 3.92Å; F248-W250 HydrophobicContact CD1-CE3 3.92Å; F248-W250 HydrophobicContact CD1-CG 4.1Å; F248-W250 HydrophobicContact CD1-CH2 4.24Å; F248-W250 AromaticContact CD1-CZ2 3.99Å; F248-W250 HydrophobicContact CD1-CZ2 3.99Å; F248-W250 HydrophobicContact CD1-CZ3 4.19Å; F248-W250 HydrophobicContact CE1-CD2 4.17Å; F248-W250 AromaticContact CE1-CE3 3.95Å; F248-W250 HydrophobicContact CE1-CE3 3.95Å; F248-W250 HydrophobicContact CE1-CH2 4.38Å; F248-W250 HydrophobicContact CE1-CZ3 4.05Å; F248-W250 PolarHBondContact O-N 3.39Å; F248-Y253 HydrophobicContact CE1-CD1 4.1Å; F248-Y253 HydrophobicContact CE1-CD2 4.27Å; F248-Y253 AromaticContact CE1-CG 3.75Å; F248-Y253 HydrophobicContact CE1-CG 3.75Å; F248-Y253 HydrophobicContact CZ-CD2 4.14Å; F248-Y253 HydrophobicContact CZ-CG 4.08Å; F248-M280 HydrophobicContact CD2-CE 4.28Å; F248-M280 HydrophobicContact CG-CE 4.43Å; F248-L284 HydrophobicContact CD2-CD1 3.57Å; F248-L284 HydrophobicContact CE2-CD1 3.84Å
249D96.3Very high95.3Very high58 Ų5847.3 Ų47.331%0.3125%0.245SC..  trans-72.186179.2-168.5-25.6000111.7E114 H251 K252 Y253E114-D249 HydrophobicContact CB-CB 4.48Å; E114-D249 HydrophobicContact CG-CB 3.99Å; E114-D249 PolarHBondContact OE1-N 3.43Å; D249-H251 PolarHBondContact O-N 2.8Å; D249-H251 PolarHBondContact OD1-N 2.89Å; D249-H251 VanDerWaalsContact OD1-N 3.16Å; D249-K252 HydrophobicContact CB-CB 4.2Å; D249-K252 HydrophobicContact CB-CD 4.25Å; D249-K252 HydrophobicContact CB-CG 4.35Å; D249-K252 PolarHBondContact O-N 3.2Å; D249-K252 PolarHBondContact OD1-N 2.8Å; D249-K252 WeakPolarHBondContact OD2-CD 3.27Å; D249-K252 WeakPolarHBondContact OD2-CE 3.31Å; D249-K252 VanDerWaalsContact OD2-CG 3.29Å; D249-K252 WeakPolarHBondContact OD2-CG 3.28Å; D249-Y253 PolarHBondContact O-N 3.23Å
250W95.4Very high95.3Very high4 Ų444.7 Ų44.72%0.01523%0.232CC..Hα-helixtrans-62.2-27.3179.3-68.497.9000113.6V130 L148 F238 L241 V242 A245 F248 Y253 A254 F277V130-W250 HydrophobicContact CG2-CH2 4.5Å; L148-W250 HydrophobicContact CD1-CH2 4.36Å; L148-W250 HydrophobicContact CD1-CZ3 3.88Å; F238-W250 HydrophobicContact CE2-CB 3.91Å; F238-W250 HydrophobicContact CZ-CB 3.84Å; L241-W250 HydrophobicContact CD1-CD2 4.41Å; L241-W250 HydrophobicContact CD1-CE3 4.38Å; L241-W250 HydrophobicContact CD1-CH2 3.62Å; L241-W250 HydrophobicContact CD1-CZ2 3.64Å; L241-W250 HydrophobicContact CD1-CZ3 4.02Å; L241-W250 HydrophobicContact CD2-CD2 3.72Å; L241-W250 HydrophobicContact CD2-CE3 3.37Å; L241-W250 HydrophobicContact CD2-CG 4.43Å; L241-W250 HydrophobicContact CD2-CH2 4.08Å; L241-W250 HydrophobicContact CD2-CZ2 4.38Å; L241-W250 HydrophobicContact CD2-CZ3 3.58Å; L241-W250 HydrophobicContact CG-CD2 3.63Å; L241-W250 HydrophobicContact CG-CE3 3.77Å; L241-W250 HydrophobicContact CG-CG 4.3Å; L241-W250 HydrophobicContact CG-CH2 3.91Å; L241-W250 HydrophobicContact CG-CZ2 3.78Å; L241-W250 HydrophobicContact CG-CZ3 3.91Å; L241-W250 PolarHBondContact O-NE1 2.99Å; V242-W250 HydrophobicContact CG2-CB 4.02Å; V242-W250 HydrophobicContact CG2-CG 4.25Å; A245-W250 HydrophobicContact CB-CZ2 4.01Å; A245-W250 PolarHBondContact O-NE1 2.81Å; A245-W250 VanDerWaalsContact O-NE1 3.09Å; F248-W250 VanDerWaalsContact C-N 3.34Å; F248-W250 AromaticContact CD1-CD2 3.67Å; F248-W250 HydrophobicContact CD1-CD2 3.67Å; F248-W250 AromaticContact CD1-CE2 3.67Å; F248-W250 AromaticContact CD1-CE3 3.92Å; F248-W250 HydrophobicContact CD1-CE3 3.92Å; F248-W250 HydrophobicContact CD1-CG 4.1Å; F248-W250 HydrophobicContact CD1-CH2 4.24Å; F248-W250 AromaticContact CD1-CZ2 3.99Å; F248-W250 HydrophobicContact CD1-CZ2 3.99Å; F248-W250 HydrophobicContact CD1-CZ3 4.19Å; F248-W250 HydrophobicContact CE1-CD2 4.17Å; F248-W250 AromaticContact CE1-CE3 3.95Å; F248-W250 HydrophobicContact CE1-CE3 3.95Å; F248-W250 HydrophobicContact CE1-CH2 4.38Å; F248-W250 HydrophobicContact CE1-CZ3 4.05Å; F248-W250 PolarHBondContact O-N 3.39Å; W250-Y253 AromaticContact CE3-CD1 3.83Å; W250-Y253 HydrophobicContact CE3-CD1 3.83Å; W250-Y253 HydrophobicContact CE3-CE1 4.36Å; W250-Y253 AromaticContact CZ3-CD1 3.96Å; W250-Y253 HydrophobicContact CZ3-CD1 3.96Å; W250-Y253 HydrophobicContact CZ3-CE1 4.05Å; W250-A254 WeakPolarHBondContact O-CB 3.39Å; W250-A254 PolarHBondContact O-N 2.75Å; W250-F277 AromaticContact CH2-CD1 3.87Å; W250-F277 HydrophobicContact CH2-CD1 3.87Å; W250-F277 HydrophobicContact CH2-CE1 4.21Å; W250-F277 HydrophobicContact CZ2-CD1 4.3Å
251H94.8Very high95.1Very high84 Ų8445 Ų4539%0.38923%0.234SC..Hα-helixtrans-70.8-45.1177.6-71.5-87.8000110.6F238 D249 A254 K255 E264F238-H251 AromaticContact CE1-CE1 3.54Å; F238-H251 AromaticContact CE1-ND1 3.7Å; F238-H251 AromaticContact CE1-NE2 3.88Å; D249-H251 PolarHBondContact O-N 2.8Å; D249-H251 PolarHBondContact OD1-N 2.89Å; D249-H251 VanDerWaalsContact OD1-N 3.16Å; H251-A254 PolarHBondContact O-N 2.95Å; H251-K255 VanDerWaalsContact O-CB 3.28Å; H251-K255 WeakPolarHBondContact O-CB 3.41Å; H251-K255 PolarHBondContact O-N 3.03Å; H251-E264 IonicContact CE1-OE1 2.98Å; H251-E264 IonicContact ND1-OE1 2.75Å; H251-E264 PolarHBondContact ND1-OE1 2.92Å
252K95.9Very high94.9Very high78 Ų7847.7 Ų47.734%0.33925%0.245SC..Hα-helixtrans-62-44.8173.4-74.5-176.2-170.9-172.90111.9E112 E114 D249 K255 S256E112-K252 IonicContact OE1-NZ 2.8Å; E112-K252 PolarHBondContact OE1-NZ 3.3Å; E114-K252 HydrophobicContact CB-CB 4.23Å; D249-K252 HydrophobicContact CB-CB 4.2Å; D249-K252 HydrophobicContact CB-CD 4.25Å; D249-K252 HydrophobicContact CB-CG 4.35Å; D249-K252 PolarHBondContact O-N 3.2Å; D249-K252 PolarHBondContact OD1-N 2.8Å; D249-K252 WeakPolarHBondContact OD2-CD 3.27Å; D249-K252 WeakPolarHBondContact OD2-CE 3.31Å; D249-K252 VanDerWaalsContact OD2-CG 3.29Å; D249-K252 WeakPolarHBondContact OD2-CG 3.28Å; K252-K255 PolarHBondContact O-N 3.07Å; K252-S256 WeakPolarHBondContact O-CB 3.49Å; K252-S256 PolarHBondContact O-N 3.15Å; K252-S256 PolarHBondContact O-OG 3.07Å
253Y96.6Very high94.6Very high3 Ų346.4 Ų46.41%0.01224%0.237CC..Hα-helixtrans-57.9-52.4175.7175.8-114.2000111.6I117 V130 L148 F248 D249 W250 K255 S256 M257I117-Y253 HydrophobicContact CG2-CD2 4.24Å; I117-Y253 HydrophobicContact CG2-CE2 3.85Å; V130-Y253 HydrophobicContact CG1-CE1 4.12Å; V130-Y253 VanDerWaalsContact CG1-OH 3.26Å; V130-Y253 WeakPolarHBondContact CG1-OH 3.11Å; L148-Y253 HydrophobicContact CD2-CE1 4.42Å; F248-Y253 HydrophobicContact CE1-CD1 4.1Å; F248-Y253 HydrophobicContact CE1-CD2 4.27Å; F248-Y253 AromaticContact CE1-CG 3.75Å; F248-Y253 HydrophobicContact CE1-CG 3.75Å; F248-Y253 HydrophobicContact CZ-CD2 4.14Å; F248-Y253 HydrophobicContact CZ-CG 4.08Å; D249-Y253 PolarHBondContact O-N 3.23Å; W250-Y253 AromaticContact CE3-CD1 3.83Å; W250-Y253 HydrophobicContact CE3-CD1 3.83Å; W250-Y253 HydrophobicContact CE3-CE1 4.36Å; W250-Y253 AromaticContact CZ3-CD1 3.96Å; W250-Y253 HydrophobicContact CZ3-CD1 3.96Å; W250-Y253 HydrophobicContact CZ3-CE1 4.05Å; Y253-K255 VanDerWaalsContact C-N 3.34Å; Y253-K255 PolarHBondContact O-N 2.83Å; Y253-S256 PolarHBondContact O-N 3.34Å; Y253-S256 PolarHBondContact O-OG 3.16Å; Y253-M257 HydrophobicContact CD1-CE 3.5Å; Y253-M257 VanDerWaalsContact CD1-CE 3.5Å; Y253-M257 HydrophobicContact CD1-SD 4.45Å; Y253-M257 HydrophobicContact CD2-CE 4.38Å; Y253-M257 HydrophobicContact CD2-SD 4.46Å; Y253-M257 HydrophobicContact CE1-CE 3.1Å; Y253-M257 HydrophobicContact CE1-SD 3.75Å; Y253-M257 HydrophobicContact CE2-CE 4.03Å; Y253-M257 HydrophobicContact CE2-CG 4.24Å; Y253-M257 HydrophobicContact CE2-SD 3.71Å; Y253-M257 HydrophobicContact CG-CE 4.14Å; Y253-M257 PolarHBondContact O-N 2.85Å; Y253-M257 VanDerWaalsContact O-N 3.17Å; Y253-M257 PolarHBondContact OH-SD 3.12Å
254A95.2Very high93.8Very high1 Ų145.3 Ų45.31%0.00823%0.232CC..Hα-helixtrans-56.6-46177.800000112.4F238 W250 H251 S256 M257 T258 L259 E260 L263F238-A254 HydrophobicContact CE2-CB 4.31Å; F238-A254 HydrophobicContact CZ-CB 4.39Å; W250-A254 WeakPolarHBondContact O-CB 3.39Å; W250-A254 PolarHBondContact O-N 2.75Å; H251-A254 PolarHBondContact O-N 2.95Å; A254-S256 PolarHBondContact O-N 2.66Å; A254-M257 CarbonylContact O-C 3.52Å; A254-M257 PolarHBondContact O-N 3.24Å; A254-T258 PolarHBondContact O-N 2.89Å; A254-L259 PolarHBondContact O-N 2.97Å; A254-E260 HydrophobicContact CB-CB 4.48Å; A254-L263 HydrophobicContact CB-CD1 3.67Å
255K96.1Very high93Very high142 Ų14253.3 Ų53.362%0.61726%0.261SS*.Hα-helixtrans-61.1-43.6177.6-175.3176.5-179177.90112.7H251 K252 Y253 M257 T258 E260H251-K255 VanDerWaalsContact O-CB 3.28Å; H251-K255 WeakPolarHBondContact O-CB 3.41Å; H251-K255 PolarHBondContact O-N 3.03Å; K252-K255 PolarHBondContact O-N 3.07Å; Y253-K255 VanDerWaalsContact C-N 3.34Å; Y253-K255 PolarHBondContact O-N 2.83Å; K255-M257 PolarHBondContact O-N 2.49Å; K255-T258 PolarHBondContact O-N 3.13Å; K255-E260 WeakPolarHBondContact CA-OE2 3.24Å
256S96.2Very high91.8Very high15 Ų1560.7 Ų60.711%0.10530%0.3CS..Hα-helixtrans-65.5-24.9178.672.10000113.2G118 K252 Y253 A254G118-S256 VanDerWaalsContact CA-OG 3.24Å; G118-S256 WeakPolarHBondContact CA-OG 3.25Å; K252-S256 WeakPolarHBondContact O-CB 3.49Å; K252-S256 PolarHBondContact O-N 3.15Å; K252-S256 PolarHBondContact O-OG 3.07Å; Y253-S256 PolarHBondContact O-N 3.34Å; Y253-S256 PolarHBondContact O-OG 3.16Å; A254-S256 PolarHBondContact O-N 2.66Å
257M95.3Very high90.9Very high0 Ų056.6 Ų56.60%028%0.275CS..THydrogen-bonded Turntrans-87.6-1.5172.6-64.6-170.5-62.300113.9W121 R122 P132 Y253 A254 K255 L259W121-M257 HydrophobicContact CE3-CB 4.37Å; W121-M257 HydrophobicContact CE3-CG 3.95Å; W121-M257 HydrophobicContact CE3-SD 3.78Å; W121-M257 HydrophobicContact CZ3-CB 4.22Å; W121-M257 HydrophobicContact CZ3-CG 4.27Å; W121-M257 HydrophobicContact CZ3-SD 4.03Å; R122-M257 VanDerWaalsContact CD-O 3.26Å; R122-M257 WeakPolarHBondContact CD-O 3.47Å; R122-M257 PolarHBondContact NE-O 2.85Å; P132-M257 HydrophobicContact CB-SD 4.46Å; P132-M257 HydrophobicContact CG-SD 4.3Å; Y253-M257 HydrophobicContact CD1-CE 3.5Å; Y253-M257 VanDerWaalsContact CD1-CE 3.5Å; Y253-M257 HydrophobicContact CD1-SD 4.45Å; Y253-M257 HydrophobicContact CD2-CE 4.38Å; Y253-M257 HydrophobicContact CD2-SD 4.46Å; Y253-M257 HydrophobicContact CE1-CE 3.1Å; Y253-M257 HydrophobicContact CE1-SD 3.75Å; Y253-M257 HydrophobicContact CE2-CE 4.03Å; Y253-M257 HydrophobicContact CE2-CG 4.24Å; Y253-M257 HydrophobicContact CE2-SD 3.71Å; Y253-M257 HydrophobicContact CG-CE 4.14Å; Y253-M257 PolarHBondContact O-N 2.85Å; Y253-M257 VanDerWaalsContact O-N 3.17Å; Y253-M257 PolarHBondContact OH-SD 3.12Å; A254-M257 CarbonylContact O-C 3.52Å; A254-M257 PolarHBondContact O-N 3.24Å; K255-M257 PolarHBondContact O-N 2.49Å; M257-L259 VanDerWaalsContact C-N 3.26Å; M257-L259 HydrophobicContact CB-CB 4.33Å; M257-L259 HydrophobicContact CB-CD1 4.06Å; M257-L259 HydrophobicContact CB-CG 3.93Å; M257-L259 HydrophobicContact CE-CD1 4.02Å; M257-L259 PolarHBondContact O-N 3Å; M257-L259 HydrophobicContact SD-CD1 4.33Å
258T95.2Very high90.8Very high78 Ų7856.4 Ų56.448%0.47927%0.274SS..THydrogen-bonded Turntrans5737.3-171.162.10000112.9R122 A254 K255 E260R122-T258 PolarHBondContact NE-OG1 3.28Å; A254-T258 PolarHBondContact O-N 2.89Å; K255-T258 PolarHBondContact O-N 3.13Å; T258-E260 VanDerWaalsContact C-OE2 3.24Å; T258-E260 VanDerWaalsContact CA-OE2 3.29Å; T258-E260 WeakPolarHBondContact CA-OE2 3.46Å
259L94.5Very high90.7Very high4 Ų456.2 Ų56.22%0.02127%0.273CS..  trans-119.46.4-177.5-63.3-175.9000113.5W121 L146 A254 M257 D261 Y262 L263 V468 L471W121-L259 HydrophobicContact CZ3-CD1 4.35Å; L146-L259 HydrophobicContact CD1-CD1 4.25Å; L146-L259 HydrophobicContact CD2-CD1 3.91Å; A254-L259 PolarHBondContact O-N 2.97Å; M257-L259 VanDerWaalsContact C-N 3.26Å; M257-L259 HydrophobicContact CB-CB 4.33Å; M257-L259 HydrophobicContact CB-CD1 4.06Å; M257-L259 HydrophobicContact CB-CG 3.93Å; M257-L259 HydrophobicContact CE-CD1 4.02Å; M257-L259 PolarHBondContact O-N 3Å; M257-L259 HydrophobicContact SD-CD1 4.33Å; L259-D261 PolarHBondContact O-N 3.08Å; L259-Y262 PolarHBondContact O-N 3.25Å; L259-L263 HydrophobicContact CB-CD1 4.41Å; L259-L263 WeakPolarHBondContact O-CG 3.48Å; L259-L263 PolarHBondContact O-N 3.01Å; L259-V468 HydrophobicContact CD2-CG1 3.83Å; L259-V468 HydrophobicContact CD2-CG2 4.49Å; L259-L471 HydrophobicContact CD2-CD2 3.84Å
260E92.4Very high90.6Very high57 Ų5753.5 Ų53.527%0.26626%0.258SS..Hα-helixtrans-56.9-46.8179.164.3-84.6-146.400111.8A254 K255 T258 Y262 L263 E264A254-E260 HydrophobicContact CB-CB 4.48Å; K255-E260 WeakPolarHBondContact CA-OE2 3.24Å; T258-E260 VanDerWaalsContact C-OE2 3.24Å; T258-E260 VanDerWaalsContact CA-OE2 3.29Å; T258-E260 WeakPolarHBondContact CA-OE2 3.46Å; E260-Y262 VanDerWaalsContact C-N 3.31Å; E260-Y262 PolarHBondContact O-N 3.06Å; E260-L263 PolarHBondContact O-N 3Å; E260-E264 VanDerWaalsContact O-CB 3.29Å; E260-E264 WeakPolarHBondContact O-CB 3.09Å; E260-E264 VanDerWaalsContact O-CG 3.3Å; E260-E264 WeakPolarHBondContact O-CG 3.43Å; E260-E264 PolarHBondContact O-N 3.05Å
261D89.5Confident90.7Very high91 Ų9153.3 Ų53.349%0.48726%0.258SS..Hα-helixtrans-61.3-39.9178.9-96.5-46.1000112L259 R265L259-D261 PolarHBondContact O-N 3.08Å; D261-R265 VanDerWaalsContact O-CB 3.26Å; D261-R265 WeakPolarHBondContact O-CB 3.16Å; D261-R265 WeakPolarHBondContact O-CD 3.28Å; D261-R265 WeakPolarHBondContact O-CG 3.46Å; D261-R265 PolarHBondContact O-N 2.73Å; D261-R265 IonicContact OD1-CZ 3.3Å; D261-R265 IonicContact OD1-NE 3.53Å; D261-R265 PolarHBondContact OD1-NE 2.99Å; D261-R265 VanDerWaalsContact OD1-NE 3.16Å; D261-R265 IonicContact OD1-NH2 3.53Å; D261-R265 PolarHBondContact OD1-NH2 3.25Å; D261-R265 IonicContact OD2-NH2 2.93Å
262Y90.2Very high90.7Very high58 Ų5849.6 Ų49.623%0.22724%0.241CC..Hα-helixtrans-66.5-48.3178171.8-98.4000111L146 L259 E260 G267 S268 L471L146-Y262 HydrophobicContact CB-CE1 4.19Å; L259-Y262 PolarHBondContact O-N 3.25Å; E260-Y262 VanDerWaalsContact C-N 3.31Å; E260-Y262 PolarHBondContact O-N 3.06Å; Y262-G267 WeakPolarHBondContact O-CA 3.37Å; Y262-G267 PolarHBondContact O-N 2.87Å; Y262-G267 VanDerWaalsContact O-N 3.1Å; Y262-S268 PolarHBondContact OH-O 3.34Å; Y262-L471 HydrophobicContact CD1-CD2 3.5Å; Y262-L471 VanDerWaalsContact CD1-CD2 3.5Å; Y262-L471 HydrophobicContact CD1-CG 4.29Å; Y262-L471 HydrophobicContact CD2-CD2 3.56Å; Y262-L471 HydrophobicContact CD2-CG 3.72Å; Y262-L471 HydrophobicContact CE1-CD1 4.12Å; Y262-L471 HydrophobicContact CE1-CD2 3.7Å; Y262-L471 HydrophobicContact CE1-CG 4.09Å; Y262-L471 HydrophobicContact CE2-CD1 4Å; Y262-L471 HydrophobicContact CE2-CD2 3.76Å; Y262-L471 HydrophobicContact CE2-CG 3.49Å; Y262-L471 VanDerWaalsContact CE2-CG 3.49Å; Y262-L471 HydrophobicContact CG-CD2 3.41Å; Y262-L471 VanDerWaalsContact CG-CD2 3.41Å; Y262-L471 HydrophobicContact CG-CG 4.1Å
263L88.3Confident90.6Very high7 Ų746.4 Ų46.44%0.03723%0.23CC..Hα-helixtrans-72.2-36.3-175.2-67.8174.4000112.5L146 F238 A254 L259 E260 G267 V269L146-L263 HydrophobicContact CD2-CD2 4.23Å; F238-L263 HydrophobicContact CB-CB 4.32Å; F238-L263 HydrophobicContact CD2-CB 3.7Å; F238-L263 HydrophobicContact CD2-CD1 3.85Å; F238-L263 HydrophobicContact CD2-CD2 4.29Å; F238-L263 HydrophobicContact CD2-CG 4.15Å; F238-L263 HydrophobicContact CE2-CB 4.13Å; F238-L263 HydrophobicContact CE2-CD1 3.79Å; F238-L263 HydrophobicContact CE2-CG 4.5Å; F238-L263 HydrophobicContact CG-CB 3.99Å; A254-L263 HydrophobicContact CB-CD1 3.67Å; L259-L263 HydrophobicContact CB-CD1 4.41Å; L259-L263 WeakPolarHBondContact O-CG 3.48Å; L259-L263 PolarHBondContact O-N 3.01Å; E260-L263 PolarHBondContact O-N 3Å; L263-G267 PolarHBondContact O-N 3.08Å; L263-V269 HydrophobicContact CD2-CG1 3.31Å
264E77.8Confident90.5Very high114 Ų11452.3 Ų52.353%0.53326%0.256SS..Hα-helixtrans-77-31.1-178.9-69.6-178.2172.300113.2H251 E260 N266H251-E264 IonicContact CE1-OE1 2.98Å; H251-E264 IonicContact ND1-OE1 2.75Å; H251-E264 PolarHBondContact ND1-OE1 2.92Å; E260-E264 VanDerWaalsContact O-CB 3.29Å; E260-E264 WeakPolarHBondContact O-CB 3.09Å; E260-E264 VanDerWaalsContact O-CG 3.3Å; E260-E264 WeakPolarHBondContact O-CG 3.43Å; E260-E264 PolarHBondContact O-N 3.05Å; E264-N266 PolarHBondContact O-N 2.9Å
265R78.8Confident90.5Very high182 Ų18261 Ų6169%0.68729%0.288SS*.THydrogen-bonded Turntrans-8029.6-177.6-67177-168.5-154.57.8114.7D261D261-R265 VanDerWaalsContact O-CB 3.26Å; D261-R265 WeakPolarHBondContact O-CB 3.16Å; D261-R265 WeakPolarHBondContact O-CD 3.28Å; D261-R265 WeakPolarHBondContact O-CG 3.46Å; D261-R265 PolarHBondContact O-N 2.73Å; D261-R265 IonicContact OD1-CZ 3.3Å; D261-R265 IonicContact OD1-NE 3.53Å; D261-R265 PolarHBondContact OD1-NE 2.99Å; D261-R265 VanDerWaalsContact OD1-NE 3.16Å; D261-R265 IonicContact OD1-NH2 3.53Å; D261-R265 PolarHBondContact OD1-NH2 3.25Å; D261-R265 IonicContact OD2-NH2 2.93Å
266N70.8Confident90.5Very high157 Ų15754.3 Ų54.384%0.8426%0.259SS*.THydrogen-bonded Turntrans78.727.2-170.1-50.3-51.2000115.3E264 S268E264-N266 PolarHBondContact O-N 2.9Å; N266-S268 PolarHBondContact O-N 3.28Å
267G78.9Confident90.6Very high8 Ų853.6 Ų53.68%0.08225%0.254CS..  trans-60.1134.1171.600000111.6Y262 L263Y262-G267 WeakPolarHBondContact O-CA 3.37Å; Y262-G267 PolarHBondContact O-N 2.87Å; Y262-G267 VanDerWaalsContact O-N 3.1Å; L263-G267 PolarHBondContact O-N 3.08Å
268S90.9Very high90.6Very high40 Ų4058.3 Ų58.328%0.2828%0.276SS..EExtended strand (participates in β ladder)trans-97.6145.5167.7-62.20000109.5I145 K235 I236 Y262 N266I145-S268 WeakPolarHBondContact CG1-O 3.47Å; K235-S268 VanDerWaalsContact CE-CB 3.49Å; I236-S268 WeakPolarHBondContact O-CA 3.29Å; Y262-S268 PolarHBondContact OH-O 3.34Å; N266-S268 PolarHBondContact O-N 3.28Å
269V94.7Very high90.7Very high0 Ų057.5 Ų57.50%027%0.267CS..EExtended strand (participates in β ladder)trans-116.2150.8168.4-57.90000109.8L146 L148 K235 I236 L241 L263L146-V269 HydrophobicContact CB-CG1 4.37Å; L146-V269 HydrophobicContact CD2-CG1 3.95Å; L146-V269 HydrophobicContact CG-CG1 4.39Å; L146-V269 CarbonylContact O-C 3.56Å; L146-V269 WeakPolarHBondContact O-CA 2.81Å; L148-V269 HydrophobicContact CD1-CG2 4.45Å; K235-V269 WeakPolarHBondContact CA-O 3.49Å; I236-V269 HydrophobicContact CD1-CG2 4.27Å; I236-V269 HydrophobicContact CG1-CG2 3.67Å; I236-V269 PolarHBondContact N-O 3.41Å; I236-V269 PolarHBondContact O-N 3.07Å; L241-V269 HydrophobicContact CD2-CG2 4.3Å; L263-V269 HydrophobicContact CD2-CG1 3.31Å
270V96.2Very high90.9Very high0 Ų057.4 Ų57.40%027%0.266CS..EExtended strand (participates in β ladder)trans-98.7111.4168.7-174.30000108.7W139 I145 L146 Y147 L148 L233W139-V270 HydrophobicContact CH2-CG1 4.05Å; W139-V270 HydrophobicContact CZ3-CB 4.48Å; W139-V270 HydrophobicContact CZ3-CG1 3.74Å; W139-V270 HydrophobicContact CZ3-CG2 3.9Å; I145-V270 HydrophobicContact CD1-CG2 3.93Å; I145-V270 HydrophobicContact CG1-CG2 4.37Å; I145-V270 HydrophobicContact CG2-CG2 3.94Å; L146-V270 PolarHBondContact O-N 3.44Å; Y147-V270 CarbonylContact C-O 3.58Å; Y147-V270 VanDerWaalsContact CA-O 3.29Å; Y147-V270 WeakPolarHBondContact CA-O 3.26Å; Y147-V270 HydrophobicContact CD1-CB 3.55Å; Y147-V270 HydrophobicContact CD1-CG1 3.6Å; Y147-V270 HydrophobicContact CD1-CG2 4.4Å; Y147-V270 HydrophobicContact CD2-CB 4.33Å; Y147-V270 HydrophobicContact CE1-CB 3.48Å; Y147-V270 VanDerWaalsContact CE1-CB 3.48Å; Y147-V270 HydrophobicContact CE1-CG1 3.28Å; Y147-V270 HydrophobicContact CE1-CG2 3.98Å; Y147-V270 HydrophobicContact CE2-CB 4.28Å; Y147-V270 HydrophobicContact CE2-CG2 4.15Å; Y147-V270 HydrophobicContact CG-CB 3.96Å; Y147-V270 HydrophobicContact CG-CG1 4.5Å; L148-V270 PolarHBondContact N-O 2.86Å; L233-V270 HydrophobicContact CB-CG1 4.2Å; L233-V270 HydrophobicContact CD2-CG1 4.18Å
271L96.2Very high91.1Very high1 Ų154.7 Ų54.71%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-89.6123.2178.2-161.270.8000110.1L148 R234 I236 L241 I244 K274 F277L148-L271 HydrophobicContact CB-CD1 4.02Å; L148-L271 HydrophobicContact CD1-CD1 4.49Å; R234-L271 PolarHBondContact N-O 3.44Å; R234-L271 PolarHBondContact O-N 3.41Å; I236-L271 HydrophobicContact CD1-CB 4.07Å; I236-L271 HydrophobicContact CD1-CD2 3.95Å; I236-L271 HydrophobicContact CD1-CG 4.49Å; I236-L271 HydrophobicContact CG1-CB 4.44Å; L241-L271 HydrophobicContact CD1-CD1 3.73Å; I244-L271 HydrophobicContact CD1-CD2 3.68Å; I244-L271 HydrophobicContact CG2-CD2 4.42Å; L271-K274 HydrophobicContact CD2-CB 4.24Å; L271-F277 HydrophobicContact CD1-CD1 3.98Å; L271-F277 HydrophobicContact CD1-CD2 3.31Å; L271-F277 HydrophobicContact CD1-CE1 3.88Å; L271-F277 HydrophobicContact CD1-CE2 3.2Å; L271-F277 HydrophobicContact CD1-CG 3.71Å; L271-F277 HydrophobicContact CD1-CZ 3.5Å; L271-F277 HydrophobicContact CD2-CD2 3.81Å; L271-F277 HydrophobicContact CD2-CE2 4.39Å; L271-F277 HydrophobicContact CD2-CG 4.27Å; L271-F277 HydrophobicContact CG-CD2 3.53Å; L271-F277 HydrophobicContact CG-CE2 3.6Å; L271-F277 HydrophobicContact CG-CG 4.27Å; L271-F277 HydrophobicContact CG-CZ 4.38Å
272T95.3Very high91.5Very high6 Ų652.5 Ų52.54%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-95.499.9176.3-53.30000109.8L148 D149 R226 L232 L233L148-T272 PolarHBondContact O-N 3.36Å; D149-T272 WeakPolarHBondContact OD1-CB 3.46Å; D149-T272 VanDerWaalsContact OD1-CG2 3.3Å; D149-T272 WeakPolarHBondContact OD1-CG2 3.47Å; R226-T272 VanDerWaalsContact NH2-CG2 3.33Å; L232-T272 HydrophobicContact CD1-CG2 4.49Å; L232-T272 HydrophobicContact CD2-CG2 3.49Å; L232-T272 VanDerWaalsContact CD2-CG2 3.49Å; L232-T272 HydrophobicContact CG-CG2 3.76Å; L233-T272 HydrophobicContact CD2-CG2 3.84Å; L233-T272 VanDerWaalsContact CD2-OG1 3.28Å; L233-T272 WeakPolarHBondContact CD2-OG1 2.99Å
273G92.9Very high91.9Very high10 Ų1051.5 Ų51.510%0.10324%0.243CC..  trans79.977.6178.300000114.4L232 R275 Y276L232-G273 PolarHBondContact O-N 3.17Å; G273-R275 PolarHBondContact O-N 3.04Å; G273-Y276 WeakPolarHBondContact O-CB 3.39Å; G273-Y276 PolarHBondContact O-N 3.19Å
274K94.3Very high92.3Very high127 Ų12752 Ų5255%0.55225%0.246SC*.Hα-helixtrans-44.8-39.1177.6176.5176.1174.3171.20114.9I244 L271 Y276 F277 H278I244-K274 HydrophobicContact CD1-CD 4.27Å; I244-K274 HydrophobicContact CD1-CG 4.1Å; I244-K274 HydrophobicContact CG1-CD 4.41Å; I244-K274 HydrophobicContact CG1-CG 4.26Å; I244-K274 HydrophobicContact CG2-CG 4.15Å; L271-K274 HydrophobicContact CD2-CB 4.24Å; K274-Y276 VanDerWaalsContact C-N 3.32Å; K274-Y276 PolarHBondContact O-N 3.24Å; K274-F277 PolarHBondContact O-N 2.98Å; K274-H278 PolarHBondContact O-N 3.41Å
275R95.1Very high93.2Very high183 Ų18352.8 Ų52.869%0.69125%0.25SC*.Hα-helixtrans-60.1-41-178.9175.5178.7168.5167-0.5112.3G273 F277 H278 Q279G273-R275 PolarHBondContact O-N 3.04Å; R275-F277 PolarHBondContact O-N 3.01Å; R275-H278 PolarHBondContact O-N 3.19Å; R275-Q279 HydrophobicContact CG-CG 4.35Å; R275-Q279 VanDerWaalsContact NE-OE1 3.13Å; R275-Q279 WeakPolarHBondContact O-CG 3.29Å; R275-Q279 PolarHBondContact O-N 3.5Å; R275-Q279 VanDerWaalsContact O-N 3.11Å
276Y97.1Very high94.1Very high2 Ų252.2 Ų52.21%0.00825%0.252CS..Hα-helixtrans-57.6-52.2-179.5168.1-94.1000110.6L129 Q150 A151 L219 N220 G273 K274 H278 Q279 M280L129-Y276 WeakPolarHBondContact O-CE1 3.45Å; L129-Y276 PolarHBondContact O-OH 2.03Å; Q150-Y276 VanDerWaalsContact CA-CE1 3.47Å; Q150-Y276 HydrophobicContact CB-CD1 3.86Å; Q150-Y276 HydrophobicContact CB-CD2 3.71Å; Q150-Y276 HydrophobicContact CB-CE1 4.05Å; Q150-Y276 HydrophobicContact CB-CE2 3.87Å; Q150-Y276 HydrophobicContact CB-CG 3.71Å; A151-Y276 HydrophobicContact CB-CE2 4.4Å; A151-Y276 VanDerWaalsContact CB-OH 3.24Å; A151-Y276 WeakPolarHBondContact CB-OH 3.33Å; A151-Y276 PolarHBondContact N-OH 2.9Å; L219-Y276 HydrophobicContact CB-CD2 3.88Å; L219-Y276 HydrophobicContact CB-CE2 3.93Å; N220-Y276 WeakPolarHBondContact OD1-CE2 3.46Å; G273-Y276 WeakPolarHBondContact O-CB 3.39Å; G273-Y276 PolarHBondContact O-N 3.19Å; K274-Y276 VanDerWaalsContact C-N 3.32Å; K274-Y276 PolarHBondContact O-N 3.24Å; Y276-H278 VanDerWaalsContact C-N 3.35Å; Y276-H278 PolarHBondContact O-N 3.08Å; Y276-Q279 PolarHBondContact O-N 2.86Å; Y276-Q279 VanDerWaalsContact O-N 3.13Å; Y276-M280 HydrophobicContact CE1-CB 4.17Å; Y276-M280 HydrophobicContact CE1-CG 4.39Å; Y276-M280 HydrophobicContact CE1-SD 3.81Å; Y276-M280 WeakPolarHBondContact O-CB 3.42Å; Y276-M280 PolarHBondContact O-N 3.42Å
277F97.3Very high95.4Very high0 Ų045.6 Ų45.60%022%0.218CC..Hα-helixtrans-61-41.6-176.6-70.4-82.9000113.1V130 L148 D149 I244 A245 W250 L271 K274 R275 M280 G281V130-F277 HydrophobicContact CG1-CE1 4.09Å; V130-F277 HydrophobicContact CG2-CE1 4.26Å; L148-F277 HydrophobicContact CB-CE1 4.17Å; L148-F277 HydrophobicContact CB-CZ 3.85Å; L148-F277 WeakPolarHBondContact O-CZ 3.34Å; D149-F277 WeakPolarHBondContact O-CZ 3.28Å; I244-F277 HydrophobicContact CG2-CB 3.9Å; A245-F277 WeakPolarHBondContact CB-O 3.08Å; W250-F277 AromaticContact CH2-CD1 3.87Å; W250-F277 HydrophobicContact CH2-CD1 3.87Å; W250-F277 HydrophobicContact CH2-CE1 4.21Å; W250-F277 HydrophobicContact CZ2-CD1 4.3Å; L271-F277 HydrophobicContact CD1-CD1 3.98Å; L271-F277 HydrophobicContact CD1-CD2 3.31Å; L271-F277 HydrophobicContact CD1-CE1 3.88Å; L271-F277 HydrophobicContact CD1-CE2 3.2Å; L271-F277 HydrophobicContact CD1-CG 3.71Å; L271-F277 HydrophobicContact CD1-CZ 3.5Å; L271-F277 HydrophobicContact CD2-CD2 3.81Å; L271-F277 HydrophobicContact CD2-CE2 4.39Å; L271-F277 HydrophobicContact CD2-CG 4.27Å; L271-F277 HydrophobicContact CG-CD2 3.53Å; L271-F277 HydrophobicContact CG-CE2 3.6Å; L271-F277 HydrophobicContact CG-CG 4.27Å; L271-F277 HydrophobicContact CG-CZ 4.38Å; K274-F277 PolarHBondContact O-N 2.98Å; R275-F277 PolarHBondContact O-N 3.01Å; F277-M280 HydrophobicContact CD1-CE 4.15Å; F277-M280 PolarHBondContact O-N 3.17Å; F277-G281 PolarHBondContact O-N 2.77Å
278H96.7Very high96.2Very high99 Ų9949 Ų4946%0.45824%0.238SC..Hα-helixtrans-59.8-49.5174.1179.466.3000111.7I244 K274 R275 Y276 M280 G281 C282I244-H278 HydrophobicContact CG2-CB 4.41Å; I244-H278 WeakPolarHBondContact O-CA 3.31Å; I244-H278 PolarHBondContact O-ND1 2.66Å; I244-H278 VanDerWaalsContact O-ND1 3.14Å; K274-H278 PolarHBondContact O-N 3.41Å; R275-H278 PolarHBondContact O-N 3.19Å; Y276-H278 VanDerWaalsContact C-N 3.35Å; Y276-H278 PolarHBondContact O-N 3.08Å; H278-M280 VanDerWaalsContact C-N 3.34Å; H278-M280 PolarHBondContact O-N 3.46Å; H278-G281 PolarHBondContact O-N 2.96Å; H278-C282 PolarHBondContact O-N 2.98Å; H278-C282 PolarHBondContact O-SG 3.44Å
279Q97.7Very high96.5Very high61 Ų6150.6 Ų50.629%0.28524%0.24SC..Hα-helixtrans-68.2-33.8-179.6-64.2-173.6-68.500112.6L219 R275 Y276 C282 L283L219-Q279 HydrophobicContact CD1-CB 4.22Å; L219-Q279 HydrophobicContact CD2-CB 3.86Å; R275-Q279 HydrophobicContact CG-CG 4.35Å; R275-Q279 VanDerWaalsContact NE-OE1 3.13Å; R275-Q279 WeakPolarHBondContact O-CG 3.29Å; R275-Q279 PolarHBondContact O-N 3.5Å; R275-Q279 VanDerWaalsContact O-N 3.11Å; Y276-Q279 PolarHBondContact O-N 2.86Å; Y276-Q279 VanDerWaalsContact O-N 3.13Å; Q279-C282 PolarHBondContact O-N 3.47Å; Q279-L283 WeakPolarHBondContact O-CB 3.29Å; Q279-L283 PolarHBondContact O-N 3.11Å
280M98.1Very high96.5Very high2 Ų254.4 Ų54.41%0.0126%0.256CS..Hα-helixtrans-61.8-48.4173.9179.7-162.472.500110.5L129 V130 L219 F248 Y276 F277 H278 C282 L283 L284L129-M280 HydrophobicContact CB-SD 4.15Å; V130-M280 HydrophobicContact CG2-CE 3.75Å; V130-M280 HydrophobicContact CG2-SD 3.73Å; L219-M280 HydrophobicContact CD1-CB 4.39Å; F248-M280 HydrophobicContact CD2-CE 4.28Å; F248-M280 HydrophobicContact CG-CE 4.43Å; Y276-M280 HydrophobicContact CE1-CB 4.17Å; Y276-M280 HydrophobicContact CE1-CG 4.39Å; Y276-M280 HydrophobicContact CE1-SD 3.81Å; Y276-M280 WeakPolarHBondContact O-CB 3.42Å; Y276-M280 PolarHBondContact O-N 3.42Å; F277-M280 HydrophobicContact CD1-CE 4.15Å; F277-M280 PolarHBondContact O-N 3.17Å; H278-M280 VanDerWaalsContact C-N 3.34Å; H278-M280 PolarHBondContact O-N 3.46Å; M280-C282 VanDerWaalsContact C-N 3.31Å; M280-C282 PolarHBondContact O-N 3.31Å; M280-L283 WeakPolarHBondContact O-CB 3.41Å; M280-L283 PolarHBondContact O-N 2.96Å; M280-L283 VanDerWaalsContact O-N 3.09Å; M280-L284 HydrophobicContact CG-CD1 4.09Å; M280-L284 HydrophobicContact CG-CG 4.42Å; M280-L284 WeakPolarHBondContact O-CG 3.29Å; M280-L284 PolarHBondContact O-N 3.36Å
281G97.2Very high96.6Very high1 Ų155.7 Ų55.71%0.0126%0.263CS..Hα-helixtrans-55-46.8175.200000112.1F277 H278 L283 L284 E285F277-G281 PolarHBondContact O-N 2.77Å; H278-G281 PolarHBondContact O-N 2.96Å; G281-L283 VanDerWaalsContact C-N 3.34Å; G281-L283 PolarHBondContact O-N 3.09Å; G281-L284 PolarHBondContact O-N 3.47Å; G281-E285 PolarHBondContact O-N 3.48Å
282C97.4Very high96.7Very high44 Ų4455.9 Ų55.930%0.29726%0.264SS..Hα-helixtrans-65-32.8176.3-64.30000114.1H278 Q279 M280 K286H278-C282 PolarHBondContact O-N 2.98Å; H278-C282 PolarHBondContact O-SG 3.44Å; Q279-C282 PolarHBondContact O-N 3.47Å; M280-C282 VanDerWaalsContact C-N 3.31Å; M280-C282 PolarHBondContact O-N 3.31Å; C282-K286 WeakPolarHBondContact O-CG 3.28Å
283L98.1Very high96.8Very high37 Ų3755.6 Ų55.619%0.19426%0.263CS..Hα-helixtrans-69.7-45.3176.2176.763.4000110.3F212 V216 L219 Q279 M280 G281 K286 T287F212-L283 HydrophobicContact CE2-CD2 4.09Å; F212-L283 HydrophobicContact CE2-CG 4.14Å; V216-L283 HydrophobicContact CG2-CD2 3.93Å; L219-L283 HydrophobicContact CD1-CB 4.13Å; L219-L283 HydrophobicContact CD1-CD2 3.71Å; L219-L283 HydrophobicContact CG-CD2 4.47Å; Q279-L283 WeakPolarHBondContact O-CB 3.29Å; Q279-L283 PolarHBondContact O-N 3.11Å; M280-L283 WeakPolarHBondContact O-CB 3.41Å; M280-L283 PolarHBondContact O-N 2.96Å; M280-L283 VanDerWaalsContact O-N 3.09Å; G281-L283 VanDerWaalsContact C-N 3.34Å; G281-L283 PolarHBondContact O-N 3.09Å; L283-K286 PolarHBondContact O-N 2.91Å; L283-T287 PolarHBondContact O-N 2.98Å; L283-T287 PolarHBondContact O-OG1 3.14Å
284L97.3Very high97Very high17 Ų1755.2 Ų55.29%0.08926%0.258CS..Hα-helixtrans-64.9-41.7-178.9-68.9179.7000112.4L129 F212 F248 M280 G281 K286 T287 L292L129-L284 HydrophobicContact CD1-CD1 4.35Å; L129-L284 HydrophobicContact CD1-CD2 3.75Å; F212-L284 HydrophobicContact CZ-CD2 4.04Å; F248-L284 HydrophobicContact CD2-CD1 3.57Å; F248-L284 HydrophobicContact CE2-CD1 3.84Å; M280-L284 HydrophobicContact CG-CD1 4.09Å; M280-L284 HydrophobicContact CG-CG 4.42Å; M280-L284 WeakPolarHBondContact O-CG 3.29Å; M280-L284 PolarHBondContact O-N 3.36Å; G281-L284 PolarHBondContact O-N 3.47Å; L284-K286 PolarHBondContact O-N 3.22Å; L284-T287 PolarHBondContact O-N 3.45Å; L284-T287 VanDerWaalsContact O-N 3.11Å; L284-L292 HydrophobicContact CD2-CD1 4.11Å; L284-L292 HydrophobicContact CD2-CD2 3.49Å; L284-L292 VanDerWaalsContact CD2-CD2 3.49Å; L284-L292 HydrophobicContact CD2-CG 4.47Å
285E96.5Very high97.2Very high131 Ų13149.1 Ų49.161%0.61223%0.232SC*.Hα-helixtrans-56.9-34.2175.7-172.2178.7176.400113S247 G281S247-E285 WeakPolarHBondContact CB-OE2 3.42Å; S247-E285 PolarHBondContact OG-OE2 2.71Å; G281-E285 PolarHBondContact O-N 3.48Å
286K97Very high97.4Very high170 Ų17040.5 Ų40.574%0.73920%0.199SC*.Hα-helixtrans-89.9-10.6-178.6-65.5175.1-173.9177.40113.6C282 L283 L284C282-K286 WeakPolarHBondContact O-CG 3.28Å; L283-K286 PolarHBondContact O-N 2.91Å; L284-K286 PolarHBondContact O-N 3.22Å
287T97.9Very high97.4Very high19 Ų1940.4 Ų40.412%0.11720%0.199CC..SBendtrans-95124-172.9-58.10000110.2F212 L283 L284 K289 I291 L292F212-T287 HydrophobicContact CD2-CG2 3.74Å; F212-T287 HydrophobicContact CE2-CG2 3.74Å; L283-T287 PolarHBondContact O-N 2.98Å; L283-T287 PolarHBondContact O-OG1 3.14Å; L284-T287 PolarHBondContact O-N 3.45Å; L284-T287 VanDerWaalsContact O-N 3.11Å; T287-K289 PolarHBondContact O-N 3.33Å; T287-I291 HydrophobicContact CG2-CB 3.93Å; T287-I291 HydrophobicContact CG2-CG2 3.96Å; T287-L292 HydrophobicContact CG2-CD2 3.63Å; T287-L292 HydrophobicContact CG2-CG 3.81Å
288P96.9Very high97.5Very high79 Ų7940.4 Ų40.451%0.51320%0.199SC..  trans-54135.4173.7-26.533.7000112.3K290 I291 L292P288-K290 PolarHBondContact O-N 3.43Å; P288-K290 VanDerWaalsContact O-N 3.08Å; P288-I291 HydrophobicContact CB-CG1 4.43Å; P288-I291 HydrophobicContact CG-CD1 4.24Å; P288-I291 WeakPolarHBondContact O-CB 3.37Å; P288-I291 PolarHBondContact O-N 3.19Å; P288-L292 PolarHBondContact O-N 2.04Å
289K96.4Very high97.5Very high73 Ų7336.3 Ų36.332%0.31718%0.179SC..Hα-helixtrans-55.5-31.7-179-74.1-168.2-177.7-179.40113.6W106 E108 F111 P113 T287 I291 L292 A293W106-K289 HydrophobicContact CH2-CB 4.48Å; E108-K289 HydrophobicContact CG-CB 3.77Å; E108-K289 HydrophobicContact CG-CD 3.58Å; E108-K289 HydrophobicContact CG-CG 4.2Å; E108-K289 WeakPolarHBondContact OE1-CB 3.37Å; E108-K289 WeakPolarHBondContact OE1-CD 3.25Å; E108-K289 WeakPolarHBondContact OE1-CG 3.43Å; F111-K289 HydrophobicContact CD1-CB 4.17Å; P113-K289 HydrophobicContact CG-CG 4.33Å; T287-K289 PolarHBondContact O-N 3.33Å; K289-I291 VanDerWaalsContact C-N 3.34Å; K289-I291 PolarHBondContact O-N 3.18Å; K289-L292 PolarHBondContact O-N 3.05Å; K289-A293 WeakPolarHBondContact O-CB 3.4Å; K289-A293 PolarHBondContact O-N 3.22Å
290K95.8Very high97.5Very high80 Ų8033.4 Ų33.435%0.34817%0.166SC..Hα-helixtrans-58.9-42174.8-172.1176.3-63.6-168.60112.6P99 W106 P288 N294P99-K290 HydrophobicContact CB-CD 4.38Å; P99-K290 HydrophobicContact CB-CG 3.81Å; P99-K290 HydrophobicContact CG-CG 3.91Å; W106-K290 HydrophobicContact CH2-CB 4.48Å; W106-K290 HydrophobicContact CZ3-CB 4.07Å; W106-K290 HydrophobicContact CZ3-CG 4.38Å; P288-K290 PolarHBondContact O-N 3.43Å; P288-K290 VanDerWaalsContact O-N 3.08Å; K290-N294 WeakPolarHBondContact O-CB 3.05Å; K290-N294 PolarHBondContact O-N 3.24Å; K290-N294 PolarHBondContact O-ND2 3.08Å
291I97.6Very high97.5Very high28 Ų2833.3 Ų33.314%0.14417%0.165CC..Hα-helixtrans-66.9-43.2176.9-62.7-178.7000109.7E208 F212 T287 P288 K289 A293 N294 Y295E208-I291 HydrophobicContact CB-CD1 4.21Å; E208-I291 HydrophobicContact CB-CG1 4.31Å; E208-I291 HydrophobicContact CG-CD1 4.28Å; F212-I291 HydrophobicContact CB-CG2 3.84Å; F212-I291 HydrophobicContact CD2-CG2 4.35Å; F212-I291 HydrophobicContact CG-CG2 4.12Å; T287-I291 HydrophobicContact CG2-CB 3.93Å; T287-I291 HydrophobicContact CG2-CG2 3.96Å; P288-I291 HydrophobicContact CB-CG1 4.43Å; P288-I291 HydrophobicContact CG-CD1 4.24Å; P288-I291 WeakPolarHBondContact O-CB 3.37Å; P288-I291 PolarHBondContact O-N 3.19Å; K289-I291 VanDerWaalsContact C-N 3.34Å; K289-I291 PolarHBondContact O-N 3.18Å; I291-A293 PolarHBondContact O-N 2.96Å; I291-N294 PolarHBondContact O-N 3.47Å; I291-Y295 WeakPolarHBondContact O-CB 3.41Å; I291-Y295 PolarHBondContact O-N 2.88Å
292L97.9Very high97.5Very high5 Ų534.5 Ų34.53%0.02617%0.17CC..Hα-helixtrans-61.3-44.8177.2-61.8178.9000112.2F111 P113 F212 L284 T287 P288 K289 Y295 L296F111-L292 HydrophobicContact CE1-CB 3.91Å; F111-L292 HydrophobicContact CZ-CB 4.28Å; P113-L292 HydrophobicContact CB-CD1 4.08Å; P113-L292 HydrophobicContact CG-CD1 3.9Å; F212-L292 HydrophobicContact CD2-CD2 4.45Å; F212-L292 HydrophobicContact CE1-CD2 4.01Å; F212-L292 HydrophobicContact CE2-CD2 3.63Å; F212-L292 HydrophobicContact CZ-CD2 3.36Å; L284-L292 HydrophobicContact CD2-CD1 4.11Å; L284-L292 HydrophobicContact CD2-CD2 3.49Å; L284-L292 VanDerWaalsContact CD2-CD2 3.49Å; L284-L292 HydrophobicContact CD2-CG 4.47Å; T287-L292 HydrophobicContact CG2-CD2 3.63Å; T287-L292 HydrophobicContact CG2-CG 3.81Å; P288-L292 PolarHBondContact O-N 2.04Å; K289-L292 PolarHBondContact O-N 3.05Å; L292-Y295 PolarHBondContact O-N 3.39Å; L292-L296 WeakPolarHBondContact O-CB 3.47Å; L292-L296 WeakPolarHBondContact O-CG 3.38Å; L292-L296 PolarHBondContact O-N 3.14Å
293A97.8Very high97.4Very high0 Ų033.9 Ų33.90%016%0.164CC..Hα-helixtrans-61.9-46.2176.500000111.4P99 W106 F111 K289 I291 Y295 V297P99-A293 HydrophobicContact CG-CB 3.82Å; W106-A293 HydrophobicContact CH2-CB 4.11Å; W106-A293 HydrophobicContact CZ2-CB 3.5Å; W106-A293 VanDerWaalsContact CZ2-CB 3.5Å; F111-A293 HydrophobicContact CD1-CB 3.89Å; F111-A293 HydrophobicContact CD2-CB 3.85Å; F111-A293 HydrophobicContact CE1-CB 3.77Å; F111-A293 HydrophobicContact CE2-CB 3.76Å; F111-A293 HydrophobicContact CG-CB 3.92Å; F111-A293 HydrophobicContact CZ-CB 3.7Å; K289-A293 WeakPolarHBondContact O-CB 3.4Å; K289-A293 PolarHBondContact O-N 3.22Å; I291-A293 PolarHBondContact O-N 2.96Å; A293-Y295 PolarHBondContact O-N 3.48Å; A293-V297 VanDerWaalsContact O-CB 3.31Å; A293-V297 WeakPolarHBondContact O-CB 3.32Å; A293-V297 VanDerWaalsContact O-CG2 3.3Å; A293-V297 WeakPolarHBondContact O-CG2 3.48Å; A293-V297 PolarHBondContact O-N 3.05Å
294N97.8Very high97.2Very high1 Ų132.1 Ų32.11%0.00516%0.155CC..Hα-helixtrans-58.9-46.3176-84.2-23.8000112.3W98 P99 L100 Q205 I209 K290 I291 W298W98-N294 VanDerWaalsContact CD1-OD1 3.27Å; W98-N294 PolarHBondContact NE1-O 3.09Å; W98-N294 PolarHBondContact NE1-OD1 3.25Å; P99-N294 VanDerWaalsContact CB-OD1 3.3Å; P99-N294 WeakPolarHBondContact CB-OD1 3.31Å; P99-N294 WeakPolarHBondContact CD-OD1 3.44Å; P99-N294 WeakPolarHBondContact CG-OD1 3.03Å; L100-N294 PolarHBondContact N-OD1 3.13Å; Q205-N294 PolarHBondContact OE1-ND2 3.27Å; I209-N294 HydrophobicContact CD1-CB 4Å; I209-N294 HydrophobicContact CG1-CB 3.85Å; K290-N294 WeakPolarHBondContact O-CB 3.05Å; K290-N294 PolarHBondContact O-N 3.24Å; K290-N294 PolarHBondContact O-ND2 3.08Å; I291-N294 PolarHBondContact O-N 3.47Å; N294-W298 WeakPolarHBondContact O-CB 3.26Å; N294-W298 PolarHBondContact O-N 3.09Å
295Y98.5Very high97Very high0 Ų031.3 Ų31.30%015%0.15CC..Hα-helixtrans-64.4-54.9178.3169.4-102.4000112.1L129 I209 F212 E213 I291 L292 A293 V297 W298 R299L129-Y295 HydrophobicContact CD2-CE1 3.96Å; L129-Y295 HydrophobicContact CG-CE1 4.12Å; I209-Y295 HydrophobicContact CG2-CD2 4.25Å; F212-Y295 AromaticContact CD1-CD1 3.8Å; F212-Y295 HydrophobicContact CD1-CD1 3.8Å; F212-Y295 AromaticContact CD1-CD2 3.85Å; F212-Y295 HydrophobicContact CD1-CD2 3.85Å; F212-Y295 HydrophobicContact CD1-CE1 4.29Å; F212-Y295 HydrophobicContact CD1-CE2 4.35Å; F212-Y295 AromaticContact CD1-CG 3.55Å; F212-Y295 HydrophobicContact CD1-CG 3.55Å; F212-Y295 AromaticContact CE1-CD1 3.49Å; F212-Y295 HydrophobicContact CE1-CD1 3.49Å; F212-Y295 VanDerWaalsContact CE1-CD1 3.49Å; F212-Y295 HydrophobicContact CE1-CD2 4.35Å; F212-Y295 AromaticContact CE1-CE1 3.83Å; F212-Y295 HydrophobicContact CE1-CE1 3.83Å; F212-Y295 AromaticContact CE1-CG 3.78Å; F212-Y295 HydrophobicContact CE1-CG 3.78Å; E213-Y295 HydrophobicContact CB-CD2 4.36Å; E213-Y295 HydrophobicContact CB-CE2 3.89Å; E213-Y295 HydrophobicContact CG-CE2 3.9Å; I291-Y295 WeakPolarHBondContact O-CB 3.41Å; I291-Y295 PolarHBondContact O-N 2.88Å; L292-Y295 PolarHBondContact O-N 3.39Å; A293-Y295 PolarHBondContact O-N 3.48Å; Y295-V297 PolarHBondContact O-N 3.48Å; Y295-W298 WeakPolarHBondContact O-CB 3.36Å; Y295-W298 PolarHBondContact O-N 3.25Å; Y295-R299 HydrophobicContact CD1-CG 4.41Å; Y295-R299 HydrophobicContact CD2-CG 4.13Å; Y295-R299 HydrophobicContact CE1-CG 4.03Å; Y295-R299 HydrophobicContact CE2-CG 3.7Å; Y295-R299 HydrophobicContact CG-CG 4.46Å; Y295-R299 VanDerWaalsContact O-CG 3.32Å; Y295-R299 WeakPolarHBondContact O-CG 3.36Å; Y295-R299 PolarHBondContact O-N 3.08Å
296L98.4Very high96.8Very high1 Ų127 Ų271%0.00513%0.131CC..Hα-helixtrans-62.9-40.8-175-70.2-176.7000112.5F111 A116 I117 L120 T128 L129 L292 R299 L300F111-L296 HydrophobicContact CZ-CD1 3.99Å; A116-L296 HydrophobicContact CB-CD1 3.86Å; I117-L296 HydrophobicContact CD1-CD1 4.42Å; I117-L296 HydrophobicContact CG1-CD1 3.65Å; I117-L296 HydrophobicContact CG1-CD2 3.99Å; L120-L296 HydrophobicContact CD1-CB 3.99Å; L120-L296 HydrophobicContact CD1-CD2 3.98Å; L120-L296 HydrophobicContact CD1-CG 4.42Å; T128-L296 HydrophobicContact CG2-CD2 4.09Å; L129-L296 HydrophobicContact CD1-CD2 4.34Å; L292-L296 WeakPolarHBondContact O-CB 3.47Å; L292-L296 WeakPolarHBondContact O-CG 3.38Å; L292-L296 PolarHBondContact O-N 3.14Å; L296-R299 PolarHBondContact O-N 2.75Å; L296-L300 PolarHBondContact O-N 2.95Å
297V97.9Very high96.5Very high1 Ų120.1 Ų20.11%0.00610%0.101CC..Hα-helixtrans-69.1-39.4175.9174.80000111.3V92 L95 W98 A293 Y295 R299 L300 I301V92-V297 HydrophobicContact CB-CG1 4.36Å; V92-V297 HydrophobicContact CG1-CG1 3.96Å; V92-V297 HydrophobicContact CG2-CG1 3.81Å; L95-V297 HydrophobicContact CB-CG2 4.42Å; L95-V297 HydrophobicContact CD1-CG2 4.5Å; W98-V297 HydrophobicContact CB-CB 4.37Å; W98-V297 HydrophobicContact CB-CG1 3.74Å; W98-V297 HydrophobicContact CD2-CG1 4Å; W98-V297 HydrophobicContact CG-CB 4.06Å; W98-V297 HydrophobicContact CG-CG1 3.58Å; A293-V297 VanDerWaalsContact O-CB 3.31Å; A293-V297 WeakPolarHBondContact O-CB 3.32Å; A293-V297 VanDerWaalsContact O-CG2 3.3Å; A293-V297 WeakPolarHBondContact O-CG2 3.48Å; A293-V297 PolarHBondContact O-N 3.05Å; Y295-V297 PolarHBondContact O-N 3.48Å; V297-R299 VanDerWaalsContact C-N 3.33Å; V297-R299 PolarHBondContact O-N 3Å; V297-L300 WeakPolarHBondContact O-CB 3.31Å; V297-L300 PolarHBondContact O-N 3.28Å; V297-I301 HydrophobicContact CG1-CD1 3.75Å; V297-I301 HydrophobicContact CG1-CG1 4.31Å; V297-I301 WeakPolarHBondContact O-CG1 3.43Å; V297-I301 PolarHBondContact O-N 3.49Å
298W98.4Very high96.1Very high0 Ų019.3 Ų19.30%010%0.096CC..Hα-helixtrans-60.3-43173.7168.7-113.3000112W98 Y177 L180 I181 V184 I209 N294 Y295 L300 I301 F302 M305W98-W298 HydrophobicContact CH2-CE3 4.3Å; W98-W298 HydrophobicContact CZ2-CB 4.42Å; W98-W298 HydrophobicContact CZ2-CE3 4.29Å; Y177-W298 HydrophobicContact CD2-CZ2 4.27Å; Y177-W298 AromaticContact CE2-CE2 3.84Å; Y177-W298 AromaticContact CE2-CZ2 3.78Å; Y177-W298 HydrophobicContact CE2-CZ2 3.78Å; Y177-W298 AromaticContact CE2-NE1 3.29Å; Y177-W298 VanDerWaalsContact CE2-NE1 3.29Å; Y177-W298 AromaticContact CZ-CD1 3.98Å; Y177-W298 AromaticContact CZ-NE1 3.11Å; Y177-W298 PolarHBondContact OH-NE1 2.73Å; L180-W298 HydrophobicContact CD2-CH2 4.19Å; L180-W298 HydrophobicContact CD2-CZ2 4.24Å; L180-W298 HydrophobicContact CG-CH2 3.97Å; L180-W298 HydrophobicContact CG-CZ2 4.37Å; I181-W298 HydrophobicContact CB-CE3 4.44Å; I181-W298 HydrophobicContact CB-CH2 4.32Å; I181-W298 HydrophobicContact CB-CZ2 4.39Å; I181-W298 HydrophobicContact CB-CZ3 4.34Å; I181-W298 HydrophobicContact CD1-CD2 4.32Å; I181-W298 HydrophobicContact CD1-CG 4.49Å; I181-W298 HydrophobicContact CD1-CZ2 4.35Å; I181-W298 HydrophobicContact CG1-CD2 3.65Å; I181-W298 HydrophobicContact CG1-CE3 3.99Å; I181-W298 HydrophobicContact CG1-CG 4.29Å; I181-W298 HydrophobicContact CG1-CH2 3.76Å; I181-W298 HydrophobicContact CG1-CZ2 3.36Å; I181-W298 HydrophobicContact CG1-CZ3 4.04Å; I181-W298 HydrophobicContact CG2-CD2 4.44Å; I181-W298 HydrophobicContact CG2-CE3 4.23Å; I181-W298 HydrophobicContact CG2-CZ3 4.49Å; V184-W298 HydrophobicContact CB-CZ3 4.1Å; V184-W298 HydrophobicContact CG1-CZ3 4.07Å; V184-W298 HydrophobicContact CG2-CH2 4.44Å; V184-W298 HydrophobicContact CG2-CZ3 4.37Å; I209-W298 HydrophobicContact CD1-CB 4.2Å; I209-W298 HydrophobicContact CG2-CB 4.42Å; I209-W298 HydrophobicContact CG2-CG 4.23Å; N294-W298 WeakPolarHBondContact O-CB 3.26Å; N294-W298 PolarHBondContact O-N 3.09Å; Y295-W298 WeakPolarHBondContact O-CB 3.36Å; Y295-W298 PolarHBondContact O-N 3.25Å; W298-L300 VanDerWaalsContact C-N 3.27Å; W298-L300 PolarHBondContact O-N 3.3Å; W298-I301 HydrophobicContact CE3-CB 4.32Å; W298-I301 HydrophobicContact CE3-CG2 4.32Å; W298-I301 HydrophobicContact CZ3-CG2 4.12Å; W298-I301 PolarHBondContact O-N 2.94Å; W298-F302 HydrophobicContact CD2-CB 4.46Å; W298-F302 HydrophobicContact CH2-CB 4.29Å; W298-F302 HydrophobicContact CH2-CD2 4.03Å; W298-F302 HydrophobicContact CZ2-CB 3.93Å; W298-F302 AromaticContact CZ2-CD2 3.54Å; W298-F302 HydrophobicContact CZ2-CD2 3.54Å; W298-F302 HydrophobicContact CZ2-CE2 4.46Å; W298-F302 HydrophobicContact CZ2-CG 4.11Å; W298-F302 WeakPolarHBondContact O-CB 3.28Å; W298-F302 PolarHBondContact O-N 3.49Å; W298-M305 HydrophobicContact CH2-SD 4.37Å
299R98.1Very high95.7Very high12 Ų1216.9 Ų16.95%0.0458%0.079CC..Hα-helixtrans-56.9-42.6176.1-65.7-64.1-71.2113.20.5111.2L126 T128 F152 L153 A154 E213 Y295 L296 V297 D303L126-R299 HydrophobicContact CD2-CB 4.32Å; L126-R299 WeakPolarHBondContact CD2-O 3.37Å; T128-R299 HydrophobicContact CG2-CB 4.09Å; T128-R299 HydrophobicContact CG2-CG 4.34Å; F152-R299 PolarHBondContact O-NH2 2.69Å; L153-R299 VanDerWaalsContact C-NH2 3.29Å; L153-R299 PolarHBondContact O-NH2 3.42Å; A154-R299 VanDerWaalsContact CB-NH1 3.3Å; E213-R299 IonicContact OE1-NE 3.87Å; Y295-R299 HydrophobicContact CD1-CG 4.41Å; Y295-R299 HydrophobicContact CD2-CG 4.13Å; Y295-R299 HydrophobicContact CE1-CG 4.03Å; Y295-R299 HydrophobicContact CE2-CG 3.7Å; Y295-R299 HydrophobicContact CG-CG 4.46Å; Y295-R299 VanDerWaalsContact O-CG 3.32Å; Y295-R299 WeakPolarHBondContact O-CG 3.36Å; Y295-R299 PolarHBondContact O-N 3.08Å; L296-R299 PolarHBondContact O-N 2.75Å; V297-R299 VanDerWaalsContact C-N 3.33Å; V297-R299 PolarHBondContact O-N 3Å; R299-D303 PolarHBondContact O-N 3.5Å; R299-D303 VanDerWaalsContact O-N 3.15Å
300L97.5Very high95.4Very high0 Ų021.4 Ų21.40%09%0.094CC..Hα-helixtrans-61.6-51.8174.1178.964.4000112M91 L95 L120 Y124 L126 L296 V297 W298 F302 D303 Q304M91-L300 HydrophobicContact CB-CD2 4Å; M91-L300 HydrophobicContact CE-CD1 3.7Å; M91-L300 HydrophobicContact CE-CD2 4.13Å; M91-L300 HydrophobicContact CE-CG 4.21Å; L95-L300 HydrophobicContact CD1-CD2 3.65Å; L120-L300 HydrophobicContact CD2-CB 3.82Å; L120-L300 HydrophobicContact CD2-CD1 4.06Å; L120-L300 HydrophobicContact CD2-CD2 4.35Å; L120-L300 HydrophobicContact CD2-CG 4.3Å; Y124-L300 HydrophobicContact CD1-CD1 4.45Å; Y124-L300 HydrophobicContact CD2-CD1 3.72Å; Y124-L300 HydrophobicContact CD2-CD2 4.48Å; Y124-L300 HydrophobicContact CE2-CD1 4.27Å; Y124-L300 HydrophobicContact CE2-CD2 4.26Å; Y124-L300 HydrophobicContact CG-CD1 3.82Å; L126-L300 HydrophobicContact CD2-CB 4.3Å; L126-L300 HydrophobicContact CD2-CD1 4.35Å; L296-L300 PolarHBondContact O-N 2.95Å; V297-L300 WeakPolarHBondContact O-CB 3.31Å; V297-L300 PolarHBondContact O-N 3.28Å; W298-L300 VanDerWaalsContact C-N 3.27Å; W298-L300 PolarHBondContact O-N 3.3Å; L300-F302 VanDerWaalsContact C-N 3.3Å; L300-F302 PolarHBondContact O-N 2.93Å; L300-D303 PolarHBondContact O-N 2.93Å; L300-Q304 HydrophobicContact CD1-CG 4.09Å; L300-Q304 HydrophobicContact CG-CG 4.49Å; L300-Q304 VanDerWaalsContact O-CG 3.22Å; L300-Q304 WeakPolarHBondContact O-CG 3.37Å; L300-Q304 PolarHBondContact O-N 3.2Å; L300-Q304 VanDerWaalsContact O-N 3.16Å
301I97.5Very high95.2Very high0 Ų021 Ų210%09%0.09CC..Hα-helixtrans-58-47.1-178.3-68.4163.5000110.2L88 V92 W98 V184 M188 V297 W298 D303 Q304 M305L88-I301 HydrophobicContact CD1-CG1 4.3Å; L88-I301 HydrophobicContact CD2-CG2 4.48Å; V92-I301 HydrophobicContact CG2-CD1 4.21Å; V92-I301 HydrophobicContact CG2-CG1 4.22Å; W98-I301 HydrophobicContact CD2-CD1 3.91Å; W98-I301 HydrophobicContact CE3-CD1 3.43Å; W98-I301 VanDerWaalsContact CE3-CD1 3.43Å; W98-I301 HydrophobicContact CH2-CD1 3.85Å; W98-I301 HydrophobicContact CZ2-CD1 4.23Å; W98-I301 HydrophobicContact CZ3-CD1 3.43Å; W98-I301 VanDerWaalsContact CZ3-CD1 3.43Å; V184-I301 HydrophobicContact CG1-CG2 3.57Å; M188-I301 HydrophobicContact CE-CD1 4.04Å; M188-I301 HydrophobicContact CE-CG1 4.5Å; M188-I301 HydrophobicContact SD-CD1 3.77Å; M188-I301 HydrophobicContact SD-CG1 4.33Å; M188-I301 HydrophobicContact SD-CG2 4.28Å; V297-I301 HydrophobicContact CG1-CD1 3.75Å; V297-I301 HydrophobicContact CG1-CG1 4.31Å; V297-I301 WeakPolarHBondContact O-CG1 3.43Å; V297-I301 PolarHBondContact O-N 3.49Å; W298-I301 HydrophobicContact CE3-CB 4.32Å; W298-I301 HydrophobicContact CE3-CG2 4.32Å; W298-I301 HydrophobicContact CZ3-CG2 4.12Å; W298-I301 PolarHBondContact O-N 2.94Å; I301-D303 PolarHBondContact O-N 3.33Å; I301-Q304 PolarHBondContact O-N 3.25Å; I301-M305 VanDerWaalsContact O-CG 3.22Å; I301-M305 WeakPolarHBondContact O-CG 3.38Å; I301-M305 PolarHBondContact O-N 3.2Å
302F97.5Very high95.1Very high26 Ų2619.7 Ų19.711%0.1148%0.084CC..Hα-helixtrans-58.6-47.2-179.6-177.3-98.2000112.6A154 Y177 L180 W298 L300 Q304 M305 L316 F319A154-F302 HydrophobicContact CB-CD1 4.49Å; A154-F302 HydrophobicContact CB-CE1 4.4Å; A154-F302 WeakPolarHBondContact O-CE1 2.87Å; Y177-F302 HydrophobicContact CD2-CE2 4.46Å; Y177-F302 HydrophobicContact CE2-CD2 4.25Å; Y177-F302 HydrophobicContact CE2-CE2 4.21Å; L180-F302 HydrophobicContact CD2-CD2 3.78Å; L180-F302 HydrophobicContact CD2-CE2 3.52Å; W298-F302 HydrophobicContact CD2-CB 4.46Å; W298-F302 HydrophobicContact CH2-CB 4.29Å; W298-F302 HydrophobicContact CH2-CD2 4.03Å; W298-F302 HydrophobicContact CZ2-CB 3.93Å; W298-F302 AromaticContact CZ2-CD2 3.54Å; W298-F302 HydrophobicContact CZ2-CD2 3.54Å; W298-F302 HydrophobicContact CZ2-CE2 4.46Å; W298-F302 HydrophobicContact CZ2-CG 4.11Å; W298-F302 WeakPolarHBondContact O-CB 3.28Å; W298-F302 PolarHBondContact O-N 3.49Å; L300-F302 VanDerWaalsContact C-N 3.3Å; L300-F302 PolarHBondContact O-N 2.93Å; F302-Q304 VanDerWaalsContact C-N 3.26Å; F302-Q304 PolarHBondContact O-N 3.22Å; F302-M305 HydrophobicContact CD2-SD 4.29Å; F302-M305 PolarHBondContact O-N 3.32Å; F302-L316 HydrophobicContact CE2-CD1 4.05Å; F302-L316 HydrophobicContact CZ-CD1 4.26Å; F302-F319 HydrophobicContact CE2-CD1 4.24Å; F302-F319 HydrophobicContact CE2-CE1 4.23Å; F302-F319 HydrophobicContact CZ-CD1 4.35Å; F302-F319 HydrophobicContact CZ-CE1 4.01Å
303D94.5Very high94.8Very high31 Ų3120 Ų2017%0.1668%0.084CC..Hα-helixtrans-60.9-35.1177.5176.483.9000112.3L126 R299 L300 I301 R347L126-D303 HydrophobicContact CD1-CB 4.07Å; L126-D303 HydrophobicContact CD2-CB 4Å; R299-D303 PolarHBondContact O-N 3.5Å; R299-D303 VanDerWaalsContact O-N 3.15Å; L300-D303 PolarHBondContact O-N 2.93Å; I301-D303 PolarHBondContact O-N 3.33Å; D303-R347 IonicContact OD1-NH2 3.32Å
304Q93.9Very high94.7Very high0 Ų022.3 Ų22.30%010%0.098CC..Hα-helixtrans-81.9-17.5-176.6-66.5-60.6-65.500114.5L88 M91 L300 I301 F302 I306 F307 F453 N457L88-Q304 HydrophobicContact CD1-CB 4.32Å; M91-Q304 HydrophobicContact CE-CG 3.99Å; L300-Q304 HydrophobicContact CD1-CG 4.09Å; L300-Q304 HydrophobicContact CG-CG 4.49Å; L300-Q304 VanDerWaalsContact O-CG 3.22Å; L300-Q304 WeakPolarHBondContact O-CG 3.37Å; L300-Q304 PolarHBondContact O-N 3.2Å; L300-Q304 VanDerWaalsContact O-N 3.16Å; I301-Q304 PolarHBondContact O-N 3.25Å; F302-Q304 VanDerWaalsContact C-N 3.26Å; F302-Q304 PolarHBondContact O-N 3.22Å; Q304-I306 PolarHBondContact O-N 2.83Å; Q304-F307 PolarHBondContact O-N 3.41Å; Q304-F453 HydrophobicContact CB-CE2 4.07Å; Q304-F453 HydrophobicContact CG-CE2 4.34Å; Q304-F453 VanDerWaalsContact OE1-CE2 3.31Å; Q304-N457 PolarHBondContact OE1-ND2 3.21Å
305M94.2Very high94.6Very high0 Ų024.7 Ų24.70%011%0.109CC..G310 helixtrans-53.5-35.1-171.6-68.5-175.865.400114L180 V184 W298 I301 F302 F307 L308 Y312 R313 K315 L316L180-M305 HydrophobicContact CD1-CE 3.76Å; L180-M305 HydrophobicContact CD1-SD 4.36Å; L180-M305 HydrophobicContact CD2-SD 4.38Å; V184-M305 HydrophobicContact CG2-CE 3.39Å; V184-M305 HydrophobicContact CG2-SD 3.84Å; W298-M305 HydrophobicContact CH2-SD 4.37Å; I301-M305 VanDerWaalsContact O-CG 3.22Å; I301-M305 WeakPolarHBondContact O-CG 3.38Å; I301-M305 PolarHBondContact O-N 3.2Å; F302-M305 HydrophobicContact CD2-SD 4.29Å; F302-M305 PolarHBondContact O-N 3.32Å; M305-F307 PolarHBondContact O-N 2.83Å; M305-L308 PolarHBondContact O-N 3Å; M305-Y312 WeakPolarHBondContact CE-O 3.49Å; M305-R313 WeakPolarHBondContact O-CG 3.28Å; M305-K315 HydrophobicContact CE-CB 4.09Å; M305-L316 HydrophobicContact CB-CB 4.32Å; M305-L316 HydrophobicContact CB-CD2 4.18Å; M305-L316 HydrophobicContact CE-CB 4Å
306I91.9Very high94.6Very high42 Ų4225.6 Ų25.622%0.21511%0.113CC..G310 helixtrans-69-22.3-176.4-160.3171.5000113.1Q304 R313 L316 F334Q304-I306 PolarHBondContact O-N 2.83Å; I306-R313 VanDerWaalsContact O-CD 3.3Å; I306-R313 WeakPolarHBondContact O-CD 3.44Å; I306-L316 HydrophobicContact CB-CD2 3.83Å; I306-L316 HydrophobicContact CG1-CD2 4.23Å; I306-F334 HydrophobicContact CD1-CD2 3.97Å; I306-F334 HydrophobicContact CD1-CE2 3.49Å; I306-F334 VanDerWaalsContact CD1-CE2 3.49Å; I306-F334 HydrophobicContact CD1-CZ 4.48Å; I306-F334 HydrophobicContact CG1-CD2 4.15Å; I306-F334 HydrophobicContact CG1-CE2 3.48Å; I306-F334 VanDerWaalsContact CG1-CE2 3.48Å; I306-F334 HydrophobicContact CG1-CZ 4.05Å
307F90.7Very high94.4Very high24 Ų2427 Ų2711%0.10512%0.119CC..G310 helixtrans-97.1-8.5179.8-50.8-68.7000113.4Q304 M305 F334 Y338 F453 H456Q304-F307 PolarHBondContact O-N 3.41Å; M305-F307 PolarHBondContact O-N 2.83Å; F307-F334 AromaticContact CD1-CZ 4Å; F307-F334 HydrophobicContact CD1-CZ 4Å; F307-F334 HydrophobicContact CE1-CZ 4Å; F307-Y338 HydrophobicContact CD1-CE2 4.44Å; F307-Y338 AromaticContact CE1-CD2 3.7Å; F307-Y338 HydrophobicContact CE1-CD2 3.7Å; F307-Y338 AromaticContact CE1-CE2 3.8Å; F307-Y338 HydrophobicContact CE1-CE2 3.8Å; F307-F453 HydrophobicContact CB-CD2 4.18Å; F307-H456 HydrophobicContact CD1-CB 4.13Å; F307-H456 HydrophobicContact CD2-CB 4.47Å; F307-H456 AromaticContact CD2-CD2 3.44Å; F307-H456 VanDerWaalsContact CD2-CD2 3.44Å; F307-H456 WeakPolarHBondContact CD2-CD2 3.3Å; F307-H456 AromaticContact CD2-CG 3.78Å; F307-H456 AromaticContact CD2-NE2 3.7Å; F307-H456 HydrophobicContact CE1-CB 4.42Å; F307-H456 AromaticContact CE1-CG 3.96Å; F307-H456 AromaticContact CE1-ND1 3.75Å; F307-H456 AromaticContact CE2-CD2 3.45Å; F307-H456 VanDerWaalsContact CE2-CD2 3.45Å; F307-H456 WeakPolarHBondContact CE2-CD2 3.23Å; F307-H456 AromaticContact CE2-CE1 3.33Å; F307-H456 WeakPolarHBondContact CE2-CE1 3.47Å; F307-H456 AromaticContact CE2-CG 3.72Å; F307-H456 AromaticContact CE2-ND1 3.67Å; F307-H456 AromaticContact CE2-NE2 3.21Å; F307-H456 WeakPolarHBondContact CE2-NE2 3.44Å; F307-H456 HydrophobicContact CG-CB 4.17Å; F307-H456 AromaticContact CG-CG 3.94Å; F307-H456 AromaticContact CZ-CE1 3.35Å; F307-H456 WeakPolarHBondContact CZ-CE1 3.21Å; F307-H456 AromaticContact CZ-CG 3.82Å; F307-H456 AromaticContact CZ-ND1 3.41Å; F307-H456 WeakPolarHBondContact CZ-ND1 3.38Å; F307-H456 AromaticContact CZ-NE2 3.76Å
308L89.9Confident94.4Very high3 Ų330.3 Ų30.32%0.01614%0.137CC..SBendtrans-81.2-174.5176.3-59.9173.6000111.3V84 L88 M305 Y312 R313 F453V84-L308 HydrophobicContact CG1-CB 3.93Å; V84-L308 HydrophobicContact CG1-CD2 3.51Å; V84-L308 HydrophobicContact CG1-CG 4.31Å; L88-L308 HydrophobicContact CD2-CD1 3.84Å; M305-L308 PolarHBondContact O-N 3Å; L308-Y312 HydrophobicContact CB-CD2 4.01Å; L308-Y312 HydrophobicContact CB-CG 3.95Å; L308-Y312 HydrophobicContact CD1-CD1 3.55Å; L308-Y312 HydrophobicContact CD1-CD2 4.04Å; L308-Y312 HydrophobicContact CD1-CE1 3.96Å; L308-Y312 HydrophobicContact CD1-CE2 4.42Å; L308-Y312 HydrophobicContact CD1-CG 3.59Å; L308-Y312 HydrophobicContact CG-CG 4.44Å; L308-R313 PolarHBondContact O-NH1 3.2Å; L308-F453 HydrophobicContact CD2-CD2 3.47Å; L308-F453 VanDerWaalsContact CD2-CD2 3.47Å; L308-F453 HydrophobicContact CD2-CE2 3.51Å; L308-F453 HydrophobicContact CD2-CG 4.24Å; L308-F453 HydrophobicContact CD2-CZ 4.31Å; L308-F453 HydrophobicContact CG-CD2 4.3Å; L308-F453 HydrophobicContact CG-CE2 4.38Å
309D88.7Confident94.4Very high27 Ų2730.8 Ų30.814%0.14414%0.139CC..  trans-71.4173-179.876.261.9000113.5V84 R311 Y312 R313V84-D309 HydrophobicContact CG1-CB 4.4Å; V84-D309 HydrophobicContact CG2-CB 4.32Å; D309-R311 PolarHBondContact O-N 3.28Å; D309-R311 VanDerWaalsContact O-N 3.14Å; D309-R311 WeakPolarHBondContact OD1-CB 3.41Å; D309-R311 WeakPolarHBondContact OD1-CG 3.31Å; D309-R311 IonicContact OD1-CZ 3.56Å; D309-R311 PolarHBondContact OD1-N 2.96Å; D309-R311 IonicContact OD1-NE 3.31Å; D309-R311 PolarHBondContact OD1-NE 3.25Å; D309-R311 IonicContact OD1-NH2 3.51Å; D309-R311 IonicContact OD2-CZ 3.86Å; D309-R311 IonicContact OD2-NE 2.88Å; D309-R311 PolarHBondContact OD2-NE 3.23Å; D309-R311 IonicContact OD2-NH2 3.71Å; D309-R311 PolarHBondContact OD2-NH2 3.37Å; D309-Y312 PolarHBondContact O-N 3.22Å; D309-R313 PolarHBondContact O-N 3.48Å; D309-R313 VanDerWaalsContact O-N 3.15Å
310R89.6Confident94.2Very high168 Ų16831.6 Ų31.663%0.63415%0.145SC*.Hα-helixtrans-55.4-33.7-175-173.1176.9177.6-175.7-0.2113.3Y312 R313 T314R310-Y312 VanDerWaalsContact C-N 3.34Å; R310-Y312 PolarHBondContact O-N 3.37Å; R310-R313 PolarHBondContact O-N 2.86Å; R310-T314 WeakPolarHBondContact O-CB 3.39Å; R310-T314 PolarHBondContact O-N 2.98Å; R310-T314 PolarHBondContact O-OG1 2.9Å
311R92.2Very high94.1Very high72 Ų7235.1 Ų35.127%0.27216%0.164SC..Hα-helixtrans-61.5-43.9-178.7-58.8172.2-62.5144.31.8111.1A81 L187 D191 D309 K315A81-R311 PolarHBondContact O-NH2 2.93Å; L187-R311 HydrophobicContact CD1-CB 4.11Å; L187-R311 HydrophobicContact CD2-CB 4.21Å; D191-R311 VanDerWaalsContact CG-NH1 3.26Å; D191-R311 IonicContact OD1-CZ 3.4Å; D191-R311 IonicContact OD1-NH1 3.79Å; D191-R311 PolarHBondContact OD1-NH1 3.22Å; D191-R311 IonicContact OD1-NH2 3.47Å; D191-R311 IonicContact OD2-CZ 2.74Å; D191-R311 IonicContact OD2-NH1 3.02Å; D191-R311 PolarHBondContact OD2-NH1 2.75Å; D191-R311 IonicContact OD2-NH2 3.19Å; D191-R311 PolarHBondContact OD2-NH2 3.37Å; D309-R311 PolarHBondContact O-N 3.28Å; D309-R311 VanDerWaalsContact O-N 3.14Å; D309-R311 WeakPolarHBondContact OD1-CB 3.41Å; D309-R311 WeakPolarHBondContact OD1-CG 3.31Å; D309-R311 IonicContact OD1-CZ 3.56Å; D309-R311 PolarHBondContact OD1-N 2.96Å; D309-R311 IonicContact OD1-NE 3.31Å; D309-R311 PolarHBondContact OD1-NE 3.25Å; D309-R311 IonicContact OD1-NH2 3.51Å; D309-R311 IonicContact OD2-CZ 3.86Å; D309-R311 IonicContact OD2-NE 2.88Å; D309-R311 PolarHBondContact OD2-NE 3.23Å; D309-R311 IonicContact OD2-NH2 3.71Å; D309-R311 PolarHBondContact OD2-NH2 3.37Å; R311-K315 WeakPolarHBondContact O-CG 3.46Å
312Y93.6Very high94Very high0 Ų037.4 Ų37.40%018%0.178CC..Hα-helixtrans-70.7-46.1176.6-71.8-93.1000111.4T85 L88 V184 L187 M188 M305 L308 D309 R310 T314 K315 L316T85-Y312 PolarHBondContact OG1-OH 3.34Å; L88-Y312 HydrophobicContact CD2-CE1 4.43Å; V184-Y312 HydrophobicContact CG1-CD1 4.32Å; V184-Y312 HydrophobicContact CG1-CE1 4.03Å; L187-Y312 HydrophobicContact CB-CE1 4.36Å; L187-Y312 HydrophobicContact CD1-CD1 4.3Å; L187-Y312 HydrophobicContact CD1-CD2 4.44Å; L187-Y312 HydrophobicContact CD1-CE1 4.38Å; L187-Y312 HydrophobicContact CD1-CE2 4.5Å; L187-Y312 HydrophobicContact CD1-CG 4.33Å; M188-Y312 HydrophobicContact CG-CE1 4.18Å; M188-Y312 VanDerWaalsContact CG-OH 3.29Å; M188-Y312 WeakPolarHBondContact CG-OH 3.48Å; M305-Y312 WeakPolarHBondContact CE-O 3.49Å; L308-Y312 HydrophobicContact CB-CD2 4.01Å; L308-Y312 HydrophobicContact CB-CG 3.95Å; L308-Y312 HydrophobicContact CD1-CD1 3.55Å; L308-Y312 HydrophobicContact CD1-CD2 4.04Å; L308-Y312 HydrophobicContact CD1-CE1 3.96Å; L308-Y312 HydrophobicContact CD1-CE2 4.42Å; L308-Y312 HydrophobicContact CD1-CG 3.59Å; L308-Y312 HydrophobicContact CG-CG 4.44Å; D309-Y312 PolarHBondContact O-N 3.22Å; R310-Y312 VanDerWaalsContact C-N 3.34Å; R310-Y312 PolarHBondContact O-N 3.37Å; Y312-T314 PolarHBondContact O-N 2.73Å; Y312-K315 PolarHBondContact O-N 3.41Å; Y312-K315 VanDerWaalsContact O-N 3.15Å; Y312-L316 PolarHBondContact O-N 2.76Å
313R92.9Very high93.8Very high12 Ų1236.6 Ų36.65%0.04517%0.174CC..Hα-helixtrans-61.6-41.7-179.7-64.3-166.3-49.8-93.61112.7M305 I306 L308 D309 R310 K315 L316 Y317 E328M305-R313 WeakPolarHBondContact O-CG 3.28Å; I306-R313 VanDerWaalsContact O-CD 3.3Å; I306-R313 WeakPolarHBondContact O-CD 3.44Å; L308-R313 PolarHBondContact O-NH1 3.2Å; D309-R313 PolarHBondContact O-N 3.48Å; D309-R313 VanDerWaalsContact O-N 3.15Å; R310-R313 PolarHBondContact O-N 2.86Å; R313-K315 VanDerWaalsContact C-N 3.27Å; R313-K315 PolarHBondContact O-N 2.78Å; R313-L316 WeakPolarHBondContact O-CB 3.37Å; R313-L316 PolarHBondContact O-N 2.82Å; R313-L316 VanDerWaalsContact O-N 3.13Å; R313-Y317 HydrophobicContact CB-CD2 4.38Å; R313-Y317 HydrophobicContact CB-CE2 4.48Å; R313-Y317 WeakPolarHBondContact O-CD2 3.46Å; R313-Y317 PolarHBondContact O-N 2.72Å; R313-E328 IonicContact CZ-OE1 3.47Å; R313-E328 IonicContact NE-OE1 2.65Å; R313-E328 PolarHBondContact NE-OE1 2.69Å; R313-E328 IonicContact NH2-OE1 3.32Å
314T94.6Very high93.6Very high48 Ų4839.7 Ų39.729%0.29418%0.184SC..Hα-helixtrans-57.2-42.8175.9-63.30000111R310 Y312 Y317 D318R310-T314 WeakPolarHBondContact O-CB 3.39Å; R310-T314 PolarHBondContact O-N 2.98Å; R310-T314 PolarHBondContact O-OG1 2.9Å; Y312-T314 PolarHBondContact O-N 2.73Å; T314-Y317 PolarHBondContact O-N 3.21Å; T314-D318 PolarHBondContact O-N 3.02Å
315K97.1Very high93.6Very high52 Ų5240 Ų4023%0.22619%0.187CC..Hα-helixtrans-65.8-40.3176.1-59.5-48.5-175.5174.10112.9L180 E183 L187 M305 R311 Y312 R313 Y317 D318 F319L180-K315 VanDerWaalsContact CD1-C 3.49Å; L180-K315 HydrophobicContact CD1-CB 3.6Å; L180-K315 VanDerWaalsContact CD1-O 3.28Å; L180-K315 WeakPolarHBondContact CD1-O 3.33Å; E183-K315 HydrophobicContact CB-CD 4.27Å; E183-K315 HydrophobicContact CB-CG 4.33Å; E183-K315 IonicContact OE1-NZ 2.64Å; E183-K315 PolarHBondContact OE1-NZ 3.05Å; E183-K315 IonicContact OE2-NZ 2.66Å; L187-K315 HydrophobicContact CD1-CG 4.39Å; M305-K315 HydrophobicContact CE-CB 4.09Å; R311-K315 WeakPolarHBondContact O-CG 3.46Å; Y312-K315 PolarHBondContact O-N 3.41Å; Y312-K315 VanDerWaalsContact O-N 3.15Å; R313-K315 VanDerWaalsContact C-N 3.27Å; R313-K315 PolarHBondContact O-N 2.78Å; K315-Y317 VanDerWaalsContact C-N 3.34Å; K315-Y317 PolarHBondContact O-N 3.28Å; K315-D318 IonicContact NZ-OD2 3.26Å; K315-D318 PolarHBondContact O-N 3.08Å; K315-F319 PolarHBondContact O-N 2.65Å
316L96.7Very high93.5Very high18 Ų1840.6 Ų40.69%0.09419%0.192CC..Hα-helixtrans-58.1-47.9173-179.662.1000111F302 M305 I306 Y312 R313 F319 V320F302-L316 HydrophobicContact CE2-CD1 4.05Å; F302-L316 HydrophobicContact CZ-CD1 4.26Å; M305-L316 HydrophobicContact CB-CB 4.32Å; M305-L316 HydrophobicContact CB-CD2 4.18Å; M305-L316 HydrophobicContact CE-CB 4Å; I306-L316 HydrophobicContact CB-CD2 3.83Å; I306-L316 HydrophobicContact CG1-CD2 4.23Å; Y312-L316 PolarHBondContact O-N 2.76Å; R313-L316 WeakPolarHBondContact O-CB 3.37Å; R313-L316 PolarHBondContact O-N 2.82Å; R313-L316 VanDerWaalsContact O-N 3.13Å; L316-F319 WeakPolarHBondContact O-CB 3.33Å; L316-F319 PolarHBondContact O-N 3.23Å; L316-V320 HydrophobicContact CG-CG2 4.44Å; L316-V320 WeakPolarHBondContact O-CG2 3.33Å; L316-V320 PolarHBondContact O-N 3.32Å
317Y96.1Very high93.5Very high30 Ų3041 Ų4112%0.11820%0.196CC..Hα-helixtrans-74.1-27.3-177.8-75.2-69000113.7R313 T314 K315 F319 V320 N321 T327 E328 P329R313-Y317 HydrophobicContact CB-CD2 4.38Å; R313-Y317 HydrophobicContact CB-CE2 4.48Å; R313-Y317 WeakPolarHBondContact O-CD2 3.46Å; R313-Y317 PolarHBondContact O-N 2.72Å; T314-Y317 PolarHBondContact O-N 3.21Å; K315-Y317 VanDerWaalsContact C-N 3.34Å; K315-Y317 PolarHBondContact O-N 3.28Å; Y317-F319 VanDerWaalsContact C-N 3.28Å; Y317-F319 PolarHBondContact O-N 3.24Å; Y317-V320 HydrophobicContact CD1-CB 4.29Å; Y317-V320 HydrophobicContact CD1-CG1 4.46Å; Y317-V320 HydrophobicContact CD1-CG2 4.49Å; Y317-V320 PolarHBondContact O-N 3.3Å; Y317-N321 VanDerWaalsContact O-CB 3.31Å; Y317-N321 WeakPolarHBondContact O-CB 3.49Å; Y317-N321 PolarHBondContact O-N 3.02Å; Y317-T327 WeakPolarHBondContact CD1-O 3.29Å; Y317-E328 HydrophobicContact CD1-CB 4.24Å; Y317-E328 HydrophobicContact CD2-CB 3.4Å; Y317-E328 HydrophobicContact CD2-CG 3.56Å; Y317-E328 HydrophobicContact CE2-CB 3.77Å; Y317-E328 HydrophobicContact CE2-CG 3.48Å; Y317-E328 VanDerWaalsContact CE2-CG 3.48Å; Y317-E328 HydrophobicContact CG-CB 3.67Å; Y317-E328 HydrophobicContact CG-CG 4.33Å; Y317-P329 WeakPolarHBondContact OH-CD 3.02Å
318D97Very high93.6Very high72 Ų7242.2 Ų42.239%0.38520%0.203SC..Hα-helixtrans-58.8-43.2167.6-71.6-20.5000110.3T314 K315 V322T314-D318 PolarHBondContact O-N 3.02Å; K315-D318 IonicContact NZ-OD2 3.26Å; K315-D318 PolarHBondContact O-N 3.08Å; D318-V322 PolarHBondContact O-N 3.01Å
319F97.3Very high93.7Very high9 Ų944.1 Ų44.14%0.03922%0.215CC..Hα-helixtrans-68.1-46.3174.7168.1-101.6000112.6F155 V173 A176 Y177 L180 F302 K315 L316 Y317 N321 V322 M323F155-F319 HydrophobicContact CD1-CE1 4.44Å; F155-F319 AromaticContact CD1-CZ 3.74Å; F155-F319 HydrophobicContact CD1-CZ 3.74Å; F155-F319 HydrophobicContact CE1-CE1 4.44Å; F155-F319 HydrophobicContact CE1-CE2 4.01Å; F155-F319 AromaticContact CE1-CZ 3.46Å; F155-F319 HydrophobicContact CE1-CZ 3.46Å; F155-F319 VanDerWaalsContact CE1-CZ 3.46Å; F155-F319 HydrophobicContact CZ-CZ 4.32Å; V173-F319 HydrophobicContact CG1-CE2 3.96Å; V173-F319 HydrophobicContact CG1-CZ 4.13Å; A176-F319 HydrophobicContact CB-CD2 3.88Å; A176-F319 HydrophobicContact CB-CE2 4.42Å; Y177-F319 HydrophobicContact CD2-CE2 4.4Å; Y177-F319 HydrophobicContact CD2-CZ 4.46Å; L180-F319 HydrophobicContact CD2-CB 3.89Å; L180-F319 HydrophobicContact CD2-CD1 4.21Å; L180-F319 HydrophobicContact CD2-CG 3.96Å; F302-F319 HydrophobicContact CE2-CD1 4.24Å; F302-F319 HydrophobicContact CE2-CE1 4.23Å; F302-F319 HydrophobicContact CZ-CD1 4.35Å; F302-F319 HydrophobicContact CZ-CE1 4.01Å; K315-F319 PolarHBondContact O-N 2.65Å; L316-F319 WeakPolarHBondContact O-CB 3.33Å; L316-F319 PolarHBondContact O-N 3.23Å; Y317-F319 VanDerWaalsContact C-N 3.28Å; Y317-F319 PolarHBondContact O-N 3.24Å; F319-N321 PolarHBondContact O-N 3.24Å; F319-V322 PolarHBondContact O-N 2.84Å; F319-V322 VanDerWaalsContact O-N 3.11Å; F319-M323 HydrophobicContact CE1-SD 4.34Å; F319-M323 HydrophobicContact CZ-SD 4.32Å; F319-M323 PolarHBondContact O-N 3.5Å; F319-M323 VanDerWaalsContact O-N 3.08Å
320V94.8Very high93.8Very high30 Ų3047.8 Ų47.818%0.18223%0.227CC..Hα-helixtrans-59.2-36.4177.81710000111.4L316 Y317 V322 M323 R324 A326L316-V320 HydrophobicContact CG-CG2 4.44Å; L316-V320 WeakPolarHBondContact O-CG2 3.33Å; L316-V320 PolarHBondContact O-N 3.32Å; Y317-V320 HydrophobicContact CD1-CB 4.29Å; Y317-V320 HydrophobicContact CD1-CG1 4.46Å; Y317-V320 HydrophobicContact CD1-CG2 4.49Å; Y317-V320 PolarHBondContact O-N 3.3Å; V320-V322 PolarHBondContact O-N 3.24Å; V320-M323 PolarHBondContact O-N 3.32Å; V320-R324 PolarHBondContact O-N 2.89Å; V320-A326 HydrophobicContact CG1-CB 4.12Å
321N95.2Very high93.9Very high74 Ų7441.6 Ų41.640%0.39620%0.203SC..Hα-helixtrans-62.7-41.8176.4-17542.4000112Y317 F319 M323 G325 A326Y317-N321 VanDerWaalsContact O-CB 3.31Å; Y317-N321 WeakPolarHBondContact O-CB 3.49Å; Y317-N321 PolarHBondContact O-N 3.02Å; F319-N321 PolarHBondContact O-N 3.24Å; N321-M323 VanDerWaalsContact C-N 3.33Å; N321-M323 PolarHBondContact O-N 3.08Å; N321-G325 WeakPolarHBondContact O-CA 3.43Å; N321-G325 PolarHBondContact O-N 3.17Å; N321-A326 WeakPolarHBondContact CA-O 3.45Å; N321-A326 WeakPolarHBondContact CB-O 3.29Å; N321-A326 PolarHBondContact N-O 2.94Å
322V95.7Very high94Very high47 Ų4738.8 Ų38.829%0.28520%0.195SC..Hα-helixtrans-64.2-40.1174.2178.10000111.2D172 V173 A176 D318 F319 V320D172-V322 HydrophobicContact CB-CG1 4.12Å; V173-V322 HydrophobicContact CG2-CG1 4.2Å; A176-V322 HydrophobicContact CB-CB 4.07Å; A176-V322 HydrophobicContact CB-CG1 3.94Å; A176-V322 HydrophobicContact CB-CG2 4.11Å; D318-V322 PolarHBondContact O-N 3.01Å; F319-V322 PolarHBondContact O-N 2.84Å; F319-V322 VanDerWaalsContact O-N 3.11Å; V320-V322 PolarHBondContact O-N 3.24Å
323M93.3Very high94Very high9 Ų939.6 Ų39.64%0.04420%0.199CC..Hα-helixtrans-73.8-42.6-175.7-169.2-174-173.300113.7F155 Y162 V173 F319 V320 N321F155-M323 HydrophobicContact CB-CE 3.85Å; F155-M323 HydrophobicContact CG-CE 4.39Å; Y162-M323 HydrophobicContact CD1-CE 4.37Å; Y162-M323 HydrophobicContact CD2-CE 4.08Å; Y162-M323 HydrophobicContact CE1-CE 4.09Å; Y162-M323 HydrophobicContact CE1-CG 4.02Å; Y162-M323 HydrophobicContact CE2-CE 3.74Å; Y162-M323 HydrophobicContact CG-CE 4.38Å; V173-M323 HydrophobicContact CG1-CG 4.27Å; V173-M323 HydrophobicContact CG2-CB 4.14Å; V173-M323 HydrophobicContact CG2-CG 4.23Å; F319-M323 HydrophobicContact CE1-SD 4.34Å; F319-M323 HydrophobicContact CZ-SD 4.32Å; F319-M323 PolarHBondContact O-N 3.5Å; F319-M323 VanDerWaalsContact O-N 3.08Å; V320-M323 PolarHBondContact O-N 3.32Å; N321-M323 VanDerWaalsContact C-N 3.33Å; N321-M323 PolarHBondContact O-N 3.08Å
324R91Very high94Very high96 Ų9640 Ų4036%0.36220%0.202SC..Hα-helixtrans-129.4-15.5-169.4-61.6-177.2-178.8166.71.9114.3D31 V320 H649 N652D31-R324 WeakPolarHBondContact CB-O 3.45Å; V320-R324 PolarHBondContact O-N 2.89Å; R324-H649 PolarHBondContact O-N 3.4Å; R324-N652 HydrophobicContact CG-CB 4.33Å
325G92.2Very high94Very high7 Ų737.8 Ų37.87%0.07219%0.188CC..SBendtrans80.517.9-174.100000114.5N321 K646N321-G325 WeakPolarHBondContact O-CA 3.43Å; N321-G325 PolarHBondContact O-N 3.17Å; G325-K646 WeakPolarHBondContact O-CD 3.36Å; G325-K646 PolarHBondContact O-NZ 3.13Å
326A92.3Very high94Very high13 Ų1335.4 Ų35.411%0.10718%0.177CC..  trans-101.3151.8175.900000111.5D31 V320 N321D31-A326 HydrophobicContact CB-CB 3.97Å; V320-A326 HydrophobicContact CG1-CB 4.12Å; N321-A326 WeakPolarHBondContact CA-O 3.45Å; N321-A326 WeakPolarHBondContact CB-O 3.29Å; N321-A326 PolarHBondContact N-O 2.94Å
327T93.2Very high93.8Very high49 Ų4937 Ų3730%0.30119%0.19SC..  trans-116.2-174.5174.965.90000110.9F29 Y317F29-T327 VanDerWaalsContact CA-OG1 3.3Å; F29-T327 WeakPolarHBondContact CA-OG1 3.27Å; F29-T327 PolarHBondContact O-N 2.85Å; Y317-T327 WeakPolarHBondContact CD1-O 3.29Å
328E92.3Very high93.7Very high51 Ų5136 Ų3624%0.23819%0.186CC..PPolyproline II helixtrans-61.6123.8179.5-174.1165.2-165.800110.1R313 Y317R313-E328 IonicContact CZ-OE1 3.47Å; R313-E328 IonicContact NE-OE1 2.65Å; R313-E328 PolarHBondContact NE-OE1 2.69Å; R313-E328 IonicContact NH2-OE1 3.32Å; Y317-E328 HydrophobicContact CD1-CB 4.24Å; Y317-E328 HydrophobicContact CD2-CB 3.4Å; Y317-E328 HydrophobicContact CD2-CG 3.56Å; Y317-E328 HydrophobicContact CE2-CB 3.77Å; Y317-E328 HydrophobicContact CE2-CG 3.48Å; Y317-E328 VanDerWaalsContact CE2-CG 3.48Å; Y317-E328 HydrophobicContact CG-CB 3.67Å; Y317-E328 HydrophobicContact CG-CG 4.33Å
329P91.1Very high93.6Very high43 Ų4332.7 Ų32.728%0.27917%0.168SC..PPolyproline II helixtrans-69.6169.1177.131.3-35.6000110.9Y317 R331 F334Y317-P329 WeakPolarHBondContact OH-CD 3.02Å; P329-R331 PolarHBondContact O-N 2.96Å; P329-F334 HydrophobicContact CG-CB 4.4Å
330R91.4Very high93.4Very high103 Ų10333 Ų3339%0.38917%0.171SC..PPolyproline II helixtrans-55.4139.9170.9-55.2-178.3-62.21738.9109D45 S332 D333 F334D45-R330 IonicContact OD1-CZ 2.65Å; D45-R330 IonicContact OD1-NH1 3Å; D45-R330 IonicContact OD1-NH2 3.27Å; D45-R330 PolarHBondContact OD1-NH2 2.76Å; D45-R330 IonicContact OD2-NH2 3.69Å; R330-S332 PolarHBondContact O-N 3.48Å; R330-D333 HydrophobicContact CB-CB 4.45Å; R330-D333 WeakPolarHBondContact CB-OD2 3.46Å; R330-D333 IonicContact CZ-OD1 3.53Å; R330-D333 IonicContact CZ-OD2 3.99Å; R330-D333 IonicContact NE-OD1 2.89Å; R330-D333 PolarHBondContact NE-OD1 2.95Å; R330-D333 IonicContact NE-OD2 3.7Å; R330-D333 PolarHBondContact NE-OD2 3.12Å; R330-D333 IonicContact NH2-OD1 3.63Å; R330-D333 PolarHBondContact NH2-OD1 3Å; R330-D333 IonicContact NH2-OD2 3.87Å; R330-D333 PolarHBondContact NH2-OD2 3.45Å; R330-D333 WeakPolarHBondContact O-CB 3.34Å; R330-D333 PolarHBondContact O-N 3.3Å; R330-F334 PolarHBondContact O-N 3.5Å
331R91.8Very high93.1Very high38 Ų3832.1 Ų32.114%0.14317%0.168CC..Hα-helixtrans-56.8-40.9-177.4-175.458.6171.8178.83.4111.9C74 M75 P329 D333 F334 C335C74-R331 VanDerWaalsContact O-CZ 3.25Å; C74-R331 PolarHBondContact O-NE 3.24Å; C74-R331 PolarHBondContact O-NH2 2.89Å; M75-R331 HydrophobicContact SD-CB 4.36Å; M75-R331 HydrophobicContact SD-CG 4.01Å; P329-R331 PolarHBondContact O-N 2.96Å; R331-D333 VanDerWaalsContact C-N 3.31Å; R331-D333 PolarHBondContact O-N 2.92Å; R331-F334 VanDerWaalsContact NH1-CD1 3.29Å; R331-F334 VanDerWaalsContact NH1-CE1 3.29Å; R331-F334 WeakPolarHBondContact O-CB 3.19Å; R331-F334 PolarHBondContact O-N 2.88Å; R331-C335 PolarHBondContact O-N 3.42Å; R331-C335 PolarHBondContact O-SG 3.23Å
332S94.3Very high91.9Very high14 Ų1433.9 Ų33.910%0.09817%0.174CC..Hα-helixtrans-56.9-43175.355.80000112.6R330 F334 C335 I336R330-S332 PolarHBondContact O-N 3.48Å; S332-F334 VanDerWaalsContact C-N 3.33Å; S332-F334 PolarHBondContact O-N 2.87Å; S332-C335 PolarHBondContact O-N 3.18Å; S332-I336 WeakPolarHBondContact O-CG1 3.37Å; S332-I336 PolarHBondContact O-N 3.46Å
333D93.5Very high90.2Very high16 Ų1632.9 Ų32.99%0.08617%0.169CC..Hα-helixtrans-66.3-38.5-179-62.1-22.4000111.6K44 R330 R331 S337K44-D333 HydrophobicContact CD-CB 4.1Å; R330-D333 HydrophobicContact CB-CB 4.45Å; R330-D333 WeakPolarHBondContact CB-OD2 3.46Å; R330-D333 IonicContact CZ-OD1 3.53Å; R330-D333 IonicContact CZ-OD2 3.99Å; R330-D333 IonicContact NE-OD1 2.89Å; R330-D333 PolarHBondContact NE-OD1 2.95Å; R330-D333 IonicContact NE-OD2 3.7Å; R330-D333 PolarHBondContact NE-OD2 3.12Å; R330-D333 IonicContact NH2-OD1 3.63Å; R330-D333 PolarHBondContact NH2-OD1 3Å; R330-D333 IonicContact NH2-OD2 3.87Å; R330-D333 PolarHBondContact NH2-OD2 3.45Å; R330-D333 WeakPolarHBondContact O-CB 3.34Å; R330-D333 PolarHBondContact O-N 3.3Å; R331-D333 VanDerWaalsContact C-N 3.31Å; R331-D333 PolarHBondContact O-N 2.92Å; D333-S337 VanDerWaalsContact O-CB 3.28Å; D333-S337 WeakPolarHBondContact O-CB 3.41Å; D333-S337 PolarHBondContact O-N 3.08Å; D333-S337 PolarHBondContact O-OG 3.04Å
334F93.3Very high88.3Confident22 Ų2237 Ų3710%0.09619%0.191CC..Hα-helixtrans-63.4-47172168.8-98.1000111.2I306 F307 P329 R330 R331 S332 I336 S337 Y338 L452I306-F334 HydrophobicContact CD1-CD2 3.97Å; I306-F334 HydrophobicContact CD1-CE2 3.49Å; I306-F334 VanDerWaalsContact CD1-CE2 3.49Å; I306-F334 HydrophobicContact CD1-CZ 4.48Å; I306-F334 HydrophobicContact CG1-CD2 4.15Å; I306-F334 HydrophobicContact CG1-CE2 3.48Å; I306-F334 VanDerWaalsContact CG1-CE2 3.48Å; I306-F334 HydrophobicContact CG1-CZ 4.05Å; F307-F334 AromaticContact CD1-CZ 4Å; F307-F334 HydrophobicContact CD1-CZ 4Å; F307-F334 HydrophobicContact CE1-CZ 4Å; P329-F334 HydrophobicContact CG-CB 4.4Å; R330-F334 PolarHBondContact O-N 3.5Å; R331-F334 VanDerWaalsContact NH1-CD1 3.29Å; R331-F334 VanDerWaalsContact NH1-CE1 3.29Å; R331-F334 WeakPolarHBondContact O-CB 3.19Å; R331-F334 PolarHBondContact O-N 2.88Å; S332-F334 VanDerWaalsContact C-N 3.33Å; S332-F334 PolarHBondContact O-N 2.87Å; F334-I336 PolarHBondContact O-N 3.3Å; F334-S337 PolarHBondContact O-N 3.05Å; F334-Y338 WeakPolarHBondContact O-CB 3.5Å; F334-Y338 PolarHBondContact O-N 3.26Å; F334-L452 HydrophobicContact CE1-CD2 3.77Å; F334-L452 HydrophobicContact CZ-CD2 4.4Å
335C95.3Very high86.3Confident1 Ų137.8 Ų37.81%0.00720%0.202CC..Hα-helixtrans-62.5-41.2-179.4-620000112.5Y71 C74 R331 S332 Y338 L339Y71-C335 HydrophobicContact CD2-CB 3.88Å; Y71-C335 HydrophobicContact CE2-CB 3.93Å; C74-C335 HydrophobicContact CB-CB 3.7Å; C74-C335 WeakPolarHBondContact CB-SG 3.45Å; C74-C335 WeakPolarHBondContact SG-CA 3.37Å; C74-C335 WeakPolarHBondContact SG-CB 3.29Å; C74-C335 CovalentContact SG-SG 2.03Å; C74-C335 PolarHBondContact SG-SG 3.32Å; R331-C335 PolarHBondContact O-N 3.42Å; R331-C335 PolarHBondContact O-SG 3.23Å; S332-C335 PolarHBondContact O-N 3.18Å; C335-Y338 PolarHBondContact O-N 3.23Å; C335-L339 WeakPolarHBondContact O-CG 3.48Å; C335-L339 PolarHBondContact O-N 3.31Å
336I95.8Very high84.8Confident1 Ų140 Ų401%0.00522%0.224CC..Hα-helixtrans-67-45.5173.9-60.6-51.5000111K44 I47 R48 L51 Y71 S332 F334 Y338 L339 T340K44-I336 HydrophobicContact CB-CG2 4.3Å; K44-I336 HydrophobicContact CG-CB 4.26Å; K44-I336 HydrophobicContact CG-CG2 3.91Å; I47-I336 HydrophobicContact CB-CD1 4.31Å; I47-I336 HydrophobicContact CB-CG2 4.2Å; I47-I336 HydrophobicContact CD1-CG2 3.94Å; I47-I336 HydrophobicContact CG2-CD1 3.71Å; I47-I336 HydrophobicContact CG2-CG2 4.18Å; R48-I336 HydrophobicContact CB-CG1 4.48Å; L51-I336 HydrophobicContact CD1-CD1 3.67Å; Y71-I336 HydrophobicContact CD2-CD1 3.66Å; Y71-I336 HydrophobicContact CE2-CD1 3.53Å; Y71-I336 HydrophobicContact CE2-CG1 4.16Å; S332-I336 WeakPolarHBondContact O-CG1 3.37Å; S332-I336 PolarHBondContact O-N 3.46Å; F334-I336 PolarHBondContact O-N 3.3Å; I336-Y338 VanDerWaalsContact C-N 3.26Å; I336-Y338 PolarHBondContact O-N 3.32Å; I336-L339 PolarHBondContact O-N 2.74Å; I336-L339 VanDerWaalsContact O-N 3.11Å; I336-T340 PolarHBondContact O-N 2.78Å; I336-T340 PolarHBondContact O-OG1 3.45Å; I336-T340 VanDerWaalsContact O-OG1 3.09Å
337S93.6Very high83.6Confident51 Ų5142.2 Ų42.236%0.35723%0.23SC..Hα-helixtrans-58.5-38176.4-85.20000112.7K44 D333 F334 T340 G341K44-S337 WeakPolarHBondContact CE-OG 3.28Å; K44-S337 PolarHBondContact NZ-OG 2.92Å; K44-S337 VanDerWaalsContact NZ-OG 3.08Å; D333-S337 VanDerWaalsContact O-CB 3.28Å; D333-S337 WeakPolarHBondContact O-CB 3.41Å; D333-S337 PolarHBondContact O-N 3.08Å; D333-S337 PolarHBondContact O-OG 3.04Å; F334-S337 PolarHBondContact O-N 3.05Å; S337-T340 PolarHBondContact O-N 3.47Å; S337-G341 PolarHBondContact O-N 2.87Å
338Y93.7Very high82.9Confident11 Ų1141.7 Ų41.74%0.04322%0.224CC..Hα-helixtrans-62.1-42.4174.7174-99.8000112.4V70 F307 F334 C335 I336 F349 L452 H456V70-Y338 HydrophobicContact CG1-CD1 4.23Å; V70-Y338 HydrophobicContact CG1-CE1 3.77Å; F307-Y338 HydrophobicContact CD1-CE2 4.44Å; F307-Y338 AromaticContact CE1-CD2 3.7Å; F307-Y338 HydrophobicContact CE1-CD2 3.7Å; F307-Y338 AromaticContact CE1-CE2 3.8Å; F307-Y338 HydrophobicContact CE1-CE2 3.8Å; F334-Y338 WeakPolarHBondContact O-CB 3.5Å; F334-Y338 PolarHBondContact O-N 3.26Å; C335-Y338 PolarHBondContact O-N 3.23Å; I336-Y338 VanDerWaalsContact C-N 3.26Å; I336-Y338 PolarHBondContact O-N 3.32Å; Y338-F349 HydrophobicContact CE2-CE1 4.48Å; Y338-F349 WeakPolarHBondContact O-CD2 3.44Å; Y338-L452 HydrophobicContact CD1-CD1 4.16Å; Y338-L452 HydrophobicContact CE1-CD1 3.88Å; Y338-H456 HydrophobicContact CE2-CB 4.22Å; Y338-H456 AromaticContact CE2-ND1 3.71Å; Y338-H456 VanDerWaalsContact OH-CA 3.23Å; Y338-H456 WeakPolarHBondContact OH-CA 3.24Å
339L95.3Very high82.8Confident1 Ų140.1 Ų40.11%0.00522%0.217CC..Hα-helixtrans-68.5-41.9177.8-67.9171.5000112.4L51 V70 Y71 C335 I336 G341 L350 A351 V354L51-L339 HydrophobicContact CD1-CD1 3.89Å; V70-L339 HydrophobicContact CB-CD2 4.11Å; V70-L339 HydrophobicContact CG1-CD2 3.7Å; Y71-L339 HydrophobicContact CD2-CD1 4.29Å; C335-L339 WeakPolarHBondContact O-CG 3.48Å; C335-L339 PolarHBondContact O-N 3.31Å; I336-L339 PolarHBondContact O-N 2.74Å; I336-L339 VanDerWaalsContact O-N 3.11Å; L339-G341 VanDerWaalsContact C-N 3.32Å; L339-L350 HydrophobicContact CD2-CB 4.28Å; L339-L350 HydrophobicContact CD2-CD1 3.78Å; L339-L350 HydrophobicContact CD2-CG 4.48Å; L339-L350 CarbonylContact O-C 3.55Å; L339-L350 PolarHBondContact O-N 3.35Å; L339-A351 PolarHBondContact O-N 3.48Å; L339-V354 HydrophobicContact CB-CB 4.18Å; L339-V354 HydrophobicContact CB-CG1 4.33Å; L339-V354 HydrophobicContact CB-CG2 4.24Å
340T93.2Very high82.9Confident17 Ų1738.1 Ų38.110%0.10420%0.204CC..Hα-helixtrans-68.4-32-179.9-54.40000112.4I336 S337 A351 S483 A485I336-T340 PolarHBondContact O-N 2.78Å; I336-T340 PolarHBondContact O-OG1 3.45Å; I336-T340 VanDerWaalsContact O-OG1 3.09Å; S337-T340 PolarHBondContact O-N 3.47Å; T340-A351 WeakPolarHBondContact O-CB 3.49Å; T340-S483 WeakPolarHBondContact O-CB 3.41Å; T340-A485 HydrophobicContact CG2-CB 4.31Å
341G87.2Confident83.1Confident11 Ų1133.2 Ų33.211%0.11319%0.185CC..  trans65.7-169.8-174.800000113.7S337 L339 R347 F349S337-G341 PolarHBondContact O-N 2.87Å; L339-G341 VanDerWaalsContact C-N 3.32Å; G341-R347 WeakPolarHBondContact CA-O 3.4Å; G341-F349 VanDerWaalsContact CA-CD2 3.49Å
342E70.3Confident83.3Confident111 Ų11132 Ų3252%0.51918%0.181SC..  trans-114132-179.8-67.2-177.1156.600109.3R347E342-R347 PolarHBondContact N-O 2.88Å
343P60.2Low83.3Confident26 Ų2631.3 Ų31.317%0.16918%0.176CC..SBendtrans-66.2154.9177.830.9-36.2000110.7D345 T486 W490P343-D345 PolarHBondContact O-N 3.3Å; P343-T486 HydrophobicContact CG-CG2 4.07Å; P343-W490 HydrophobicContact CB-CE3 4.18Å; P343-W490 HydrophobicContact CB-CH2 4.17Å; P343-W490 HydrophobicContact CB-CZ3 3.91Å
344N52.8Low83.4Confident95 Ų9530.6 Ų30.651%0.50817%0.172SC..SBendtrans65.8-17.7170.7-58.7-39.9000118.1G346 G481N344-G346 PolarHBondContact O-N 2.94Å; N344-G481 PolarHBondContact N-O 2.91Å
345D50.2Low83.6Confident112 Ų11229.6 Ų29.660%0.59917%0.168SC*.SBendtrans-87.37.8-178-68-8.3000113.4P343 R347P343-D345 PolarHBondContact O-N 3.3Å; D345-R347 PolarHBondContact O-N 3.08Å; D345-R347 VanDerWaalsContact O-N 3.12Å
346G59.3Low83.6Confident53 Ų5330.7 Ų30.755%0.54617%0.172SC..SBendtrans67.72.9-170.400000113.4N344 E348 M463N344-G346 PolarHBondContact O-N 2.94Å; G346-E348 VanDerWaalsContact C-N 3.28Å; G346-E348 PolarHBondContact O-N 2.92Å; G346-M463 WeakPolarHBondContact O-CE 3.42Å
347R68.9Low83.6Confident61 Ų6130.8 Ų30.823%0.2317%0.172CC..  trans-8950.1-179.2-71.1-172.8175.8-163.3-3.4112.7S125 D303 G341 E342 D345 F349 M463S125-R347 PolarHBondContact O-NH2 3.48Å; D303-R347 IonicContact OD1-NH2 3.32Å; G341-R347 WeakPolarHBondContact CA-O 3.4Å; E342-R347 PolarHBondContact N-O 2.88Å; D345-R347 PolarHBondContact O-N 3.08Å; D345-R347 VanDerWaalsContact O-N 3.12Å; R347-F349 VanDerWaalsContact C-N 3.29Å; R347-F349 HydrophobicContact CB-CE2 4.35Å; R347-F349 HydrophobicContact CB-CZ 4.34Å; R347-F349 PolarHBondContact O-N 3.3Å; R347-M463 VanDerWaalsContact C-CE 3.46Å; R347-M463 HydrophobicContact CB-CE 4.37Å
348E77.1Confident83.7Confident38 Ų3828.3 Ų28.318%0.17816%0.155CC..  trans-70.8-11.7-177-66.3-177.2153.200114.4G346 L350 A351 Y352 Y426 M463 G481 G482G346-E348 VanDerWaalsContact C-N 3.28Å; G346-E348 PolarHBondContact O-N 2.92Å; E348-L350 PolarHBondContact O-N 2.03Å; E348-L350 VanDerWaalsContact O-N 3.08Å; E348-A351 HydrophobicContact CB-CB 4.21Å; E348-A351 WeakPolarHBondContact O-CA 3.44Å; E348-A351 WeakPolarHBondContact O-CB 3.49Å; E348-A351 PolarHBondContact O-N 2.96Å; E348-Y352 PolarHBondContact OE1-OH 3.2Å; E348-Y426 PolarHBondContact OE2-OH 3.04Å; E348-M463 VanDerWaalsContact N-CE 3.27Å; E348-G481 WeakPolarHBondContact OE1-CA 3.26Å; E348-G482 PolarHBondContact OE1-N 3.05Å
349F89.8Confident83.8Confident17 Ų1728 Ų288%0.07515%0.154CC..THydrogen-bonded Turntrans35.3-113.4-179.5-56.5-56.3000114.2Y338 G341 R347 V459 I460 M463Y338-F349 HydrophobicContact CE2-CE1 4.48Å; Y338-F349 WeakPolarHBondContact O-CD2 3.44Å; G341-F349 VanDerWaalsContact CA-CD2 3.49Å; R347-F349 VanDerWaalsContact C-N 3.29Å; R347-F349 HydrophobicContact CB-CE2 4.35Å; R347-F349 HydrophobicContact CB-CZ 4.34Å; R347-F349 PolarHBondContact O-N 3.3Å; F349-V459 HydrophobicContact CB-CG1 4.2Å; F349-V459 HydrophobicContact CD1-CG1 3.72Å; F349-V459 HydrophobicContact CG-CG1 4.44Å; F349-I460 HydrophobicContact CE1-CD1 3.61Å; F349-I460 HydrophobicContact CE1-CG1 4.26Å; F349-I460 HydrophobicContact CZ-CD1 4.34Å; F349-M463 HydrophobicContact CD1-CE 4.27Å; F349-M463 HydrophobicContact CD1-SD 3.69Å; F349-M463 HydrophobicContact CE1-SD 4.25Å; F349-M463 HydrophobicContact CG-SD 4.47Å
350L95.1Very high83.7Confident1 Ų131 Ų311%0.00517%0.171CC..THydrogen-bonded Turntrans-10727.8175.6-60.2-175.3000112.2I63 A67 V70 L339 E348 Y352 A353 V354 Y427 L430I63-L350 HydrophobicContact CD1-CD2 4.12Å; A67-L350 HydrophobicContact CB-CD1 4.39Å; V70-L350 HydrophobicContact CB-CD1 4.42Å; V70-L350 HydrophobicContact CG2-CD1 4.14Å; L339-L350 HydrophobicContact CD2-CB 4.28Å; L339-L350 HydrophobicContact CD2-CD1 3.78Å; L339-L350 HydrophobicContact CD2-CG 4.48Å; L339-L350 CarbonylContact O-C 3.55Å; L339-L350 PolarHBondContact O-N 3.35Å; E348-L350 PolarHBondContact O-N 2.03Å; E348-L350 VanDerWaalsContact O-N 3.08Å; L350-Y352 VanDerWaalsContact C-N 3.33Å; L350-Y352 PolarHBondContact O-N 3.12Å; L350-A353 HydrophobicContact CB-CB 4.45Å; L350-A353 WeakPolarHBondContact O-CB 3.36Å; L350-A353 PolarHBondContact O-N 3.22Å; L350-V354 PolarHBondContact O-N 2.97Å; L350-Y427 HydrophobicContact CD2-CD1 4.01Å; L350-Y427 HydrophobicContact CD2-CE1 3.84Å; L350-L430 HydrophobicContact CD2-CD1 3.78Å
351A94.6Very high83.7Confident1 Ų134.3 Ų34.31%0.00819%0.185CC..Hα-helixtrans-51.5-43.5-172.300000114.2L339 T340 E348 V354 G355 S483L339-A351 PolarHBondContact O-N 3.48Å; T340-A351 WeakPolarHBondContact O-CB 3.49Å; E348-A351 HydrophobicContact CB-CB 4.21Å; E348-A351 WeakPolarHBondContact O-CA 3.44Å; E348-A351 WeakPolarHBondContact O-CB 3.49Å; E348-A351 PolarHBondContact O-N 2.96Å; A351-V354 WeakPolarHBondContact O-CG1 2.99Å; A351-G355 WeakPolarHBondContact O-CA 3Å; A351-G355 PolarHBondContact O-N 3.39Å; A351-S483 WeakPolarHBondContact O-CB 3.42Å; A351-S483 PolarHBondContact O-OG 2.9Å
352Y95.1Very high84Confident12 Ų1238.1 Ų38.15%0.04720%0.196CC..Hα-helixtrans-75.5-34.3-179.4-62.6-55.9000111.8E348 L350 G355 R356 P414 F416 I417 Y426 Y427 F480 G481 G482E348-Y352 PolarHBondContact OE1-OH 3.2Å; L350-Y352 VanDerWaalsContact C-N 3.33Å; L350-Y352 PolarHBondContact O-N 3.12Å; Y352-G355 PolarHBondContact O-N 3.31Å; Y352-R356 WeakPolarHBondContact O-CB 3.17Å; Y352-R356 PolarHBondContact O-N 2.81Å; Y352-P414 HydrophobicContact CD1-CG 3.89Å; Y352-P414 HydrophobicContact CE1-CG 3.74Å; Y352-F416 HydrophobicContact CD1-CZ 4.34Å; Y352-F416 AromaticContact CD2-CZ 3.93Å; Y352-F416 HydrophobicContact CD2-CZ 3.93Å; Y352-F416 HydrophobicContact CE2-CZ 4.35Å; Y352-F416 AromaticContact CG-CZ 3.95Å; Y352-F416 HydrophobicContact CG-CZ 3.95Å; Y352-I417 HydrophobicContact CD1-CG2 4.09Å; Y352-I417 HydrophobicContact CG-CG2 4.18Å; Y352-Y426 AromaticContact CD2-CE1 3.88Å; Y352-Y426 HydrophobicContact CD2-CE1 3.88Å; Y352-Y426 HydrophobicContact CD2-CE2 4.49Å; Y352-Y426 AromaticContact CD2-CZ 3.84Å; Y352-Y426 HydrophobicContact CE2-CE1 4.33Å; Y352-Y426 HydrophobicContact CE2-CE2 4.43Å; Y352-Y426 AromaticContact CE2-CZ 3.84Å; Y352-Y427 WeakPolarHBondContact CB-OH 3.41Å; Y352-Y427 PolarHBondContact N-OH 3.47Å; Y352-Y427 VanDerWaalsContact N-OH 3.15Å; Y352-F480 HydrophobicContact CE1-CB 4.29Å; Y352-F480 HydrophobicContact CE1-CD1 4.43Å; Y352-G481 PolarHBondContact OH-N 3.45Å; Y352-G482 VanDerWaalsContact CE1-O 3.3Å; Y352-G482 WeakPolarHBondContact CE1-O 3.49Å
353A96.1Very high85Confident0 Ų033.9 Ų33.90%018%0.176CC..Hα-helixtrans-64.8-50.7174.400000111.2I63 L64 A67 L350 G355 R356 V357 Y427I63-A353 HydrophobicContact CG1-CB 3.7Å; I63-A353 HydrophobicContact CG2-CB 4.17Å; L64-A353 HydrophobicContact CD2-CB 4.29Å; L64-A353 WeakPolarHBondContact CD2-O 3.21Å; A67-A353 HydrophobicContact CB-CB 4.33Å; L350-A353 HydrophobicContact CB-CB 4.45Å; L350-A353 WeakPolarHBondContact O-CB 3.36Å; L350-A353 PolarHBondContact O-N 3.22Å; A353-G355 VanDerWaalsContact C-N 3.3Å; A353-G355 PolarHBondContact O-N 2.75Å; A353-R356 WeakPolarHBondContact O-CB 3.27Å; A353-R356 PolarHBondContact O-N 3.3Å; A353-V357 WeakPolarHBondContact O-CG2 3.19Å; A353-V357 PolarHBondContact O-N 2.85Å; A353-V357 VanDerWaalsContact O-N 3.13Å; A353-Y427 HydrophobicContact CB-CE2 4.21Å
354V95.3Very high86.3Confident1 Ų136 Ų361%0.00619%0.189CC..Hα-helixtrans-69.7-29.7176.5740000112.4I47 L339 L350 A351 V357 F358I47-V354 HydrophobicContact CD1-CG2 4.14Å; I47-V354 HydrophobicContact CG2-CG2 3.57Å; L339-V354 HydrophobicContact CB-CB 4.18Å; L339-V354 HydrophobicContact CB-CG1 4.33Å; L339-V354 HydrophobicContact CB-CG2 4.24Å; L350-V354 PolarHBondContact O-N 2.97Å; A351-V354 WeakPolarHBondContact O-CG1 2.99Å; V354-V357 WeakPolarHBondContact O-CB 3.37Å; V354-V357 PolarHBondContact O-N 3.17Å; V354-F358 PolarHBondContact O-N 3.11Å; V354-F358 VanDerWaalsContact O-N 3.09Å
355G96Very high88Confident0 Ų036.5 Ų36.50%020%0.2CC..Hα-helixtrans-60.5-44.417100000112.3A351 Y352 A353 F358 V359A351-G355 WeakPolarHBondContact O-CA 3Å; A351-G355 PolarHBondContact O-N 3.39Å; Y352-G355 PolarHBondContact O-N 3.31Å; A353-G355 VanDerWaalsContact C-N 3.3Å; A353-G355 PolarHBondContact O-N 2.75Å; G355-F358 PolarHBondContact O-N 3.06Å; G355-V359 WeakPolarHBondContact O-CB 3.45Å; G355-V359 VanDerWaalsContact O-CG2 3.25Å; G355-V359 WeakPolarHBondContact O-CG2 3.05Å; G355-V359 PolarHBondContact O-N 3.47Å
356R96Very high89.9Confident24 Ų2437.3 Ų37.39%0.09120%0.2CC..Hα-helixtrans-59.9-46.4173.5169.259.1177.2-146.5-49.4111.5L64 Y352 A353 F358 V359 D360 I417 M418 D420 L423L64-R356 HydrophobicContact CD1-CG 4.08Å; L64-R356 HydrophobicContact CD2-CB 4.26Å; L64-R356 HydrophobicContact CD2-CG 4.04Å; Y352-R356 WeakPolarHBondContact O-CB 3.17Å; Y352-R356 PolarHBondContact O-N 2.81Å; A353-R356 WeakPolarHBondContact O-CB 3.27Å; A353-R356 PolarHBondContact O-N 3.3Å; R356-F358 PolarHBondContact O-N 3.02Å; R356-V359 PolarHBondContact O-N 3.27Å; R356-D360 VanDerWaalsContact CD-OD1 3.27Å; R356-D360 WeakPolarHBondContact CD-OD1 3.46Å; R356-D360 WeakPolarHBondContact CD-OD2 3.45Å; R356-D360 IonicContact CZ-OD1 2.72Å; R356-D360 VanDerWaalsContact CZ-OD1 3.23Å; R356-D360 IonicContact CZ-OD2 3.67Å; R356-D360 VanDerWaalsContact NE-CG 3.29Å; R356-D360 IonicContact NE-OD1 3.41Å; R356-D360 PolarHBondContact NE-OD1 3.21Å; R356-D360 IonicContact NE-OD2 3.54Å; R356-D360 PolarHBondContact NE-OD2 3.32Å; R356-D360 IonicContact NH1-OD1 2.76Å; R356-D360 PolarHBondContact NH1-OD1 3.25Å; R356-D360 IonicContact NH1-OD2 2.9Å; R356-D360 PolarHBondContact O-N 2.84Å; R356-D360 VanDerWaalsContact O-N 3.1Å; R356-I417 HydrophobicContact CB-CB 4.47Å; R356-I417 HydrophobicContact CB-CD1 4.27Å; R356-I417 HydrophobicContact CB-CG1 4.43Å; R356-I417 VanDerWaalsContact CD-O 3.3Å; R356-I417 WeakPolarHBondContact CD-O 3.07Å; R356-M418 VanDerWaalsContact NH1-CA 3.31Å; R356-M418 PolarHBondContact NH1-O 3.12Å; R356-M418 PolarHBondContact NH1-SD 2.93Å; R356-M418 PolarHBondContact NH2-O 2.88Å; R356-D420 IonicContact NH2-OD1 3.85Å; R356-D420 PolarHBondContact NH2-OD1 2.66Å; R356-L423 HydrophobicContact CB-CD2 3.98Å; R356-L423 HydrophobicContact CG-CD2 3.95Å
357V95.8Very high91.5Very high3 Ų335.5 Ų35.52%0.01818%0.179CC..Hα-helixtrans-52.7-43.5174.9175.80000111.5I50 L51 L57 L64 A353 V354 H361I50-V357 HydrophobicContact CB-CG1 3.87Å; I50-V357 HydrophobicContact CD1-CG1 4.19Å; I50-V357 HydrophobicContact CG2-CG1 3.42Å; I50-V357 VanDerWaalsContact CG2-CG1 3.42Å; L51-V357 HydrophobicContact CD2-CG1 4.32Å; L51-V357 HydrophobicContact CD2-CG2 4.35Å; L57-V357 HydrophobicContact CD1-CG1 4.48Å; L57-V357 HydrophobicContact CD1-CG2 3.75Å; L64-V357 HydrophobicContact CD2-CG2 3.89Å; A353-V357 WeakPolarHBondContact O-CG2 3.19Å; A353-V357 PolarHBondContact O-N 2.85Å; A353-V357 VanDerWaalsContact O-N 3.13Å; V354-V357 WeakPolarHBondContact O-CB 3.37Å; V354-V357 PolarHBondContact O-N 3.17Å; V357-H361 PolarHBondContact O-CD2 2.79Å
358F95.6Very high92.7Very high0 Ų035.7 Ų35.70%018%0.182CC..Hα-helixtrans-73.6-46.9-179.8179.6-100.5000113.3V43 I47 V354 G355 R356 D360 H361 Y362 A485 A502 A503V43-F358 HydrophobicContact CB-CE2 4.19Å; V43-F358 HydrophobicContact CG1-CD2 4.08Å; V43-F358 HydrophobicContact CG1-CE2 3.73Å; V43-F358 HydrophobicContact CG1-CZ 4.2Å; V43-F358 HydrophobicContact CG2-CE2 3.87Å; V43-F358 HydrophobicContact CG2-CZ 3.87Å; I47-F358 HydrophobicContact CD1-CB 4.49Å; I47-F358 HydrophobicContact CD1-CD2 4.41Å; I47-F358 HydrophobicContact CG1-CB 4.2Å; I47-F358 HydrophobicContact CG1-CD2 3.99Å; V354-F358 PolarHBondContact O-N 3.11Å; V354-F358 VanDerWaalsContact O-N 3.09Å; G355-F358 PolarHBondContact O-N 3.06Å; R356-F358 PolarHBondContact O-N 3.02Å; F358-D360 VanDerWaalsContact C-N 3.32Å; F358-D360 PolarHBondContact O-N 3.45Å; F358-H361 PolarHBondContact O-N 3.08Å; F358-Y362 AromaticContact CD2-CD2 3.91Å; F358-Y362 HydrophobicContact CD2-CD2 3.91Å; F358-Y362 HydrophobicContact CD2-CG 4.36Å; F358-Y362 HydrophobicContact CE2-CD2 4.02Å; F358-Y362 HydrophobicContact CE2-CG 4.07Å; F358-Y362 PolarHBondContact O-N 3.32Å; F358-A485 HydrophobicContact CB-CB 4.05Å; F358-A485 HydrophobicContact CG-CB 4.27Å; F358-A502 HydrophobicContact CD1-CB 4.26Å; F358-A502 HydrophobicContact CE1-CB 4.08Å; F358-A503 HydrophobicContact CD1-CB 4.5Å; F358-A503 HydrophobicContact CE1-CB 3.77Å; F358-A503 HydrophobicContact CZ-CB 3.88Å
359V95.6Very high93.5Very high3 Ų336.9 Ų36.92%0.01820%0.198CC..Hα-helixtrans-62.2-38.5-175.2165.30000111.8G355 R356 H361 F363 Y413 M418 P484 A502G355-V359 WeakPolarHBondContact O-CB 3.45Å; G355-V359 VanDerWaalsContact O-CG2 3.25Å; G355-V359 WeakPolarHBondContact O-CG2 3.05Å; G355-V359 PolarHBondContact O-N 3.47Å; R356-V359 PolarHBondContact O-N 3.27Å; V359-H361 PolarHBondContact O-N 2.97Å; V359-F363 HydrophobicContact CG1-CB 4.35Å; V359-F363 PolarHBondContact O-N 2.86Å; V359-Y413 HydrophobicContact CB-CD1 4.28Å; V359-Y413 HydrophobicContact CG1-CD1 3.39Å; V359-Y413 HydrophobicContact CG1-CE1 3.48Å; V359-Y413 VanDerWaalsContact CG1-CE1 3.48Å; V359-Y413 HydrophobicContact CG1-CG 4.01Å; V359-Y413 HydrophobicContact CG2-CD1 3.83Å; V359-Y413 HydrophobicContact CG2-CG 4.19Å; V359-M418 HydrophobicContact CG1-CE 4.2Å; V359-M418 HydrophobicContact CG1-SD 3.85Å; V359-P484 HydrophobicContact CG2-CB 3.83Å; V359-A502 HydrophobicContact CG2-CB 3.83Å
360D94.1Very high93.8Very high66 Ų6637.2 Ų37.235%0.35320%0.2SC..Hα-helixtrans-58-23.5-179.3-75.9-13.1000113.3R356 F358R356-D360 VanDerWaalsContact CD-OD1 3.27Å; R356-D360 WeakPolarHBondContact CD-OD1 3.46Å; R356-D360 WeakPolarHBondContact CD-OD2 3.45Å; R356-D360 IonicContact CZ-OD1 2.72Å; R356-D360 VanDerWaalsContact CZ-OD1 3.23Å; R356-D360 IonicContact CZ-OD2 3.67Å; R356-D360 VanDerWaalsContact NE-CG 3.29Å; R356-D360 IonicContact NE-OD1 3.41Å; R356-D360 PolarHBondContact NE-OD1 3.21Å; R356-D360 IonicContact NE-OD2 3.54Å; R356-D360 PolarHBondContact NE-OD2 3.32Å; R356-D360 IonicContact NH1-OD1 2.76Å; R356-D360 PolarHBondContact NH1-OD1 3.25Å; R356-D360 IonicContact NH1-OD2 2.9Å; R356-D360 PolarHBondContact O-N 2.84Å; R356-D360 VanDerWaalsContact O-N 3.1Å; F358-D360 VanDerWaalsContact C-N 3.32Å; F358-D360 PolarHBondContact O-N 3.45Å
361H93.3Very high93.9Very high86 Ų8637.2 Ų37.240%0.39820%0.2SC..Hα-helixtrans-115.1-28.8-175.5-67.5-89.4000114.5I50 L56 V357 F358 V359I50-H361 HydrophobicContact CD1-CB 4.03Å; L56-H361 PolarHBondContact O-CE1 3.48Å; L56-H361 PolarHBondContact O-NE2 2.86Å; V357-H361 PolarHBondContact O-CD2 2.79Å; F358-H361 PolarHBondContact O-N 3.08Å; V359-H361 PolarHBondContact O-N 2.97Å
362Y92.8Very high94Very high91 Ų9140.2 Ų40.236%0.35721%0.214SC..Hα-helixtrans-120.94.4-166.2-67.9-80.4000115.2S46 I50 F358S46-Y362 WeakPolarHBondContact CB-OH 3.3Å; S46-Y362 PolarHBondContact OG-OH 3.25Å; I50-Y362 HydrophobicContact CD1-CD2 4.27Å; I50-Y362 HydrophobicContact CD1-CE2 3.73Å; F358-Y362 AromaticContact CD2-CD2 3.91Å; F358-Y362 HydrophobicContact CD2-CD2 3.91Å; F358-Y362 HydrophobicContact CD2-CG 4.36Å; F358-Y362 HydrophobicContact CE2-CD2 4.02Å; F358-Y362 HydrophobicContact CE2-CG 4.07Å; F358-Y362 PolarHBondContact O-N 3.32Å
363F92Very high94.1Very high21 Ų2142 Ų429%0.09222%0.223CC..  trans-134.8140-179.8-166.2-96.7000112.8V359 K368 Y413 A502 L505V359-F363 HydrophobicContact CG1-CB 4.35Å; V359-F363 PolarHBondContact O-N 2.86Å; F363-K368 HydrophobicContact CE1-CB 4.1Å; F363-K368 HydrophobicContact CZ-CB 4.15Å; F363-Y413 AromaticContact CD1-CD1 3.97Å; F363-Y413 HydrophobicContact CD1-CD1 3.97Å; F363-Y413 AromaticContact CD1-CE1 3.65Å; F363-Y413 HydrophobicContact CD1-CE1 3.65Å; F363-Y413 HydrophobicContact CE1-CD1 4.23Å; F363-Y413 AromaticContact CE1-CE1 3.93Å; F363-Y413 HydrophobicContact CE1-CE1 3.93Å; F363-A502 HydrophobicContact CB-CB 3.98Å; F363-A502 HydrophobicContact CD2-CB 3.64Å; F363-A502 HydrophobicContact CE2-CB 4.29Å; F363-A502 HydrophobicContact CG-CB 3.78Å; F363-L505 HydrophobicContact CE2-CB 4.04Å; F363-L505 HydrophobicContact CE2-CD1 3.48Å; F363-L505 VanDerWaalsContact CE2-CD1 3.48Å; F363-L505 HydrophobicContact CE2-CG 4.37Å; F363-L505 HydrophobicContact CZ-CD1 3.91Å
364T88Confident94.2Very high72 Ų7242.2 Ų42.244%0.44222%0.224SC..  trans-123.9157.5-175.268.80000111.6E366 S367 K368T364-E366 PolarHBondContact O-N 3.01Å; T364-S367 PolarHBondContact O-N 3.03Å; T364-S367 PolarHBondContact OG1-N 3.4Å; T364-S367 PolarHBondContact OG1-OG 2.74Å; T364-K368 PolarHBondContact O-N 3.37Å
365S87Confident94.3Very high104 Ų10442.2 Ų42.273%0.72722%0.224SC*.Hα-helixtrans-64-26.6173.554.30000113K368 A369S365-K368 WeakPolarHBondContact O-CB 3.42Å; S365-K368 PolarHBondContact O-N 3.26Å; S365-A369 PolarHBondContact O-N 2.94Å; S365-A369 VanDerWaalsContact O-N 3.16Å
366E90.6Very high94.4Very high129 Ų12946.1 Ų46.160%0.60325%0.245SC*.Hα-helixtrans-65-46.7175.6-173.9178.5-176.700111.2T364 K368 A369 D370T364-E366 PolarHBondContact O-N 3.01Å; E366-K368 PolarHBondContact O-N 3.1Å; E366-A369 PolarHBondContact O-N 2.84Å; E366-D370 PolarHBondContact O-N 3.02Å
367S93.2Very high94.5Very high16 Ų1645.4 Ų45.411%0.11224%0.243CC..Hα-helixtrans-57.1-39.2173.8-62.80000111.9T364 A369 I371T364-S367 PolarHBondContact O-N 3.03Å; T364-S367 PolarHBondContact OG1-N 3.4Å; T364-S367 PolarHBondContact OG1-OG 2.74Å; S367-A369 VanDerWaalsContact C-N 3.35Å; S367-A369 PolarHBondContact O-N 3.11Å; S367-I371 VanDerWaalsContact O-CG1 3.26Å; S367-I371 WeakPolarHBondContact O-CG1 3.28Å; S367-I371 PolarHBondContact O-N 3.34Å; S367-I371 VanDerWaalsContact O-N 3.13Å
368K93.9Very high94.6Very high65 Ų6545.2 Ų45.228%0.28324%0.242SC..Hα-helixtrans-62.3-41.2176.7-168.3170.8-177.7172.10111.9F363 T364 S365 E366 Q372 I411 D415F363-K368 HydrophobicContact CE1-CB 4.1Å; F363-K368 HydrophobicContact CZ-CB 4.15Å; T364-K368 PolarHBondContact O-N 3.37Å; S365-K368 WeakPolarHBondContact O-CB 3.42Å; S365-K368 PolarHBondContact O-N 3.26Å; E366-K368 PolarHBondContact O-N 3.1Å; K368-Q372 PolarHBondContact O-N 2.92Å; K368-Q372 VanDerWaalsContact O-N 3.08Å; K368-I411 HydrophobicContact CB-CG2 4.5Å; K368-I411 HydrophobicContact CG-CB 4.16Å; K368-I411 HydrophobicContact CG-CG2 3.99Å; K368-D415 IonicContact NZ-OD1 2.84Å
369A94.6Very high94.7Very high63 Ų6346.5 Ų46.552%0.52125%0.248SC..Hα-helixtrans-69.7-44.3179.200000112.6S365 E366 S367 I371 Q372 E373S365-A369 PolarHBondContact O-N 2.94Å; S365-A369 VanDerWaalsContact O-N 3.16Å; E366-A369 PolarHBondContact O-N 2.84Å; S367-A369 VanDerWaalsContact C-N 3.35Å; S367-A369 PolarHBondContact O-N 3.11Å; A369-I371 VanDerWaalsContact C-N 3.32Å; A369-I371 PolarHBondContact O-N 3.19Å; A369-Q372 PolarHBondContact O-N 3.18Å; A369-E373 PolarHBondContact O-N 2.82Å
370D95.1Very high94.9Very high24 Ų2448.9 Ų48.913%0.12827%0.265CS..Hα-helixtrans-56.7-45.2175.5-89.4-38.6000111.6E366 E373 M374 F510 S512 K516E366-D370 PolarHBondContact O-N 3.02Å; D370-E373 PolarHBondContact O-N 2.96Å; D370-M374 WeakPolarHBondContact O-CG 3.36Å; D370-M374 PolarHBondContact O-N 3.03Å; D370-M374 VanDerWaalsContact O-N 3.12Å; D370-F510 HydrophobicContact CB-CE2 3.92Å; D370-F510 HydrophobicContact CB-CZ 3.6Å; D370-S512 WeakPolarHBondContact OD2-CB 3.47Å; D370-S512 PolarHBondContact OD2-OG 2.91Å; D370-K516 IonicContact OD1-NZ 2.85Å; D370-K516 PolarHBondContact OD1-NZ 3.49Å; D370-K516 IonicContact OD2-NZ 3.85Å
371I97.2Very high95Very high0 Ų045.8 Ų45.80%025%0.248CC..Hα-helixtrans-68.8-38.1179.5-64.7-61.9000111.6S367 A369 E373 M374 I375 I411 L505 F510 M523 I527S367-I371 VanDerWaalsContact O-CG1 3.26Å; S367-I371 WeakPolarHBondContact O-CG1 3.28Å; S367-I371 PolarHBondContact O-N 3.34Å; S367-I371 VanDerWaalsContact O-N 3.13Å; A369-I371 VanDerWaalsContact C-N 3.32Å; A369-I371 PolarHBondContact O-N 3.19Å; I371-E373 VanDerWaalsContact C-N 3.34Å; I371-E373 PolarHBondContact O-N 3.46Å; I371-M374 HydrophobicContact CD1-SD 4.48Å; I371-M374 WeakPolarHBondContact O-CB 3.47Å; I371-M374 PolarHBondContact O-N 3.29Å; I371-I375 HydrophobicContact CG2-CD1 4.04Å; I371-I375 HydrophobicContact CG2-CG1 4.48Å; I371-I375 WeakPolarHBondContact O-CG1 3.12Å; I371-I375 PolarHBondContact O-N 2.75Å; I371-I411 HydrophobicContact CB-CG2 3.99Å; I371-I411 HydrophobicContact CG2-CD1 4.08Å; I371-I411 HydrophobicContact CG2-CG1 4.19Å; I371-I411 HydrophobicContact CG2-CG2 3.78Å; I371-L505 HydrophobicContact CD1-CD2 3.7Å; I371-L505 HydrophobicContact CG1-CD1 4.12Å; I371-L505 HydrophobicContact CG1-CD2 3.83Å; I371-F510 HydrophobicContact CD1-CD1 4.41Å; I371-F510 HydrophobicContact CD1-CD2 3.69Å; I371-F510 HydrophobicContact CD1-CE2 3.89Å; I371-F510 HydrophobicContact CD1-CG 3.97Å; I371-F510 HydrophobicContact CD1-CZ 4.34Å; I371-F510 HydrophobicContact CG1-CE2 4.48Å; I371-F510 HydrophobicContact CG1-CZ 4.48Å; I371-M523 HydrophobicContact CD1-CG 3.73Å; I371-I527 HydrophobicContact CG2-CD1 4.3Å
372Q96.9Very high95.3Very high65 Ų6541.7 Ų41.730%0.30423%0.229SC..Hα-helixtrans-61.1-43.3174.9-174.560.657.300111.4K368 A369 M374 I375 D376 I411K368-Q372 PolarHBondContact O-N 2.92Å; K368-Q372 VanDerWaalsContact O-N 3.08Å; A369-Q372 PolarHBondContact O-N 3.18Å; Q372-M374 VanDerWaalsContact C-N 3.3Å; Q372-M374 PolarHBondContact O-N 3.13Å; Q372-I375 PolarHBondContact O-N 3.26Å; Q372-D376 PolarHBondContact NE2-OD1 2.94Å; Q372-D376 VanDerWaalsContact O-CG 3.25Å; Q372-D376 PolarHBondContact O-N 3.32Å; Q372-I411 HydrophobicContact CB-CD1 3.97Å; Q372-I411 VanDerWaalsContact OE1-CD1 3.3Å
373E96.6Very high95.5Very high49 Ų4939 Ų3923%0.22922%0.221CC..Hα-helixtrans-61.6-39.5175.4-177.1-178.7-16700111.9A369 D370 I371 D376 N377 R614 H615A369-E373 PolarHBondContact O-N 2.82Å; D370-E373 PolarHBondContact O-N 2.96Å; I371-E373 VanDerWaalsContact C-N 3.34Å; I371-E373 PolarHBondContact O-N 3.46Å; E373-D376 PolarHBondContact O-N 3.3Å; E373-N377 WeakPolarHBondContact O-CB 3.49Å; E373-N377 PolarHBondContact O-N 3.3Å; E373-N377 PolarHBondContact O-ND2 3.2Å; E373-N377 VanDerWaalsContact O-ND2 3.1Å; E373-R614 IonicContact OE1-CZ 3.64Å; E373-R614 IonicContact OE1-NH1 3.53Å; E373-R614 IonicContact OE1-NH2 2.69Å; E373-R614 PolarHBondContact OE1-NH2 3.43Å; E373-H615 IonicContact OE1-CE1 3.35Å; E373-H615 PolarHBondContact OE1-CE1 3.33Å
374M98Very high95.8Very high4 Ų440.3 Ų40.32%0.0223%0.231CC..Hα-helixtrans-60.3-48.5174.3-71.2-166.5162.200111.5D370 I371 Q372 D376 N377 L378 N519 Y520 I527D370-M374 WeakPolarHBondContact O-CG 3.36Å; D370-M374 PolarHBondContact O-N 3.03Å; D370-M374 VanDerWaalsContact O-N 3.12Å; I371-M374 HydrophobicContact CD1-SD 4.48Å; I371-M374 WeakPolarHBondContact O-CB 3.47Å; I371-M374 PolarHBondContact O-N 3.29Å; Q372-M374 VanDerWaalsContact C-N 3.3Å; Q372-M374 PolarHBondContact O-N 3.13Å; M374-D376 VanDerWaalsContact C-N 3.34Å; M374-D376 PolarHBondContact O-N 3.02Å; M374-N377 PolarHBondContact O-N 3.25Å; M374-L378 WeakPolarHBondContact O-CD1 3.19Å; M374-L378 PolarHBondContact O-N 3.47Å; M374-N519 HydrophobicContact CE-CB 3.3Å; M374-N519 HydrophobicContact SD-CB 4.4Å; M374-Y520 HydrophobicContact CB-CE1 4.45Å; M374-Y520 HydrophobicContact CE-CD1 4.49Å; M374-Y520 HydrophobicContact CE-CD2 3.55Å; M374-Y520 HydrophobicContact CE-CE2 3.61Å; M374-Y520 HydrophobicContact CE-CG 4Å; M374-Y520 HydrophobicContact CG-CE1 4.11Å; M374-Y520 HydrophobicContact CG-CE2 4.27Å; M374-I527 HydrophobicContact CB-CD1 3.71Å; M374-I527 HydrophobicContact SD-CD1 4.47Å
375I98.1Very high96.2Very high1 Ų137.3 Ų37.31%0.00521%0.212CC..Hα-helixtrans-56.8-47.7177.5-68.3168000110.7I371 Q372 N377 L378 I379 I411 I498 F500 I527I371-I375 HydrophobicContact CG2-CD1 4.04Å; I371-I375 HydrophobicContact CG2-CG1 4.48Å; I371-I375 WeakPolarHBondContact O-CG1 3.12Å; I371-I375 PolarHBondContact O-N 2.75Å; Q372-I375 PolarHBondContact O-N 3.26Å; I375-N377 VanDerWaalsContact C-N 3.33Å; I375-N377 PolarHBondContact O-N 3.15Å; I375-L378 PolarHBondContact O-N 3.19Å; I375-L378 VanDerWaalsContact O-N 3.15Å; I375-I379 HydrophobicContact CG2-CD1 3.78Å; I375-I379 HydrophobicContact CG2-CG1 4.29Å; I375-I379 WeakPolarHBondContact O-CG1 3.37Å; I375-I379 PolarHBondContact O-N 2.79Å; I375-I411 HydrophobicContact CD1-CD1 3.76Å; I375-I411 HydrophobicContact CD1-CG1 3.99Å; I375-I498 HydrophobicContact CD1-CD1 4.47Å; I375-I498 HydrophobicContact CG2-CD1 4.33Å; I375-F500 HydrophobicContact CD1-CD2 4.1Å; I375-F500 HydrophobicContact CD1-CE2 3.84Å; I375-F500 HydrophobicContact CG1-CE2 4.29Å; I375-I527 HydrophobicContact CG1-CD1 4.15Å; I375-I527 HydrophobicContact CG1-CG1 4.39Å; I375-I527 HydrophobicContact CG1-CG2 3.76Å
376D97.9Very high96.7Very high82 Ų8232.3 Ų32.344%0.43918%0.177SC..Hα-helixtrans-61.1-42.1-179.4-64.9-15.3000111.8Q372 E373 M374 S380Q372-D376 PolarHBondContact NE2-OD1 2.94Å; Q372-D376 VanDerWaalsContact O-CG 3.25Å; Q372-D376 PolarHBondContact O-N 3.32Å; E373-D376 PolarHBondContact O-N 3.3Å; M374-D376 VanDerWaalsContact C-N 3.34Å; M374-D376 PolarHBondContact O-N 3.02Å; D376-S380 VanDerWaalsContact O-CB 3.29Å; D376-S380 WeakPolarHBondContact O-CB 3.36Å; D376-S380 PolarHBondContact O-N 2.69Å; D376-S380 PolarHBondContact O-OG 2.83Å
377N98.1Very high97.1Very high9 Ų930.2 Ų30.25%0.04817%0.17CC..Hα-helixtrans-66.5-35.9176.3-76.5-39.3000112.7E373 M374 I375 S381 Y520 R614E373-N377 WeakPolarHBondContact O-CB 3.49Å; E373-N377 PolarHBondContact O-N 3.3Å; E373-N377 PolarHBondContact O-ND2 3.2Å; E373-N377 VanDerWaalsContact O-ND2 3.1Å; M374-N377 PolarHBondContact O-N 3.25Å; I375-N377 VanDerWaalsContact C-N 3.33Å; I375-N377 PolarHBondContact O-N 3.15Å; N377-S381 WeakPolarHBondContact O-CB 3.39Å; N377-S381 PolarHBondContact O-N 3.21Å; N377-S381 PolarHBondContact O-OG 3.46Å; N377-Y520 HydrophobicContact CB-CE1 4.44Å; N377-Y520 PolarHBondContact ND2-OH 3.12Å; N377-R614 PolarHBondContact ND2-NH2 3.48Å; N377-R614 PolarHBondContact OD1-NH2 2.8Å
378L98.4Very high97.2Very high0 Ų036.3 Ų36.30%020%0.197CC..Hα-helixtrans-76.4-43.7179.7-93.171.9000112M374 I375 S380 S381 F382 Y520 G524 I527 G528 I531 A604M374-L378 WeakPolarHBondContact O-CD1 3.19Å; M374-L378 PolarHBondContact O-N 3.47Å; I375-L378 PolarHBondContact O-N 3.19Å; I375-L378 VanDerWaalsContact O-N 3.15Å; L378-S380 VanDerWaalsContact C-N 3.28Å; L378-S380 PolarHBondContact O-N 3.44Å; L378-S381 CarbonylContact O-C 3.35Å; L378-S381 WeakPolarHBondContact O-CA 3.35Å; L378-S381 WeakPolarHBondContact O-CB 3.23Å; L378-S381 PolarHBondContact O-N 2.93Å; L378-S381 VanDerWaalsContact O-N 3.08Å; L378-F382 WeakPolarHBondContact O-CB 3.5Å; L378-F382 PolarHBondContact O-N 3.41Å; L378-Y520 HydrophobicContact CD1-CD1 3.91Å; L378-Y520 HydrophobicContact CD1-CE1 3.61Å; L378-G524 WeakPolarHBondContact CD2-O 3.46Å; L378-I527 HydrophobicContact CB-CG2 4.35Å; L378-I527 HydrophobicContact CD2-CB 3.85Å; L378-I527 HydrophobicContact CD2-CG2 3.71Å; L378-G528 VanDerWaalsContact CD2-N 3.34Å; L378-I531 HydrophobicContact CB-CD1 3.86Å; L378-A604 HydrophobicContact CD2-CB 4.38Å
379I98.1Very high97.3Very high26 Ų2633.9 Ų33.913%0.13319%0.187CC..Hα-helixtrans-56.5-47.2171.3-69176.2000109.5I375 S381 F382 L383 L405 I531I375-I379 HydrophobicContact CG2-CD1 3.78Å; I375-I379 HydrophobicContact CG2-CG1 4.29Å; I375-I379 WeakPolarHBondContact O-CG1 3.37Å; I375-I379 PolarHBondContact O-N 2.79Å; I379-S381 VanDerWaalsContact C-N 3.29Å; I379-S381 PolarHBondContact O-N 3.45Å; I379-F382 PolarHBondContact O-N 3.01Å; I379-L383 HydrophobicContact CG2-CD1 4.3Å; I379-L383 HydrophobicContact CG2-CG 4.48Å; I379-L383 VanDerWaalsContact O-CG 3.29Å; I379-L383 WeakPolarHBondContact O-CG 3.24Å; I379-L383 PolarHBondContact O-N 3.2Å; I379-L405 HydrophobicContact CG2-CD2 4.45Å; I379-I531 HydrophobicContact CG1-CD1 3.96Å
380S98Very high97.4Very high54 Ų5437.8 Ų37.838%0.37820%0.199SC..Hα-helixtrans-60.3-38.3177-61.80000112.8D376 L378 T384D376-S380 VanDerWaalsContact O-CB 3.29Å; D376-S380 WeakPolarHBondContact O-CB 3.36Å; D376-S380 PolarHBondContact O-N 2.69Å; D376-S380 PolarHBondContact O-OG 2.83Å; L378-S380 VanDerWaalsContact C-N 3.28Å; L378-S380 PolarHBondContact O-N 3.44Å; S380-T384 PolarHBondContact O-N 3.44Å; S380-T384 PolarHBondContact O-OG1 2.77Å
381S98Very high97.5Very high0 Ų037.8 Ų37.80%020%0.197CC..Hα-helixtrans-66.6-44.4175.1-60.90000112.3N377 L378 I379 L383 T384 I385 G607 R610N377-S381 WeakPolarHBondContact O-CB 3.39Å; N377-S381 PolarHBondContact O-N 3.21Å; N377-S381 PolarHBondContact O-OG 3.46Å; L378-S381 CarbonylContact O-C 3.35Å; L378-S381 WeakPolarHBondContact O-CA 3.35Å; L378-S381 WeakPolarHBondContact O-CB 3.23Å; L378-S381 PolarHBondContact O-N 2.93Å; L378-S381 VanDerWaalsContact O-N 3.08Å; I379-S381 VanDerWaalsContact C-N 3.29Å; I379-S381 PolarHBondContact O-N 3.45Å; S381-L383 VanDerWaalsContact C-N 3.34Å; S381-L383 PolarHBondContact O-N 2.89Å; S381-T384 WeakPolarHBondContact O-CB 3.13Å; S381-T384 PolarHBondContact O-N 3.5Å; S381-I385 WeakPolarHBondContact O-CG1 3.42Å; S381-I385 PolarHBondContact O-N 3.12Å; S381-G607 WeakPolarHBondContact OG-CA 3.33Å; S381-G607 PolarHBondContact OG-N 3.31Å; S381-R610 WeakPolarHBondContact OG-CD 3.42Å; S381-R610 PolarHBondContact OG-NH1 3.43Å
382F97.9Very high97.5Very high0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-62.9-39.2178.5-172.3-113.1000112.2L378 I379 T384 I385 I386 A404 I531 F535 E603 W697L378-F382 WeakPolarHBondContact O-CB 3.5Å; L378-F382 PolarHBondContact O-N 3.41Å; I379-F382 PolarHBondContact O-N 3.01Å; F382-T384 VanDerWaalsContact C-N 3.32Å; F382-T384 PolarHBondContact O-N 3.4Å; F382-I385 WeakPolarHBondContact O-CB 3.43Å; F382-I385 PolarHBondContact O-N 3.39Å; F382-I386 HydrophobicContact CD1-CD1 3.64Å; F382-I386 HydrophobicContact CD1-CG1 4.32Å; F382-I386 HydrophobicContact CE1-CD1 3.4Å; F382-I386 HydrophobicContact CE1-CG1 4.01Å; F382-I386 HydrophobicContact CG-CD1 4.46Å; F382-I386 HydrophobicContact CZ-CD1 4.07Å; F382-I386 HydrophobicContact CZ-CG1 4.2Å; F382-I386 WeakPolarHBondContact O-CG1 3.46Å; F382-I386 PolarHBondContact O-N 3.33Å; F382-A404 HydrophobicContact CD1-CB 3.92Å; F382-A404 HydrophobicContact CE1-CB 4.17Å; F382-I531 HydrophobicContact CD1-CG2 4.24Å; F382-I531 HydrophobicContact CG-CG2 4.28Å; F382-F535 HydrophobicContact CD1-CE2 4.13Å; F382-F535 HydrophobicContact CE1-CD1 4.49Å; F382-F535 AromaticContact CE1-CD2 3.46Å; F382-F535 HydrophobicContact CE1-CD2 3.46Å; F382-F535 VanDerWaalsContact CE1-CD2 3.46Å; F382-F535 HydrophobicContact CE1-CE1 4.29Å; F382-F535 AromaticContact CE1-CE2 3.21Å; F382-F535 HydrophobicContact CE1-CE2 3.21Å; F382-F535 HydrophobicContact CE1-CG 4.12Å; F382-F535 AromaticContact CE1-CZ 3.68Å; F382-F535 HydrophobicContact CE1-CZ 3.68Å; F382-F535 HydrophobicContact CZ-CB 4.39Å; F382-F535 HydrophobicContact CZ-CD1 4.44Å; F382-F535 AromaticContact CZ-CD2 3.41Å; F382-F535 HydrophobicContact CZ-CD2 3.41Å; F382-F535 VanDerWaalsContact CZ-CD2 3.41Å; F382-F535 AromaticContact CZ-CE2 3.72Å; F382-F535 HydrophobicContact CZ-CE2 3.72Å; F382-F535 AromaticContact CZ-CG 3.83Å; F382-F535 HydrophobicContact CZ-CG 3.83Å; F382-F535 HydrophobicContact CZ-CZ 4.36Å; F382-E603 HydrophobicContact CB-CG 4.28Å; F382-E603 HydrophobicContact CD2-CG 3.9Å; F382-E603 WeakPolarHBondContact CD2-OE1 3.48Å; F382-E603 VanDerWaalsContact CE2-OE1 3.32Å; F382-E603 WeakPolarHBondContact CE2-OE1 3.43Å; F382-W697 HydrophobicContact CE2-CB 4.3Å; F382-W697 HydrophobicContact CE2-CD2 4.37Å; F382-W697 HydrophobicContact CE2-CE3 4.25Å; F382-W697 HydrophobicContact CE2-CG 4.36Å; F382-W697 HydrophobicContact CZ-CD2 4.36Å; F382-W697 HydrophobicContact CZ-CE3 4.07Å; F382-W697 HydrophobicContact CZ-CZ3 4.49Å
383L98.3Very high97.5Very high34 Ų3437.6 Ų37.618%0.17820%0.198CC..Hα-helixtrans-60.3-40174.3-66.6175000112.5I379 S381 I386 D387 K401 A404 L405I379-L383 HydrophobicContact CG2-CD1 4.3Å; I379-L383 HydrophobicContact CG2-CG 4.48Å; I379-L383 VanDerWaalsContact O-CG 3.29Å; I379-L383 WeakPolarHBondContact O-CG 3.24Å; I379-L383 PolarHBondContact O-N 3.2Å; S381-L383 VanDerWaalsContact C-N 3.34Å; S381-L383 PolarHBondContact O-N 2.89Å; L383-I386 PolarHBondContact O-N 3.4Å; L383-D387 PolarHBondContact O-N 3Å; L383-K401 HydrophobicContact CD2-CB 3.77Å; L383-K401 HydrophobicContact CD2-CD 4.49Å; L383-K401 HydrophobicContact CD2-CG 3.72Å; L383-A404 HydrophobicContact CD2-CB 4.12Å; L383-L405 HydrophobicContact CD1-CD2 3.82Å; L383-L405 HydrophobicContact CD1-CG 4.22Å; L383-L405 HydrophobicContact CD2-CG 4.28Å
384T97.6Very high97.6Very high49 Ų4944.1 Ų44.130%0.30123%0.226SC..Hα-helixtrans-68.1-41.9174.2-60.70000111.7S380 S381 F382 I386 D387 E388 R610S380-T384 PolarHBondContact O-N 3.44Å; S380-T384 PolarHBondContact O-OG1 2.77Å; S381-T384 WeakPolarHBondContact O-CB 3.13Å; S381-T384 PolarHBondContact O-N 3.5Å; F382-T384 VanDerWaalsContact C-N 3.32Å; F382-T384 PolarHBondContact O-N 3.4Å; T384-I386 VanDerWaalsContact C-N 3.3Å; T384-I386 PolarHBondContact O-N 3.2Å; T384-D387 WeakPolarHBondContact O-CB 3.28Å; T384-D387 PolarHBondContact O-N 2.93Å; T384-E388 WeakPolarHBondContact O-CG 3.26Å; T384-E388 PolarHBondContact O-N 3.49Å; T384-E388 VanDerWaalsContact O-N 3.11Å; T384-R610 PolarHBondContact OG1-NH2 2.78Å
385I96.9Very high97.5Very high9 Ų949.4 Ų49.45%0.04626%0.258CS..Hα-helixtrans-57.3-45.6175.2-73168000110.4S381 F382 D387 E388 L389 K602 E603 W697S381-I385 WeakPolarHBondContact O-CG1 3.42Å; S381-I385 PolarHBondContact O-N 3.12Å; F382-I385 WeakPolarHBondContact O-CB 3.43Å; F382-I385 PolarHBondContact O-N 3.39Å; I385-D387 VanDerWaalsContact C-N 3.29Å; I385-D387 PolarHBondContact O-N 2.83Å; I385-E388 PolarHBondContact O-N 2.73Å; I385-E388 VanDerWaalsContact O-N 3.13Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 2.96Å; I385-K602 HydrophobicContact CD1-CD 4.35Å; I385-K602 HydrophobicContact CD1-CG 4.15Å; I385-E603 HydrophobicContact CD1-CG 3.74Å; I385-W697 WeakPolarHBondContact CG2-OXT 3.18Å
386I98Very high97.6Very high0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-56.9-42.1175.1-69.7163.9000111.5F382 L383 T384 E388 L389 K397 A400 K401F382-I386 HydrophobicContact CD1-CD1 3.64Å; F382-I386 HydrophobicContact CD1-CG1 4.32Å; F382-I386 HydrophobicContact CE1-CD1 3.4Å; F382-I386 HydrophobicContact CE1-CG1 4.01Å; F382-I386 HydrophobicContact CG-CD1 4.46Å; F382-I386 HydrophobicContact CZ-CD1 4.07Å; F382-I386 HydrophobicContact CZ-CG1 4.2Å; F382-I386 WeakPolarHBondContact O-CG1 3.46Å; F382-I386 PolarHBondContact O-N 3.33Å; L383-I386 PolarHBondContact O-N 3.4Å; T384-I386 VanDerWaalsContact C-N 3.3Å; T384-I386 PolarHBondContact O-N 3.2Å; I386-E388 VanDerWaalsContact C-N 3.29Å; I386-E388 PolarHBondContact O-N 2.66Å; I386-L389 PolarHBondContact O-N 3.2Å; I386-K397 HydrophobicContact CG2-CB 3.84Å; I386-K397 HydrophobicContact CG2-CG 3.89Å; I386-K397 WeakPolarHBondContact O-CD 3.45Å; I386-K397 WeakPolarHBondContact O-CE 3.47Å; I386-K397 PolarHBondContact O-NZ 3.49Å; I386-A400 HydrophobicContact CD1-CB 4.02Å; I386-A400 HydrophobicContact CG2-CB 4.45Å; I386-K401 HydrophobicContact CB-CG 4.41Å; I386-K401 HydrophobicContact CD1-CG 4.13Å; I386-K401 HydrophobicContact CG2-CG 3.95Å
387D97.8Very high97.6Very high85 Ų8546.9 Ų46.946%0.45524%0.243SC..Hα-helixtrans-62.7-36.1178.6-85.5-37000113L383 T384 I385 K397 K401L383-D387 PolarHBondContact O-N 3Å; T384-D387 WeakPolarHBondContact O-CB 3.28Å; T384-D387 PolarHBondContact O-N 2.93Å; I385-D387 VanDerWaalsContact C-N 3.29Å; I385-D387 PolarHBondContact O-N 2.83Å; D387-K397 PolarHBondContact O-NZ 3.46Å; D387-K401 VanDerWaalsContact CG-CE 3.45Å; D387-K401 WeakPolarHBondContact OD1-CE 3.44Å; D387-K401 IonicContact OD1-NZ 3.9Å; D387-K401 PolarHBondContact OD1-NZ 2.97Å; D387-K401 WeakPolarHBondContact OD2-CE 3.29Å; D387-K401 IonicContact OD2-NZ 3.16Å; D387-K401 PolarHBondContact OD2-NZ 2.62Å
388E96.4Very high97.6Very high144 Ų14451.2 Ų51.267%0.67326%0.263SS*.Hα-helixtrans-80-14.8-177.1-68.2174-179.400113.8T384 I385 I386 D390T384-E388 WeakPolarHBondContact O-CG 3.26Å; T384-E388 PolarHBondContact O-N 3.49Å; T384-E388 VanDerWaalsContact O-N 3.11Å; I385-E388 PolarHBondContact O-N 2.73Å; I385-E388 VanDerWaalsContact O-N 3.13Å; I386-E388 VanDerWaalsContact C-N 3.29Å; I386-E388 PolarHBondContact O-N 2.66Å; E388-D390 PolarHBondContact O-N 2.64Å
389L96.3Very high97.6Very high13 Ų1352.5 Ų52.57%0.06827%0.274CS..  trans-60.7123.8-179.5-59.9-179.2000112.4I385 I386 W391 M392 K397 W697I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 2.96Å; I386-L389 PolarHBondContact O-N 3.2Å; L389-W391 HydrophobicContact CD1-CZ2 4Å; L389-M392 HydrophobicContact CB-CB 4.43Å; L389-M392 HydrophobicContact CD1-CE 4.12Å; L389-K397 WeakPolarHBondContact O-CE 3.22Å; L389-K397 PolarHBondContact O-NZ 3.49Å; L389-W697 HydrophobicContact CD1-CE3 3.86Å; L389-W697 HydrophobicContact CD1-CZ3 3.99Å; L389-W697 VanDerWaalsContact CD2-OXT 3.29Å; L389-W697 WeakPolarHBondContact CD2-OXT 3.37Å
390D95.8Very high97.6Very high146 Ų14651.2 Ų51.278%0.78127%0.267SS*.SBendtrans-81.7-23178.660.9-9000114E388E388-D390 PolarHBondContact O-N 2.64Å
391W96.8Very high97.6Very high23 Ų2350.6 Ų50.69%0.08726%0.258CS..SBendtrans-92.1-13-169.465.1-90.9000114.8L389 W552 Q559 F560 K563 V696 W697L389-W391 HydrophobicContact CD1-CZ2 4Å; W391-W552 HydrophobicContact CH2-CH2 4.04Å; W391-W552 AromaticContact CH2-CZ3 3.75Å; W391-W552 HydrophobicContact CH2-CZ3 3.75Å; W391-W552 AromaticContact CZ3-CZ3 3.79Å; W391-W552 HydrophobicContact CZ3-CZ3 3.79Å; W391-Q559 HydrophobicContact CB-CB 4.27Å; W391-Q559 HydrophobicContact CD2-CB 4.44Å; W391-Q559 HydrophobicContact CE3-CB 3.63Å; W391-Q559 HydrophobicContact CZ3-CB 4.36Å; W391-F560 HydrophobicContact CH2-CB 3.94Å; W391-F560 AromaticContact CH2-CD2 3.8Å; W391-F560 HydrophobicContact CH2-CD2 3.8Å; W391-F560 HydrophobicContact CH2-CG 4.34Å; W391-F560 HydrophobicContact CZ3-CB 3.76Å; W391-F560 HydrophobicContact CZ3-CD2 4.49Å; W391-K563 HydrophobicContact CB-CD 4.37Å; W391-K563 HydrophobicContact CD2-CD 3.66Å; W391-K563 HydrophobicContact CE3-CD 4.37Å; W391-K563 HydrophobicContact CG-CD 3.66Å; W391-K563 HydrophobicContact CZ2-CD 4.28Å; W391-V696 WeakPolarHBondContact CZ2-O 3.16Å; W391-V696 PolarHBondContact NE1-O 2.96Å; W391-W697 HydrophobicContact CH2-CH2 4.39Å; W391-W697 HydrophobicContact CZ2-CZ3 4.39Å
392M97.6Very high97.6Very high10 Ų1054.2 Ų54.25%0.04928%0.275CS..SBendtrans-107.5132.1-176.7-171.9-177.7-66.500110.6L389 T396 K397 A400 W552 W697L389-M392 HydrophobicContact CB-CB 4.43Å; L389-M392 HydrophobicContact CD1-CE 4.12Å; M392-T396 HydrophobicContact CE-CG2 4.37Å; M392-T396 HydrophobicContact CG-CG2 3.82Å; M392-T396 HydrophobicContact SD-CG2 3.77Å; M392-K397 HydrophobicContact CB-CG 4.06Å; M392-K397 HydrophobicContact CG-CG 3.83Å; M392-K397 VanDerWaalsContact O-CE 3.26Å; M392-K397 WeakPolarHBondContact O-CE 3.18Å; M392-K397 HydrophobicContact SD-CB 4.33Å; M392-K397 HydrophobicContact SD-CG 3.75Å; M392-A400 HydrophobicContact SD-CB 4.46Å; M392-W552 HydrophobicContact CE-CH2 3.84Å; M392-W552 HydrophobicContact CE-CZ3 3.67Å; M392-W697 HydrophobicContact CE-CH2 3.6Å; M392-W697 HydrophobicContact CE-CZ3 3.5Å; M392-W697 VanDerWaalsContact CE-CZ3 3.5Å
393D97.8Very high97.6Very high51 Ų5154.3 Ų54.327%0.27328%0.275SS..  trans-71.2162.5177.363.265.5000113.1V395 T396 K397 S553 S556D393-V395 VanDerWaalsContact C-N 3.27Å; D393-V395 PolarHBondContact O-N 3.28Å; D393-V395 PolarHBondContact OD1-N 2.94Å; D393-V395 VanDerWaalsContact OD1-N 3.13Å; D393-T396 PolarHBondContact O-N 2.89Å; D393-T396 WeakPolarHBondContact OD1-CB 3.4Å; D393-T396 PolarHBondContact OD1-N 2.9Å; D393-T396 PolarHBondContact OD1-OG1 2.05Å; D393-T396 PolarHBondContact OD2-OG1 3.1Å; D393-K397 WeakPolarHBondContact O-CB 3.49Å; D393-K397 WeakPolarHBondContact O-CG 3.44Å; D393-K397 PolarHBondContact O-N 3.38Å; D393-S553 WeakPolarHBondContact OD2-CB 3.4Å; D393-S553 PolarHBondContact OD2-OG 3.31Å; D393-S556 VanDerWaalsContact CG-OG 3.3Å; D393-S556 PolarHBondContact N-OG 3.31Å; D393-S556 VanDerWaalsContact N-OG 3.07Å; D393-S556 PolarHBondContact OD2-OG 3.11Å
394K97.6Very high97.6Very high186 Ų18652.8 Ų52.881%0.80927%0.267SS*.Hα-helixtrans-58.5-35-176.6-66.8-175.3178.6-177.60113.8Q398K394-Q398 WeakPolarHBondContact O-CB 3.28Å; K394-Q398 PolarHBondContact O-N 2.76Å
395V97.1Very high97.7Very high115 Ų11556.1 Ų56.170%0.69728%0.283SS*.Hα-helixtrans-71.1-46.7-177.5177.90000109.8D393 Q398 A399D393-V395 VanDerWaalsContact C-N 3.27Å; D393-V395 PolarHBondContact O-N 3.28Å; D393-V395 PolarHBondContact OD1-N 2.94Å; D393-V395 VanDerWaalsContact OD1-N 3.13Å; V395-Q398 PolarHBondContact O-N 2.72Å; V395-A399 PolarHBondContact O-N 3.15Å
396T98.3Very high97.7Very high0 Ų057.4 Ų57.40%030%0.295CS..Hα-helixtrans-67.4-38.2178.5-48.70000110.9M392 D393 Q398 A399 A400 W551 W552 S553 S556M392-T396 HydrophobicContact CE-CG2 4.37Å; M392-T396 HydrophobicContact CG-CG2 3.82Å; M392-T396 HydrophobicContact SD-CG2 3.77Å; D393-T396 PolarHBondContact O-N 2.89Å; D393-T396 WeakPolarHBondContact OD1-CB 3.4Å; D393-T396 PolarHBondContact OD1-N 2.9Å; D393-T396 PolarHBondContact OD1-OG1 2.05Å; D393-T396 PolarHBondContact OD2-OG1 3.1Å; T396-Q398 PolarHBondContact O-N 3.42Å; T396-A399 PolarHBondContact O-N 3.22Å; T396-A400 WeakPolarHBondContact O-CB 3.43Å; T396-A400 PolarHBondContact O-N 3.05Å; T396-W551 HydrophobicContact CG2-CE3 4.33Å; T396-W551 HydrophobicContact CG2-CZ3 4.12Å; T396-W552 HydrophobicContact CG2-CB 4.44Å; T396-W552 HydrophobicContact CG2-CD2 3.96Å; T396-W552 HydrophobicContact CG2-CE3 3.62Å; T396-W552 HydrophobicContact CG2-CG 4.35Å; T396-W552 HydrophobicContact CG2-CZ3 4.15Å; T396-S553 PolarHBondContact OG1-N 3.06Å; T396-S556 PolarHBondContact OG1-OG 2.87Å
397K98.5Very high97.6Very high31 Ų3158.3 Ų58.314%0.13530%0.299CS..Hα-helixtrans-57.8-46.2171.6-76.5-176.3176.4-171.50112I386 D387 L389 M392 D393 A399 A400 K401I386-K397 HydrophobicContact CG2-CB 3.84Å; I386-K397 HydrophobicContact CG2-CG 3.89Å; I386-K397 WeakPolarHBondContact O-CD 3.45Å; I386-K397 WeakPolarHBondContact O-CE 3.47Å; I386-K397 PolarHBondContact O-NZ 3.49Å; D387-K397 PolarHBondContact O-NZ 3.46Å; L389-K397 WeakPolarHBondContact O-CE 3.22Å; L389-K397 PolarHBondContact O-NZ 3.49Å; M392-K397 HydrophobicContact CB-CG 4.06Å; M392-K397 HydrophobicContact CG-CG 3.83Å; M392-K397 VanDerWaalsContact O-CE 3.26Å; M392-K397 WeakPolarHBondContact O-CE 3.18Å; M392-K397 HydrophobicContact SD-CB 4.33Å; M392-K397 HydrophobicContact SD-CG 3.75Å; D393-K397 WeakPolarHBondContact O-CB 3.49Å; D393-K397 WeakPolarHBondContact O-CG 3.44Å; D393-K397 PolarHBondContact O-N 3.38Å; K397-A399 PolarHBondContact O-N 3.29Å; K397-A400 PolarHBondContact O-N 2.97Å; K397-K401 WeakPolarHBondContact O-CG 3.22Å; K397-K401 PolarHBondContact O-N 3.24Å
398Q98.2Very high97.4Very high99 Ų9959.2 Ų59.246%0.46330%0.297SS..Hα-helixtrans-62.3-43.9178.8-178.656.53300111.6K394 V395 T396 A400 K401 E402K394-Q398 WeakPolarHBondContact O-CB 3.28Å; K394-Q398 PolarHBondContact O-N 2.76Å; V395-Q398 PolarHBondContact O-N 2.72Å; T396-Q398 PolarHBondContact O-N 3.42Å; Q398-A400 PolarHBondContact O-N 3.49Å; Q398-K401 PolarHBondContact O-N 3.46Å; Q398-E402 PolarHBondContact NE2-OE1 3.4Å; Q398-E402 WeakPolarHBondContact O-CG 3.37Å; Q398-E402 PolarHBondContact O-N 2.51Å
399A98.2Very high97.3Very high27 Ų2753.9 Ų53.922%0.22328%0.276CS..Hα-helixtrans-60.8-42.1174.200000112.6V395 T396 K397 K401 E402 K403 W551V395-A399 PolarHBondContact O-N 3.15Å; T396-A399 PolarHBondContact O-N 3.22Å; K397-A399 PolarHBondContact O-N 3.29Å; A399-K401 PolarHBondContact O-N 2.95Å; A399-E402 PolarHBondContact O-N 3.08Å; A399-K403 PolarHBondContact O-N 3.28Å; A399-W551 HydrophobicContact CB-CB 4.5Å; A399-W551 HydrophobicContact CB-CE3 3.78Å; A399-W551 HydrophobicContact CB-CZ3 4.45Å
400A98.4Very high97.2Very high0 Ų053.9 Ų53.90%028%0.277CS..Hα-helixtrans-61.9-42.7176.300000112I386 M392 T396 K397 Q398 K403 A404 F535 W551I386-A400 HydrophobicContact CD1-CB 4.02Å; I386-A400 HydrophobicContact CG2-CB 4.45Å; M392-A400 HydrophobicContact SD-CB 4.46Å; T396-A400 WeakPolarHBondContact O-CB 3.43Å; T396-A400 PolarHBondContact O-N 3.05Å; K397-A400 PolarHBondContact O-N 2.97Å; Q398-A400 PolarHBondContact O-N 3.49Å; A400-K403 PolarHBondContact O-N 2.93Å; A400-A404 PolarHBondContact O-N 3.06Å; A400-F535 HydrophobicContact CB-CD1 4.49Å; A400-F535 HydrophobicContact CB-CE1 4.03Å; A400-F535 WeakPolarHBondContact O-CE1 3.44Å; A400-F535 WeakPolarHBondContact O-CZ 2.98Å; A400-W551 HydrophobicContact CB-CH2 4.42Å; A400-W551 HydrophobicContact CB-CZ3 4.12Å
401K98.5Very high97.2Very high40 Ų4047.3 Ų47.317%0.17424%0.242CC..Hα-helixtrans-62.9-45.4175.3-70.3-179.4174.7-168.90112.8L383 I386 D387 K397 Q398 A399 K403 A404 L405L383-K401 HydrophobicContact CD2-CB 3.77Å; L383-K401 HydrophobicContact CD2-CD 4.49Å; L383-K401 HydrophobicContact CD2-CG 3.72Å; I386-K401 HydrophobicContact CB-CG 4.41Å; I386-K401 HydrophobicContact CD1-CG 4.13Å; I386-K401 HydrophobicContact CG2-CG 3.95Å; D387-K401 VanDerWaalsContact CG-CE 3.45Å; D387-K401 WeakPolarHBondContact OD1-CE 3.44Å; D387-K401 IonicContact OD1-NZ 3.9Å; D387-K401 PolarHBondContact OD1-NZ 2.97Å; D387-K401 WeakPolarHBondContact OD2-CE 3.29Å; D387-K401 IonicContact OD2-NZ 3.16Å; D387-K401 PolarHBondContact OD2-NZ 2.62Å; K397-K401 WeakPolarHBondContact O-CG 3.22Å; K397-K401 PolarHBondContact O-N 3.24Å; Q398-K401 PolarHBondContact O-N 3.46Å; A399-K401 PolarHBondContact O-N 2.95Å; K401-K403 PolarHBondContact O-N 3.13Å; K401-A404 PolarHBondContact O-N 2.89Å; K401-L405 WeakPolarHBondContact O-CB 3.3Å; K401-L405 WeakPolarHBondContact O-CG 3.33Å; K401-L405 PolarHBondContact O-N 2.84Å
402E98.4Very high97.2Very high76 Ų7646.2 Ų46.236%0.35524%0.237SC..Hα-helixtrans-60.5-37.7176.8-74.5178.8-15400112Q398 A399 A406 K544Q398-E402 PolarHBondContact NE2-OE1 3.4Å; Q398-E402 WeakPolarHBondContact O-CG 3.37Å; Q398-E402 PolarHBondContact O-N 2.51Å; A399-E402 PolarHBondContact O-N 3.08Å; E402-A406 VanDerWaalsContact O-CB 3.31Å; E402-A406 WeakPolarHBondContact O-CB 3.47Å; E402-A406 PolarHBondContact O-N 3.31Å; E402-K544 HydrophobicContact CB-CD 4.2Å; E402-K544 IonicContact OE2-NZ 3.88Å; E402-K544 PolarHBondContact OE2-NZ 3.15Å
403K98.1Very high97.1Very high3 Ų347.8 Ų47.81%0.01324%0.243CC..Hα-helixtrans-66.2-46.3174.4-178.2173.5-171.4-176.60112.1A399 A400 K401 L405 A406 I407 N496 A534 F535 G539 Y542 K544 W551A399-K403 PolarHBondContact O-N 3.28Å; A400-K403 PolarHBondContact O-N 2.93Å; K401-K403 PolarHBondContact O-N 3.13Å; K403-L405 VanDerWaalsContact C-N 3.32Å; K403-L405 PolarHBondContact O-N 3.16Å; K403-A406 PolarHBondContact O-N 2.67Å; K403-I407 PolarHBondContact O-N 3.18Å; K403-N496 WeakPolarHBondContact CE-OD1 3.3Å; K403-N496 PolarHBondContact O-ND2 3.27Å; K403-A534 WeakPolarHBondContact CE-O 3.26Å; K403-A534 PolarHBondContact NZ-O 3.49Å; K403-F535 HydrophobicContact CB-CE1 4Å; K403-F535 HydrophobicContact CB-CZ 4.02Å; K403-F535 HydrophobicContact CD-CD1 4.45Å; K403-F535 HydrophobicContact CD-CE1 3.8Å; K403-F535 HydrophobicContact CD-CZ 4.11Å; K403-F535 HydrophobicContact CG-CE1 4.04Å; K403-F535 HydrophobicContact CG-CZ 3.93Å; K403-G539 PolarHBondContact NZ-O 3.2Å; K403-Y542 WeakPolarHBondContact CE-O 3.36Å; K403-Y542 PolarHBondContact NZ-O 3.08Å; K403-K544 HydrophobicContact CB-CB 4.19Å; K403-K544 HydrophobicContact CG-CB 4.46Å; K403-W551 HydrophobicContact CD-CZ2 4.23Å
404A98.2Very high96.9Very high1 Ų146.4 Ų46.41%0.00824%0.237CC..Hα-helixtrans-60.5-43.1179.700000111.5F382 L383 A400 K401 A406 I407 F535F382-A404 HydrophobicContact CD1-CB 3.92Å; F382-A404 HydrophobicContact CE1-CB 4.17Å; L383-A404 HydrophobicContact CD2-CB 4.12Å; A400-A404 PolarHBondContact O-N 3.06Å; K401-A404 PolarHBondContact O-N 2.89Å; A404-A406 PolarHBondContact O-N 3.06Å; A404-I407 WeakPolarHBondContact O-CB 3.49Å; A404-I407 WeakPolarHBondContact O-CG1 3.19Å; A404-I407 PolarHBondContact O-N 3.4Å; A404-F535 HydrophobicContact CB-CE2 4.2Å; A404-F535 HydrophobicContact CB-CZ 3.85Å
405L98Very high96.7Very high120 Ų12043 Ų4363%0.62823%0.227SC*.Hα-helixtrans-68.2-18.1176.1-72.1170.2000113.8I379 L383 K401 K403I379-L405 HydrophobicContact CG2-CD2 4.45Å; L383-L405 HydrophobicContact CD1-CD2 3.82Å; L383-L405 HydrophobicContact CD1-CG 4.22Å; L383-L405 HydrophobicContact CD2-CG 4.28Å; K401-L405 WeakPolarHBondContact O-CB 3.3Å; K401-L405 WeakPolarHBondContact O-CG 3.33Å; K401-L405 PolarHBondContact O-N 2.84Å; K403-L405 VanDerWaalsContact C-N 3.32Å; K403-L405 PolarHBondContact O-N 3.16Å
406A97.1Very high96.5Very high36 Ų3640.4 Ų40.430%0.29821%0.207SC..THydrogen-bonded Turntrans-97.16.6178.900000113.3E402 K403 A404 Y408 N496 K544E402-A406 VanDerWaalsContact O-CB 3.31Å; E402-A406 WeakPolarHBondContact O-CB 3.47Å; E402-A406 PolarHBondContact O-N 3.31Å; K403-A406 PolarHBondContact O-N 2.67Å; A404-A406 PolarHBondContact O-N 3.06Å; A406-Y408 PolarHBondContact O-N 3.11Å; A406-N496 PolarHBondContact O-ND2 3.36Å; A406-K544 HydrophobicContact CB-CB 3.85Å
407I96.4Very high96.4Very high18 Ų1840.4 Ų40.49%0.09221%0.207CC..PPolyproline II helixtrans-68.9126.3176.2-67.6172.7000109K403 A404 N496 I498 I531 A534 F535K403-I407 PolarHBondContact O-N 3.18Å; A404-I407 WeakPolarHBondContact O-CB 3.49Å; A404-I407 WeakPolarHBondContact O-CG1 3.19Å; A404-I407 PolarHBondContact O-N 3.4Å; I407-N496 WeakPolarHBondContact CA-O 3.26Å; I407-N496 PolarHBondContact N-ND2 2.9Å; I407-I498 HydrophobicContact CG2-CB 4.41Å; I407-I498 HydrophobicContact CG2-CD1 3.94Å; I407-I498 HydrophobicContact CG2-CG1 3.87Å; I407-I498 HydrophobicContact CG2-CG2 3.91Å; I407-I531 HydrophobicContact CD1-CG2 4.17Å; I407-A534 HydrophobicContact CD1-CB 4.09Å; I407-F535 HydrophobicContact CD1-CE2 4.43Å
408Y94.2Very high96.2Very high104 Ų10442.1 Ų42.141%0.40822%0.216SC..EExtended strand (participates in β ladder)trans-89.1125.9173.7-173.8-100.9000110.9A406 S410 E478 N496 S497 I498A406-Y408 PolarHBondContact O-N 3.11Å; Y408-S410 WeakPolarHBondContact CE1-OG 3.11Å; Y408-E478 HydrophobicContact CE1-CB 3.95Å; Y408-E478 HydrophobicContact CE1-CG 4.34Å; Y408-E478 HydrophobicContact CE2-CG 4.21Å; Y408-N496 PolarHBondContact N-O 3.3Å; Y408-S497 CarbonylContact O-C 3.59Å; Y408-S497 WeakPolarHBondContact O-CA 3.4Å; Y408-S497 WeakPolarHBondContact O-CB 3.15Å; Y408-S497 PolarHBondContact O-OG 2.97Å; Y408-I498 PolarHBondContact O-N 3.16Å
409S94.6Very high96.1Very high33 Ų3340.7 Ų40.723%0.23121%0.212CC..EExtended strand (participates in β ladder)trans-98.8132176.8540000112.1I498S409-I498 WeakPolarHBondContact CA-O 3.4Å
410S94.3Very high96Very high12 Ų1241.1 Ų41.18%0.08421%0.21CC..EExtended strand (participates in β ladder)trans-118120.1168.3-63.10000110.1Y408 I498 V499 F500Y408-S410 WeakPolarHBondContact CE1-OG 3.11Å; S410-I498 PolarHBondContact N-O 2.89Å; S410-V499 WeakPolarHBondContact O-CA 3.45Å; S410-F500 PolarHBondContact O-N 3.23Å
411I95.7Very high95.9Very high9 Ų948.8 Ų48.85%0.04625%0.246CC..EExtended strand (participates in β ladder)trans-120.9126.1-171.4-52.9167.5000110K368 I371 Q372 I375 Y413 L505K368-I411 HydrophobicContact CB-CG2 4.5Å; K368-I411 HydrophobicContact CG-CB 4.16Å; K368-I411 HydrophobicContact CG-CG2 3.99Å; I371-I411 HydrophobicContact CB-CG2 3.99Å; I371-I411 HydrophobicContact CG2-CD1 4.08Å; I371-I411 HydrophobicContact CG2-CG1 4.19Å; I371-I411 HydrophobicContact CG2-CG2 3.78Å; Q372-I411 HydrophobicContact CB-CD1 3.97Å; Q372-I411 VanDerWaalsContact OE1-CD1 3.3Å; I375-I411 HydrophobicContact CD1-CD1 3.76Å; I375-I411 HydrophobicContact CD1-CG1 3.99Å; I411-Y413 VanDerWaalsContact C-N 3.34Å; I411-Y413 PolarHBondContact O-N 2.76Å; I411-L505 HydrophobicContact CG2-CD1 3.97Å
412G96Very high95.9Very high0 Ų051.4 Ų51.40%026%0.261CS..EExtended strand (participates in β ladder)trans81-72.4175.800000112.6F480 P484 F500 A502G412-F480 WeakPolarHBondContact O-CZ 3.35Å; G412-P484 WeakPolarHBondContact O-CB 3.39Å; G412-F500 PolarHBondContact N-O 3.28Å; G412-A502 PolarHBondContact O-N 2.92Å
413Y95Very high95.8Very high42 Ų4247.8 Ų47.817%0.16525%0.245CC..SBendtrans-159.9158.3-171.756.7-92000112.2V359 F363 I411 I417 M418V359-Y413 HydrophobicContact CB-CD1 4.28Å; V359-Y413 HydrophobicContact CG1-CD1 3.39Å; V359-Y413 HydrophobicContact CG1-CE1 3.48Å; V359-Y413 VanDerWaalsContact CG1-CE1 3.48Å; V359-Y413 HydrophobicContact CG1-CG 4.01Å; V359-Y413 HydrophobicContact CG2-CD1 3.83Å; V359-Y413 HydrophobicContact CG2-CG 4.19Å; F363-Y413 AromaticContact CD1-CD1 3.97Å; F363-Y413 HydrophobicContact CD1-CD1 3.97Å; F363-Y413 AromaticContact CD1-CE1 3.65Å; F363-Y413 HydrophobicContact CD1-CE1 3.65Å; F363-Y413 HydrophobicContact CE1-CD1 4.23Å; F363-Y413 AromaticContact CE1-CE1 3.93Å; F363-Y413 HydrophobicContact CE1-CE1 3.93Å; I411-Y413 VanDerWaalsContact C-N 3.34Å; I411-Y413 PolarHBondContact O-N 2.76Å; Y413-I417 HydrophobicContact CD2-CD1 4.35Å; Y413-I417 HydrophobicContact CD2-CG1 4.22Å; Y413-I417 HydrophobicContact CG-CD1 4.28Å; Y413-M418 HydrophobicContact CD2-CG 3.85Å; Y413-M418 HydrophobicContact CD2-SD 4.07Å; Y413-M418 HydrophobicContact CE2-CG 3.28Å; Y413-M418 HydrophobicContact CE2-SD 3.72Å
414P93.4Very high95.7Very high22 Ų2248.8 Ų48.814%0.14325%0.25CS..  trans-78134.6170.727.4-26.2000111.4Y352 F416 I417 F480Y352-P414 HydrophobicContact CD1-CG 3.89Å; Y352-P414 HydrophobicContact CE1-CG 3.74Å; P414-F416 VanDerWaalsContact C-N 3.26Å; P414-F416 HydrophobicContact CB-CD1 3.86Å; P414-F416 HydrophobicContact CB-CE1 3.77Å; P414-F416 HydrophobicContact CG-CD1 4.19Å; P414-F416 HydrophobicContact CG-CE1 3.68Å; P414-F416 PolarHBondContact O-N 2.93Å; P414-F416 VanDerWaalsContact O-N 3.09Å; P414-I417 HydrophobicContact CG-CG2 3.88Å; P414-I417 WeakPolarHBondContact O-CG1 3.46Å; P414-I417 PolarHBondContact O-N 3.1Å; P414-F480 HydrophobicContact CB-CB 4.12Å; P414-F480 HydrophobicContact CB-CD2 4.35Å; P414-F480 HydrophobicContact CB-CG 4.45Å; P414-F480 HydrophobicContact CG-CB 3.92Å; P414-F480 HydrophobicContact CG-CD2 4.28Å; P414-F480 HydrophobicContact CG-CG 4.07Å
415D93.3Very high95.6Very high115 Ų11551.7 Ų51.762%0.61527%0.274SS*.G310 helixtrans-58-32.5-167.3-63.4-28.4000114.4K368 I417 M418K368-D415 IonicContact NZ-OD1 2.84Å; D415-I417 PolarHBondContact O-N 3.26Å; D415-I417 VanDerWaalsContact O-N 3.14Å; D415-M418 PolarHBondContact O-N 2.95Å; D415-M418 VanDerWaalsContact O-N 3.11Å
416F94.4Very high95.5Very high61 Ų6148.5 Ų48.527%0.26825%0.254SS..G310 helixtrans-61.6-24-176.881.6-88.2000113.9Y352 P414 M418 D419 L422 L423 Y426Y352-F416 HydrophobicContact CD1-CZ 4.34Å; Y352-F416 AromaticContact CD2-CZ 3.93Å; Y352-F416 HydrophobicContact CD2-CZ 3.93Å; Y352-F416 HydrophobicContact CE2-CZ 4.35Å; Y352-F416 AromaticContact CG-CZ 3.95Å; Y352-F416 HydrophobicContact CG-CZ 3.95Å; P414-F416 VanDerWaalsContact C-N 3.26Å; P414-F416 HydrophobicContact CB-CD1 3.86Å; P414-F416 HydrophobicContact CB-CE1 3.77Å; P414-F416 HydrophobicContact CG-CD1 4.19Å; P414-F416 HydrophobicContact CG-CE1 3.68Å; P414-F416 PolarHBondContact O-N 2.93Å; P414-F416 VanDerWaalsContact O-N 3.09Å; F416-M418 PolarHBondContact O-N 3.18Å; F416-D419 PolarHBondContact O-N 2.65Å; F416-L422 HydrophobicContact CB-CB 4.3Å; F416-L422 HydrophobicContact CB-CD1 4.15Å; F416-L423 HydrophobicContact CE2-CD1 4.24Å; F416-Y426 HydrophobicContact CE2-CD2 4.15Å; F416-Y426 HydrophobicContact CE2-CG 4.18Å; F416-Y426 HydrophobicContact CZ-CD2 4.25Å
417I95.3Very high95.4Very high0 Ų046.8 Ų46.80%024%0.24CC..G310 helixtrans-71.5-16.6-178.779.2176.3000111.8Y352 R356 Y413 P414 D415 L423 P484Y352-I417 HydrophobicContact CD1-CG2 4.09Å; Y352-I417 HydrophobicContact CG-CG2 4.18Å; R356-I417 HydrophobicContact CB-CB 4.47Å; R356-I417 HydrophobicContact CB-CD1 4.27Å; R356-I417 HydrophobicContact CB-CG1 4.43Å; R356-I417 VanDerWaalsContact CD-O 3.3Å; R356-I417 WeakPolarHBondContact CD-O 3.07Å; Y413-I417 HydrophobicContact CD2-CD1 4.35Å; Y413-I417 HydrophobicContact CD2-CG1 4.22Å; Y413-I417 HydrophobicContact CG-CD1 4.28Å; P414-I417 HydrophobicContact CG-CG2 3.88Å; P414-I417 WeakPolarHBondContact O-CG1 3.46Å; P414-I417 PolarHBondContact O-N 3.1Å; D415-I417 PolarHBondContact O-N 3.26Å; D415-I417 VanDerWaalsContact O-N 3.14Å; I417-L423 HydrophobicContact CB-CD1 4.2Å; I417-L423 HydrophobicContact CG2-CD1 4.21Å; I417-P484 HydrophobicContact CD1-CG 3.8Å
418M94.6Very high95.4Very high66 Ų6649 Ų4933%0.32526%0.257SS..G310 helixtrans-80-10.6179.1-58.3-57.3-7500112.9R356 V359 Y413 D415 F416R356-M418 VanDerWaalsContact NH1-CA 3.31Å; R356-M418 PolarHBondContact NH1-O 3.12Å; R356-M418 PolarHBondContact NH1-SD 2.93Å; R356-M418 PolarHBondContact NH2-O 2.88Å; V359-M418 HydrophobicContact CG1-CE 4.2Å; V359-M418 HydrophobicContact CG1-SD 3.85Å; Y413-M418 HydrophobicContact CD2-CG 3.85Å; Y413-M418 HydrophobicContact CD2-SD 4.07Å; Y413-M418 HydrophobicContact CE2-CG 3.28Å; Y413-M418 HydrophobicContact CE2-SD 3.72Å; D415-M418 PolarHBondContact O-N 2.95Å; D415-M418 VanDerWaalsContact O-N 3.11Å; F416-M418 PolarHBondContact O-N 3.18Å
419D96.5Very high95.4Very high70 Ų7047.1 Ų47.137%0.37425%0.254SS..SBendtrans-104.5117175.2-176.1-52.2000109.7F416 Q421 L422 L423F416-D419 PolarHBondContact O-N 2.65Å; D419-Q421 VanDerWaalsContact C-N 3.25Å; D419-Q421 PolarHBondContact O-N 3Å; D419-Q421 WeakPolarHBondContact OD1-CA 3.15Å; D419-Q421 WeakPolarHBondContact OD1-CB 3.43Å; D419-Q421 PolarHBondContact OD1-N 3.25Å; D419-L422 HydrophobicContact CB-CB 4.11Å; D419-L422 HydrophobicContact CB-CD1 3.98Å; D419-L422 HydrophobicContact CB-CG 4.05Å; D419-L422 PolarHBondContact O-N 3.41Å; D419-L422 PolarHBondContact OD1-N 2.84Å; D419-L422 VanDerWaalsContact OD1-N 3.1Å; D419-L423 VanDerWaalsContact O-CB 3.32Å; D419-L423 WeakPolarHBondContact O-CB 3.23Å; D419-L423 PolarHBondContact O-N 3.27Å
420D96.4Very high95.5Very high36 Ų3645.5 Ų45.519%0.19324%0.243CC..Hα-helixtrans-60.1-34-176.4-68.3-5.7000112.5N60 R356 D424N60-D420 VanDerWaalsContact CB-OD2 3.24Å; N60-D420 WeakPolarHBondContact CB-OD2 3.43Å; R356-D420 IonicContact NH2-OD1 3.85Å; R356-D420 PolarHBondContact NH2-OD1 2.66Å; D420-D424 VanDerWaalsContact O-CB 3.29Å; D420-D424 WeakPolarHBondContact O-CB 3.34Å; D420-D424 VanDerWaalsContact O-CG 3.23Å; D420-D424 PolarHBondContact O-N 2.92Å
421Q96.5Very high95.6Very high160 Ų16045.7 Ų45.775%0.74824%0.243SC*.Hα-helixtrans-73.8-43.7-179.3-61-176.4-5.600111.5D419 L423 A425D419-Q421 VanDerWaalsContact C-N 3.25Å; D419-Q421 PolarHBondContact O-N 3Å; D419-Q421 WeakPolarHBondContact OD1-CA 3.15Å; D419-Q421 WeakPolarHBondContact OD1-CB 3.43Å; D419-Q421 PolarHBondContact OD1-N 3.25Å; Q421-L423 VanDerWaalsContact C-N 3.33Å; Q421-A425 VanDerWaalsContact O-CB 3.23Å; Q421-A425 WeakPolarHBondContact O-CB 3.17Å; Q421-A425 PolarHBondContact O-N 3.04Å
422L97.1Very high95.5Very high95 Ų9547.5 Ų47.550%0.49726%0.255SS..Hα-helixtrans-66.3-39.3177.1-64.8-179.3000111.3F416 D419 A425 Y426F416-L422 HydrophobicContact CB-CB 4.3Å; F416-L422 HydrophobicContact CB-CD1 4.15Å; D419-L422 HydrophobicContact CB-CB 4.11Å; D419-L422 HydrophobicContact CB-CD1 3.98Å; D419-L422 HydrophobicContact CB-CG 4.05Å; D419-L422 PolarHBondContact O-N 3.41Å; D419-L422 PolarHBondContact OD1-N 2.84Å; D419-L422 VanDerWaalsContact OD1-N 3.1Å; L422-A425 PolarHBondContact O-N 2.9Å; L422-Y426 PolarHBondContact O-N 3.18Å; L422-Y426 VanDerWaalsContact O-N 3.08Å
423L96.5Very high95.3Very high0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-66.3-47.1176.9-174.961.9000111.4I63 L64 R356 F416 I417 D419 Q421 A425 Y426 Y427I63-L423 HydrophobicContact CG2-CD2 3.82Å; I63-L423 HydrophobicContact CG2-CG 3.64Å; L64-L423 HydrophobicContact CD2-CD2 4.25Å; R356-L423 HydrophobicContact CB-CD2 3.98Å; R356-L423 HydrophobicContact CG-CD2 3.95Å; F416-L423 HydrophobicContact CE2-CD1 4.24Å; I417-L423 HydrophobicContact CB-CD1 4.2Å; I417-L423 HydrophobicContact CG2-CD1 4.21Å; D419-L423 VanDerWaalsContact O-CB 3.32Å; D419-L423 WeakPolarHBondContact O-CB 3.23Å; D419-L423 PolarHBondContact O-N 3.27Å; Q421-L423 VanDerWaalsContact C-N 3.33Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 2.99Å; L423-Y426 PolarHBondContact O-N 3.41Å; L423-Y427 HydrophobicContact CD1-CD2 4.17Å; L423-Y427 HydrophobicContact CD1-CE2 3.78Å; L423-Y427 WeakPolarHBondContact O-CD2 3.46Å
424D96.9Very high94.8Very high25 Ų2554 Ų5413%0.13430%0.295CS..Hα-helixtrans-61.5-40.9175.4-77.6-6.2000111.6S61 K62 I63 D420 Y426 Y427 S428 I431S61-D424 PolarHBondContact OG-OD1 3Å; K62-D424 WeakPolarHBondContact CB-OD2 3.26Å; K62-D424 WeakPolarHBondContact CG-OD2 3.43Å; K62-D424 VanDerWaalsContact N-CG 3.34Å; K62-D424 PolarHBondContact N-OD1 3.27Å; K62-D424 PolarHBondContact N-OD2 3.37Å; I63-D424 WeakPolarHBondContact CG2-OD1 3.33Å; I63-D424 PolarHBondContact N-OD1 3.46Å; D420-D424 VanDerWaalsContact O-CB 3.29Å; D420-D424 WeakPolarHBondContact O-CB 3.34Å; D420-D424 VanDerWaalsContact O-CG 3.23Å; D420-D424 PolarHBondContact O-N 2.92Å; D424-Y426 VanDerWaalsContact C-N 3.33Å; D424-Y426 PolarHBondContact O-N 3.33Å; D424-Y427 CarbonylContact O-C 3.48Å; D424-Y427 PolarHBondContact O-N 2.68Å; D424-Y427 VanDerWaalsContact O-N 3.15Å; D424-S428 PolarHBondContact O-N 2.83Å; D424-I431 HydrophobicContact CB-CD1 4.27Å
425A96.4Very high94.4Very high61 Ų6155.9 Ų55.950%0.50430%0.304SS..Hα-helixtrans-61.8-39.5178.100000112.4Q421 L422 L423 Y427 S428Q421-A425 VanDerWaalsContact O-CB 3.23Å; Q421-A425 WeakPolarHBondContact O-CB 3.17Å; Q421-A425 PolarHBondContact O-N 3.04Å; L422-A425 PolarHBondContact O-N 2.9Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 2.99Å; A425-Y427 PolarHBondContact O-N 3.08Å; A425-S428 WeakPolarHBondContact O-CB 3.5Å; A425-S428 PolarHBondContact O-N 2.83Å; A425-S428 PolarHBondContact O-OG 2.98Å
426Y94.2Very high93.6Very high53 Ų5358 Ų5821%0.20832%0.316CS..Hα-helixtrans-59.2-31.2176.8-178.6-84.9000112.5E348 Y352 F416 L422 L423 D424 W462 R466E348-Y426 PolarHBondContact OE2-OH 3.04Å; Y352-Y426 AromaticContact CD2-CE1 3.88Å; Y352-Y426 HydrophobicContact CD2-CE1 3.88Å; Y352-Y426 HydrophobicContact CD2-CE2 4.49Å; Y352-Y426 AromaticContact CD2-CZ 3.84Å; Y352-Y426 HydrophobicContact CE2-CE1 4.33Å; Y352-Y426 HydrophobicContact CE2-CE2 4.43Å; Y352-Y426 AromaticContact CE2-CZ 3.84Å; F416-Y426 HydrophobicContact CE2-CD2 4.15Å; F416-Y426 HydrophobicContact CE2-CG 4.18Å; F416-Y426 HydrophobicContact CZ-CD2 4.25Å; L422-Y426 PolarHBondContact O-N 3.18Å; L422-Y426 VanDerWaalsContact O-N 3.08Å; L423-Y426 PolarHBondContact O-N 3.41Å; D424-Y426 VanDerWaalsContact C-N 3.33Å; D424-Y426 PolarHBondContact O-N 3.33Å; Y426-W462 HydrophobicContact CD1-CH2 4.44Å; Y426-W462 HydrophobicContact CD1-CZ2 4.48Å; Y426-W462 AromaticContact CE1-CH2 3.88Å; Y426-W462 HydrophobicContact CE1-CH2 3.88Å; Y426-W462 HydrophobicContact CE1-CZ2 4.25Å; Y426-R466 VanDerWaalsContact CE2-NH2 3.31Å; Y426-R466 PolarHBondContact OH-NH1 3.14Å
427Y96.3Very high93.2Very high0 Ų058.8 Ų58.80%032%0.322CS..THydrogen-bonded Turntrans-108.413.2-177.5-68-73.6000114.1I63 L350 Y352 A353 L423 D424 A425 D429 L430 I431 W462I63-Y427 HydrophobicContact CB-CD2 4.24Å; I63-Y427 HydrophobicContact CD1-CD1 4.28Å; I63-Y427 HydrophobicContact CD1-CD2 4.14Å; I63-Y427 HydrophobicContact CD1-CG 3.77Å; I63-Y427 HydrophobicContact CG1-CD2 3.56Å; I63-Y427 HydrophobicContact CG1-CE2 4.18Å; I63-Y427 HydrophobicContact CG1-CG 3.75Å; I63-Y427 HydrophobicContact CG2-CD2 4.24Å; L350-Y427 HydrophobicContact CD2-CD1 4.01Å; L350-Y427 HydrophobicContact CD2-CE1 3.84Å; Y352-Y427 WeakPolarHBondContact CB-OH 3.41Å; Y352-Y427 PolarHBondContact N-OH 3.47Å; Y352-Y427 VanDerWaalsContact N-OH 3.15Å; A353-Y427 HydrophobicContact CB-CE2 4.21Å; L423-Y427 HydrophobicContact CD1-CD2 4.17Å; L423-Y427 HydrophobicContact CD1-CE2 3.78Å; L423-Y427 WeakPolarHBondContact O-CD2 3.46Å; D424-Y427 CarbonylContact O-C 3.48Å; D424-Y427 PolarHBondContact O-N 2.68Å; D424-Y427 VanDerWaalsContact O-N 3.15Å; A425-Y427 PolarHBondContact O-N 3.08Å; Y427-D429 VanDerWaalsContact C-N 3.27Å; Y427-D429 PolarHBondContact O-N 3.25Å; Y427-D429 VanDerWaalsContact O-N 3.11Å; Y427-L430 HydrophobicContact CD1-CD1 4.03Å; Y427-L430 WeakPolarHBondContact O-CB 3.42Å; Y427-L430 PolarHBondContact O-N 3.13Å; Y427-I431 WeakPolarHBondContact O-CG1 3.17Å; Y427-I431 PolarHBondContact O-N 2.81Å; Y427-W462 AromaticContact CD1-CH2 3.47Å; Y427-W462 HydrophobicContact CD1-CH2 3.47Å; Y427-W462 VanDerWaalsContact CD1-CH2 3.47Å; Y427-W462 AromaticContact CD1-CZ2 3.73Å; Y427-W462 HydrophobicContact CD1-CZ2 3.73Å; Y427-W462 HydrophobicContact CD1-CZ3 4.23Å; Y427-W462 AromaticContact CE1-CH2 3.46Å; Y427-W462 HydrophobicContact CE1-CH2 3.46Å; Y427-W462 VanDerWaalsContact CE1-CH2 3.46Å; Y427-W462 HydrophobicContact CE1-CZ2 4.18Å; Y427-W462 HydrophobicContact CE1-CZ3 4.08Å
428S95.7Very high92.5Very high65 Ų6562.3 Ų62.346%0.45534%0.344SS..G310 helixtrans-52.3-38.1-171.748.90000114.6D424 A425 L430 I431D424-S428 PolarHBondContact O-N 2.83Å; A425-S428 WeakPolarHBondContact O-CB 3.5Å; A425-S428 PolarHBondContact O-N 2.83Å; A425-S428 PolarHBondContact O-OG 2.98Å; S428-L430 PolarHBondContact O-N 3.27Å; S428-I431 PolarHBondContact O-N 3.06Å
429D95.1Very high92.1Very high64 Ų6468.2 Ų68.234%0.34237%0.368SS..G310 helixtrans-71.4-9.6178.8-64.3-43.5000115.1Y427 P442 T444 V445Y427-D429 VanDerWaalsContact C-N 3.27Å; Y427-D429 PolarHBondContact O-N 3.25Å; Y427-D429 VanDerWaalsContact O-N 3.11Å; D429-P442 HydrophobicContact CB-CB 4.3Å; D429-P442 HydrophobicContact CB-CG 4.45Å; D429-T444 CarbonylContact O-C 3.48Å; D429-T444 PolarHBondContact O-OG1 3.41Å; D429-V445 PolarHBondContact O-N 3.42Å
430L97Very high91.5Very high0 Ų071.4 Ų71.40%038%0.38CS..G310 helixtrans-98.6-24.4173.2-62.4-177.2000112.2L66 L350 Y427 S428 T444 I446 V459 W462L66-L430 HydrophobicContact CD2-CB 4.34Å; L350-L430 HydrophobicContact CD2-CD1 3.78Å; Y427-L430 HydrophobicContact CD1-CD1 4.03Å; Y427-L430 WeakPolarHBondContact O-CB 3.42Å; Y427-L430 PolarHBondContact O-N 3.13Å; S428-L430 PolarHBondContact O-N 3.27Å; L430-T444 WeakPolarHBondContact CD2-O 3.43Å; L430-I446 HydrophobicContact CB-CD1 4.31Å; L430-I446 HydrophobicContact CD2-CD1 4.47Å; L430-I446 PolarHBondContact O-N 3.35Å; L430-V459 HydrophobicContact CD1-CG2 4.35Å; L430-V459 HydrophobicContact CD2-CG2 4.41Å; L430-W462 HydrophobicContact CD1-CD2 3.84Å; L430-W462 HydrophobicContact CD1-CE3 3.72Å; L430-W462 HydrophobicContact CD1-CG 4.4Å; L430-W462 HydrophobicContact CD1-CH2 4.41Å; L430-W462 HydrophobicContact CD1-CZ2 4.45Å; L430-W462 HydrophobicContact CD1-CZ3 4.05Å; L430-W462 HydrophobicContact CD2-CB 3.66Å; L430-W462 HydrophobicContact CD2-CD2 3.98Å; L430-W462 HydrophobicContact CD2-CE3 4.37Å; L430-W462 HydrophobicContact CD2-CG 3.65Å; L430-W462 HydrophobicContact CG-CB 4.46Å; L430-W462 HydrophobicContact CG-CD2 3.83Å; L430-W462 HydrophobicContact CG-CE3 4.22Å; L430-W462 HydrophobicContact CG-CG 3.92Å
431I96.1Very high91.2Very high16 Ų1672 Ų728%0.08238%0.38CS..SBendtrans-87.2130.8-174-60.1167.3000108.9K62 I63 L66 D424 Y427 S428 P433K62-I431 HydrophobicContact CB-CD1 4.2Å; K62-I431 HydrophobicContact CB-CG2 3.84Å; K62-I431 HydrophobicContact CD-CG2 4.02Å; I63-I431 HydrophobicContact CB-CD1 4Å; I63-I431 HydrophobicContact CD1-CD1 4.34Å; I63-I431 HydrophobicContact CD1-CG1 4.15Å; L66-I431 HydrophobicContact CD2-CG1 4.02Å; D424-I431 HydrophobicContact CB-CD1 4.27Å; Y427-I431 WeakPolarHBondContact O-CG1 3.17Å; Y427-I431 PolarHBondContact O-N 2.81Å; S428-I431 PolarHBondContact O-N 3.06Å; I431-P433 VanDerWaalsContact O-CD 3.28Å; I431-P433 WeakPolarHBondContact O-CD 3.14Å
432P93.6Very high90.9Very high46 Ų4666.5 Ų66.530%0.29936%0.358SS..PPolyproline II helixtrans-53.7121.3169.7-26.835.4000111W441 V445 I446P432-W441 HydrophobicContact CB-CH2 3.93Å; P432-W441 HydrophobicContact CB-CZ2 4.4Å; P432-W441 HydrophobicContact CB-CZ3 4.1Å; P432-V445 HydrophobicContact CB-CG1 4.18Å; P432-V445 HydrophobicContact CG-CG1 3.86Å; P432-I446 WeakPolarHBondContact CG-O 3.38Å
433P90.2Very high90.7Very high47 Ų4771.1 Ų71.131%0.30537%0.374SS..PPolyproline II helixtrans-61.2160.4174.4-20.731.7000111.4I431 N435 W441I431-P433 VanDerWaalsContact O-CD 3.28Å; I431-P433 WeakPolarHBondContact O-CD 3.14Å; P433-N435 WeakPolarHBondContact CB-OD1 3.49Å; P433-N435 PolarHBondContact O-N 2.99Å; P433-W441 HydrophobicContact CG-CG 4.19Å
434D86Confident90.6Very high133 Ų13371.6 Ų71.671%0.71138%0.377SS*.SBendtrans-71.1-9177.6-63.2-32.1000112.8K62K62-D434 IonicContact NZ-OD1 2.67Å; K62-D434 PolarHBondContact NZ-OD1 3.23Å; K62-D434 IonicContact NZ-OD2 3.53Å; K62-D434 PolarHBondContact NZ-OD2 3.32Å
435N83.6Confident90.6Very high61 Ų6170.4 Ų70.433%0.32637%0.371SS..SBendtrans-79.3141.8175726.1000111.2P433 D437 E440 W441P433-N435 WeakPolarHBondContact CB-OD1 3.49Å; P433-N435 PolarHBondContact O-N 2.99Å; N435-D437 VanDerWaalsContact C-N 3.3Å; N435-D437 PolarHBondContact O-N 3.21Å; N435-E440 PolarHBondContact ND2-OE2 3.24Å; N435-W441 WeakPolarHBondContact O-CZ2 3.47Å; N435-W441 PolarHBondContact O-NE1 2.91Å; N435-W441 VanDerWaalsContact O-NE1 3.12Å; N435-W441 VanDerWaalsContact OD1-CD1 3.24Å; N435-W441 PolarHBondContact OD1-NE1 3.29Å
436N78.4Confident90.6Very high160 Ų16067.5 Ų67.586%0.85635%0.347SS*.SBendtrans-82.2-7.8178.5-72.9-25.2000113.2T438N436-T438 PolarHBondContact O-N 3Å
437D83.9Confident90.5Very high76 Ų7670.1 Ų70.141%0.40636%0.356SS..  trans-81.489.2179-164.2-11000111.5N435 K439 E440 W441N435-D437 VanDerWaalsContact C-N 3.3Å; N435-D437 PolarHBondContact O-N 3.21Å; D437-K439 PolarHBondContact O-N 3.26Å; D437-K439 VanDerWaalsContact OD1-CB 3.31Å; D437-K439 WeakPolarHBondContact OD1-CB 3.4Å; D437-K439 PolarHBondContact OD1-N 2.92Å; D437-E440 HydrophobicContact CB-CG 4.49Å; D437-E440 PolarHBondContact O-N 3.32Å; D437-E440 VanDerWaalsContact O-N 3.09Å; D437-W441 VanDerWaalsContact O-CD1 3.25Å; D437-W441 PolarHBondContact O-NE1 3.4Å
438T82.7Confident90.2Very high74 Ų7475 Ų7545%0.45439%0.39SS..THydrogen-bonded Turntrans-59.1-13.2178.661.60000114.8N436 E440 W441N436-T438 PolarHBondContact O-N 3Å; T438-E440 VanDerWaalsContact C-N 3.32Å; T438-W441 HydrophobicContact CG2-CD2 4.15Å; T438-W441 HydrophobicContact CG2-CE3 4.14Å; T438-W441 HydrophobicContact CG2-CH2 3.92Å; T438-W441 HydrophobicContact CG2-CZ2 3.91Å; T438-W441 HydrophobicContact CG2-CZ3 4.03Å
439K84.4Confident89.8Confident190 Ų19077.6 Ų77.683%0.82640%0.403SS*.THydrogen-bonded Turntrans-74.7-24.8176.8-64177.1-178.2172.60112.7D437D437-K439 PolarHBondContact O-N 3.26Å; D437-K439 VanDerWaalsContact OD1-CB 3.31Å; D437-K439 WeakPolarHBondContact OD1-CB 3.4Å; D437-K439 PolarHBondContact OD1-N 2.92Å
440E85Confident89.6Confident138 Ų13875.3 Ų75.365%0.64539%0.391SS*.SBendtrans-88.1-9.3178.5-61-172.3160.500112.3N435 D437 T438N435-E440 PolarHBondContact ND2-OE2 3.24Å; D437-E440 HydrophobicContact CB-CG 4.49Å; D437-E440 PolarHBondContact O-N 3.32Å; D437-E440 VanDerWaalsContact O-N 3.09Å; T438-E440 VanDerWaalsContact C-N 3.32Å
441W89.7Confident89.3Confident48 Ų4877.5 Ų77.518%0.18241%0.407CS..SBendtrans-68.1140.6-176.9-67.98.7000111.3P432 P433 N435 D437 T438 K443 V445P432-W441 HydrophobicContact CB-CH2 3.93Å; P432-W441 HydrophobicContact CB-CZ2 4.4Å; P432-W441 HydrophobicContact CB-CZ3 4.1Å; P433-W441 HydrophobicContact CG-CG 4.19Å; N435-W441 WeakPolarHBondContact O-CZ2 3.47Å; N435-W441 PolarHBondContact O-NE1 2.91Å; N435-W441 VanDerWaalsContact O-NE1 3.12Å; N435-W441 VanDerWaalsContact OD1-CD1 3.24Å; N435-W441 PolarHBondContact OD1-NE1 3.29Å; D437-W441 VanDerWaalsContact O-CD1 3.25Å; D437-W441 PolarHBondContact O-NE1 3.4Å; T438-W441 HydrophobicContact CG2-CD2 4.15Å; T438-W441 HydrophobicContact CG2-CE3 4.14Å; T438-W441 HydrophobicContact CG2-CH2 3.92Å; T438-W441 HydrophobicContact CG2-CZ2 3.91Å; T438-W441 HydrophobicContact CG2-CZ3 4.03Å; W441-K443 PolarHBondContact O-N 2.78Å; W441-V445 HydrophobicContact CB-CG2 4.12Å; W441-V445 HydrophobicContact CD2-CG1 4.42Å; W441-V445 HydrophobicContact CE3-CB 4.35Å; W441-V445 HydrophobicContact CE3-CG1 3.63Å; W441-V445 HydrophobicContact CZ3-CG1 4.04Å
442P90.9Very high89.1Confident44 Ų4477.2 Ų77.229%0.28641%0.405SS..  trans-51.3140.9168-25.933.1000111.1D429 T444 V445D429-P442 HydrophobicContact CB-CB 4.3Å; D429-P442 HydrophobicContact CB-CG 4.45Å; P442-T444 PolarHBondContact O-N 3.47Å; P442-V445 HydrophobicContact CB-CG2 4.08Å; P442-V445 HydrophobicContact CG-CG2 4.19Å; P442-V445 WeakPolarHBondContact O-CB 3.44Å; P442-V445 WeakPolarHBondContact O-CG2 3.3Å; P442-V445 PolarHBondContact O-N 2.74Å
443K91.9Very high89Confident193 Ų19375.3 Ų75.384%0.83939%0.392SS*.THydrogen-bonded Turntrans-61.9-16.9179.9-67.9-178.4-179.91760112.9W441 R458W441-K443 PolarHBondContact O-N 2.78Å; K443-R458 PolarHBondContact O-NH1 3.41Å
444T95.4Very high89.1Confident9 Ų975.3 Ų75.36%0.05539%0.389CS..THydrogen-bonded Turntrans-88.1-7.5179.548.20000113.7D429 L430 P442 I446 K461 W462D429-T444 CarbonylContact O-C 3.48Å; D429-T444 PolarHBondContact O-OG1 3.41Å; L430-T444 WeakPolarHBondContact CD2-O 3.43Å; P442-T444 PolarHBondContact O-N 3.47Å; T444-I446 PolarHBondContact O-N 2.89Å; T444-K461 HydrophobicContact CG2-CB 4.22Å; T444-K461 HydrophobicContact CG2-CG 4.09Å; T444-W462 HydrophobicContact CG2-CB 3.75Å
445V96.6Very high89.5Confident1 Ų169 Ų691%0.00636%0.355CS..PPolyproline II helixtrans-56.5127.2178.3167.80000110.7D429 P432 W441 P442 R458D429-V445 PolarHBondContact O-N 3.42Å; P432-V445 HydrophobicContact CB-CG1 4.18Å; P432-V445 HydrophobicContact CG-CG1 3.86Å; W441-V445 HydrophobicContact CB-CG2 4.12Å; W441-V445 HydrophobicContact CD2-CG1 4.42Å; W441-V445 HydrophobicContact CE3-CB 4.35Å; W441-V445 HydrophobicContact CE3-CG1 3.63Å; W441-V445 HydrophobicContact CZ3-CG1 4.04Å; P442-V445 HydrophobicContact CB-CG2 4.08Å; P442-V445 HydrophobicContact CG-CG2 4.19Å; P442-V445 WeakPolarHBondContact O-CB 3.44Å; P442-V445 WeakPolarHBondContact O-CG2 3.3Å; P442-V445 PolarHBondContact O-N 2.74Å; V445-R458 WeakPolarHBondContact O-CD 3.42Å; V445-R458 PolarHBondContact O-NE 3.27Å
446I95.9Very high89.9Confident0 Ų066.2 Ų66.20%034%0.34CS..PPolyproline II helixtrans-80.9121.9176.2-65.4167.7000108.8L66 V70 L430 P432 T444 I455 V459L66-I446 HydrophobicContact CD1-CB 4.04Å; L66-I446 HydrophobicContact CD1-CG2 3.84Å; L66-I446 HydrophobicContact CD2-CB 4.39Å; L66-I446 HydrophobicContact CD2-CD1 4.17Å; V70-I446 HydrophobicContact CG2-CD1 4.22Å; V70-I446 HydrophobicContact CG2-CG2 4.47Å; L430-I446 HydrophobicContact CB-CD1 4.31Å; L430-I446 HydrophobicContact CD2-CD1 4.47Å; L430-I446 PolarHBondContact O-N 3.35Å; P432-I446 WeakPolarHBondContact CG-O 3.38Å; T444-I446 PolarHBondContact O-N 2.89Å; I446-I455 HydrophobicContact CD1-CG2 3.97Å; I446-I455 HydrophobicContact CG1-CG2 4.31Å; I446-I455 HydrophobicContact CG2-CD1 4.15Å; I446-I455 HydrophobicContact CG2-CG1 3.94Å; I446-V459 HydrophobicContact CD1-CG2 3.9Å
447R92.3Very high90.6Very high108 Ų10859.7 Ų59.741%0.40831%0.306SS..PPolyproline II helixtrans-97.9152.3179.4-56.7175.5-177.6-174.4-3.6110.2Q69 T449 D450Q69-R447 PolarHBondContact NE2-O 3.42Å; R447-T449 PolarHBondContact O-N 3.24Å; R447-T449 VanDerWaalsContact O-N 3.11Å; R447-D450 PolarHBondContact N-OD2 3.32Å; R447-D450 WeakPolarHBondContact O-CB 3.2Å; R447-D450 PolarHBondContact O-N 3.5Å
448S88.9Confident91.2Very high101 Ų10158.3 Ų58.371%0.70630%0.295SS*.THydrogen-bonded Turntrans-60.5-19.4175.3540000114.5
449T89.2Confident91.8Very high120 Ų12054.8 Ų54.874%0.73627%0.273SS*.THydrogen-bonded Turntrans-96.4-5178.159.50000113.9R447R447-T449 PolarHBondContact O-N 3.24Å; R447-T449 VanDerWaalsContact O-N 3.11Å
450D91Very high92.2Very high16 Ų1645.8 Ų45.89%0.08623%0.234CC..  trans-70.5135-178.9-71.8-29.4000109.7T73 R447 I454 I455 R458T73-D450 WeakPolarHBondContact CG2-O 3.38Å; R447-D450 PolarHBondContact N-OD2 3.32Å; R447-D450 WeakPolarHBondContact O-CB 3.2Å; R447-D450 PolarHBondContact O-N 3.5Å; D450-I454 HydrophobicContact CB-CB 4.11Å; D450-I454 HydrophobicContact CB-CG2 3.92Å; D450-I454 WeakPolarHBondContact OD1-CG2 3.35Å; D450-I455 HydrophobicContact CB-CD1 4.41Å; D450-I455 HydrophobicContact CB-CG1 3.73Å; D450-R458 IonicContact OD1-CZ 3.92Å; D450-R458 IonicContact OD1-NE 3.25Å; D450-R458 IonicContact OD1-NH2 3.52Å; D450-R458 PolarHBondContact OD1-NH2 2.86Å; D450-R458 IonicContact OD2-CZ 3.66Å; D450-R458 IonicContact OD2-NE 2.71Å; D450-R458 PolarHBondContact OD2-NE 2.94Å; D450-R458 IonicContact OD2-NH2 3.57Å; D450-R458 PolarHBondContact OD2-NH2 3.43Å
451S90.4Very high92.7Very high47 Ų4742.2 Ų42.233%0.32922%0.216SC..  trans-73.7162168.368.10000110.4F453 I454 I455S451-F453 PolarHBondContact O-N 3.38Å; S451-F453 VanDerWaalsContact O-N 3.12Å; S451-I454 PolarHBondContact O-N 2.76Å; S451-I455 WeakPolarHBondContact O-CG1 3.47Å; S451-I455 PolarHBondContact O-N 2.96Å
452L90.9Very high92.9Very high9 Ų940.4 Ų40.45%0.04721%0.209CC..Hα-helixtrans-52.9-38176-178.265.9000112.7C74 F334 Y338 I454 I455 H456C74-L452 HydrophobicContact CB-CD1 4.1Å; C74-L452 HydrophobicContact CB-CD2 4.07Å; F334-L452 HydrophobicContact CE1-CD2 3.77Å; F334-L452 HydrophobicContact CZ-CD2 4.4Å; Y338-L452 HydrophobicContact CD1-CD1 4.16Å; Y338-L452 HydrophobicContact CE1-CD1 3.88Å; L452-I454 VanDerWaalsContact C-N 3.35Å; L452-I454 PolarHBondContact O-N 3.24Å; L452-I455 PolarHBondContact O-N 2.95Å; L452-H456 WeakPolarHBondContact O-CB 3.49Å; L452-H456 PolarHBondContact O-N 2.91Å
453F91.7Very high93Very high6 Ų639.3 Ų39.33%0.02620%0.201CC..Hα-helixtrans-58.5-44.8175.4178.9-94.5000112.3P87 L88 M91 Q304 F307 L308 S451 N457P87-F453 HydrophobicContact CB-CD1 3.8Å; P87-F453 HydrophobicContact CB-CE1 3.4Å; P87-F453 VanDerWaalsContact CB-CE1 3.4Å; P87-F453 HydrophobicContact CB-CZ 4.39Å; L88-F453 HydrophobicContact CB-CZ 4.35Å; M91-F453 HydrophobicContact CE-CZ 4.43Å; M91-F453 HydrophobicContact SD-CE1 3.83Å; M91-F453 HydrophobicContact SD-CE2 4.42Å; M91-F453 HydrophobicContact SD-CZ 3.37Å; M91-F453 WeakPolarHBondContact SD-CZ 3.47Å; Q304-F453 HydrophobicContact CB-CE2 4.07Å; Q304-F453 HydrophobicContact CG-CE2 4.34Å; Q304-F453 VanDerWaalsContact OE1-CE2 3.31Å; F307-F453 HydrophobicContact CB-CD2 4.18Å; L308-F453 HydrophobicContact CD2-CD2 3.47Å; L308-F453 VanDerWaalsContact CD2-CD2 3.47Å; L308-F453 HydrophobicContact CD2-CE2 3.51Å; L308-F453 HydrophobicContact CD2-CG 4.24Å; L308-F453 HydrophobicContact CD2-CZ 4.31Å; L308-F453 HydrophobicContact CG-CD2 4.3Å; L308-F453 HydrophobicContact CG-CE2 4.38Å; S451-F453 PolarHBondContact O-N 3.38Å; S451-F453 VanDerWaalsContact O-N 3.12Å; F453-N457 PolarHBondContact O-N 2.88Å; F453-N457 PolarHBondContact O-ND2 3.07Å
454I92.3Very high93.1Very high47 Ų4730.4 Ų30.424%0.24116%0.162CC..Hα-helixtrans-69.7-43.2177.3-61.4-61.8000110.6P87 D450 S451 L452 H456 N457 R458P87-I454 HydrophobicContact CB-CD1 4.14Å; P87-I454 HydrophobicContact CG-CD1 4.32Å; D450-I454 HydrophobicContact CB-CB 4.11Å; D450-I454 HydrophobicContact CB-CG2 3.92Å; D450-I454 WeakPolarHBondContact OD1-CG2 3.35Å; S451-I454 PolarHBondContact O-N 2.76Å; L452-I454 VanDerWaalsContact C-N 3.35Å; L452-I454 PolarHBondContact O-N 3.24Å; I454-H456 VanDerWaalsContact C-N 3.33Å; I454-H456 PolarHBondContact O-N 3.48Å; I454-N457 PolarHBondContact O-N 3.44Å; I454-R458 HydrophobicContact CG2-CG 4.48Å; I454-R458 WeakPolarHBondContact O-CG 3.39Å; I454-R458 PolarHBondContact O-N 2.99Å
455I94.1Very high93Very high0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-55.6-48.7175.9-66173.4000110.3V70 T73 I446 D450 S451 L452 N457 R458 V459V70-I455 HydrophobicContact CG1-CG2 4.16Å; V70-I455 HydrophobicContact CG2-CD1 4.34Å; V70-I455 HydrophobicContact CG2-CG2 4.07Å; T73-I455 HydrophobicContact CG2-CD1 3.8Å; I446-I455 HydrophobicContact CD1-CG2 3.97Å; I446-I455 HydrophobicContact CG1-CG2 4.31Å; I446-I455 HydrophobicContact CG2-CD1 4.15Å; I446-I455 HydrophobicContact CG2-CG1 3.94Å; D450-I455 HydrophobicContact CB-CD1 4.41Å; D450-I455 HydrophobicContact CB-CG1 3.73Å; S451-I455 WeakPolarHBondContact O-CG1 3.47Å; S451-I455 PolarHBondContact O-N 2.96Å; L452-I455 PolarHBondContact O-N 2.95Å; I455-N457 PolarHBondContact O-N 2.79Å; I455-R458 PolarHBondContact O-N 2.88Å; I455-V459 HydrophobicContact CG2-CG2 4.22Å; I455-V459 WeakPolarHBondContact O-CG2 3.42Å; I455-V459 PolarHBondContact O-N 2.84Å
456H93.5Very high92.8Very high3 Ų334.3 Ų34.31%0.01418%0.179CC..Hα-helixtrans-55.2-50.4178.3172.865.8000112.2F307 Y338 L452 I454 R458 V459 I460F307-H456 HydrophobicContact CD1-CB 4.13Å; F307-H456 HydrophobicContact CD2-CB 4.47Å; F307-H456 AromaticContact CD2-CD2 3.44Å; F307-H456 VanDerWaalsContact CD2-CD2 3.44Å; F307-H456 WeakPolarHBondContact CD2-CD2 3.3Å; F307-H456 AromaticContact CD2-CG 3.78Å; F307-H456 AromaticContact CD2-NE2 3.7Å; F307-H456 HydrophobicContact CE1-CB 4.42Å; F307-H456 AromaticContact CE1-CG 3.96Å; F307-H456 AromaticContact CE1-ND1 3.75Å; F307-H456 AromaticContact CE2-CD2 3.45Å; F307-H456 VanDerWaalsContact CE2-CD2 3.45Å; F307-H456 WeakPolarHBondContact CE2-CD2 3.23Å; F307-H456 AromaticContact CE2-CE1 3.33Å; F307-H456 WeakPolarHBondContact CE2-CE1 3.47Å; F307-H456 AromaticContact CE2-CG 3.72Å; F307-H456 AromaticContact CE2-ND1 3.67Å; F307-H456 AromaticContact CE2-NE2 3.21Å; F307-H456 WeakPolarHBondContact CE2-NE2 3.44Å; F307-H456 HydrophobicContact CG-CB 4.17Å; F307-H456 AromaticContact CG-CG 3.94Å; F307-H456 AromaticContact CZ-CE1 3.35Å; F307-H456 WeakPolarHBondContact CZ-CE1 3.21Å; F307-H456 AromaticContact CZ-CG 3.82Å; F307-H456 AromaticContact CZ-ND1 3.41Å; F307-H456 WeakPolarHBondContact CZ-ND1 3.38Å; F307-H456 AromaticContact CZ-NE2 3.76Å; Y338-H456 HydrophobicContact CE2-CB 4.22Å; Y338-H456 AromaticContact CE2-ND1 3.71Å; Y338-H456 VanDerWaalsContact OH-CA 3.23Å; Y338-H456 WeakPolarHBondContact OH-CA 3.24Å; L452-H456 WeakPolarHBondContact O-CB 3.49Å; L452-H456 PolarHBondContact O-N 2.91Å; I454-H456 VanDerWaalsContact C-N 3.33Å; I454-H456 PolarHBondContact O-N 3.48Å; H456-R458 VanDerWaalsContact C-N 3.31Å; H456-R458 PolarHBondContact O-N 2.84Å; H456-V459 PolarHBondContact O-N 3.27Å; H456-I460 WeakPolarHBondContact CE1-CG1 3.46Å; H456-I460 WeakPolarHBondContact O-CB 3.35Å; H456-I460 WeakPolarHBondContact O-CG1 3.13Å; H456-I460 PolarHBondContact O-N 3.45Å
457N93Very high92.6Very high24 Ų2436.3 Ų36.313%0.12819%0.189CC..Hα-helixtrans-64.4-34.6-179.8-77.5-73.5000112.6Y124 Q304 F453 I454 I455 K461Y124-N457 WeakPolarHBondContact CD1-OD1 3.4Å; Q304-N457 PolarHBondContact OE1-ND2 3.21Å; F453-N457 PolarHBondContact O-N 2.88Å; F453-N457 PolarHBondContact O-ND2 3.07Å; I454-N457 PolarHBondContact O-N 3.44Å; I455-N457 PolarHBondContact O-N 2.79Å; N457-K461 WeakPolarHBondContact O-CB 3.09Å; N457-K461 PolarHBondContact O-N 3.08Å
458R95.1Very high92.6Very high47 Ų4732.3 Ų32.318%0.17718%0.176CC..Hα-helixtrans-67.2-45.7173.4-69.8-171.6-162.5-75-0.2112.5K443 V445 D450 I454 I455 H456 K461 W462K443-R458 PolarHBondContact O-NH1 3.41Å; V445-R458 WeakPolarHBondContact O-CD 3.42Å; V445-R458 PolarHBondContact O-NE 3.27Å; D450-R458 IonicContact OD1-CZ 3.92Å; D450-R458 IonicContact OD1-NE 3.25Å; D450-R458 IonicContact OD1-NH2 3.52Å; D450-R458 PolarHBondContact OD1-NH2 2.86Å; D450-R458 IonicContact OD2-CZ 3.66Å; D450-R458 IonicContact OD2-NE 2.71Å; D450-R458 PolarHBondContact OD2-NE 2.94Å; D450-R458 IonicContact OD2-NH2 3.57Å; D450-R458 PolarHBondContact OD2-NH2 3.43Å; I454-R458 HydrophobicContact CG2-CG 4.48Å; I454-R458 WeakPolarHBondContact O-CG 3.39Å; I454-R458 PolarHBondContact O-N 2.99Å; I455-R458 PolarHBondContact O-N 2.88Å; H456-R458 VanDerWaalsContact C-N 3.31Å; H456-R458 PolarHBondContact O-N 2.84Å; R458-K461 PolarHBondContact O-N 2.91Å; R458-W462 WeakPolarHBondContact O-CB 3.32Å; R458-W462 PolarHBondContact O-N 3.35Å
459V95.2Very high92.8Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-64-44.4179.6177.50000110.2F349 L430 I446 I455 H456 K461 W462 M463F349-V459 HydrophobicContact CB-CG1 4.2Å; F349-V459 HydrophobicContact CD1-CG1 3.72Å; F349-V459 HydrophobicContact CG-CG1 4.44Å; L430-V459 HydrophobicContact CD1-CG2 4.35Å; L430-V459 HydrophobicContact CD2-CG2 4.41Å; I446-V459 HydrophobicContact CD1-CG2 3.9Å; I455-V459 HydrophobicContact CG2-CG2 4.22Å; I455-V459 WeakPolarHBondContact O-CG2 3.42Å; I455-V459 PolarHBondContact O-N 2.84Å; H456-V459 PolarHBondContact O-N 3.27Å; V459-K461 PolarHBondContact O-N 3.44Å; V459-W462 HydrophobicContact CG1-CE3 4.34Å; V459-W462 WeakPolarHBondContact O-CB 3.38Å; V459-W462 PolarHBondContact O-N 3.1Å; V459-M463 HydrophobicContact CG1-CG 4.46Å; V459-M463 HydrophobicContact CG1-SD 3.71Å; V459-M463 WeakPolarHBondContact O-CG 3.41Å; V459-M463 PolarHBondContact O-N 2.95Å
460I94Very high92.9Very high1 Ų131.9 Ų31.91%0.00515%0.154CC..Hα-helixtrans-59.3-46.3175-73.5-63.7000111.7Y124 S125 F349 H456 W462 M463 I464Y124-I460 VanDerWaalsContact C-CG2 3.41Å; S125-I460 VanDerWaalsContact CB-CG2 3.45Å; F349-I460 HydrophobicContact CE1-CD1 3.61Å; F349-I460 HydrophobicContact CE1-CG1 4.26Å; F349-I460 HydrophobicContact CZ-CD1 4.34Å; H456-I460 WeakPolarHBondContact CE1-CG1 3.46Å; H456-I460 WeakPolarHBondContact O-CB 3.35Å; H456-I460 WeakPolarHBondContact O-CG1 3.13Å; H456-I460 PolarHBondContact O-N 3.45Å; I460-W462 VanDerWaalsContact C-N 3.34Å; I460-W462 PolarHBondContact O-N 3Å; I460-M463 HydrophobicContact CD1-SD 4.48Å; I460-M463 PolarHBondContact O-N 3.49Å; I460-I464 PolarHBondContact O-N 2.69Å
461K94.3Very high93Very high63 Ų6332.1 Ų32.127%0.27416%0.155SC..Hα-helixtrans-60.2-45177.9-178.558.6168.371.10111.9T444 N457 R458 V459 M463 I464 D465T444-K461 HydrophobicContact CG2-CB 4.22Å; T444-K461 HydrophobicContact CG2-CG 4.09Å; N457-K461 WeakPolarHBondContact O-CB 3.09Å; N457-K461 PolarHBondContact O-N 3.08Å; R458-K461 PolarHBondContact O-N 2.91Å; V459-K461 PolarHBondContact O-N 3.44Å; K461-M463 VanDerWaalsContact C-N 3.32Å; K461-M463 PolarHBondContact O-N 2.92Å; K461-I464 PolarHBondContact O-N 2.91Å; K461-D465 IonicContact NZ-OD1 3.75Å; K461-D465 PolarHBondContact NZ-OD1 3.01Å; K461-D465 IonicContact NZ-OD2 3.94Å; K461-D465 PolarHBondContact NZ-OD2 3.33Å; K461-D465 WeakPolarHBondContact O-CB 3.29Å; K461-D465 VanDerWaalsContact O-CG 3.24Å; K461-D465 PolarHBondContact O-N 3.17Å
462W95.2Very high92.9Very high9 Ų932.1 Ų32.13%0.03416%0.162CC..Hα-helixtrans-57.8-43175.2168.673.8000112.2Y426 Y427 L430 T444 R458 V459 I460 D465 R466Y426-W462 HydrophobicContact CD1-CH2 4.44Å; Y426-W462 HydrophobicContact CD1-CZ2 4.48Å; Y426-W462 AromaticContact CE1-CH2 3.88Å; Y426-W462 HydrophobicContact CE1-CH2 3.88Å; Y426-W462 HydrophobicContact CE1-CZ2 4.25Å; Y427-W462 AromaticContact CD1-CH2 3.47Å; Y427-W462 HydrophobicContact CD1-CH2 3.47Å; Y427-W462 VanDerWaalsContact CD1-CH2 3.47Å; Y427-W462 AromaticContact CD1-CZ2 3.73Å; Y427-W462 HydrophobicContact CD1-CZ2 3.73Å; Y427-W462 HydrophobicContact CD1-CZ3 4.23Å; Y427-W462 AromaticContact CE1-CH2 3.46Å; Y427-W462 HydrophobicContact CE1-CH2 3.46Å; Y427-W462 VanDerWaalsContact CE1-CH2 3.46Å; Y427-W462 HydrophobicContact CE1-CZ2 4.18Å; Y427-W462 HydrophobicContact CE1-CZ3 4.08Å; L430-W462 HydrophobicContact CD1-CD2 3.84Å; L430-W462 HydrophobicContact CD1-CE3 3.72Å; L430-W462 HydrophobicContact CD1-CG 4.4Å; L430-W462 HydrophobicContact CD1-CH2 4.41Å; L430-W462 HydrophobicContact CD1-CZ2 4.45Å; L430-W462 HydrophobicContact CD1-CZ3 4.05Å; L430-W462 HydrophobicContact CD2-CB 3.66Å; L430-W462 HydrophobicContact CD2-CD2 3.98Å; L430-W462 HydrophobicContact CD2-CE3 4.37Å; L430-W462 HydrophobicContact CD2-CG 3.65Å; L430-W462 HydrophobicContact CG-CB 4.46Å; L430-W462 HydrophobicContact CG-CD2 3.83Å; L430-W462 HydrophobicContact CG-CE3 4.22Å; L430-W462 HydrophobicContact CG-CG 3.92Å; T444-W462 HydrophobicContact CG2-CB 3.75Å; R458-W462 WeakPolarHBondContact O-CB 3.32Å; R458-W462 PolarHBondContact O-N 3.35Å; V459-W462 HydrophobicContact CG1-CE3 4.34Å; V459-W462 WeakPolarHBondContact O-CB 3.38Å; V459-W462 PolarHBondContact O-N 3.1Å; I460-W462 VanDerWaalsContact C-N 3.34Å; I460-W462 PolarHBondContact O-N 3Å; W462-D465 PolarHBondContact O-N 3.22Å; W462-R466 VanDerWaalsContact CE2-CD 3.48Å; W462-R466 WeakPolarHBondContact O-CG 3.24Å; W462-R466 PolarHBondContact O-N 3.39Å; W462-R466 VanDerWaalsContact O-N 3.12Å
463M93.1Very high93Very high22 Ų2234.6 Ų34.611%0.10818%0.18CC..Hα-helixtrans-66-45.7179.5-67161.769.700112.2G346 R347 E348 F349 V459 I460 K461 R466 L467G346-M463 WeakPolarHBondContact O-CE 3.42Å; R347-M463 VanDerWaalsContact C-CE 3.46Å; R347-M463 HydrophobicContact CB-CE 4.37Å; E348-M463 VanDerWaalsContact N-CE 3.27Å; F349-M463 HydrophobicContact CD1-CE 4.27Å; F349-M463 HydrophobicContact CD1-SD 3.69Å; F349-M463 HydrophobicContact CE1-SD 4.25Å; F349-M463 HydrophobicContact CG-SD 4.47Å; V459-M463 HydrophobicContact CG1-CG 4.46Å; V459-M463 HydrophobicContact CG1-SD 3.71Å; V459-M463 WeakPolarHBondContact O-CG 3.41Å; V459-M463 PolarHBondContact O-N 2.95Å; I460-M463 HydrophobicContact CD1-SD 4.48Å; I460-M463 PolarHBondContact O-N 3.49Å; K461-M463 VanDerWaalsContact C-N 3.32Å; K461-M463 PolarHBondContact O-N 2.92Å; M463-R466 PolarHBondContact O-N 2.71Å; M463-L467 VanDerWaalsContact O-CB 3.3Å; M463-L467 WeakPolarHBondContact O-CB 3.29Å; M463-L467 PolarHBondContact O-N 3.14Å
464I93.4Very high93.1Very high6 Ų640.9 Ų40.93%0.03121%0.207CC..Hα-helixtrans-68.2-37.2178.9-62.8-64.8000111.2W121 R122 I460 K461 L467 V468W121-I464 HydrophobicContact CH2-CG2 4.32Å; W121-I464 HydrophobicContact CZ2-CD1 4.35Å; W121-I464 HydrophobicContact CZ2-CG2 4.41Å; W121-I464 HydrophobicContact CZ3-CG2 4.46Å; R122-I464 WeakPolarHBondContact O-CG2 3.36Å; I460-I464 PolarHBondContact O-N 2.69Å; K461-I464 PolarHBondContact O-N 2.91Å; I464-L467 HydrophobicContact CD1-CD2 4.41Å; I464-L467 PolarHBondContact O-N 2.95Å; I464-V468 HydrophobicContact CG2-CG2 4.24Å; I464-V468 WeakPolarHBondContact O-CB 3.34Å; I464-V468 WeakPolarHBondContact O-CG2 3.39Å; I464-V468 PolarHBondContact O-N 2.89Å
465D93.8Very high93Very high33 Ų3339.9 Ų39.918%0.17620%0.201CC..Hα-helixtrans-56.4-53.8173.4-75.8-22000111.5R122 K461 W462 L467 V468 E469R122-D465 IonicContact CZ-OD1 2.67Å; R122-D465 IonicContact NH1-OD1 2.81Å; R122-D465 PolarHBondContact NH1-OD1 2.85Å; R122-D465 IonicContact NH2-OD1 2.87Å; R122-D465 PolarHBondContact NH2-OD1 3.33Å; K461-D465 IonicContact NZ-OD1 3.75Å; K461-D465 PolarHBondContact NZ-OD1 3.01Å; K461-D465 IonicContact NZ-OD2 3.94Å; K461-D465 PolarHBondContact NZ-OD2 3.33Å; K461-D465 WeakPolarHBondContact O-CB 3.29Å; K461-D465 VanDerWaalsContact O-CG 3.24Å; K461-D465 PolarHBondContact O-N 3.17Å; W462-D465 PolarHBondContact O-N 3.22Å; D465-L467 VanDerWaalsContact C-N 3.27Å; D465-L467 PolarHBondContact O-N 3.19Å; D465-V468 PolarHBondContact O-N 2.74Å; D465-E469 WeakPolarHBondContact O-CG 3.37Å; D465-E469 PolarHBondContact O-N 2.77Å
466R92.1Very high92.6Very high59 Ų5945.8 Ų45.822%0.22323%0.228CC..Hα-helixtrans-63-33.5178-68.7-175.169.7-162.99.4113Y426 W462 M463 K470Y426-R466 VanDerWaalsContact CE2-NH2 3.31Å; Y426-R466 PolarHBondContact OH-NH1 3.14Å; W462-R466 VanDerWaalsContact CE2-CD 3.48Å; W462-R466 WeakPolarHBondContact O-CG 3.24Å; W462-R466 PolarHBondContact O-N 3.39Å; W462-R466 VanDerWaalsContact O-N 3.12Å; M463-R466 PolarHBondContact O-N 2.71Å; R466-K470 WeakPolarHBondContact O-CG 3.45Å; R466-K470 PolarHBondContact O-N 3Å
467L91.1Very high92.1Very high42 Ų4248.2 Ų48.222%0.2224%0.237CC..Hα-helixtrans-68.7-42.1177.2-175.161.1000111.4I134 M463 I464 D465 K470I134-L467 HydrophobicContact CB-CD1 3.82Å; I134-L467 HydrophobicContact CB-CD2 4.42Å; I134-L467 HydrophobicContact CB-CG 3.85Å; I134-L467 HydrophobicContact CD1-CG 4.2Å; I134-L467 WeakPolarHBondContact CD1-O 3.29Å; I134-L467 HydrophobicContact CG1-CG 4.39Å; I134-L467 HydrophobicContact CG2-CD1 4.24Å; I134-L467 WeakPolarHBondContact O-CD1 3.46Å; M463-L467 VanDerWaalsContact O-CB 3.3Å; M463-L467 WeakPolarHBondContact O-CB 3.29Å; M463-L467 PolarHBondContact O-N 3.14Å; I464-L467 HydrophobicContact CD1-CD2 4.41Å; I464-L467 PolarHBondContact O-N 2.95Å; D465-L467 VanDerWaalsContact C-N 3.27Å; D465-L467 PolarHBondContact O-N 3.19Å; L467-K470 WeakPolarHBondContact O-CB 3.44Å; L467-K470 PolarHBondContact O-N 2.82Å
468V93.4Very high91.6Very high23 Ų2352.1 Ų52.114%0.13926%0.255CS..Hα-helixtrans-65-40.7175.2168.70000111.2W121 I134 L259 I464 D465 K470 L471W121-V468 HydrophobicContact CH2-CG2 3.8Å; W121-V468 HydrophobicContact CZ3-CG2 4.21Å; I134-V468 HydrophobicContact CD1-CB 4.5Å; I134-V468 HydrophobicContact CD1-CG2 4.11Å; L259-V468 HydrophobicContact CD2-CG1 3.83Å; L259-V468 HydrophobicContact CD2-CG2 4.49Å; I464-V468 HydrophobicContact CG2-CG2 4.24Å; I464-V468 WeakPolarHBondContact O-CB 3.34Å; I464-V468 WeakPolarHBondContact O-CG2 3.39Å; I464-V468 PolarHBondContact O-N 2.89Å; D465-V468 PolarHBondContact O-N 2.74Å; V468-K470 PolarHBondContact O-N 3.28Å; V468-L471 WeakPolarHBondContact O-CB 3.36Å; V468-L471 PolarHBondContact O-N 3.05Å
469E92.5Very high91Very high136 Ų13651.3 Ų51.364%0.63626%0.261SS*.Hα-helixtrans-61-27176.5-74.2170.8-178.700113.6D465 L471 C473D465-E469 WeakPolarHBondContact O-CG 3.37Å; D465-E469 PolarHBondContact O-N 2.77Å; E469-L471 PolarHBondContact O-N 2.81Å; E469-C473 PolarHBondContact O-SG 3.21Å
470K91.6Very high90.7Very high76 Ų7651.6 Ų51.633%0.3326%0.262SS..THydrogen-bonded Turntrans-72.4-16.8176.6-74.2172.8179.1-1770113.1Y144 R466 L467 V468 G472 C473Y144-K470 WeakPolarHBondContact CB-O 3.46Å; Y144-K470 HydrophobicContact CD1-CB 4.36Å; Y144-K470 HydrophobicContact CD2-CB 3.9Å; Y144-K470 WeakPolarHBondContact CD2-O 3.26Å; Y144-K470 HydrophobicContact CE1-CB 4.49Å; Y144-K470 HydrophobicContact CE1-CD 4.23Å; Y144-K470 HydrophobicContact CE2-CB 4.03Å; Y144-K470 HydrophobicContact CE2-CD 4.1Å; Y144-K470 HydrophobicContact CE2-CG 4.23Å; Y144-K470 HydrophobicContact CG-CB 4.07Å; R466-K470 WeakPolarHBondContact O-CG 3.45Å; R466-K470 PolarHBondContact O-N 3Å; L467-K470 WeakPolarHBondContact O-CB 3.44Å; L467-K470 PolarHBondContact O-N 2.82Å; V468-K470 PolarHBondContact O-N 3.28Å; K470-G472 PolarHBondContact O-N 3.2Å; K470-C473 WeakPolarHBondContact O-CB 3.41Å; K470-C473 PolarHBondContact O-N 3.48Å
471L92Very high90.2Very high22 Ų2252.1 Ų52.112%0.11527%0.268CS..THydrogen-bonded Turntrans-59.6123.4-174.5-169.960.5000111.1I134 L146 L259 Y262 V468 E469 C473I134-L471 HydrophobicContact CD1-CB 4.41Å; I134-L471 HydrophobicContact CD1-CD1 4.47Å; I134-L471 HydrophobicContact CG1-CD1 4.36Å; I134-L471 HydrophobicContact CG2-CB 4.49Å; I134-L471 HydrophobicContact CG2-CD1 4.08Å; L146-L471 HydrophobicContact CB-CD1 4.09Å; L259-L471 HydrophobicContact CD2-CD2 3.84Å; Y262-L471 HydrophobicContact CD1-CD2 3.5Å; Y262-L471 VanDerWaalsContact CD1-CD2 3.5Å; Y262-L471 HydrophobicContact CD1-CG 4.29Å; Y262-L471 HydrophobicContact CD2-CD2 3.56Å; Y262-L471 HydrophobicContact CD2-CG 3.72Å; Y262-L471 HydrophobicContact CE1-CD1 4.12Å; Y262-L471 HydrophobicContact CE1-CD2 3.7Å; Y262-L471 HydrophobicContact CE1-CG 4.09Å; Y262-L471 HydrophobicContact CE2-CD1 4Å; Y262-L471 HydrophobicContact CE2-CD2 3.76Å; Y262-L471 HydrophobicContact CE2-CG 3.49Å; Y262-L471 VanDerWaalsContact CE2-CG 3.49Å; Y262-L471 HydrophobicContact CG-CD2 3.41Å; Y262-L471 VanDerWaalsContact CG-CD2 3.41Å; Y262-L471 HydrophobicContact CG-CG 4.1Å; V468-L471 WeakPolarHBondContact O-CB 3.36Å; V468-L471 PolarHBondContact O-N 3.05Å; E469-L471 PolarHBondContact O-N 2.81Å; L471-C473 PolarHBondContact O-N 3.41Å
472G89.7Confident89.9Confident46 Ų4649.2 Ų49.247%0.47426%0.256SS..THydrogen-bonded Turntrans78.3-8.8-174.200000115.4Y144 K470Y144-G472 PolarHBondContact O-N 3.25Å; Y144-G472 VanDerWaalsContact O-N 3.08Å; K470-G472 PolarHBondContact O-N 3.2Å
473C92.2Very high89.8Confident62 Ų6248.8 Ų48.842%0.41926%0.255SS..SBendtrans-74.2166.8172.6-59.70000111.8Y143 Y144 E469 K470 L471Y143-C473 WeakPolarHBondContact CA-O 3.38Å; Y144-C473 PolarHBondContact N-O 2.93Å; E469-C473 PolarHBondContact O-SG 3.21Å; K470-C473 WeakPolarHBondContact O-CB 3.41Å; K470-C473 PolarHBondContact O-N 3.48Å; L471-C473 PolarHBondContact O-N 3.41Å
474K93.6Very high90Very high138 Ų13847.8 Ų47.860%0.625%0.249SC*.BIsolated β-bridgetrans-65138.1173.5-70.3-174.2178.1-178.10110.9S142 Y143 Y144S142-K474 CarbonylContact O-C 3.49Å; S142-K474 VanDerWaalsContact O-CA 3.31Å; S142-K474 WeakPolarHBondContact O-CA 3.36Å; Y143-K474 HydrophobicContact CD1-CG 4.3Å; Y143-K474 HydrophobicContact CE1-CG 3.9Å; Y144-K474 WeakPolarHBondContact CE2-O 3.14Å
475F90.7Very high90.1Very high25 Ų2547.7 Ų47.711%0.1125%0.25CC..PPolyproline II helixtrans-92.4130.4172.5179.3-96.5000110A136 S141 S142 Y144 R477 I494 K495A136-F475 HydrophobicContact CB-CB 3.9Å; A136-F475 HydrophobicContact CB-CD1 3.58Å; A136-F475 HydrophobicContact CB-CD2 3.47Å; A136-F475 VanDerWaalsContact CB-CD2 3.47Å; A136-F475 HydrophobicContact CB-CE1 3.84Å; A136-F475 HydrophobicContact CB-CE2 3.79Å; A136-F475 HydrophobicContact CB-CG 3.37Å; A136-F475 HydrophobicContact CB-CZ 3.95Å; S141-F475 WeakPolarHBondContact O-CB 3.46Å; S141-F475 WeakPolarHBondContact O-CD1 3.49Å; S142-F475 PolarHBondContact O-N 2.78Å; Y144-F475 HydrophobicContact CD1-CD2 4.13Å; Y144-F475 HydrophobicContact CD2-CB 4.19Å; Y144-F475 HydrophobicContact CD2-CD2 4.36Å; Y144-F475 AromaticContact CE1-CD2 3.56Å; Y144-F475 HydrophobicContact CE1-CD2 3.56Å; Y144-F475 HydrophobicContact CE1-CE2 4.01Å; Y144-F475 HydrophobicContact CE2-CB 4.09Å; Y144-F475 AromaticContact CE2-CD2 3.82Å; Y144-F475 HydrophobicContact CE2-CD2 3.82Å; Y144-F475 HydrophobicContact CE2-CG 4.43Å; Y144-F475 AromaticContact CZ-CD2 3.37Å; F475-R477 HydrophobicContact CD1-CG 4.08Å; F475-R477 HydrophobicContact CE1-CG 3.96Å; F475-I494 HydrophobicContact CE1-CG2 4.09Å; F475-I494 HydrophobicContact CZ-CG2 4.22Å; F475-K495 HydrophobicContact CE1-CG 3.7Å; F475-K495 HydrophobicContact CZ-CD 4.21Å; F475-K495 HydrophobicContact CZ-CG 3.6Å
476H85.3Confident90.1Very high125 Ų12546.8 Ų46.858%0.57925%0.246SC*.PPolyproline II helixtrans-104121.7178.6-66.3-77.1000109.8E478H476-E478 VanDerWaalsContact C-N 3.29Å; H476-E478 PolarHBondContact O-N 3.1Å
477R82.8Confident90.2Very high54 Ų5444.1 Ų44.120%0.20424%0.236CC..THydrogen-bonded Turntrans-77.5-18.5-174.3-69.3177.651.8-162.1-7.5112.6F475 G479 K495 K544 H545F475-R477 HydrophobicContact CD1-CG 4.08Å; F475-R477 HydrophobicContact CE1-CG 3.96Å; R477-G479 PolarHBondContact O-N 2.87Å; R477-K495 HydrophobicContact CB-CB 4.3Å; R477-K495 PolarHBondContact NE-O 3.05Å; R477-K495 PolarHBondContact NH2-O 3.39Å; R477-K495 WeakPolarHBondContact O-CD 3.37Å; R477-K544 PolarHBondContact NH1-O 3Å; R477-K544 PolarHBondContact NH2-O 3.36Å; R477-H545 PolarHBondContact NE-O 3.19Å; R477-H545 VanDerWaalsContact NH1-CA 3.32Å; R477-H545 PolarHBondContact NH1-O 3.03Å
478E81.9Confident90.4Very high105 Ų10545.3 Ų45.349%0.49124%0.242SC..THydrogen-bonded Turntrans-80.1-1.9-175.7-51.780.1-174.600113.3Y408 H476Y408-E478 HydrophobicContact CE1-CB 3.95Å; Y408-E478 HydrophobicContact CE1-CG 4.34Å; Y408-E478 HydrophobicContact CE2-CG 4.21Å; H476-E478 VanDerWaalsContact C-N 3.29Å; H476-E478 PolarHBondContact O-N 3.1Å
479G82.4Confident90.5Very high31 Ų3144.5 Ų44.532%0.3224%0.238SC..  trans-69.1133.3-177.100000113R477 K495R477-G479 PolarHBondContact O-N 2.87Å; G479-K495 PolarHBondContact O-NZ 2.93Å
480F89.2Confident90.5Very high5 Ų538.6 Ų38.62%0.02221%0.21CC..  trans-64.7-48.1-176.7-158.5-92.1000113.5Y352 G412 P414 G482 P484 W490 V499 P501Y352-F480 HydrophobicContact CE1-CB 4.29Å; Y352-F480 HydrophobicContact CE1-CD1 4.43Å; G412-F480 WeakPolarHBondContact O-CZ 3.35Å; P414-F480 HydrophobicContact CB-CB 4.12Å; P414-F480 HydrophobicContact CB-CD2 4.35Å; P414-F480 HydrophobicContact CB-CG 4.45Å; P414-F480 HydrophobicContact CG-CB 3.92Å; P414-F480 HydrophobicContact CG-CD2 4.28Å; P414-F480 HydrophobicContact CG-CG 4.07Å; F480-G482 WeakPolarHBondContact CD1-O 3.45Å; F480-P484 HydrophobicContact CE1-CG 4.37Å; F480-W490 HydrophobicContact CD1-CZ2 4.28Å; F480-W490 HydrophobicContact CE1-CH2 4.31Å; F480-W490 HydrophobicContact CE1-CZ2 4.34Å; F480-W490 WeakPolarHBondContact O-CZ2 3.45Å; F480-W490 PolarHBondContact O-NE1 3.33Å; F480-V499 HydrophobicContact CD1-CG1 3.99Å; F480-V499 HydrophobicContact CD2-CG1 3.9Å; F480-V499 HydrophobicContact CE1-CG1 3.8Å; F480-V499 HydrophobicContact CE2-CG1 3.67Å; F480-V499 HydrophobicContact CG-CG1 4.06Å; F480-V499 HydrophobicContact CZ-CG1 3.63Å; F480-P501 HydrophobicContact CE1-CG 4.31Å; F480-P501 HydrophobicContact CZ-CB 4.48Å; F480-P501 HydrophobicContact CZ-CG 4.45Å
481G84.3Confident90.7Very high13 Ų1336.3 Ų36.313%0.13420%0.2CC..  trans84.313.9169.200000116.6N344 E348 Y352N344-G481 PolarHBondContact N-O 2.91Å; E348-G481 WeakPolarHBondContact OE1-CA 3.26Å; Y352-G481 PolarHBondContact OH-N 3.45Å
482G87.9Confident90.8Very high1 Ų136.7 Ų36.71%0.0120%0.204CC..SBendtrans-177.1176.9179.900000112.7E348 Y352 F480E348-G482 PolarHBondContact OE1-N 3.05Å; Y352-G482 VanDerWaalsContact CE1-O 3.3Å; Y352-G482 WeakPolarHBondContact CE1-O 3.49Å; F480-G482 WeakPolarHBondContact CD1-O 3.45Å
483S93.8Very high90.9Very high1 Ų136.7 Ų36.71%0.00719%0.191CC..  trans-73.3136.6177.4-171.60000112T340 A351 A485 T486T340-S483 WeakPolarHBondContact O-CB 3.41Å; A351-S483 WeakPolarHBondContact O-CB 3.42Å; A351-S483 PolarHBondContact O-OG 2.9Å; S483-A485 PolarHBondContact O-N 3.19Å; S483-A485 VanDerWaalsContact O-N 3.15Å; S483-A485 WeakPolarHBondContact OG-CB 3.34Å; S483-A485 PolarHBondContact OG-N 3.05Å; S483-T486 VanDerWaalsContact O-CB 3.32Å; S483-T486 WeakPolarHBondContact O-CB 3.38Å; S483-T486 PolarHBondContact O-N 3.18Å; S483-T486 VanDerWaalsContact O-N 3.09Å; S483-T486 PolarHBondContact O-OG1 2.95Å
484P95.4Very high90.9Very high0 Ų034.3 Ų34.30%017%0.174CC..THydrogen-bonded Turntrans-52.6-24.6161.2-28.735.3000114.2V359 G412 I417 F480 T486 P501 A502 A503V359-P484 HydrophobicContact CG2-CB 3.83Å; G412-P484 WeakPolarHBondContact O-CB 3.39Å; I417-P484 HydrophobicContact CD1-CG 3.8Å; F480-P484 HydrophobicContact CE1-CG 4.37Å; P484-T486 VanDerWaalsContact C-N 3.29Å; P484-T486 PolarHBondContact O-N 3.24Å; P484-P501 WeakPolarHBondContact O-CB 3.45Å; P484-A502 PolarHBondContact O-N 3.49Å; P484-A502 VanDerWaalsContact O-N 3.1Å; P484-A503 PolarHBondContact O-N 3.1Å
485A96Very high90.9Very high5 Ų529.3 Ų29.34%0.04115%0.153CC..THydrogen-bonded Turntrans-86.68.8179.400000113.7I47 T340 F358 S483 A503I47-A485 HydrophobicContact CD1-CB 3.84Å; T340-A485 HydrophobicContact CG2-CB 4.31Å; F358-A485 HydrophobicContact CB-CB 4.05Å; F358-A485 HydrophobicContact CG-CB 4.27Å; S483-A485 PolarHBondContact O-N 3.19Å; S483-A485 VanDerWaalsContact O-N 3.15Å; S483-A485 WeakPolarHBondContact OG-CB 3.34Å; S483-A485 PolarHBondContact OG-N 3.05Å; A485-A503 WeakPolarHBondContact O-CB 3.21Å
486T94.5Very high91.1Very high14 Ų1428.1 Ų28.19%0.08615%0.147CC..  trans-85.4124.5177.6-64.60000111.5P343 S483 P484 N488 W490 P501P343-T486 HydrophobicContact CG-CG2 4.07Å; S483-T486 VanDerWaalsContact O-CB 3.32Å; S483-T486 WeakPolarHBondContact O-CB 3.38Å; S483-T486 PolarHBondContact O-N 3.18Å; S483-T486 VanDerWaalsContact O-N 3.09Å; S483-T486 PolarHBondContact O-OG1 2.95Å; P484-T486 VanDerWaalsContact C-N 3.29Å; P484-T486 PolarHBondContact O-N 3.24Å; T486-N488 VanDerWaalsContact C-N 3.32Å; T486-N488 HydrophobicContact CG2-CB 3.85Å; T486-N488 PolarHBondContact O-N 3.45Å; T486-W490 HydrophobicContact CG2-CZ3 4.31Å; T486-P501 VanDerWaalsContact O-CB 3.25Å; T486-P501 WeakPolarHBondContact O-CB 3.29Å
487V94.9Very high91.6Very high3 Ų322.2 Ų22.22%0.01812%0.12CC..SBendtrans-82.881170.4-173.10000109.3F36 V39 R40 V43 A503 F509F36-V487 HydrophobicContact CD1-CG1 4.41Å; V39-V487 HydrophobicContact CB-CG1 3.95Å; V39-V487 HydrophobicContact CB-CG2 4.41Å; V39-V487 HydrophobicContact CG1-CB 4.49Å; V39-V487 HydrophobicContact CG1-CG1 3.8Å; V39-V487 HydrophobicContact CG1-CG2 3.8Å; R40-V487 HydrophobicContact CB-CB 4.41Å; R40-V487 HydrophobicContact CB-CG2 4.24Å; V43-V487 HydrophobicContact CB-CG2 4.34Å; V43-V487 HydrophobicContact CG2-CG2 3.86Å; V487-A503 HydrophobicContact CG2-CB 3.98Å; V487-F509 HydrophobicContact CG1-CE2 4.33Å
488N93.9Very high92.2Very high66 Ų6619.6 Ų19.635%0.35311%0.111SC..  trans-163177.7172.4-152.1-1.1000109.8T486 P501 I504T486-N488 VanDerWaalsContact C-N 3.32Å; T486-N488 HydrophobicContact CG2-CB 3.85Å; T486-N488 PolarHBondContact O-N 3.45Å; N488-P501 VanDerWaalsContact O-CD 3.26Å; N488-P501 WeakPolarHBondContact O-CD 3.3Å; N488-I504 VanDerWaalsContact C-CD1 3.49Å; N488-I504 VanDerWaalsContact O-CG2 3.28Å; N488-I504 WeakPolarHBondContact O-CG2 3.48Å
489A95.2Very high92.8Very high6 Ų614.8 Ų14.85%0.059%0.088CC..  trans-132.8164.7162.600000108.8F500 I504 V526 E530A489-F500 HydrophobicContact CB-CD1 3.7Å; A489-F500 HydrophobicContact CB-CE1 3.92Å; A489-I504 HydrophobicContact CB-CD1 4.38Å; A489-V526 HydrophobicContact CB-CG1 3.84Å; A489-E530 HydrophobicContact CB-CG 3.89Å; A489-E530 WeakPolarHBondContact CB-OE1 3.27Å
490W94.1Very high93.5Very high13 Ų1313.3 Ų13.35%0.0497%0.073CC..EExtended strand (participates in β ladder)trans-156.8151.5173.75789.9000113.6P343 F480 T486 I498 V499 P501 E530P343-W490 HydrophobicContact CB-CE3 4.18Å; P343-W490 HydrophobicContact CB-CH2 4.17Å; P343-W490 HydrophobicContact CB-CZ3 3.91Å; F480-W490 HydrophobicContact CD1-CZ2 4.28Å; F480-W490 HydrophobicContact CE1-CH2 4.31Å; F480-W490 HydrophobicContact CE1-CZ2 4.34Å; F480-W490 WeakPolarHBondContact O-CZ2 3.45Å; F480-W490 PolarHBondContact O-NE1 3.33Å; T486-W490 HydrophobicContact CG2-CZ3 4.31Å; W490-I498 WeakPolarHBondContact O-CA 3.43Å; W490-V499 HydrophobicContact CD2-CB 4.14Å; W490-V499 HydrophobicContact CG-CB 4.36Å; W490-V499 HydrophobicContact CH2-CG1 4.15Å; W490-V499 HydrophobicContact CZ2-CB 3.92Å; W490-V499 HydrophobicContact CZ2-CG1 3.5Å; W490-V499 VanDerWaalsContact CZ2-CG1 3.5Å; W490-V499 PolarHBondContact N-O 2.99Å; W490-V499 PolarHBondContact O-N 3.22Å; W490-P501 HydrophobicContact CE3-CG 4.38Å; W490-P501 HydrophobicContact CH2-CG 3.41Å; W490-P501 VanDerWaalsContact CH2-CG 3.41Å; W490-P501 HydrophobicContact CZ2-CG 4.44Å; W490-P501 HydrophobicContact CZ3-CG 3.37Å; W490-E530 WeakPolarHBondContact CA-OE2 3.43Å
491Y95.1Very high93.8Very high28 Ų2813 Ų1311%0.117%0.072CC..EExtended strand (participates in β ladder)trans-106.2140.1163.7171.5-101.2000111H493 N496 S497 I498 E530 H533 A534Y491-H493 HydrophobicContact CE1-CB 3.67Å; Y491-N496 PolarHBondContact OH-OD1 3.38Å; Y491-N496 VanDerWaalsContact OH-OD1 3.07Å; Y491-S497 CarbonylContact C-O 2.93Å; Y491-S497 VanDerWaalsContact CA-O 3.3Å; Y491-S497 WeakPolarHBondContact CA-O 3.29Å; Y491-S497 VanDerWaalsContact CD2-O 3.28Å; Y491-S497 WeakPolarHBondContact CD2-O 3.12Å; Y491-I498 HydrophobicContact CD2-CG2 3.85Å; Y491-E530 PolarHBondContact N-OE2 3.16Å; Y491-H533 HydrophobicContact CD1-CB 3.55Å; Y491-H533 HydrophobicContact CE1-CB 4.4Å; Y491-H533 WeakPolarHBondContact CE1-O 3.4Å; Y491-H533 HydrophobicContact CG-CB 3.78Å; Y491-A534 HydrophobicContact CD2-CB 4.44Å; Y491-A534 HydrophobicContact CE1-CB 4.21Å; Y491-A534 HydrophobicContact CE2-CB 3.66Å; Y491-A534 WeakPolarHBondContact OH-CA 3.29Å; Y491-A534 WeakPolarHBondContact OH-CB 3.34Å
492S93.5Very high94.4Very high30 Ų3012.4 Ų12.421%0.217%0.065CC..EExtended strand (participates in β ladder)trans-114.5113.3171.11780000110.5I494 K495 N496 S497S492-I494 VanDerWaalsContact C-N 3.31Å; S492-I494 PolarHBondContact O-N 2.93Å; S492-K495 CarbonylContact O-C 3.58Å; S492-K495 PolarHBondContact O-N 3.21Å; S492-K495 VanDerWaalsContact O-N 3.12Å; S492-N496 WeakPolarHBondContact O-CA 3.28Å; S492-N496 PolarHBondContact O-N 3.24Å; S492-S497 PolarHBondContact N-O 3.17Å; S492-S497 PolarHBondContact O-N 3.45Å
493H93.1Very high94.8Very high45 Ų4512.4 Ų12.421%0.2087%0.065CC..THydrogen-bonded Turntrans-63.6-33.4179.856.677.1000113.5Y491 K495 N496 Y542 G546Y491-H493 HydrophobicContact CE1-CB 3.67Å; H493-K495 VanDerWaalsContact C-N 3.31Å; H493-N496 PolarHBondContact O-N 3.27Å; H493-Y542 HydrophobicContact CB-CD1 4.36Å; H493-Y542 HydrophobicContact CB-CD2 3.79Å; H493-Y542 HydrophobicContact CB-CE2 4.13Å; H493-Y542 HydrophobicContact CB-CG 3.93Å; H493-Y542 AromaticContact CE1-CE2 3.85Å; H493-Y542 AromaticContact CE1-CZ 3.44Å; H493-Y542 VanDerWaalsContact CE1-CZ 3.44Å; H493-Y542 PolarHBondContact CE1-OH 3.13Å; H493-Y542 AromaticContact CG-CD2 3.94Å; H493-Y542 AromaticContact CG-CE2 3.74Å; H493-Y542 AromaticContact CG-CZ 3.92Å; H493-Y542 AromaticContact ND1-CD1 3.82Å; H493-Y542 AromaticContact ND1-CD2 3.8Å; H493-Y542 AromaticContact ND1-CE1 3.29Å; H493-Y542 VanDerWaalsContact ND1-CE1 3.29Å; H493-Y542 WeakPolarHBondContact ND1-CE1 3.47Å; H493-Y542 AromaticContact ND1-CE2 3.29Å; H493-Y542 VanDerWaalsContact ND1-CE2 3.29Å; H493-Y542 WeakPolarHBondContact ND1-CE2 3.11Å; H493-Y542 AromaticContact ND1-CZ 2.99Å; H493-Y542 PolarHBondContact ND1-OH 3.22Å; H493-G546 VanDerWaalsContact O-CA 3.27Å; H493-G546 WeakPolarHBondContact O-CA 3.4Å
494I92.1Very high94.9Very high12 Ų1212.4 Ų12.46%0.0627%0.065CC..THydrogen-bonded Turntrans-71.8-27.3176.7-55.5-176.7000111.6M135 A136 K138 F475 S492 Y542 G546M135-I494 HydrophobicContact SD-CD1 4.15Å; A136-I494 HydrophobicContact CB-CG2 3.32Å; K138-I494 HydrophobicContact CG-CD1 3.99Å; K138-I494 HydrophobicContact CG-CG1 4.38Å; F475-I494 HydrophobicContact CE1-CG2 4.09Å; F475-I494 HydrophobicContact CZ-CG2 4.22Å; S492-I494 VanDerWaalsContact C-N 3.31Å; S492-I494 PolarHBondContact O-N 2.93Å; I494-Y542 HydrophobicContact CG1-CE1 4.24Å; I494-G546 WeakPolarHBondContact O-CA 3.35Å
495K92.9Very high95Very high33 Ų3312.8 Ų12.814%0.1437%0.067CC..THydrogen-bonded Turntrans-94.7-14.8176.6-62.5176.8172.7176.40112.8F475 R477 G479 S492 H493 S497F475-K495 HydrophobicContact CE1-CG 3.7Å; F475-K495 HydrophobicContact CZ-CD 4.21Å; F475-K495 HydrophobicContact CZ-CG 3.6Å; R477-K495 HydrophobicContact CB-CB 4.3Å; R477-K495 PolarHBondContact NE-O 3.05Å; R477-K495 PolarHBondContact NH2-O 3.39Å; R477-K495 WeakPolarHBondContact O-CD 3.37Å; G479-K495 PolarHBondContact O-NZ 2.93Å; S492-K495 CarbonylContact O-C 3.58Å; S492-K495 PolarHBondContact O-N 3.21Å; S492-K495 VanDerWaalsContact O-N 3.12Å; H493-K495 VanDerWaalsContact C-N 3.31Å; K495-S497 PolarHBondContact O-N 3.49Å
496N95.6Very high94.8Very high0 Ų014 Ų140%07%0.072CC..THydrogen-bonded Turntrans39.358.5-161-171.252.3000110K403 A406 I407 Y408 Y491 S492 H493K403-N496 WeakPolarHBondContact CE-OD1 3.3Å; K403-N496 PolarHBondContact O-ND2 3.27Å; A406-N496 PolarHBondContact O-ND2 3.36Å; I407-N496 WeakPolarHBondContact CA-O 3.26Å; I407-N496 PolarHBondContact N-ND2 2.9Å; Y408-N496 PolarHBondContact N-O 3.3Å; Y491-N496 PolarHBondContact OH-OD1 3.38Å; Y491-N496 VanDerWaalsContact OH-OD1 3.07Å; S492-N496 WeakPolarHBondContact O-CA 3.28Å; S492-N496 PolarHBondContact O-N 3.24Å; H493-N496 PolarHBondContact O-N 3.27Å
497S94.9Very high94.7Very high1 Ų116.3 Ų16.31%0.0079%0.087CC..EExtended strand (participates in β ladder)trans-138.9140.4-172.4179.50000111.5Y408 Y491 S492 K495Y408-S497 CarbonylContact O-C 3.59Å; Y408-S497 WeakPolarHBondContact O-CA 3.4Å; Y408-S497 WeakPolarHBondContact O-CB 3.15Å; Y408-S497 PolarHBondContact O-OG 2.97Å; Y491-S497 CarbonylContact C-O 2.93Å; Y491-S497 VanDerWaalsContact CA-O 3.3Å; Y491-S497 WeakPolarHBondContact CA-O 3.29Å; Y491-S497 VanDerWaalsContact CD2-O 3.28Å; Y491-S497 WeakPolarHBondContact CD2-O 3.12Å; S492-S497 PolarHBondContact N-O 3.17Å; S492-S497 PolarHBondContact O-N 3.45Å; K495-S497 PolarHBondContact O-N 3.49Å
498I95.7Very high94.5Very high0 Ų018.2 Ų18.20%010%0.099CC..EExtended strand (participates in β ladder)trans-107.3138.5172.861.1-175.5000109.7I375 I407 Y408 S409 S410 W490 Y491 F500 E530 I531I375-I498 HydrophobicContact CD1-CD1 4.47Å; I375-I498 HydrophobicContact CG2-CD1 4.33Å; I407-I498 HydrophobicContact CG2-CB 4.41Å; I407-I498 HydrophobicContact CG2-CD1 3.94Å; I407-I498 HydrophobicContact CG2-CG1 3.87Å; I407-I498 HydrophobicContact CG2-CG2 3.91Å; Y408-I498 PolarHBondContact O-N 3.16Å; S409-I498 WeakPolarHBondContact CA-O 3.4Å; S410-I498 PolarHBondContact N-O 2.89Å; W490-I498 WeakPolarHBondContact O-CA 3.43Å; Y491-I498 HydrophobicContact CD2-CG2 3.85Å; I498-F500 HydrophobicContact CB-CE2 4.05Å; I498-F500 HydrophobicContact CB-CZ 4.16Å; I498-F500 HydrophobicContact CD1-CE2 3.7Å; I498-F500 HydrophobicContact CD1-CZ 4.08Å; I498-F500 HydrophobicContact CG1-CE2 3.79Å; I498-F500 HydrophobicContact CG1-CZ 4.3Å; I498-E530 HydrophobicContact CB-CB 4.15Å; I498-E530 HydrophobicContact CG2-CB 3.71Å; I498-I531 HydrophobicContact CD1-CG1 4.13Å
499V95.1Very high94.5Very high3 Ų315 Ų152%0.0188%0.082CC..EExtended strand (participates in β ladder)trans-130.5128.6-177.3-1740000110.6S410 F480 W490S410-V499 WeakPolarHBondContact O-CA 3.45Å; F480-V499 HydrophobicContact CD1-CG1 3.99Å; F480-V499 HydrophobicContact CD2-CG1 3.9Å; F480-V499 HydrophobicContact CE1-CG1 3.8Å; F480-V499 HydrophobicContact CE2-CG1 3.67Å; F480-V499 HydrophobicContact CG-CG1 4.06Å; F480-V499 HydrophobicContact CZ-CG1 3.63Å; W490-V499 HydrophobicContact CD2-CB 4.14Å; W490-V499 HydrophobicContact CG-CB 4.36Å; W490-V499 HydrophobicContact CH2-CG1 4.15Å; W490-V499 HydrophobicContact CZ2-CB 3.92Å; W490-V499 HydrophobicContact CZ2-CG1 3.5Å; W490-V499 VanDerWaalsContact CZ2-CG1 3.5Å; W490-V499 PolarHBondContact N-O 2.99Å; W490-V499 PolarHBondContact O-N 3.22Å
500F96.4Very high94.6Very high0 Ų014.8 Ų14.80%08%0.08CC..EExtended strand (participates in β ladder)trans-123.592.5178-54.5-74000110I375 S410 G412 A489 I498 L505 M523 V526 I527 E530I375-F500 HydrophobicContact CD1-CD2 4.1Å; I375-F500 HydrophobicContact CD1-CE2 3.84Å; I375-F500 HydrophobicContact CG1-CE2 4.29Å; S410-F500 PolarHBondContact O-N 3.23Å; G412-F500 PolarHBondContact N-O 3.28Å; A489-F500 HydrophobicContact CB-CD1 3.7Å; A489-F500 HydrophobicContact CB-CE1 3.92Å; I498-F500 HydrophobicContact CB-CE2 4.05Å; I498-F500 HydrophobicContact CB-CZ 4.16Å; I498-F500 HydrophobicContact CD1-CE2 3.7Å; I498-F500 HydrophobicContact CD1-CZ 4.08Å; I498-F500 HydrophobicContact CG1-CE2 3.79Å; I498-F500 HydrophobicContact CG1-CZ 4.3Å; F500-L505 HydrophobicContact CB-CD2 4.35Å; F500-M523 HydrophobicContact CD1-CE 3.36Å; F500-M523 HydrophobicContact CE1-CE 3.66Å; F500-M523 HydrophobicContact CG-CE 4.17Å; F500-V526 HydrophobicContact CE1-CG1 4.37Å; F500-I527 HydrophobicContact CD1-CG1 4.48Å; F500-I527 HydrophobicContact CE1-CB 4.41Å; F500-I527 HydrophobicContact CE1-CG1 3.85Å; F500-I527 HydrophobicContact CE2-CG1 4.09Å; F500-I527 HydrophobicContact CZ-CB 4.02Å; F500-I527 HydrophobicContact CZ-CG1 3.65Å; F500-I527 HydrophobicContact CZ-CG2 4.16Å; F500-E530 HydrophobicContact CE1-CB 4.25Å; F500-E530 HydrophobicContact CE1-CG 3.68Å; F500-E530 HydrophobicContact CZ-CB 4.06Å; F500-E530 HydrophobicContact CZ-CG 4.01Å
501P96Very high94.6Very high0 Ų018.1 Ų18.10%010%0.096CC..EExtended strand (participates in β ladder)trans-53.2149.1174-25.733.8000114.2F480 P484 T486 N488 W490 A503 I504F480-P501 HydrophobicContact CE1-CG 4.31Å; F480-P501 HydrophobicContact CZ-CB 4.48Å; F480-P501 HydrophobicContact CZ-CG 4.45Å; P484-P501 WeakPolarHBondContact O-CB 3.45Å; T486-P501 VanDerWaalsContact O-CB 3.25Å; T486-P501 WeakPolarHBondContact O-CB 3.29Å; N488-P501 VanDerWaalsContact O-CD 3.26Å; N488-P501 WeakPolarHBondContact O-CD 3.3Å; W490-P501 HydrophobicContact CE3-CG 4.38Å; W490-P501 HydrophobicContact CH2-CG 3.41Å; W490-P501 VanDerWaalsContact CH2-CG 3.41Å; W490-P501 HydrophobicContact CZ2-CG 4.44Å; W490-P501 HydrophobicContact CZ3-CG 3.37Å; P501-A503 PolarHBondContact O-N 3.19Å; P501-A503 VanDerWaalsContact O-N 3.11Å; P501-I504 VanDerWaalsContact O-CG2 3.26Å; P501-I504 WeakPolarHBondContact O-CG2 3.3Å; P501-I504 PolarHBondContact O-N 3.17Å
502A97.1Very high94.4Very high0 Ų018.1 Ų18.10%010%0.1CC..THydrogen-bonded Turntrans-53.4-35.3177.600000112.9F358 V359 F363 G412 P484 I504 L505F358-A502 HydrophobicContact CD1-CB 4.26Å; F358-A502 HydrophobicContact CE1-CB 4.08Å; V359-A502 HydrophobicContact CG2-CB 3.83Å; F363-A502 HydrophobicContact CB-CB 3.98Å; F363-A502 HydrophobicContact CD2-CB 3.64Å; F363-A502 HydrophobicContact CE2-CB 4.29Å; F363-A502 HydrophobicContact CG-CB 3.78Å; G412-A502 PolarHBondContact O-N 2.92Å; P484-A502 PolarHBondContact O-N 3.49Å; P484-A502 VanDerWaalsContact O-N 3.1Å; A502-I504 PolarHBondContact O-N 3.22Å; A502-L505 PolarHBondContact O-N 3.27Å
503A96.5Very high94.4Very high0 Ų021.1 Ų21.10%012%0.121CC..THydrogen-bonded Turntrans-71.3-24.5-176.400000115.4V43 F358 P484 A485 V487 P501 L505V43-A503 HydrophobicContact CG1-CB 4.17Å; V43-A503 HydrophobicContact CG2-CB 4Å; F358-A503 HydrophobicContact CD1-CB 4.5Å; F358-A503 HydrophobicContact CE1-CB 3.77Å; F358-A503 HydrophobicContact CZ-CB 3.88Å; P484-A503 PolarHBondContact O-N 3.1Å; A485-A503 WeakPolarHBondContact O-CB 3.21Å; V487-A503 HydrophobicContact CG2-CB 3.98Å; P501-A503 PolarHBondContact O-N 3.19Å; P501-A503 VanDerWaalsContact O-N 3.11Å; A503-L505 VanDerWaalsContact C-N 3.34Å
504I95.8Very high94.5Very high1 Ų122 Ų221%0.00513%0.125CC..THydrogen-bonded Turntrans-79.9-20.7171.5-167.2162.9000111.9F36 N488 A489 P501 A502 Q506 F509 V526F36-I504 HydrophobicContact CE1-CD1 4.23Å; N488-I504 VanDerWaalsContact C-CD1 3.49Å; N488-I504 VanDerWaalsContact O-CG2 3.28Å; N488-I504 WeakPolarHBondContact O-CG2 3.48Å; A489-I504 HydrophobicContact CB-CD1 4.38Å; P501-I504 VanDerWaalsContact O-CG2 3.26Å; P501-I504 WeakPolarHBondContact O-CG2 3.3Å; P501-I504 PolarHBondContact O-N 3.17Å; A502-I504 PolarHBondContact O-N 3.22Å; I504-Q506 PolarHBondContact O-N 3.05Å; I504-F509 HydrophobicContact CG1-CD1 4.41Å; I504-F509 HydrophobicContact CG1-CD2 4.03Å; I504-F509 HydrophobicContact CG1-CE2 4.33Å; I504-F509 HydrophobicContact CG1-CG 4.09Å; I504-F509 WeakPolarHBondContact O-CB 3.19Å; I504-V526 HydrophobicContact CD1-CG1 4.38Å
505L96.3Very high94.7Very high9 Ų923 Ų235%0.04713%0.131CC..SBendtrans-80.549.8-177.8-57.5178.6000111.7F363 I371 I411 F500 A502 A503 F510 M523F363-L505 HydrophobicContact CE2-CB 4.04Å; F363-L505 HydrophobicContact CE2-CD1 3.48Å; F363-L505 VanDerWaalsContact CE2-CD1 3.48Å; F363-L505 HydrophobicContact CE2-CG 4.37Å; F363-L505 HydrophobicContact CZ-CD1 3.91Å; I371-L505 HydrophobicContact CD1-CD2 3.7Å; I371-L505 HydrophobicContact CG1-CD1 4.12Å; I371-L505 HydrophobicContact CG1-CD2 3.83Å; I411-L505 HydrophobicContact CG2-CD1 3.97Å; F500-L505 HydrophobicContact CB-CD2 4.35Å; A502-L505 PolarHBondContact O-N 3.27Å; A503-L505 VanDerWaalsContact C-N 3.34Å; L505-F510 HydrophobicContact CB-CD1 4.36Å; L505-M523 HydrophobicContact CD2-CE 4.28Å; L505-M523 HydrophobicContact CD2-CG 4.15Å; L505-M523 HydrophobicContact CD2-SD 3.69Å
506Q92.5Very high94.9Very high31 Ų3122.6 Ų22.615%0.14513%0.13CC..SBendtrans-138161.7-176.8-61.3-161.7-16.600111V39 I504 F509 F510V39-Q506 HydrophobicContact CG1-CB 4.42Å; I504-Q506 PolarHBondContact O-N 3.05Å; Q506-F509 WeakPolarHBondContact O-CB 3.35Å; Q506-F509 PolarHBondContact O-N 2.92Å; Q506-F510 CarbonylContact C-O 3.53Å; Q506-F510 VanDerWaalsContact CA-O 3.29Å; Q506-F510 WeakPolarHBondContact CA-O 3.24Å; Q506-F510 PolarHBondContact O-N 2.67Å
507P92.7Very high95Very high61 Ų6122.6 Ų22.640%0.39613%0.13SC..THydrogen-bonded Turntrans-53.8138.7171.7-28.435.8000111.9V39 F510 H511 F514V39-P507 WeakPolarHBondContact CG2-O 3.49Å; P507-F510 VanDerWaalsContact CD-O 3.26Å; P507-F510 WeakPolarHBondContact CD-O 3.38Å; P507-H511 HydrophobicContact CG-CB 4.12Å; P507-F514 HydrophobicContact CB-CE2 4.07Å; P507-F514 HydrophobicContact CB-CZ 3.83Å; P507-F514 HydrophobicContact CG-CE2 4.16Å; P507-F514 HydrophobicContact CG-CZ 3.77Å
508P90.9Very high95Very high43 Ų4323.9 Ų23.928%0.27914%0.136SC..THydrogen-bonded Turncis-90.10.87.436.4-35.2000114.6A35 V39A35-P508 HydrophobicContact CB-CG 4.03Å; V39-P508 VanDerWaalsContact CG2-CD 3.46Å
509F93.7Very high95.1Very high0 Ų023.9 Ų23.90%014%0.136CC..THydrogen-bonded Turntrans-71.7-48.7-177.5-57.3-82000111.6F36 V39 V487 I504 Q506 A522 M523 V526 F640F36-F509 HydrophobicContact CD1-CE1 4.29Å; F36-F509 HydrophobicContact CD1-CE2 4.47Å; F36-F509 AromaticContact CD1-CZ 3.63Å; F36-F509 HydrophobicContact CD1-CZ 3.63Å; F36-F509 HydrophobicContact CD2-CE1 4.45Å; F36-F509 AromaticContact CD2-CZ 3.98Å; F36-F509 HydrophobicContact CD2-CZ 3.98Å; F36-F509 AromaticContact CE1-CE1 3.74Å; F36-F509 HydrophobicContact CE1-CE1 3.74Å; F36-F509 AromaticContact CE1-CZ 3.55Å; F36-F509 HydrophobicContact CE1-CZ 3.55Å; F36-F509 AromaticContact CE2-CE1 3.91Å; F36-F509 HydrophobicContact CE2-CE1 3.91Å; F36-F509 AromaticContact CE2-CZ 3.9Å; F36-F509 HydrophobicContact CE2-CZ 3.9Å; F36-F509 AromaticContact CG-CZ 3.85Å; F36-F509 HydrophobicContact CG-CZ 3.85Å; F36-F509 AromaticContact CZ-CE1 3.53Å; F36-F509 HydrophobicContact CZ-CE1 3.53Å; F36-F509 AromaticContact CZ-CZ 3.7Å; F36-F509 HydrophobicContact CZ-CZ 3.7Å; V39-F509 HydrophobicContact CB-CE2 4.38Å; V39-F509 HydrophobicContact CG2-CD2 4.29Å; V39-F509 HydrophobicContact CG2-CE2 3.91Å; V487-F509 HydrophobicContact CG1-CE2 4.33Å; I504-F509 HydrophobicContact CG1-CD1 4.41Å; I504-F509 HydrophobicContact CG1-CD2 4.03Å; I504-F509 HydrophobicContact CG1-CE2 4.33Å; I504-F509 HydrophobicContact CG1-CG 4.09Å; I504-F509 WeakPolarHBondContact O-CB 3.19Å; Q506-F509 WeakPolarHBondContact O-CB 3.35Å; Q506-F509 PolarHBondContact O-N 2.92Å; F509-A522 WeakPolarHBondContact O-CB 3.46Å; F509-M523 HydrophobicContact CB-SD 4.38Å; F509-M523 VanDerWaalsContact O-CB 3.29Å; F509-M523 WeakPolarHBondContact O-CB 3.43Å; F509-M523 PolarHBondContact O-N 2.87Å; F509-M523 VanDerWaalsContact O-N 3.16Å; F509-V526 HydrophobicContact CD1-CG2 4.39Å; F509-F640 HydrophobicContact CD1-CB 4.08Å; F509-F640 HydrophobicContact CD1-CD2 4.09Å; F509-F640 HydrophobicContact CD1-CG 4.2Å; F509-F640 HydrophobicContact CE1-CB 3.91Å; F509-F640 AromaticContact CE1-CD2 3.59Å; F509-F640 HydrophobicContact CE1-CD2 3.59Å; F509-F640 HydrophobicContact CE1-CE2 4.36Å; F509-F640 HydrophobicContact CE1-CG 4.04Å
510F95.7Very high95.3Very high1 Ų123.8 Ų23.80%0.00414%0.136CC..  trans-149.1142.7-174.1175.1-98.7000112.8D370 I371 L505 Q506 P507 N519 M523D370-F510 HydrophobicContact CB-CE2 3.92Å; D370-F510 HydrophobicContact CB-CZ 3.6Å; I371-F510 HydrophobicContact CD1-CD1 4.41Å; I371-F510 HydrophobicContact CD1-CD2 3.69Å; I371-F510 HydrophobicContact CD1-CE2 3.89Å; I371-F510 HydrophobicContact CD1-CG 3.97Å; I371-F510 HydrophobicContact CD1-CZ 4.34Å; I371-F510 HydrophobicContact CG1-CE2 4.48Å; I371-F510 HydrophobicContact CG1-CZ 4.48Å; L505-F510 HydrophobicContact CB-CD1 4.36Å; Q506-F510 CarbonylContact C-O 3.53Å; Q506-F510 VanDerWaalsContact CA-O 3.29Å; Q506-F510 WeakPolarHBondContact CA-O 3.24Å; Q506-F510 PolarHBondContact O-N 2.67Å; P507-F510 VanDerWaalsContact CD-O 3.26Å; P507-F510 WeakPolarHBondContact CD-O 3.38Å; F510-N519 HydrophobicContact CD2-CB 4.25Å; F510-M523 HydrophobicContact CB-CB 4.02Å; F510-M523 HydrophobicContact CB-CG 4.21Å
511H94.4Very high95.3Very high82 Ų8223.8 Ų23.838%0.3814%0.136SC..  trans-154.2139.9157.9-168.6-92.4000109.1P507 S513 F514 N519P507-H511 HydrophobicContact CG-CB 4.12Å; H511-S513 PolarHBondContact CE1-OG 3.37Å; H511-S513 PolarHBondContact ND1-N 2.81Å; H511-S513 VanDerWaalsContact ND1-N 3.19Å; H511-S513 PolarHBondContact ND1-OG 2.93Å; H511-S513 PolarHBondContact O-N 3.38Å; H511-S513 VanDerWaalsContact O-N 3.11Å; H511-F514 HydrophobicContact CB-CB 4.45Å; H511-F514 HydrophobicContact CB-CD1 3.76Å; H511-F514 HydrophobicContact CB-CD2 3.76Å; H511-F514 HydrophobicContact CB-CE1 3.84Å; H511-F514 HydrophobicContact CB-CE2 3.84Å; H511-F514 HydrophobicContact CB-CG 3.72Å; H511-F514 HydrophobicContact CB-CZ 3.89Å; H511-F514 WeakPolarHBondContact O-CB 3.35Å; H511-F514 PolarHBondContact O-N 2.92Å; H511-N519 PolarHBondContact N-OD1 2.76Å; H511-N519 VanDerWaalsContact N-OD1 3.15Å; H511-N519 PolarHBondContact O-ND2 2.85Å; H511-N519 PolarHBondContact O-OD1 3.29Å
512S92.2Very high95.4Very high29 Ų2923.8 Ų23.820%0.20314%0.136CC..THydrogen-bonded Turntrans-57.5-31.4-177.8-65.30000113.4D370D370-S512 WeakPolarHBondContact OD2-CB 3.47Å; D370-S512 PolarHBondContact OD2-OG 2.91Å
513S92.8Very high95.4Very high93 Ų9323.8 Ų23.865%0.6514%0.136SC*.THydrogen-bonded Turntrans-85.2-5.7177.677.60000115.8H511H511-S513 PolarHBondContact CE1-OG 3.37Å; H511-S513 PolarHBondContact ND1-N 2.81Å; H511-S513 VanDerWaalsContact ND1-N 3.19Å; H511-S513 PolarHBondContact ND1-OG 2.93Å; H511-S513 PolarHBondContact O-N 3.38Å; H511-S513 VanDerWaalsContact O-N 3.11Å
514F94.7Very high95.5Very high64 Ų6423.8 Ų23.828%0.28114%0.136SC..SBendtrans-70.7150.8175.6-73.7-4.8000110.9P507 H511 K516 I518 N519P507-F514 HydrophobicContact CB-CE2 4.07Å; P507-F514 HydrophobicContact CB-CZ 3.83Å; P507-F514 HydrophobicContact CG-CE2 4.16Å; P507-F514 HydrophobicContact CG-CZ 3.77Å; H511-F514 HydrophobicContact CB-CB 4.45Å; H511-F514 HydrophobicContact CB-CD1 3.76Å; H511-F514 HydrophobicContact CB-CD2 3.76Å; H511-F514 HydrophobicContact CB-CE1 3.84Å; H511-F514 HydrophobicContact CB-CE2 3.84Å; H511-F514 HydrophobicContact CB-CG 3.72Å; H511-F514 HydrophobicContact CB-CZ 3.89Å; H511-F514 WeakPolarHBondContact O-CB 3.35Å; H511-F514 PolarHBondContact O-N 2.92Å; F514-K516 PolarHBondContact O-N 2.8Å; F514-I518 HydrophobicContact CD2-CG2 4.2Å; F514-N519 WeakPolarHBondContact CB-OD1 3.21Å
515P96Very high95.6Very high31 Ų3124 Ų2420%0.20114%0.137CC..  trans-51.3136165.3-15.522.1000109.7A517 I518 N519 E618 L621 M629P515-A517 PolarHBondContact O-N 3.06Å; P515-I518 HydrophobicContact CB-CG1 4.43Å; P515-I518 HydrophobicContact CG-CD1 4.03Å; P515-I518 HydrophobicContact CG-CG1 4.35Å; P515-I518 WeakPolarHBondContact O-CB 3.48Å; P515-I518 PolarHBondContact O-N 2.96Å; P515-N519 PolarHBondContact O-N 3.42Å; P515-N519 VanDerWaalsContact O-N 3.14Å; P515-E618 VanDerWaalsContact CA-OE1 3.28Å; P515-E618 WeakPolarHBondContact CA-OE1 3.22Å; P515-L621 HydrophobicContact CG-CD2 3.6Å; P515-L621 HydrophobicContact CG-CG 4.5Å; P515-M629 HydrophobicContact CB-CE 3.82Å
516K97.1Very high95.7Very high26 Ų2624 Ų2411%0.11314%0.137CC..Hα-helixtrans-61.6-30.9-179.6-59.9-58.9-166.6179.70110.8D370 F514 I518 N519 Y520 Y608 Y611 E618D370-K516 IonicContact OD1-NZ 2.85Å; D370-K516 PolarHBondContact OD1-NZ 3.49Å; D370-K516 IonicContact OD2-NZ 3.85Å; F514-K516 PolarHBondContact O-N 2.8Å; K516-I518 VanDerWaalsContact C-N 3.26Å; K516-I518 PolarHBondContact O-N 3.26Å; K516-N519 PolarHBondContact O-N 2.94Å; K516-Y520 HydrophobicContact CB-CD2 4.09Å; K516-Y520 HydrophobicContact CB-CE2 4.33Å; K516-Y520 WeakPolarHBondContact O-CB 3.33Å; K516-Y520 VanDerWaalsContact O-CD2 3.29Å; K516-Y520 WeakPolarHBondContact O-CD2 3.35Å; K516-Y520 PolarHBondContact O-N 3.33Å; K516-Y608 HydrophobicContact CB-CE2 4.4Å; K516-Y611 HydrophobicContact CB-CD1 3.99Å; K516-Y611 HydrophobicContact CB-CE1 3.77Å; K516-Y611 HydrophobicContact CD-CE2 4.48Å; K516-Y611 HydrophobicContact CG-CD1 4.23Å; K516-Y611 HydrophobicContact CG-CE1 3.58Å; K516-Y611 HydrophobicContact CG-CE2 4.03Å; K516-Y611 VanDerWaalsContact CG-CZ 3.48Å; K516-E618 PolarHBondContact N-OE1 3.48Å
517A97.6Very high96Very high0 Ų022.5 Ų22.50%013%0.131CC..Hα-helixtrans-51.6-43168.800000113.1P515 G521 Y608 E618 M629 V632 F633P515-A517 PolarHBondContact O-N 3.06Å; A517-G521 PolarHBondContact O-N 3.43Å; A517-Y608 VanDerWaalsContact CA-CE2 3.49Å; A517-Y608 HydrophobicContact CB-CE1 4.27Å; A517-Y608 HydrophobicContact CB-CE2 3.88Å; A517-Y608 VanDerWaalsContact N-CE2 3.33Å; A517-E618 PolarHBondContact N-OE2 2.96Å; A517-M629 HydrophobicContact CB-CB 4.37Å; A517-M629 HydrophobicContact CB-CE 3.66Å; A517-M629 WeakPolarHBondContact CB-O 3.37Å; A517-V632 HydrophobicContact CB-CB 4.49Å; A517-V632 HydrophobicContact CB-CG1 4.11Å; A517-F633 HydrophobicContact CB-CB 4.45Å; A517-F633 WeakPolarHBondContact O-CA 3.3Å
518I96.5Very high96.3Very high27 Ų2719.6 Ų19.614%0.13811%0.112CC..Hα-helixtrans-72.4-47.3178.3-61.8-177.7000110.2M1 F514 P515 K516 Y520 G521 A522 L621 V632M1-I518 HydrophobicContact CE-CD1 4.11Å; F514-I518 HydrophobicContact CD2-CG2 4.2Å; P515-I518 HydrophobicContact CB-CG1 4.43Å; P515-I518 HydrophobicContact CG-CD1 4.03Å; P515-I518 HydrophobicContact CG-CG1 4.35Å; P515-I518 WeakPolarHBondContact O-CB 3.48Å; P515-I518 PolarHBondContact O-N 2.96Å; K516-I518 VanDerWaalsContact C-N 3.26Å; K516-I518 PolarHBondContact O-N 3.26Å; I518-Y520 PolarHBondContact O-N 3.38Å; I518-G521 PolarHBondContact O-N 3.22Å; I518-A522 PolarHBondContact O-N 3.24Å; I518-L621 HydrophobicContact CD1-CD1 4.21Å; I518-V632 HydrophobicContact CD1-CG1 4.24Å; I518-V632 HydrophobicContact CG1-CG1 3.6Å
519N97.5Very high96.6Very high0 Ų018.2 Ų18.20%010%0.102CC..Hα-helixtrans-61.7-43.1-179.7-74.2-25.1000111.8M374 F510 H511 F514 P515 K516 M523 G524M374-N519 HydrophobicContact CE-CB 3.3Å; M374-N519 HydrophobicContact SD-CB 4.4Å; F510-N519 HydrophobicContact CD2-CB 4.25Å; H511-N519 PolarHBondContact N-OD1 2.76Å; H511-N519 VanDerWaalsContact N-OD1 3.15Å; H511-N519 PolarHBondContact O-ND2 2.85Å; H511-N519 PolarHBondContact O-OD1 3.29Å; F514-N519 WeakPolarHBondContact CB-OD1 3.21Å; P515-N519 PolarHBondContact O-N 3.42Å; P515-N519 VanDerWaalsContact O-N 3.14Å; K516-N519 PolarHBondContact O-N 2.94Å; N519-M523 CarbonylContact O-C 3.44Å; N519-M523 WeakPolarHBondContact O-CA 3.41Å; N519-M523 PolarHBondContact O-N 2.85Å; N519-G524 PolarHBondContact O-N 3.13Å
520Y98.3Very high96.8Very high2 Ų218.8 Ų18.81%0.00810%0.104CC..Iπ-helixtrans-67.9-40.5174.5-85.6-83.5000111.3M374 N377 L378 K516 I518 A522 G524 S525 Y608 Y611 F633M374-Y520 HydrophobicContact CB-CE1 4.45Å; M374-Y520 HydrophobicContact CE-CD1 4.49Å; M374-Y520 HydrophobicContact CE-CD2 3.55Å; M374-Y520 HydrophobicContact CE-CE2 3.61Å; M374-Y520 HydrophobicContact CE-CG 4Å; M374-Y520 HydrophobicContact CG-CE1 4.11Å; M374-Y520 HydrophobicContact CG-CE2 4.27Å; N377-Y520 HydrophobicContact CB-CE1 4.44Å; N377-Y520 PolarHBondContact ND2-OH 3.12Å; L378-Y520 HydrophobicContact CD1-CD1 3.91Å; L378-Y520 HydrophobicContact CD1-CE1 3.61Å; K516-Y520 HydrophobicContact CB-CD2 4.09Å; K516-Y520 HydrophobicContact CB-CE2 4.33Å; K516-Y520 WeakPolarHBondContact O-CB 3.33Å; K516-Y520 VanDerWaalsContact O-CD2 3.29Å; K516-Y520 WeakPolarHBondContact O-CD2 3.35Å; K516-Y520 PolarHBondContact O-N 3.33Å; I518-Y520 PolarHBondContact O-N 3.38Å; Y520-A522 VanDerWaalsContact C-N 3.34Å; Y520-A522 PolarHBondContact O-N 3.05Å; Y520-G524 CarbonylContact O-C 3.59Å; Y520-G524 WeakPolarHBondContact O-CA 3.45Å; Y520-G524 PolarHBondContact O-N 3.35Å; Y520-S525 PolarHBondContact O-N 3.17Å; Y520-Y608 AromaticContact CD2-CD2 3.86Å; Y520-Y608 HydrophobicContact CD2-CD2 3.86Å; Y520-Y608 HydrophobicContact CG-CD2 4.2Å; Y520-Y608 HydrophobicContact CG-CG 4.48Å; Y520-Y611 HydrophobicContact CE2-CD2 4.14Å; Y520-Y611 AromaticContact CE2-CG 3.91Å; Y520-Y611 HydrophobicContact CE2-CG 3.91Å; Y520-F633 VanDerWaalsContact C-CE2 3.43Å; Y520-F633 WeakPolarHBondContact O-CE2 3.44Å
521G97.8Very high97Very high0 Ų018.8 Ų18.80%010%0.104CC..Iπ-helixtrans-60.2-42.4176.700000112.7A517 I518 S525 F633 F637A517-G521 PolarHBondContact O-N 3.43Å; I518-G521 PolarHBondContact O-N 3.22Å; G521-S525 VanDerWaalsContact O-CB 3.3Å; G521-S525 WeakPolarHBondContact O-CB 3.48Å; G521-S525 PolarHBondContact O-OG 2.8Å; G521-F633 VanDerWaalsContact CA-CD2 3.49Å; G521-F633 VanDerWaalsContact CA-CE2 3.46Å; G521-F633 WeakPolarHBondContact CA-O 3.47Å; G521-F633 VanDerWaalsContact N-CD2 3.34Å; G521-F637 WeakPolarHBondContact O-CA 3.45Å; G521-F637 VanDerWaalsContact O-CB 3.31Å; G521-F637 WeakPolarHBondContact O-CB 3.19Å; G521-F637 PolarHBondContact O-N 3.14Å
522A97Very high97.1Very high0 Ų014.9 Ų14.90%09%0.086CC..Iπ-helixtrans-91.3-85.4178.900000112.2F509 I518 Y520 G524 S525 V526 F640F509-A522 WeakPolarHBondContact O-CB 3.46Å; I518-A522 PolarHBondContact O-N 3.24Å; Y520-A522 VanDerWaalsContact C-N 3.34Å; Y520-A522 PolarHBondContact O-N 3.05Å; A522-G524 VanDerWaalsContact C-N 3.3Å; A522-G524 PolarHBondContact O-N 3.22Å; A522-S525 WeakPolarHBondContact O-CB 3.46Å; A522-S525 PolarHBondContact O-N 3.15Å; A522-V526 PolarHBondContact O-N 2.95Å; A522-V526 VanDerWaalsContact O-N 3.11Å; A522-F640 HydrophobicContact CB-CD1 3.84Å; A522-F640 HydrophobicContact CB-CG 4.48Å
523M97.6Very high97.4Very high0 Ų014.3 Ų14.30%08%0.08CC..Iπ-helixtrans-59.2-35.8-177.8-168.863.8-126.400113.6I371 F500 L505 F509 F510 N519 S525 V526 I527I371-M523 HydrophobicContact CD1-CG 3.73Å; F500-M523 HydrophobicContact CD1-CE 3.36Å; F500-M523 HydrophobicContact CE1-CE 3.66Å; F500-M523 HydrophobicContact CG-CE 4.17Å; L505-M523 HydrophobicContact CD2-CE 4.28Å; L505-M523 HydrophobicContact CD2-CG 4.15Å; L505-M523 HydrophobicContact CD2-SD 3.69Å; F509-M523 HydrophobicContact CB-SD 4.38Å; F509-M523 VanDerWaalsContact O-CB 3.29Å; F509-M523 WeakPolarHBondContact O-CB 3.43Å; F509-M523 PolarHBondContact O-N 2.87Å; F509-M523 VanDerWaalsContact O-N 3.16Å; F510-M523 HydrophobicContact CB-CB 4.02Å; F510-M523 HydrophobicContact CB-CG 4.21Å; N519-M523 CarbonylContact O-C 3.44Å; N519-M523 WeakPolarHBondContact O-CA 3.41Å; N519-M523 PolarHBondContact O-N 2.85Å; M523-S525 VanDerWaalsContact C-N 3.34Å; M523-S525 PolarHBondContact O-N 3.42Å; M523-V526 HydrophobicContact CE-CB 3.69Å; M523-V526 HydrophobicContact CE-CG1 3.54Å; M523-V526 WeakPolarHBondContact O-CB 3.34Å; M523-V526 PolarHBondContact O-N 3.33Å; M523-V526 HydrophobicContact SD-CB 4.34Å; M523-V526 HydrophobicContact SD-CG1 4.48Å; M523-I527 HydrophobicContact CE-CD1 4.33Å; M523-I527 HydrophobicContact CE-CG1 3.68Å; M523-I527 HydrophobicContact CG-CD1 4.18Å; M523-I527 HydrophobicContact CG-CG1 4.48Å; M523-I527 WeakPolarHBondContact O-CG1 3.23Å; M523-I527 PolarHBondContact O-N 2.87Å
524G98.3Very high97.7Very high0 Ų09.9 Ų9.90%05%0.049CC..Iπ-helixtrans-59.3-44.7173.100000111.7L378 N519 Y520 A522 V526 I527 G528 A604L378-G524 WeakPolarHBondContact CD2-O 3.46Å; N519-G524 PolarHBondContact O-N 3.13Å; Y520-G524 CarbonylContact O-C 3.59Å; Y520-G524 WeakPolarHBondContact O-CA 3.45Å; Y520-G524 PolarHBondContact O-N 3.35Å; A522-G524 VanDerWaalsContact C-N 3.3Å; A522-G524 PolarHBondContact O-N 3.22Å; G524-V526 VanDerWaalsContact C-N 3.29Å; G524-V526 PolarHBondContact O-N 2.88Å; G524-I527 PolarHBondContact O-N 3.37Å; G524-I527 VanDerWaalsContact O-N 3.15Å; G524-G528 PolarHBondContact O-N 3.47Å; G524-A604 VanDerWaalsContact C-CB 3.43Å
525S98.3Very high97.8Very high4 Ų46.8 Ų6.83%0.0284%0.036CC..Hα-helixtrans-63.5-34.6175.6-60.30000112.6Y520 G521 A522 M523 H529 F637Y520-S525 PolarHBondContact O-N 3.17Å; G521-S525 VanDerWaalsContact O-CB 3.3Å; G521-S525 WeakPolarHBondContact O-CB 3.48Å; G521-S525 PolarHBondContact O-OG 2.8Å; A522-S525 WeakPolarHBondContact O-CB 3.46Å; A522-S525 PolarHBondContact O-N 3.15Å; M523-S525 VanDerWaalsContact C-N 3.34Å; M523-S525 PolarHBondContact O-N 3.42Å; S525-H529 VanDerWaalsContact O-CB 3.22Å; S525-H529 WeakPolarHBondContact O-CB 3.42Å; S525-H529 PolarHBondContact O-N 3.32Å; S525-F637 WeakPolarHBondContact OG-CD2 3.48Å
526V98Very high97.9Very high10 Ų105.7 Ų5.76%0.0613%0.028CC..Hα-helixtrans-66.4-43.1172.3176.70000110.7A489 F500 I504 F509 A522 M523 G524 G528 H529 E530 F640A489-V526 HydrophobicContact CB-CG1 3.84Å; F500-V526 HydrophobicContact CE1-CG1 4.37Å; I504-V526 HydrophobicContact CD1-CG1 4.38Å; F509-V526 HydrophobicContact CD1-CG2 4.39Å; A522-V526 PolarHBondContact O-N 2.95Å; A522-V526 VanDerWaalsContact O-N 3.11Å; M523-V526 HydrophobicContact CE-CB 3.69Å; M523-V526 HydrophobicContact CE-CG1 3.54Å; M523-V526 WeakPolarHBondContact O-CB 3.34Å; M523-V526 PolarHBondContact O-N 3.33Å; M523-V526 HydrophobicContact SD-CB 4.34Å; M523-V526 HydrophobicContact SD-CG1 4.48Å; G524-V526 VanDerWaalsContact C-N 3.29Å; G524-V526 PolarHBondContact O-N 2.88Å; V526-G528 PolarHBondContact O-N 3.02Å; V526-H529 WeakPolarHBondContact O-CB 3.26Å; V526-H529 PolarHBondContact O-N 3.48Å; V526-E530 WeakPolarHBondContact O-CG 3.45Å; V526-E530 PolarHBondContact O-N 3.21Å; V526-E530 VanDerWaalsContact O-N 3.07Å; V526-F640 HydrophobicContact CG2-CE2 3.94Å; V526-F640 HydrophobicContact CG2-CZ 3.93Å
527I98.5Very high97.8Very high0 Ų04.5 Ų4.50%02%0.023CC..Hα-helixtrans-60.9-47175.8-68.1162.2000111I371 M374 I375 L378 F500 M523 G524 H529 E530 I531I371-I527 HydrophobicContact CG2-CD1 4.3Å; M374-I527 HydrophobicContact CB-CD1 3.71Å; M374-I527 HydrophobicContact SD-CD1 4.47Å; I375-I527 HydrophobicContact CG1-CD1 4.15Å; I375-I527 HydrophobicContact CG1-CG1 4.39Å; I375-I527 HydrophobicContact CG1-CG2 3.76Å; L378-I527 HydrophobicContact CB-CG2 4.35Å; L378-I527 HydrophobicContact CD2-CB 3.85Å; L378-I527 HydrophobicContact CD2-CG2 3.71Å; F500-I527 HydrophobicContact CD1-CG1 4.48Å; F500-I527 HydrophobicContact CE1-CB 4.41Å; F500-I527 HydrophobicContact CE1-CG1 3.85Å; F500-I527 HydrophobicContact CE2-CG1 4.09Å; F500-I527 HydrophobicContact CZ-CB 4.02Å; F500-I527 HydrophobicContact CZ-CG1 3.65Å; F500-I527 HydrophobicContact CZ-CG2 4.16Å; M523-I527 HydrophobicContact CE-CD1 4.33Å; M523-I527 HydrophobicContact CE-CG1 3.68Å; M523-I527 HydrophobicContact CG-CD1 4.18Å; M523-I527 HydrophobicContact CG-CG1 4.48Å; M523-I527 WeakPolarHBondContact O-CG1 3.23Å; M523-I527 PolarHBondContact O-N 2.87Å; G524-I527 PolarHBondContact O-N 3.37Å; G524-I527 VanDerWaalsContact O-N 3.15Å; I527-H529 VanDerWaalsContact C-N 3.29Å; I527-H529 PolarHBondContact O-N 2.91Å; I527-E530 PolarHBondContact O-N 3.29Å; I527-I531 HydrophobicContact CG2-CD1 3.82Å; I527-I531 HydrophobicContact CG2-CG1 4.47Å; I527-I531 WeakPolarHBondContact O-CG1 3.31Å; I527-I531 PolarHBondContact O-N 3.49Å
528G98.5Very high97.6Very high0 Ų06.6 Ų6.60%03%0.033CC..Hα-helixtrans-64.7-34.5178.700000112.5L378 G524 V526 I531 T532 E603L378-G528 VanDerWaalsContact CD2-N 3.34Å; G524-G528 PolarHBondContact O-N 3.47Å; V526-G528 PolarHBondContact O-N 3.02Å; G528-I531 PolarHBondContact O-N 2.9Å; G528-T532 WeakPolarHBondContact O-CB 3.38Å; G528-T532 PolarHBondContact O-N 3.21Å; G528-T532 PolarHBondContact O-OG1 2.85Å; G528-E603 WeakPolarHBondContact CA-OE2 3.29Å
529H98.5Very high97.6Very high14 Ų145.3 Ų5.37%0.0653%0.026CC..Hα-helixtrans-60.1-49.6172.9177.894.7000111S525 V526 I527 I531 T532 H533 E593 A596 D597 R665S525-H529 VanDerWaalsContact O-CB 3.22Å; S525-H529 WeakPolarHBondContact O-CB 3.42Å; S525-H529 PolarHBondContact O-N 3.32Å; V526-H529 WeakPolarHBondContact O-CB 3.26Å; V526-H529 PolarHBondContact O-N 3.48Å; I527-H529 VanDerWaalsContact C-N 3.29Å; I527-H529 PolarHBondContact O-N 2.91Å; H529-I531 PolarHBondContact O-N 3.11Å; H529-T532 PolarHBondContact O-N 2.84Å; H529-T532 VanDerWaalsContact O-N 3.16Å; H529-H533 AromaticContact CD2-CD2 3.75Å; H529-H533 AromaticContact CD2-NE2 3.48Å; H529-H533 PolarHBondContact CD2-NE2 3.26Å; H529-H533 AromaticContact CE1-NE2 3.66Å; H529-H533 AromaticContact NE2-CD2 3.77Å; H529-H533 AromaticContact NE2-CE1 3.88Å; H529-H533 AromaticContact NE2-NE2 3Å; H529-H533 PolarHBondContact NE2-NE2 3.19Å; H529-H533 PolarHBondContact O-N 3.23Å; H529-E593 IonicContact CE1-OE2 3Å; H529-E593 PolarHBondContact CE1-OE2 3.48Å; H529-E593 VanDerWaalsContact CE1-OE2 3.22Å; H529-E593 IonicContact NE2-OE2 3.35Å; H529-E593 PolarHBondContact NE2-OE2 3.4Å; H529-A596 VanDerWaalsContact CE1-CB 3.41Å; H529-A596 WeakPolarHBondContact CE1-CB 3.35Å; H529-A596 VanDerWaalsContact ND1-CB 3.31Å; H529-A596 WeakPolarHBondContact ND1-CB 3.11Å; H529-D597 IonicContact CE1-OD1 3.56Å; H529-D597 PolarHBondContact CE1-OD1 3.09Å; H529-D597 VanDerWaalsContact CE1-OD1 3.3Å; H529-D597 PolarHBondContact ND1-N 3.24Å; H529-D597 IonicContact ND1-OD1 2.74Å; H529-D597 PolarHBondContact ND1-OD1 3.12Å; H529-R665 PolarHBondContact CE1-NH2 3.39Å
530E98.1Very high97.5Very high12 Ų125.7 Ų5.76%0.0563%0.029CC..Hα-helixtrans-66.5-35.2177.3-58.1-51152.800113.4A489 W490 Y491 I498 F500 V526 I527 T532 H533A489-E530 HydrophobicContact CB-CG 3.89Å; A489-E530 WeakPolarHBondContact CB-OE1 3.27Å; W490-E530 WeakPolarHBondContact CA-OE2 3.43Å; Y491-E530 PolarHBondContact N-OE2 3.16Å; I498-E530 HydrophobicContact CB-CB 4.15Å; I498-E530 HydrophobicContact CG2-CB 3.71Å; F500-E530 HydrophobicContact CE1-CB 4.25Å; F500-E530 HydrophobicContact CE1-CG 3.68Å; F500-E530 HydrophobicContact CZ-CB 4.06Å; F500-E530 HydrophobicContact CZ-CG 4.01Å; V526-E530 WeakPolarHBondContact O-CG 3.45Å; V526-E530 PolarHBondContact O-N 3.21Å; V526-E530 VanDerWaalsContact O-N 3.07Å; I527-E530 PolarHBondContact O-N 3.29Å; E530-T532 VanDerWaalsContact C-N 3.33Å; E530-H533 PolarHBondContact O-N 3.4Å; E530-H533 IonicContact OE2-CD2 3.07Å
531I98.4Very high97.4Very high0 Ų06.4 Ų6.40%03%0.032CC..Hα-helixtrans-62.8-44172.1-69.6167.4000109.9L378 I379 F382 I407 I498 I527 G528 H529 H533 A534 F535L378-I531 HydrophobicContact CB-CD1 3.86Å; I379-I531 HydrophobicContact CG1-CD1 3.96Å; F382-I531 HydrophobicContact CD1-CG2 4.24Å; F382-I531 HydrophobicContact CG-CG2 4.28Å; I407-I531 HydrophobicContact CD1-CG2 4.17Å; I498-I531 HydrophobicContact CD1-CG1 4.13Å; I527-I531 HydrophobicContact CG2-CD1 3.82Å; I527-I531 HydrophobicContact CG2-CG1 4.47Å; I527-I531 WeakPolarHBondContact O-CG1 3.31Å; I527-I531 PolarHBondContact O-N 3.49Å; G528-I531 PolarHBondContact O-N 2.9Å; H529-I531 PolarHBondContact O-N 3.11Å; I531-H533 VanDerWaalsContact C-N 3.29Å; I531-H533 PolarHBondContact O-N 3.01Å; I531-A534 VanDerWaalsContact O-CB 3.26Å; I531-A534 WeakPolarHBondContact O-CB 3.17Å; I531-A534 PolarHBondContact O-N 3.16Å; I531-A534 VanDerWaalsContact O-N 3.09Å; I531-F535 WeakPolarHBondContact O-CD2 3.3Å
532T98.3Very high97.4Very high0 Ų06.5 Ų6.50%03%0.033CC..Hα-helixtrans-66.2-29.2-179.7-59.10000112.5G528 H529 E530 A534 F535 D536 I595 A596 A599 E603G528-T532 WeakPolarHBondContact O-CB 3.38Å; G528-T532 PolarHBondContact O-N 3.21Å; G528-T532 PolarHBondContact O-OG1 2.85Å; H529-T532 PolarHBondContact O-N 2.84Å; H529-T532 VanDerWaalsContact O-N 3.16Å; E530-T532 VanDerWaalsContact C-N 3.33Å; T532-A534 PolarHBondContact O-N 3.35Å; T532-A534 VanDerWaalsContact O-N 3.09Å; T532-F535 CarbonylContact O-C 3.46Å; T532-F535 WeakPolarHBondContact O-CA 3.43Å; T532-F535 PolarHBondContact O-N 3.08Å; T532-D536 PolarHBondContact O-N 2.86Å; T532-I595 HydrophobicContact CG2-CG2 4.05Å; T532-A596 HydrophobicContact CG2-CB 4.24Å; T532-A599 HydrophobicContact CG2-CB 3.64Å; T532-A599 VanDerWaalsContact OG1-CB 3.22Å; T532-A599 WeakPolarHBondContact OG1-CB 3.43Å; T532-E603 PolarHBondContact OG1-OE1 3.35Å
533H98Very high97.4Very high17 Ų178 Ų88%0.0794%0.041CC..THydrogen-bonded Turntrans-59.4-20.3173.5-81.3-51.6000113.4Y491 H529 E530 I531 F535 D536 G539 E593Y491-H533 HydrophobicContact CD1-CB 3.55Å; Y491-H533 HydrophobicContact CE1-CB 4.4Å; Y491-H533 WeakPolarHBondContact CE1-O 3.4Å; Y491-H533 HydrophobicContact CG-CB 3.78Å; H529-H533 AromaticContact CD2-CD2 3.75Å; H529-H533 AromaticContact CD2-NE2 3.48Å; H529-H533 PolarHBondContact CD2-NE2 3.26Å; H529-H533 AromaticContact CE1-NE2 3.66Å; H529-H533 AromaticContact NE2-CD2 3.77Å; H529-H533 AromaticContact NE2-CE1 3.88Å; H529-H533 AromaticContact NE2-NE2 3Å; H529-H533 PolarHBondContact NE2-NE2 3.19Å; H529-H533 PolarHBondContact O-N 3.23Å; E530-H533 PolarHBondContact O-N 3.4Å; E530-H533 IonicContact OE2-CD2 3.07Å; I531-H533 VanDerWaalsContact C-N 3.29Å; I531-H533 PolarHBondContact O-N 3.01Å; H533-F535 PolarHBondContact O-N 3.18Å; H533-D536 IonicContact CE1-OD2 3.97Å; H533-D536 IonicContact CG-OD2 2.91Å; H533-D536 IonicContact ND1-OD2 2.84Å; H533-D536 PolarHBondContact ND1-OD2 3.14Å; H533-G539 WeakPolarHBondContact O-CA 3.41Å; H533-E593 IonicContact CE1-OE1 2.77Å; H533-E593 PolarHBondContact CE1-OE1 3.39Å; H533-E593 VanDerWaalsContact CE1-OE1 3.25Å; H533-E593 IonicContact CE1-OE2 2.72Å; H533-E593 IonicContact NE2-OE1 2.67Å; H533-E593 IonicContact NE2-OE2 2.8Å
534A97.8Very high97.3Very high0 Ų011.4 Ų11.40%06%0.056CC..THydrogen-bonded Turntrans-66.1-13.3167.900000113.3K403 I407 Y491 I531 T532 G539K403-A534 WeakPolarHBondContact CE-O 3.26Å; K403-A534 PolarHBondContact NZ-O 3.49Å; I407-A534 HydrophobicContact CD1-CB 4.09Å; Y491-A534 HydrophobicContact CD2-CB 4.44Å; Y491-A534 HydrophobicContact CE1-CB 4.21Å; Y491-A534 HydrophobicContact CE2-CB 3.66Å; Y491-A534 WeakPolarHBondContact OH-CA 3.29Å; Y491-A534 WeakPolarHBondContact OH-CB 3.34Å; I531-A534 VanDerWaalsContact O-CB 3.26Å; I531-A534 WeakPolarHBondContact O-CB 3.17Å; I531-A534 PolarHBondContact O-N 3.16Å; I531-A534 VanDerWaalsContact O-N 3.09Å; T532-A534 PolarHBondContact O-N 3.35Å; T532-A534 VanDerWaalsContact O-N 3.09Å; A534-G539 CarbonylContact O-C 3.4Å; A534-G539 VanDerWaalsContact O-C 3.23Å
535F98Very high97.2Very high0 Ų015.9 Ų15.90%08%0.076CC..THydrogen-bonded Turntrans-135.35.4-169.8-55.3-80.2000113.6F382 A400 K403 A404 I407 I531 T532 H533 W551 W697F382-F535 HydrophobicContact CD1-CE2 4.13Å; F382-F535 HydrophobicContact CE1-CD1 4.49Å; F382-F535 AromaticContact CE1-CD2 3.46Å; F382-F535 HydrophobicContact CE1-CD2 3.46Å; F382-F535 VanDerWaalsContact CE1-CD2 3.46Å; F382-F535 HydrophobicContact CE1-CE1 4.29Å; F382-F535 AromaticContact CE1-CE2 3.21Å; F382-F535 HydrophobicContact CE1-CE2 3.21Å; F382-F535 HydrophobicContact CE1-CG 4.12Å; F382-F535 AromaticContact CE1-CZ 3.68Å; F382-F535 HydrophobicContact CE1-CZ 3.68Å; F382-F535 HydrophobicContact CZ-CB 4.39Å; F382-F535 HydrophobicContact CZ-CD1 4.44Å; F382-F535 AromaticContact CZ-CD2 3.41Å; F382-F535 HydrophobicContact CZ-CD2 3.41Å; F382-F535 VanDerWaalsContact CZ-CD2 3.41Å; F382-F535 AromaticContact CZ-CE2 3.72Å; F382-F535 HydrophobicContact CZ-CE2 3.72Å; F382-F535 AromaticContact CZ-CG 3.83Å; F382-F535 HydrophobicContact CZ-CG 3.83Å; F382-F535 HydrophobicContact CZ-CZ 4.36Å; A400-F535 HydrophobicContact CB-CD1 4.49Å; A400-F535 HydrophobicContact CB-CE1 4.03Å; A400-F535 WeakPolarHBondContact O-CE1 3.44Å; A400-F535 WeakPolarHBondContact O-CZ 2.98Å; K403-F535 HydrophobicContact CB-CE1 4Å; K403-F535 HydrophobicContact CB-CZ 4.02Å; K403-F535 HydrophobicContact CD-CD1 4.45Å; K403-F535 HydrophobicContact CD-CE1 3.8Å; K403-F535 HydrophobicContact CD-CZ 4.11Å; K403-F535 HydrophobicContact CG-CE1 4.04Å; K403-F535 HydrophobicContact CG-CZ 3.93Å; A404-F535 HydrophobicContact CB-CE2 4.2Å; A404-F535 HydrophobicContact CB-CZ 3.85Å; I407-F535 HydrophobicContact CD1-CE2 4.43Å; I531-F535 WeakPolarHBondContact O-CD2 3.3Å; T532-F535 CarbonylContact O-C 3.46Å; T532-F535 WeakPolarHBondContact O-CA 3.43Å; T532-F535 PolarHBondContact O-N 3.08Å; H533-F535 PolarHBondContact O-N 3.18Å; F535-W551 HydrophobicContact CD1-CH2 4.09Å; F535-W551 HydrophobicContact CE1-CH2 4.34Å; F535-W697 HydrophobicContact CB-CD2 4.37Å; F535-W697 HydrophobicContact CB-CH2 3.91Å; F535-W697 HydrophobicContact CB-CZ2 3.42Å; F535-W697 VanDerWaalsContact CB-CZ2 3.42Å; F535-W697 HydrophobicContact CD1-CH2 4.25Å; F535-W697 HydrophobicContact CG-CH2 4.4Å; F535-W697 HydrophobicContact CG-CZ2 4.37Å; F535-W697 WeakPolarHBondContact O-CZ2 3.43Å; F535-W697 PolarHBondContact O-NE1 2.64Å
536D97.2Very high97Very high7 Ų715.7 Ų15.74%0.0378%0.075CC..SBendtrans-69.7-170.3172.874.614.2000112.2T532 H533 Q538 G539 S540 I595T532-D536 PolarHBondContact O-N 2.86Å; H533-D536 IonicContact CE1-OD2 3.97Å; H533-D536 IonicContact CG-OD2 2.91Å; H533-D536 IonicContact ND1-OD2 2.84Å; H533-D536 PolarHBondContact ND1-OD2 3.14Å; D536-Q538 PolarHBondContact O-N 3.18Å; D536-Q538 WeakPolarHBondContact OD1-CA 3.28Å; D536-Q538 PolarHBondContact OD1-N 3.37Å; D536-G539 PolarHBondContact OD1-N 2.91Å; D536-S540 WeakPolarHBondContact O-CB 3.26Å; D536-S540 PolarHBondContact O-N 3.13Å; D536-S540 PolarHBondContact O-OG 3.22Å; D536-I595 HydrophobicContact CB-CB 4.47Å; D536-I595 HydrophobicContact CB-CG2 4.3Å
537D94.6Very high96.9Very high1 Ų116.6 Ų16.61%0.0058%0.079CC..THydrogen-bonded Turntrans-62.9-25.5-178.172.8-61000114.5R227 S540 Q541 K564 Q591 G592R227-D537 IonicContact CZ-OD1 3.26Å; R227-D537 IonicContact CZ-OD2 3.23Å; R227-D537 IonicContact NE-OD1 3.42Å; R227-D537 IonicContact NE-OD2 3.22Å; R227-D537 PolarHBondContact NE-OD2 3.36Å; R227-D537 IonicContact NH2-OD1 3.78Å; R227-D537 PolarHBondContact NH2-OD1 2.89Å; R227-D537 IonicContact NH2-OD2 3.42Å; D537-S540 PolarHBondContact O-OG 3.37Å; D537-Q541 PolarHBondContact O-NE2 3.47Å; D537-K564 HydrophobicContact CB-CD 4.26Å; D537-Q591 HydrophobicContact CB-CG 4.19Å; D537-G592 WeakPolarHBondContact OD1-CA 3.47Å; D537-G592 PolarHBondContact OD1-N 2.89Å
538Q94.3Very high96.8Very high44 Ų4417.2 Ų17.221%0.2068%0.083CC..THydrogen-bonded Turntrans-97.6-51.1178.4-63.5-172.4-85.200111.6R227 D536 S540 Q541 Y542R227-Q538 HydrophobicContact CB-CG 4.27Å; R227-Q538 VanDerWaalsContact CZ-OE1 3.27Å; D536-Q538 PolarHBondContact O-N 3.18Å; D536-Q538 WeakPolarHBondContact OD1-CA 3.28Å; D536-Q538 PolarHBondContact OD1-N 3.37Å; Q538-S540 VanDerWaalsContact C-N 3.26Å; Q538-S540 PolarHBondContact O-N 3.32Å; Q538-Q541 WeakPolarHBondContact O-CB 3.44Å; Q538-Q541 PolarHBondContact O-N 3.32Å; Q538-Y542 WeakPolarHBondContact O-CD2 3.06Å
539G96.3Very high96.6Very high1 Ų119 Ų191%0.0110%0.098CC..G310 helixtrans-61.4-33179.800000113K403 H533 A534 D536 Q541 Y542K403-G539 PolarHBondContact NZ-O 3.2Å; H533-G539 WeakPolarHBondContact O-CA 3.41Å; A534-G539 CarbonylContact O-C 3.4Å; A534-G539 VanDerWaalsContact O-C 3.23Å; D536-G539 PolarHBondContact OD1-N 2.91Å; G539-Q541 PolarHBondContact O-N 3.02Å; G539-Q541 VanDerWaalsContact O-N 3.08Å; G539-Y542 PolarHBondContact O-N 3.1Å
540S96.4Very high96.4Very high8 Ų823.6 Ų23.66%0.05612%0.123CC..G310 helixtrans-60.1-18174.560.20000114.5D536 D537 Q538 Y542 W551 W552D536-S540 WeakPolarHBondContact O-CB 3.26Å; D536-S540 PolarHBondContact O-N 3.13Å; D536-S540 PolarHBondContact O-OG 3.22Å; D537-S540 PolarHBondContact O-OG 3.37Å; Q538-S540 VanDerWaalsContact C-N 3.26Å; Q538-S540 PolarHBondContact O-N 3.32Å; S540-Y542 PolarHBondContact O-N 3.22Å; S540-W551 VanDerWaalsContact O-CE2 3.24Å; S540-W551 VanDerWaalsContact O-CZ2 3.27Å; S540-W551 WeakPolarHBondContact O-CZ2 3.18Å; S540-W551 PolarHBondContact O-NE1 2.76Å; S540-W552 PolarHBondContact O-NE1 2.95Å
541Q96.2Very high96.3Very high17 Ų1725 Ų258%0.07913%0.128CC..G310 helixtrans-79.2-8.2177.1-57.4174.154.800112.9R227 D537 Q538 G539 L548 A549R227-Q541 PolarHBondContact O-NE2 3.29Å; D537-Q541 PolarHBondContact O-NE2 3.47Å; Q538-Q541 WeakPolarHBondContact O-CB 3.44Å; Q538-Q541 PolarHBondContact O-N 3.32Å; G539-Q541 PolarHBondContact O-N 3.02Å; G539-Q541 VanDerWaalsContact O-N 3.08Å; Q541-L548 HydrophobicContact CB-CD1 3.63Å; Q541-L548 WeakPolarHBondContact O-CA 3.37Å; Q541-A549 PolarHBondContact O-N 3.35Å
542Y96.9Very high96.2Very high1 Ų125.8 Ų25.80%0.00413%0.131CC..BIsolated β-bridgetrans-108.6140.4-175.9-70.7-97.9000111.9K138 E229 K403 H493 I494 Q538 G539 S540 G546 N547 L548 W551K138-Y542 HydrophobicContact CB-CE1 4.43Å; K138-Y542 WeakPolarHBondContact CD-OH 3.46Å; K138-Y542 WeakPolarHBondContact CE-OH 3.33Å; K138-Y542 HydrophobicContact CG-CE1 4.14Å; K138-Y542 WeakPolarHBondContact CG-OH 3.31Å; K138-Y542 PolarHBondContact NZ-OH 3.09Å; E229-Y542 PolarHBondContact OE2-OH 3.21Å; K403-Y542 WeakPolarHBondContact CE-O 3.36Å; K403-Y542 PolarHBondContact NZ-O 3.08Å; H493-Y542 HydrophobicContact CB-CD1 4.36Å; H493-Y542 HydrophobicContact CB-CD2 3.79Å; H493-Y542 HydrophobicContact CB-CE2 4.13Å; H493-Y542 HydrophobicContact CB-CG 3.93Å; H493-Y542 AromaticContact CE1-CE2 3.85Å; H493-Y542 AromaticContact CE1-CZ 3.44Å; H493-Y542 VanDerWaalsContact CE1-CZ 3.44Å; H493-Y542 PolarHBondContact CE1-OH 3.13Å; H493-Y542 AromaticContact CG-CD2 3.94Å; H493-Y542 AromaticContact CG-CE2 3.74Å; H493-Y542 AromaticContact CG-CZ 3.92Å; H493-Y542 AromaticContact ND1-CD1 3.82Å; H493-Y542 AromaticContact ND1-CD2 3.8Å; H493-Y542 AromaticContact ND1-CE1 3.29Å; H493-Y542 VanDerWaalsContact ND1-CE1 3.29Å; H493-Y542 WeakPolarHBondContact ND1-CE1 3.47Å; H493-Y542 AromaticContact ND1-CE2 3.29Å; H493-Y542 VanDerWaalsContact ND1-CE2 3.29Å; H493-Y542 WeakPolarHBondContact ND1-CE2 3.11Å; H493-Y542 AromaticContact ND1-CZ 2.99Å; H493-Y542 PolarHBondContact ND1-OH 3.22Å; I494-Y542 HydrophobicContact CG1-CE1 4.24Å; Q538-Y542 WeakPolarHBondContact O-CD2 3.06Å; G539-Y542 PolarHBondContact O-N 3.1Å; S540-Y542 PolarHBondContact O-N 3.22Å; Y542-G546 WeakPolarHBondContact CD1-O 3.09Å; Y542-N547 CarbonylContact C-O 3.56Å; Y542-N547 VanDerWaalsContact CA-O 3.24Å; Y542-N547 WeakPolarHBondContact CA-O 3.05Å; Y542-L548 HydrophobicContact CD1-CB 4.44Å; Y542-L548 HydrophobicContact CD2-CD1 4.36Å; Y542-L548 HydrophobicContact CE1-CB 4.07Å; Y542-L548 HydrophobicContact CE1-CD1 4.49Å; Y542-L548 HydrophobicContact CE2-CD1 3.89Å; Y542-W551 PolarHBondContact O-NE1 2.63Å
543D96.7Very high96.1Very high32 Ų3227.2 Ų27.217%0.17114%0.141CC..  trans-77.5-176.4174.371.912.5000112.7H545 G546 N547 A549D543-H545 PolarHBondContact O-N 3.27Å; D543-H545 VanDerWaalsContact OD1-CA 3.28Å; D543-H545 WeakPolarHBondContact OD1-CA 3.43Å; D543-H545 WeakPolarHBondContact OD1-CB 3.3Å; D543-H545 PolarHBondContact OD1-N 3.05Å; D543-G546 PolarHBondContact O-N 3.36Å; D543-G546 PolarHBondContact OD1-N 2.04Å; D543-N547 PolarHBondContact N-O 3.33Å; D543-N547 PolarHBondContact OD1-N 2.63Å; D543-N547 PolarHBondContact OD2-ND2 3.23Å; D543-N547 VanDerWaalsContact OD2-ND2 3.15Å; D543-A549 HydrophobicContact CB-CB 4.35Å
544K96.6Very high96Very high72 Ų7232 Ų3231%0.31317%0.173SC..THydrogen-bonded Turntrans-65-16.1176.970.3-175.7174.9-170.70114.8E402 K403 A406 R477E402-K544 HydrophobicContact CB-CD 4.2Å; E402-K544 IonicContact OE2-NZ 3.88Å; E402-K544 PolarHBondContact OE2-NZ 3.15Å; K403-K544 HydrophobicContact CB-CB 4.19Å; K403-K544 HydrophobicContact CG-CB 4.46Å; A406-K544 HydrophobicContact CB-CB 3.85Å; R477-K544 PolarHBondContact NH1-O 3Å; R477-K544 PolarHBondContact NH2-O 3.36Å
545H94.8Very high96Very high93 Ų9335 Ų3543%0.43120%0.198SC..THydrogen-bonded Turntrans-94.3-11.1178.8-62.2-65.1000112.7S141 R477 D543 N547S141-H545 PolarHBondContact OG-O 3.2Å; R477-H545 PolarHBondContact NE-O 3.19Å; R477-H545 VanDerWaalsContact NH1-CA 3.32Å; R477-H545 PolarHBondContact NH1-O 3.03Å; D543-H545 PolarHBondContact O-N 3.27Å; D543-H545 VanDerWaalsContact OD1-CA 3.28Å; D543-H545 WeakPolarHBondContact OD1-CA 3.43Å; D543-H545 WeakPolarHBondContact OD1-CB 3.3Å; D543-H545 PolarHBondContact OD1-N 3.05Å; H545-N547 WeakPolarHBondContact CB-ND2 3.36Å
546G94.9Very high96Very high0 Ų035.1 Ų35.10%020%0.199CC..SBendtrans88.420.3-175.400000113.5H493 I494 Y542 D543H493-G546 VanDerWaalsContact O-CA 3.27Å; H493-G546 WeakPolarHBondContact O-CA 3.4Å; I494-G546 WeakPolarHBondContact O-CA 3.35Å; Y542-G546 WeakPolarHBondContact CD1-O 3.09Å; D543-G546 PolarHBondContact O-N 3.36Å; D543-G546 PolarHBondContact OD1-N 2.04Å
547N96Very high96Very high29 Ų2939.3 Ų39.316%0.15522%0.217CC..  trans-95.2136.6173.5-46.7-55.1000110.7K138 S141 Y542 D543 H545 A549K138-N547 CarbonylContact O-C 3.53Å; K138-N547 VanDerWaalsContact O-CA 3.28Å; K138-N547 WeakPolarHBondContact O-CA 3.38Å; S141-N547 WeakPolarHBondContact CB-OD1 3.48Å; S141-N547 PolarHBondContact N-OD1 2.83Å; S141-N547 PolarHBondContact OG-OD1 3.17Å; Y542-N547 CarbonylContact C-O 3.56Å; Y542-N547 VanDerWaalsContact CA-O 3.24Å; Y542-N547 WeakPolarHBondContact CA-O 3.05Å; D543-N547 PolarHBondContact N-O 3.33Å; D543-N547 PolarHBondContact OD1-N 2.63Å; D543-N547 PolarHBondContact OD2-ND2 3.23Å; D543-N547 VanDerWaalsContact OD2-ND2 3.15Å; H545-N547 WeakPolarHBondContact CB-ND2 3.36Å; N547-A549 PolarHBondContact O-N 3.27Å
548L95.2Very high96.1Very high13 Ų1345.9 Ų45.97%0.06825%0.245CC..BIsolated β-bridgetrans-62.498.6168.1-172.872.6000109.2K138 W139 E229 L233 Q541 Y542K138-L548 HydrophobicContact CB-CB 4.15Å; K138-L548 WeakPolarHBondContact O-CB 3.38Å; K138-L548 PolarHBondContact O-N 2.94Å; W139-L548 HydrophobicContact CZ2-CD2 4.5Å; E229-L548 HydrophobicContact CB-CD1 4.33Å; E229-L548 HydrophobicContact CB-CD2 4.42Å; L233-L548 HydrophobicContact CD1-CD2 4.34Å; Q541-L548 HydrophobicContact CB-CD1 3.63Å; Q541-L548 WeakPolarHBondContact O-CA 3.37Å; Y542-L548 HydrophobicContact CD1-CB 4.44Å; Y542-L548 HydrophobicContact CD2-CD1 4.36Å; Y542-L548 HydrophobicContact CE1-CB 4.07Å; Y542-L548 HydrophobicContact CE1-CD1 4.49Å; Y542-L548 HydrophobicContact CE2-CD1 3.89Å
549A94.7Very high96.2Very high39 Ų3948 Ų4832%0.32226%0.255SS..  trans-150135.8-173.200000110.2Q541 D543 N547 W551Q541-A549 PolarHBondContact O-N 3.35Å; D543-A549 HydrophobicContact CB-CB 4.35Å; N547-A549 PolarHBondContact O-N 3.27Å; A549-W551 PolarHBondContact O-N 3Å
550N93.9Very high96.3Very high110 Ų11048.4 Ų48.459%0.58826%0.257SS*.  trans-79.7102.1176.7-177.336.7000111W552N550-W552 PolarHBondContact ND2-O 2.98Å; N550-W552 PolarHBondContact OD1-N 2.65Å
551W96.4Very high96.2Very high42 Ų4254.1 Ų54.116%0.15928%0.277CS..  trans-100.76.1174.151.9-92.7000113.4T396 A399 A400 K403 F535 S540 Y542 A549T396-W551 HydrophobicContact CG2-CE3 4.33Å; T396-W551 HydrophobicContact CG2-CZ3 4.12Å; A399-W551 HydrophobicContact CB-CB 4.5Å; A399-W551 HydrophobicContact CB-CE3 3.78Å; A399-W551 HydrophobicContact CB-CZ3 4.45Å; A400-W551 HydrophobicContact CB-CH2 4.42Å; A400-W551 HydrophobicContact CB-CZ3 4.12Å; K403-W551 HydrophobicContact CD-CZ2 4.23Å; F535-W551 HydrophobicContact CD1-CH2 4.09Å; F535-W551 HydrophobicContact CE1-CH2 4.34Å; S540-W551 VanDerWaalsContact O-CE2 3.24Å; S540-W551 VanDerWaalsContact O-CZ2 3.27Å; S540-W551 WeakPolarHBondContact O-CZ2 3.18Å; S540-W551 PolarHBondContact O-NE1 2.76Å; Y542-W551 PolarHBondContact O-NE1 2.63Å; A549-W551 PolarHBondContact O-N 3Å
552W96.4Very high96.3Very high16 Ų1657 Ų576%0.06129%0.291CS..SBendtrans-91.9142.8178.1-62.972.6000111.4W391 M392 T396 S540 N550 K557 F560 W697W391-W552 HydrophobicContact CH2-CH2 4.04Å; W391-W552 AromaticContact CH2-CZ3 3.75Å; W391-W552 HydrophobicContact CH2-CZ3 3.75Å; W391-W552 AromaticContact CZ3-CZ3 3.79Å; W391-W552 HydrophobicContact CZ3-CZ3 3.79Å; M392-W552 HydrophobicContact CE-CH2 3.84Å; M392-W552 HydrophobicContact CE-CZ3 3.67Å; T396-W552 HydrophobicContact CG2-CB 4.44Å; T396-W552 HydrophobicContact CG2-CD2 3.96Å; T396-W552 HydrophobicContact CG2-CE3 3.62Å; T396-W552 HydrophobicContact CG2-CG 4.35Å; T396-W552 HydrophobicContact CG2-CZ3 4.15Å; S540-W552 PolarHBondContact O-NE1 2.95Å; N550-W552 PolarHBondContact ND2-O 2.98Å; N550-W552 PolarHBondContact OD1-N 2.65Å; W552-K557 HydrophobicContact CB-CB 4.02Å; W552-F560 HydrophobicContact CH2-CB 4.21Å; W552-F560 AromaticContact CH2-CD2 3.91Å; W552-F560 HydrophobicContact CH2-CD2 3.91Å; W552-F560 HydrophobicContact CH2-CE2 4.38Å; W552-F560 AromaticContact CH2-CG 3.97Å; W552-F560 HydrophobicContact CH2-CG 3.97Å; W552-F560 HydrophobicContact CZ3-CB 3.86Å; W552-F560 HydrophobicContact CZ3-CD2 4.36Å; W552-F560 HydrophobicContact CZ3-CG 4.13Å; W552-W697 AromaticContact CH2-CH2 3.63Å; W552-W697 HydrophobicContact CH2-CH2 3.63Å; W552-W697 AromaticContact CH2-CZ2 3.94Å; W552-W697 HydrophobicContact CH2-CZ2 3.94Å; W552-W697 HydrophobicContact CZ2-CH2 4.2Å; W552-W697 HydrophobicContact CZ2-CZ2 4.41Å
553S97Very high96.3Very high30 Ų3059 Ų5921%0.2130%0.299CS..  trans-66.7152.7160.392.30000110.6D393 T396 A555 S556 K557D393-S553 WeakPolarHBondContact OD2-CB 3.4Å; D393-S553 PolarHBondContact OD2-OG 3.31Å; T396-S553 PolarHBondContact OG1-N 3.06Å; S553-A555 PolarHBondContact O-N 3.43Å; S553-A555 PolarHBondContact OG-N 2.93Å; S553-S556 PolarHBondContact O-N 3.45Å; S553-S556 PolarHBondContact OG-N 3.47Å; S553-K557 WeakPolarHBondContact O-CB 3.31Å; S553-K557 PolarHBondContact O-N 3.43Å
554P96.5Very high96.2Very high116 Ų11657.9 Ų57.975%0.75329%0.293SS*.Hα-helixtrans-56.2-35.3174.4-26.835.2000113.6K558P554-K558 WeakPolarHBondContact O-CB 3.34Å; P554-K558 PolarHBondContact O-N 3.39Å
555A97.3Very high96.3Very high65 Ų6557.9 Ų57.954%0.53729%0.293SS..Hα-helixtrans-69.6-48.4179.700000111.6S553 K557 K558 Q559S553-A555 PolarHBondContact O-N 3.43Å; S553-A555 PolarHBondContact OG-N 2.93Å; A555-K557 PolarHBondContact O-N 3.03Å; A555-K558 PolarHBondContact O-N 2.89Å; A555-Q559 WeakPolarHBondContact O-CG 3.2Å; A555-Q559 PolarHBondContact O-N 2.71Å
556S98Very high96.4Very high1 Ų154.9 Ų54.91%0.00728%0.282CS..Hα-helixtrans-63.4-41.4177-700000111.2D393 T396 S553 K558 Q559 F560D393-S556 VanDerWaalsContact CG-OG 3.3Å; D393-S556 PolarHBondContact N-OG 3.31Å; D393-S556 VanDerWaalsContact N-OG 3.07Å; D393-S556 PolarHBondContact OD2-OG 3.11Å; T396-S556 PolarHBondContact OG1-OG 2.87Å; S553-S556 PolarHBondContact O-N 3.45Å; S553-S556 PolarHBondContact OG-N 3.47Å; S556-K558 VanDerWaalsContact C-N 3.35Å; S556-K558 PolarHBondContact O-N 3.44Å; S556-Q559 PolarHBondContact O-N 2.92Å; S556-F560 WeakPolarHBondContact O-CB 3.36Å; S556-F560 PolarHBondContact O-N 3.17Å
557K95.8Very high96.6Very high95 Ų9554.9 Ų54.941%0.41328%0.282SS..Hα-helixtrans-61.1-41.4176-168.5172.2-176.3173.10112.3W552 S553 A555 F560 W561W552-K557 HydrophobicContact CB-CB 4.02Å; S553-K557 WeakPolarHBondContact O-CB 3.31Å; S553-K557 PolarHBondContact O-N 3.43Å; A555-K557 PolarHBondContact O-N 3.03Å; K557-F560 PolarHBondContact O-N 3.35Å; K557-W561 PolarHBondContact O-N 3.35Å; K557-W561 VanDerWaalsContact O-N 3.08Å
558K97Very high96.6Very high140 Ų14054.8 Ų54.861%0.60928%0.281SS*.Hα-helixtrans-63.1-44.5175.5-177.1-179.9177.5-1780111.7P554 A555 S556 W561 E562P554-K558 WeakPolarHBondContact O-CB 3.34Å; P554-K558 PolarHBondContact O-N 3.39Å; A555-K558 PolarHBondContact O-N 2.89Å; S556-K558 VanDerWaalsContact C-N 3.35Å; S556-K558 PolarHBondContact O-N 3.44Å; K558-W561 WeakPolarHBondContact O-CB 3.4Å; K558-W561 PolarHBondContact O-N 2.98Å; K558-E562 PolarHBondContact O-N 2.87Å; K558-E562 VanDerWaalsContact O-N 3.08Å
559Q97.8Very high96.7Very high89 Ų8960.8 Ų60.842%0.41631%0.307SS..Hα-helixtrans-66.5-39.5178.6-70.5-62.3-14.800112.5W391 A555 S556 W561 E562 K563W391-Q559 HydrophobicContact CB-CB 4.27Å; W391-Q559 HydrophobicContact CD2-CB 4.44Å; W391-Q559 HydrophobicContact CE3-CB 3.63Å; W391-Q559 HydrophobicContact CZ3-CB 4.36Å; A555-Q559 WeakPolarHBondContact O-CG 3.2Å; A555-Q559 PolarHBondContact O-N 2.71Å; S556-Q559 PolarHBondContact O-N 2.92Å; Q559-W561 VanDerWaalsContact C-N 3.28Å; Q559-W561 PolarHBondContact O-N 3.3Å; Q559-E562 PolarHBondContact O-N 3.05Å; Q559-K563 WeakPolarHBondContact O-CG 3.12Å; Q559-K563 PolarHBondContact O-N 3.29Å
560F97.6Very high96.9Very high9 Ų960 Ų604%0.03930%0.296CS..Hα-helixtrans-57.2-43.8172.3-178.6-111.8000111.5W391 W552 S556 K557 E562 K563 K564 V696 W697W391-F560 HydrophobicContact CH2-CB 3.94Å; W391-F560 AromaticContact CH2-CD2 3.8Å; W391-F560 HydrophobicContact CH2-CD2 3.8Å; W391-F560 HydrophobicContact CH2-CG 4.34Å; W391-F560 HydrophobicContact CZ3-CB 3.76Å; W391-F560 HydrophobicContact CZ3-CD2 4.49Å; W552-F560 HydrophobicContact CH2-CB 4.21Å; W552-F560 AromaticContact CH2-CD2 3.91Å; W552-F560 HydrophobicContact CH2-CD2 3.91Å; W552-F560 HydrophobicContact CH2-CE2 4.38Å; W552-F560 AromaticContact CH2-CG 3.97Å; W552-F560 HydrophobicContact CH2-CG 3.97Å; W552-F560 HydrophobicContact CZ3-CB 3.86Å; W552-F560 HydrophobicContact CZ3-CD2 4.36Å; W552-F560 HydrophobicContact CZ3-CG 4.13Å; S556-F560 WeakPolarHBondContact O-CB 3.36Å; S556-F560 PolarHBondContact O-N 3.17Å; K557-F560 PolarHBondContact O-N 3.35Å; F560-E562 PolarHBondContact O-N 3.38Å; F560-K563 PolarHBondContact O-N 3.12Å; F560-K564 HydrophobicContact CE1-CD 4.25Å; F560-K564 PolarHBondContact O-N 2.59Å; F560-V696 HydrophobicContact CD2-CG1 3.84Å; F560-V696 HydrophobicContact CE2-CG1 3.6Å; F560-W697 HydrophobicContact CD2-CZ2 4.21Å; F560-W697 AromaticContact CE2-CZ2 3.76Å; F560-W697 HydrophobicContact CE2-CZ2 3.76Å
561W95.2Very high97.1Very high128 Ų12854.7 Ų54.749%0.48527%0.268SS..Hα-helixtrans-61.2-43.5175.7-175.481.6000112.9K557 K558 Q559 K563 K564 K565K557-W561 PolarHBondContact O-N 3.35Å; K557-W561 VanDerWaalsContact O-N 3.08Å; K558-W561 WeakPolarHBondContact O-CB 3.4Å; K558-W561 PolarHBondContact O-N 2.98Å; Q559-W561 VanDerWaalsContact C-N 3.28Å; Q559-W561 PolarHBondContact O-N 3.3Å; W561-K563 VanDerWaalsContact C-N 3.33Å; W561-K563 PolarHBondContact O-N 3.49Å; W561-K564 VanDerWaalsContact CD1-CE 3.4Å; W561-K564 WeakPolarHBondContact O-CG 3.31Å; W561-K565 VanDerWaalsContact CE2-CE 3.45Å; W561-K565 HydrophobicContact CE3-CD 4.4Å; W561-K565 HydrophobicContact CH2-CD 4.4Å; W561-K565 HydrophobicContact CZ2-CD 4.41Å; W561-K565 HydrophobicContact CZ3-CD 4.41Å; W561-K565 WeakPolarHBondContact O-CG 3.33Å; W561-K565 PolarHBondContact O-N 3.45Å; W561-K565 VanDerWaalsContact O-N 3.13Å
562E97Very high97.1Very high77 Ų7754.8 Ų54.836%0.3628%0.275SS..Hα-helixtrans-64.9-35.6175.8-67.1-56.4153.900112.7K558 Q559 F560 K565K558-E562 PolarHBondContact O-N 2.87Å; K558-E562 VanDerWaalsContact O-N 3.08Å; Q559-E562 PolarHBondContact O-N 3.05Å; F560-E562 PolarHBondContact O-N 3.38Å; E562-K565 IonicContact OE1-NZ 3.46Å; E562-K565 PolarHBondContact OE1-NZ 3.16Å; E562-K565 IonicContact OE2-NZ 3.79Å; E562-K565 PolarHBondContact OE2-NZ 2.87Å
563K97.4Very high97.2Very high43 Ų4359.3 Ų59.319%0.18730%0.3CS..Hα-helixtrans-69.8-44.9176.9-74.8178.8165.3-112.70112.4W391 Q559 F560 W561 K565 C566 V695 V696W391-K563 HydrophobicContact CB-CD 4.37Å; W391-K563 HydrophobicContact CD2-CD 3.66Å; W391-K563 HydrophobicContact CE3-CD 4.37Å; W391-K563 HydrophobicContact CG-CD 3.66Å; W391-K563 HydrophobicContact CZ2-CD 4.28Å; Q559-K563 WeakPolarHBondContact O-CG 3.12Å; Q559-K563 PolarHBondContact O-N 3.29Å; F560-K563 PolarHBondContact O-N 3.12Å; W561-K563 VanDerWaalsContact C-N 3.33Å; W561-K563 PolarHBondContact O-N 3.49Å; K563-K565 VanDerWaalsContact C-N 3.31Å; K563-K565 PolarHBondContact O-N 3.44Å; K563-C566 VanDerWaalsContact O-CB 3.23Å; K563-C566 WeakPolarHBondContact O-CB 3.16Å; K563-C566 PolarHBondContact O-N 2.99Å; K563-V695 PolarHBondContact NZ-O 3.21Å; K563-V696 HydrophobicContact CB-CG1 4.48Å; K563-V696 HydrophobicContact CB-CG2 4.07Å
564K95.7Very high97.1Very high9 Ų958.9 Ų58.94%0.03930%0.295CS..Hα-helixtrans-64.5-33176.872.5-178-174.3167.50112.8E228 D537 F560 W561 C566 I567 I568 I595E228-K564 IonicContact OE1-NZ 2.78Å; E228-K564 PolarHBondContact OE1-NZ 3.01Å; D537-K564 HydrophobicContact CB-CD 4.26Å; F560-K564 HydrophobicContact CE1-CD 4.25Å; F560-K564 PolarHBondContact O-N 2.59Å; W561-K564 VanDerWaalsContact CD1-CE 3.4Å; W561-K564 WeakPolarHBondContact O-CG 3.31Å; K564-C566 PolarHBondContact O-N 3.42Å; K564-I567 WeakPolarHBondContact O-CB 3.15Å; K564-I567 PolarHBondContact O-N 3.33Å; K564-I567 VanDerWaalsContact O-N 3.1Å; K564-I568 WeakPolarHBondContact O-CG1 3.14Å; K564-I568 PolarHBondContact O-N 3.28Å; K564-I595 HydrophobicContact CB-CD1 3.99Å
565K97.1Very high97.1Very high72 Ų7254.9 Ų54.931%0.31327%0.269SS..Hα-helixtrans-56.6-34.5171-78.3-178.1-170.8164.80113.7W561 E562 K563 I568 K569W561-K565 VanDerWaalsContact CE2-CE 3.45Å; W561-K565 HydrophobicContact CE3-CD 4.4Å; W561-K565 HydrophobicContact CH2-CD 4.4Å; W561-K565 HydrophobicContact CZ2-CD 4.41Å; W561-K565 HydrophobicContact CZ3-CD 4.41Å; W561-K565 WeakPolarHBondContact O-CG 3.33Å; W561-K565 PolarHBondContact O-N 3.45Å; W561-K565 VanDerWaalsContact O-N 3.13Å; E562-K565 IonicContact OE1-NZ 3.46Å; E562-K565 PolarHBondContact OE1-NZ 3.16Å; E562-K565 IonicContact OE2-NZ 3.79Å; E562-K565 PolarHBondContact OE2-NZ 2.87Å; K563-K565 VanDerWaalsContact C-N 3.31Å; K563-K565 PolarHBondContact O-N 3.44Å; K565-I568 PolarHBondContact O-N 3.15Å; K565-K569 WeakPolarHBondContact O-CB 3.41Å; K565-K569 PolarHBondContact O-N 3.17Å
566C98Very high97Very high29 Ų2952.4 Ų52.420%0.19625%0.246CC..Hα-helixtrans-61.6-49.1176.5-1670000109.9K563 K564 K569 Q570 C694K563-C566 VanDerWaalsContact O-CB 3.23Å; K563-C566 WeakPolarHBondContact O-CB 3.16Å; K563-C566 PolarHBondContact O-N 2.99Å; K564-C566 PolarHBondContact O-N 3.42Å; C566-K569 PolarHBondContact O-N 3.01Å; C566-Q570 WeakPolarHBondContact O-CB 3.36Å; C566-Q570 PolarHBondContact O-N 3.13Å; C566-C694 HydrophobicContact CB-CB 3.7Å; C566-C694 WeakPolarHBondContact CB-SG 3.37Å; C566-C694 PolarHBondContact O-SG 3.03Å; C566-C694 WeakPolarHBondContact SG-CA 3.2Å; C566-C694 WeakPolarHBondContact SG-CB 3.39Å; C566-C694 CovalentContact SG-SG 2.05Å; C566-C694 PolarHBondContact SG-SG 3.47Å
567I98.1Very high96.8Very high1 Ų156.7 Ų56.71%0.00527%0.274CS..Hα-helixtrans-59.2-49.7176.2-62.6-67.9000110.7K564 K569 Q570 Y571 N594 I595 C694 V696K564-I567 WeakPolarHBondContact O-CB 3.15Å; K564-I567 PolarHBondContact O-N 3.33Å; K564-I567 VanDerWaalsContact O-N 3.1Å; I567-K569 VanDerWaalsContact C-N 3.31Å; I567-K569 PolarHBondContact O-N 3.09Å; I567-Q570 PolarHBondContact O-N 2.99Å; I567-Y571 HydrophobicContact CG2-CD2 3.86Å; I567-Y571 HydrophobicContact CG2-CE2 4.03Å; I567-Y571 WeakPolarHBondContact O-CD2 3.5Å; I567-Y571 PolarHBondContact O-N 2.98Å; I567-N594 HydrophobicContact CG2-CB 3.56Å; I567-I595 HydrophobicContact CG1-CG1 4.49Å; I567-I595 HydrophobicContact CG2-CG1 4.43Å; I567-C694 HydrophobicContact CD1-CB 3.54Å; I567-C694 HydrophobicContact CG1-CB 4.12Å; I567-V696 HydrophobicContact CG1-CG2 3.85Å
568I97.2Very high96.6Very high27 Ų2757.6 Ų57.614%0.13828%0.279CS..Hα-helixtrans-53.2-50.7177.6-67.8167.2000110.5K564 K565 S572 G587 Y588 Q591K564-I568 WeakPolarHBondContact O-CG1 3.14Å; K564-I568 PolarHBondContact O-N 3.28Å; K565-I568 PolarHBondContact O-N 3.15Å; I568-S572 WeakPolarHBondContact O-CB 3.42Å; I568-S572 PolarHBondContact O-N 3.42Å; I568-S572 PolarHBondContact O-OG 3.34Å; I568-G587 WeakPolarHBondContact CG1-O 3.43Å; I568-Y588 HydrophobicContact CD1-CD2 4Å; I568-Q591 HydrophobicContact CD1-CB 4.45Å; I568-Q591 HydrophobicContact CG1-CB 3.9Å
569K97.8Very high96.3Very high138 Ų13851.2 Ų51.260%0.625%0.252SS*.Hα-helixtrans-62.1-48.3-180-177.1179.7176.7-178.90111.8K565 C566 I567 Y571 S572 D573K565-K569 WeakPolarHBondContact O-CB 3.41Å; K565-K569 PolarHBondContact O-N 3.17Å; C566-K569 PolarHBondContact O-N 3.01Å; I567-K569 VanDerWaalsContact C-N 3.31Å; I567-K569 PolarHBondContact O-N 3.09Å; K569-Y571 VanDerWaalsContact C-N 3.34Å; K569-Y571 PolarHBondContact O-N 3.15Å; K569-S572 PolarHBondContact O-N 3.22Å; K569-D573 PolarHBondContact O-N 3.41Å
570Q97.9Very high95.8Very high22 Ų2248.9 Ų48.910%0.10324%0.241CC..Hα-helixtrans-56.9-48.6-178.5179.8-170.79.800111.4C566 I567 D573 F574 G668 N672C566-Q570 WeakPolarHBondContact O-CB 3.36Å; C566-Q570 PolarHBondContact O-N 3.13Å; I567-Q570 PolarHBondContact O-N 2.99Å; Q570-D573 PolarHBondContact O-N 2.77Å; Q570-F574 HydrophobicContact CG-CZ 4.25Å; Q570-G668 PolarHBondContact NE2-O 3.08Å; Q570-N672 PolarHBondContact NE2-ND2 3.08Å; Q570-N672 PolarHBondContact NE2-OD1 2.75Å; Q570-N672 PolarHBondContact OE1-ND2 3.28Å
571Y97.8Very high95.1Very high0 Ų057.5 Ų57.50%028%0.281CS..Hα-helixtrans-72.7-31.4-177.5-80.9-97.4000112.2I567 K569 D573 F574 L585 N594 N598 S660 Y664 S669I567-Y571 HydrophobicContact CG2-CD2 3.86Å; I567-Y571 HydrophobicContact CG2-CE2 4.03Å; I567-Y571 WeakPolarHBondContact O-CD2 3.5Å; I567-Y571 PolarHBondContact O-N 2.98Å; K569-Y571 VanDerWaalsContact C-N 3.34Å; K569-Y571 PolarHBondContact O-N 3.15Å; Y571-D573 PolarHBondContact O-N 2.84Å; Y571-F574 AromaticContact CD1-CD2 3.77Å; Y571-F574 HydrophobicContact CD1-CD2 3.77Å; Y571-F574 AromaticContact CD1-CE2 3.75Å; Y571-F574 HydrophobicContact CD1-CE2 3.75Å; Y571-F574 HydrophobicContact CD2-CE2 4.49Å; Y571-F574 HydrophobicContact CE1-CD2 4.35Å; Y571-F574 AromaticContact CE1-CE2 3.99Å; Y571-F574 HydrophobicContact CE1-CE2 3.99Å; Y571-F574 HydrophobicContact CG-CD2 4.15Å; Y571-F574 HydrophobicContact CG-CE2 4.04Å; Y571-F574 WeakPolarHBondContact O-CB 3.4Å; Y571-F574 PolarHBondContact O-N 3.42Å; Y571-F574 VanDerWaalsContact O-N 3.08Å; Y571-L585 HydrophobicContact CD1-CD1 4.23Å; Y571-L585 WeakPolarHBondContact O-CB 3.49Å; Y571-N594 HydrophobicContact CD1-CB 4.42Å; Y571-N594 VanDerWaalsContact CD1-CG 3.49Å; Y571-N594 WeakPolarHBondContact CD1-ND2 3.48Å; Y571-N594 WeakPolarHBondContact CD1-OD1 3.22Å; Y571-N594 HydrophobicContact CD2-CB 3.95Å; Y571-N594 HydrophobicContact CE1-CB 4.19Å; Y571-N594 VanDerWaalsContact CE1-CG 3.5Å; Y571-N594 VanDerWaalsContact CE1-OD1 3.22Å; Y571-N594 WeakPolarHBondContact CE1-OD1 3.28Å; Y571-N594 HydrophobicContact CE2-CB 3.66Å; Y571-N594 HydrophobicContact CG-CB 4.31Å; Y571-N598 PolarHBondContact OH-ND2 3.28Å; Y571-S660 VanDerWaalsContact CD1-OG 3.29Å; Y571-S660 WeakPolarHBondContact CD1-OG 3.42Å; Y571-Y664 WeakPolarHBondContact CE1-O 3.28Å; Y571-S669 PolarHBondContact OH-N 3.3Å
572S97.5Very high95Very high43 Ų4355.4 Ų55.430%0.30128%0.28SS..Hα-helixtrans-64.7-17.8171.2-78.80000114.7I568 K569 F574 C584 L585 G587I568-S572 WeakPolarHBondContact O-CB 3.42Å; I568-S572 PolarHBondContact O-N 3.42Å; I568-S572 PolarHBondContact O-OG 3.34Å; K569-S572 PolarHBondContact O-N 3.22Å; S572-F574 VanDerWaalsContact C-N 3.31Å; S572-C584 WeakPolarHBondContact O-CB 3.46Å; S572-L585 WeakPolarHBondContact CA-O 3.42Å; S572-G587 PolarHBondContact OG-N 2.93Å; S572-G587 VanDerWaalsContact OG-N 3.13Å
573D96.7Very high94.7Very high112 Ų11253.5 Ų53.560%0.59927%0.273SS*.THydrogen-bonded Turntrans-85-4174.7-67.3-24.7000112.4K569 Q570 Y571K569-D573 PolarHBondContact O-N 3.41Å; Q570-D573 PolarHBondContact O-N 2.77Å; Y571-D573 PolarHBondContact O-N 2.84Å
574F96.1Very high94.6Very high21 Ų2153.9 Ų53.99%0.09228%0.28CS..  trans-86.9118.3174.1-63.5-35.2000111.1Q570 Y571 S572 C584 L585 Y664 I667Q570-F574 HydrophobicContact CG-CZ 4.25Å; Y571-F574 AromaticContact CD1-CD2 3.77Å; Y571-F574 HydrophobicContact CD1-CD2 3.77Å; Y571-F574 AromaticContact CD1-CE2 3.75Å; Y571-F574 HydrophobicContact CD1-CE2 3.75Å; Y571-F574 HydrophobicContact CD2-CE2 4.49Å; Y571-F574 HydrophobicContact CE1-CD2 4.35Å; Y571-F574 AromaticContact CE1-CE2 3.99Å; Y571-F574 HydrophobicContact CE1-CE2 3.99Å; Y571-F574 HydrophobicContact CG-CD2 4.15Å; Y571-F574 HydrophobicContact CG-CE2 4.04Å; Y571-F574 WeakPolarHBondContact O-CB 3.4Å; Y571-F574 PolarHBondContact O-N 3.42Å; Y571-F574 VanDerWaalsContact O-N 3.08Å; S572-F574 VanDerWaalsContact C-N 3.31Å; F574-C584 CarbonylContact O-C 3.42Å; F574-C584 VanDerWaalsContact O-CA 3.26Å; F574-C584 WeakPolarHBondContact O-CA 3.32Å; F574-L585 HydrophobicContact CB-CD1 3.98Å; F574-L585 HydrophobicContact CB-CG 4.04Å; F574-L585 HydrophobicContact CD2-CD1 4.17Å; F574-L585 PolarHBondContact O-N 3.48Å; F574-Y664 HydrophobicContact CB-CD1 3.74Å; F574-Y664 HydrophobicContact CB-CD2 4.02Å; F574-Y664 HydrophobicContact CB-CE1 3.67Å; F574-Y664 HydrophobicContact CB-CE2 3.91Å; F574-Y664 HydrophobicContact CB-CG 3.94Å; F574-Y664 AromaticContact CD1-CD1 3.8Å; F574-Y664 HydrophobicContact CD1-CD1 3.8Å; F574-Y664 AromaticContact CD1-CE1 3.77Å; F574-Y664 HydrophobicContact CD1-CE1 3.77Å; F574-Y664 AromaticContact CD2-CD1 3.64Å; F574-Y664 HydrophobicContact CD2-CD1 3.64Å; F574-Y664 HydrophobicContact CD2-CE1 4.34Å; F574-Y664 AromaticContact CD2-CG 3.83Å; F574-Y664 HydrophobicContact CD2-CG 3.83Å; F574-Y664 HydrophobicContact CE1-CD1 4.31Å; F574-Y664 HydrophobicContact CE2-CD1 4.17Å; F574-Y664 AromaticContact CG-CD1 3.44Å; F574-Y664 HydrophobicContact CG-CD1 3.44Å; F574-Y664 VanDerWaalsContact CG-CD1 3.44Å; F574-Y664 AromaticContact CG-CE1 3.67Å; F574-Y664 HydrophobicContact CG-CE1 3.67Å; F574-Y664 AromaticContact CG-CG 3.92Å; F574-Y664 HydrophobicContact CG-CG 3.92Å; F574-Y664 HydrophobicContact CZ-CD1 4.48Å; F574-I667 HydrophobicContact CE1-CG2 4.28Å; F574-I667 HydrophobicContact CZ-CG2 4.2Å
575C96.3Very high94.6Very high31 Ų3153.9 Ų53.921%0.20928%0.281CS..EExtended strand (participates in β ladder)trans-132.2156.1-174.4-42.30000113.9P577 N582 V583 C584 Y664C575-P577 WeakPolarHBondContact O-CD 3.41Å; C575-N582 WeakPolarHBondContact CB-OD1 3.17Å; C575-V583 CarbonylContact C-O 3.53Å; C575-V583 WeakPolarHBondContact CA-O 3.44Å; C575-C584 HydrophobicContact CB-CB 3.92Å; C575-C584 WeakPolarHBondContact CB-SG 3.22Å; C575-C584 WeakPolarHBondContact SG-CB 3.43Å; C575-C584 CovalentContact SG-SG 2.04Å; C575-C584 PolarHBondContact SG-SG 3.14Å; C575-Y664 PolarHBondContact O-OH 3.05Å; C575-Y664 VanDerWaalsContact O-OH 3.05Å
576Y94.9Very high94.4Very high13 Ų1353.6 Ų53.65%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-111.995.3175.7-69.9-73.9000110.2H578 I579 V583 L585 L650 L654 P661 E663 Y664Y576-H578 AromaticContact CD1-CE1 3.58Å; Y576-H578 PolarHBondContact O-N 2.6Å; Y576-H578 VanDerWaalsContact O-N 3.08Å; Y576-I579 PolarHBondContact O-N 3.2Å; Y576-I579 VanDerWaalsContact O-N 3.11Å; Y576-V583 PolarHBondContact N-O 3.29Å; Y576-V583 PolarHBondContact O-N 3.46Å; Y576-L585 HydrophobicContact CE2-CD2 4.03Å; Y576-L650 HydrophobicContact CD1-CD2 3.86Å; Y576-L650 HydrophobicContact CD2-CD1 4.46Å; Y576-L650 HydrophobicContact CD2-CD2 4.22Å; Y576-L650 HydrophobicContact CE1-CD2 3.92Å; Y576-L650 HydrophobicContact CE2-CD1 3.94Å; Y576-L650 HydrophobicContact CE2-CD2 4.28Å; Y576-L650 HydrophobicContact CG-CD2 3.99Å; Y576-L654 HydrophobicContact CD2-CD1 3.97Å; Y576-L654 HydrophobicContact CD2-CD2 4.33Å; Y576-L654 HydrophobicContact CE2-CD1 4.43Å; Y576-L654 HydrophobicContact CE2-CD2 4.14Å; Y576-P661 HydrophobicContact CE2-CG 4.06Å; Y576-P661 VanDerWaalsContact OH-CB 3.29Å; Y576-P661 WeakPolarHBondContact OH-CB 3.45Å; Y576-P661 WeakPolarHBondContact OH-CG 3.36Å; Y576-E663 WeakPolarHBondContact CE1-OE1 3.39Å; Y576-E663 VanDerWaalsContact CZ-OE1 3.28Å; Y576-E663 PolarHBondContact OH-OE1 3.35Å; Y576-Y664 HydrophobicContact CD2-CE2 4.34Å; Y576-Y664 HydrophobicContact CE1-CE2 4.02Å; Y576-Y664 HydrophobicContact CE2-CD2 4.14Å; Y576-Y664 AromaticContact CE2-CE2 3.55Å; Y576-Y664 HydrophobicContact CE2-CE2 3.55Å; Y576-Y664 AromaticContact CZ-CD2 3.97Å; Y576-Y664 AromaticContact CZ-CE2 3.36Å; Y576-Y664 WeakPolarHBondContact OH-CD2 3.44Å; Y576-Y664 VanDerWaalsContact OH-CE2 3.24Å; Y576-Y664 WeakPolarHBondContact OH-CE2 3.31Å
577P93.3Very high94.3Very high92 Ų9252.2 Ų52.260%0.59727%0.274SS*.THydrogen-bonded Turntrans-63.2-17.4-177.4-25.435.4000115.1C575 E581C575-P577 WeakPolarHBondContact O-CD 3.41Å; P577-E581 CarbonylContact O-C 3.19Å
578H91.9Very high94.1Very high114 Ų11456 Ų5653%0.52829%0.288SS..THydrogen-bonded Turntrans-90.2-8.718060.8-82.7000113.3Y576Y576-H578 AromaticContact CD1-CE1 3.58Å; Y576-H578 PolarHBondContact O-N 2.6Å; Y576-H578 VanDerWaalsContact O-N 3.08Å
579I91.7Very high93.8Very high5 Ų555.4 Ų55.43%0.02629%0.285CS..SBendtrans-104.4122.8178.3-56-60000108.4Y576 E581 N582 V583 D647 L650 I651Y576-I579 PolarHBondContact O-N 3.2Å; Y576-I579 VanDerWaalsContact O-N 3.11Å; I579-E581 VanDerWaalsContact C-N 3.28Å; I579-E581 PolarHBondContact O-N 2.88Å; I579-E581 VanDerWaalsContact O-N 3.16Å; I579-N582 PolarHBondContact O-N 3.31Å; I579-V583 HydrophobicContact CB-CB 4.33Å; I579-V583 HydrophobicContact CB-CG2 4.39Å; I579-V583 HydrophobicContact CG2-CB 4.09Å; I579-V583 HydrophobicContact CG2-CG2 3.86Å; I579-V583 WeakPolarHBondContact O-CG2 3.45Å; I579-V583 PolarHBondContact O-N 3.31Å; I579-D647 HydrophobicContact CD1-CB 3.87Å; I579-L650 HydrophobicContact CD1-CD2 4.19Å; I579-L650 HydrophobicContact CG1-CD2 3.89Å; I579-L650 HydrophobicContact CG1-CG 4.48Å; I579-I651 HydrophobicContact CD1-CG1 4.45Å; I579-I651 HydrophobicContact CG2-CD1 4.29Å; I579-I651 HydrophobicContact CG2-CG1 3.6Å
580H86.7Confident93.7Very high41 Ų4149.1 Ų49.119%0.1926%0.258CS..THydrogen-bonded Turntrans37.153.3-177.6-41.2150.1000114N167 E169 N582 V583N167-H580 PolarHBondContact ND2-ND1 3.43Å; E169-H580 VanDerWaalsContact CD-CD2 3.43Å; E169-H580 VanDerWaalsContact CD-NE2 3.26Å; E169-H580 IonicContact OE1-CD2 2.73Å; E169-H580 PolarHBondContact OE1-CD2 3.32Å; E169-H580 VanDerWaalsContact OE1-CD2 3.31Å; E169-H580 IonicContact OE1-NE2 3.54Å; E169-H580 IonicContact OE2-CD2 2.73Å; E169-H580 PolarHBondContact OE2-CD2 3.11Å; E169-H580 VanDerWaalsContact OE2-CD2 3.26Å; E169-H580 IonicContact OE2-NE2 3.13Å; E169-H580 PolarHBondContact OE2-NE2 3.08Å; E169-H580 VanDerWaalsContact OE2-NE2 3.14Å; H580-N582 PolarHBondContact O-N 2.9Å; H580-V583 HydrophobicContact CB-CG2 3.72Å
581E83.8Confident93.6Very high189 Ų18948.1 Ų48.188%0.88325%0.254SS*.THydrogen-bonded Turntrans65.8-33.1-177.2-55.1-177.9167.300116.8P577 I579P577-E581 CarbonylContact O-C 3.19Å; I579-E581 VanDerWaalsContact C-N 3.28Å; I579-E581 PolarHBondContact O-N 2.88Å; I579-E581 VanDerWaalsContact O-N 3.16Å
582N91.6Very high93.6Very high85 Ų8548.1 Ų48.146%0.45525%0.254SS..THydrogen-bonded Turntrans-179.784.7166.5-173.244.1000111.9C575 I579 H580C575-N582 WeakPolarHBondContact CB-OD1 3.17Å; I579-N582 PolarHBondContact O-N 3.31Å; H580-N582 PolarHBondContact O-N 2.9Å
583V91.8Very high93.6Very high37 Ų3746.9 Ų46.922%0.22424%0.243CC..EExtended strand (participates in β ladder)trans-86.5127.5174.61780000111.1C575 Y576 I579 H580 L654C575-V583 CarbonylContact C-O 3.53Å; C575-V583 WeakPolarHBondContact CA-O 3.44Å; Y576-V583 PolarHBondContact N-O 3.29Å; Y576-V583 PolarHBondContact O-N 3.46Å; I579-V583 HydrophobicContact CB-CB 4.33Å; I579-V583 HydrophobicContact CB-CG2 4.39Å; I579-V583 HydrophobicContact CG2-CB 4.09Å; I579-V583 HydrophobicContact CG2-CG2 3.86Å; I579-V583 WeakPolarHBondContact O-CG2 3.45Å; I579-V583 PolarHBondContact O-N 3.31Å; H580-V583 HydrophobicContact CB-CG2 3.72Å; V583-L654 HydrophobicContact CB-CD1 4.45Å; V583-L654 HydrophobicContact CG1-CD1 3.87Å
584C94.7Very high93.7Very high50 Ų5041.5 Ų41.534%0.33821%0.214SC..EExtended strand (participates in β ladder)trans-100.2157.1174.1-51.10000111.9S572 F574 C575S572-C584 WeakPolarHBondContact O-CB 3.46Å; F574-C584 CarbonylContact O-C 3.42Å; F574-C584 VanDerWaalsContact O-CA 3.26Å; F574-C584 WeakPolarHBondContact O-CA 3.32Å; C575-C584 HydrophobicContact CB-CB 3.92Å; C575-C584 WeakPolarHBondContact CB-SG 3.22Å; C575-C584 WeakPolarHBondContact SG-CB 3.43Å; C575-C584 CovalentContact SG-SG 2.04Å; C575-C584 PolarHBondContact SG-SG 3.14Å
585L95.4Very high93.8Very high9 Ų940.6 Ų40.65%0.04721%0.21CC..PPolyproline II helixtrans-63.1145.8173.6-52.5-173.3000110.3Y571 S572 F574 Y576 G587 L654 P661 Y664Y571-L585 HydrophobicContact CD1-CD1 4.23Å; Y571-L585 WeakPolarHBondContact O-CB 3.49Å; S572-L585 WeakPolarHBondContact CA-O 3.42Å; F574-L585 HydrophobicContact CB-CD1 3.98Å; F574-L585 HydrophobicContact CB-CG 4.04Å; F574-L585 HydrophobicContact CD2-CD1 4.17Å; F574-L585 PolarHBondContact O-N 3.48Å; Y576-L585 HydrophobicContact CE2-CD2 4.03Å; L585-G587 PolarHBondContact O-N 3.41Å; L585-L654 HydrophobicContact CD2-CD2 3.22Å; L585-P661 HydrophobicContact CD2-CG 3.96Å; L585-Y664 HydrophobicContact CD1-CD2 3.8Å; L585-Y664 HydrophobicContact CD1-CG 4.13Å; L585-Y664 HydrophobicContact CD2-CD2 4.28Å; L585-Y664 HydrophobicContact CG-CD2 4.27Å
586D93.2Very high93.9Very high67 Ų6739.1 Ų39.136%0.35820%0.2SC..  trans-83.294.7164.8-172.7-21.8000108.8Y588 H589 T590D586-Y588 PolarHBondContact O-N 3.26Å; D586-Y588 WeakPolarHBondContact OD1-CA 3.45Å; D586-Y588 VanDerWaalsContact OD1-CB 3.31Å; D586-Y588 WeakPolarHBondContact OD1-CB 3.45Å; D586-Y588 PolarHBondContact OD1-N 3.18Å; D586-H589 HydrophobicContact CB-CB 3.73Å; D586-H589 PolarHBondContact O-N 2.85Å; D586-H589 PolarHBondContact OD1-N 3.16Å; D586-T590 WeakPolarHBondContact O-CG2 3.09Å; D586-T590 PolarHBondContact O-N 3.4Å; D586-T590 PolarHBondContact O-OG1 3.17Å
587G95.6Very high94Very high0 Ų038.7 Ų38.70%020%0.199CC..THydrogen-bonded Turntrans-62.4-21.4178.300000113.5I568 S572 L585 T590 Q591I568-G587 WeakPolarHBondContact CG1-O 3.43Å; S572-G587 PolarHBondContact OG-N 2.93Å; S572-G587 VanDerWaalsContact OG-N 3.13Å; L585-G587 PolarHBondContact O-N 3.41Å; G587-T590 WeakPolarHBondContact CA-OG1 3.43Å; G587-Q591 WeakPolarHBondContact O-CB 3.22Å; G587-Q591 PolarHBondContact O-N 3.17Å
588Y93.7Very high94.3Very high80 Ų8035.3 Ų35.331%0.31418%0.176SC..THydrogen-bonded Turntrans-77.9-46.1174.1-166.4-68.9000110.1Y224 I568 D586 T590 Q591Y224-Y588 HydrophobicContact CD2-CD1 4.31Å; Y224-Y588 HydrophobicContact CD2-CE1 4.45Å; Y224-Y588 WeakPolarHBondContact O-CE1 3.42Å; I568-Y588 HydrophobicContact CD1-CD2 4Å; D586-Y588 PolarHBondContact O-N 3.26Å; D586-Y588 WeakPolarHBondContact OD1-CA 3.45Å; D586-Y588 VanDerWaalsContact OD1-CB 3.31Å; D586-Y588 WeakPolarHBondContact OD1-CB 3.45Å; D586-Y588 PolarHBondContact OD1-N 3.18Å; Y588-T590 VanDerWaalsContact C-N 3.27Å; Y588-T590 PolarHBondContact O-N 3.43Å; Y588-Q591 VanDerWaalsContact CD1-NE2 3.25Å; Y588-Q591 VanDerWaalsContact CE1-NE2 3.31Å; Y588-Q591 WeakPolarHBondContact O-CG 3.25Å; Y588-Q591 PolarHBondContact O-N 3.46Å; Y588-Q591 PolarHBondContact O-NE2 2.86Å
589H91.8Very high94.6Very high14 Ų1430 Ų307%0.06515%0.152CC..THydrogen-bonded Turntrans-59.9-40176.4-175.955.1000112D586 V656 N657 E658D586-H589 HydrophobicContact CB-CB 3.73Å; D586-H589 PolarHBondContact O-N 2.85Å; D586-H589 PolarHBondContact OD1-N 3.16Å; H589-V656 PolarHBondContact NE2-O 3.42Å; H589-N657 PolarHBondContact CD2-O 3.38Å; H589-N657 VanDerWaalsContact NE2-C 3.27Å; H589-N657 PolarHBondContact NE2-O 3.05Å; H589-E658 PolarHBondContact NE2-N 3.34Å
590T95.7Very high94.9Very high7 Ų729.8 Ų29.84%0.04315%0.15CC..THydrogen-bonded Turntrans-89.53.4-175.956.50000115.1D586 G587 Y588 G592 E593 N594 E658D586-T590 WeakPolarHBondContact O-CG2 3.09Å; D586-T590 PolarHBondContact O-N 3.4Å; D586-T590 PolarHBondContact O-OG1 3.17Å; G587-T590 WeakPolarHBondContact CA-OG1 3.43Å; Y588-T590 VanDerWaalsContact C-N 3.27Å; Y588-T590 PolarHBondContact O-N 3.43Å; T590-G592 PolarHBondContact O-N 2.94Å; T590-E593 PolarHBondContact O-N 2.85Å; T590-N594 WeakPolarHBondContact CB-ND2 3.09Å; T590-N594 WeakPolarHBondContact O-CB 3.31Å; T590-N594 PolarHBondContact O-N 3.29Å; T590-N594 PolarHBondContact O-ND2 2.95Å; T590-N594 PolarHBondContact O-OD1 3.28Å; T590-N594 PolarHBondContact OG1-ND2 3.02Å; T590-E658 WeakPolarHBondContact CA-O 3.3Å; T590-E658 WeakPolarHBondContact CB-O 3.48Å; T590-E658 WeakPolarHBondContact CG2-O 3.3Å
591Q96Very high95.4Very high1 Ų127.9 Ų27.91%0.00514%0.142CC..Hα-helixtrans-61.6-38.8-165.478.3-170.7-86.400114.3D537 I568 G587 Y588 N594 I595D537-Q591 HydrophobicContact CB-CG 4.19Å; I568-Q591 HydrophobicContact CD1-CB 4.45Å; I568-Q591 HydrophobicContact CG1-CB 3.9Å; G587-Q591 WeakPolarHBondContact O-CB 3.22Å; G587-Q591 PolarHBondContact O-N 3.17Å; Y588-Q591 VanDerWaalsContact CD1-NE2 3.25Å; Y588-Q591 VanDerWaalsContact CE1-NE2 3.31Å; Y588-Q591 WeakPolarHBondContact O-CG 3.25Å; Y588-Q591 PolarHBondContact O-N 3.46Å; Y588-Q591 PolarHBondContact O-NE2 2.86Å; Q591-N594 PolarHBondContact O-N 3.21Å; Q591-I595 WeakPolarHBondContact O-CB 3.24Å; Q591-I595 WeakPolarHBondContact O-CD1 3.23Å; Q591-I595 WeakPolarHBondContact O-CG1 3.34Å; Q591-I595 PolarHBondContact O-N 3.02Å
592G96.3Very high96.1Very high0 Ų021.6 Ų21.60%011%0.112CC..Hα-helixtrans-63.4-52-178.200000111.3D537 T590 N594 I595 A596D537-G592 WeakPolarHBondContact OD1-CA 3.47Å; D537-G592 PolarHBondContact OD1-N 2.89Å; T590-G592 PolarHBondContact O-N 2.94Å; G592-N594 VanDerWaalsContact C-N 3.33Å; G592-N594 PolarHBondContact O-N 3.24Å; G592-I595 PolarHBondContact O-N 3.41Å; G592-A596 WeakPolarHBondContact O-CB 3.24Å; G592-A596 PolarHBondContact O-N 2.9Å
593E97.8Very high96.4Very high16 Ų1617.6 Ų17.68%0.0759%0.09CC..Hα-helixtrans-59.4-42.4176.1-59.1-53.3140.300112.5H529 H533 T590 I595 A596 D597 E658 H659 R665H529-E593 IonicContact CE1-OE2 3Å; H529-E593 PolarHBondContact CE1-OE2 3.48Å; H529-E593 VanDerWaalsContact CE1-OE2 3.22Å; H529-E593 IonicContact NE2-OE2 3.35Å; H529-E593 PolarHBondContact NE2-OE2 3.4Å; H533-E593 IonicContact CE1-OE1 2.77Å; H533-E593 PolarHBondContact CE1-OE1 3.39Å; H533-E593 VanDerWaalsContact CE1-OE1 3.25Å; H533-E593 IonicContact CE1-OE2 2.72Å; H533-E593 IonicContact NE2-OE1 2.67Å; H533-E593 IonicContact NE2-OE2 2.8Å; T590-E593 PolarHBondContact O-N 2.85Å; E593-I595 PolarHBondContact O-N 2.86Å; E593-A596 PolarHBondContact O-N 3.29Å; E593-D597 VanDerWaalsContact O-CG 3.29Å; E593-D597 PolarHBondContact O-N 3.39Å; E593-E658 HydrophobicContact CG-CB 4.47Å; E593-E658 HydrophobicContact CG-CG 3.96Å; E593-E658 WeakPolarHBondContact CG-O 3.44Å; E593-H659 HydrophobicContact CG-CB 4.42Å; E593-H659 VanDerWaalsContact CG-CD2 3.47Å; E593-H659 WeakPolarHBondContact CG-CD2 3.39Å; E593-H659 IonicContact OE1-NE2 3.8Å; E593-H659 IonicContact OE2-CD2 2.73Å; E593-H659 PolarHBondContact OE2-CD2 2.84Å; E593-H659 IonicContact OE2-NE2 3.62Å; E593-H659 PolarHBondContact OE2-NE2 3.24Å; E593-R665 IonicContact OE2-NH2 2.62Å
594N98.4Very high96.7Very high0 Ų015.9 Ų15.90%08%0.08CC..Hα-helixtrans-67.4-37.8179.1-63.8-24.1000111.8I567 Y571 T590 Q591 G592 N598 S660I567-N594 HydrophobicContact CG2-CB 3.56Å; Y571-N594 HydrophobicContact CD1-CB 4.42Å; Y571-N594 VanDerWaalsContact CD1-CG 3.49Å; Y571-N594 WeakPolarHBondContact CD1-ND2 3.48Å; Y571-N594 WeakPolarHBondContact CD1-OD1 3.22Å; Y571-N594 HydrophobicContact CD2-CB 3.95Å; Y571-N594 HydrophobicContact CE1-CB 4.19Å; Y571-N594 VanDerWaalsContact CE1-CG 3.5Å; Y571-N594 VanDerWaalsContact CE1-OD1 3.22Å; Y571-N594 WeakPolarHBondContact CE1-OD1 3.28Å; Y571-N594 HydrophobicContact CE2-CB 3.66Å; Y571-N594 HydrophobicContact CG-CB 4.31Å; T590-N594 WeakPolarHBondContact CB-ND2 3.09Å; T590-N594 WeakPolarHBondContact O-CB 3.31Å; T590-N594 PolarHBondContact O-N 3.29Å; T590-N594 PolarHBondContact O-ND2 2.95Å; T590-N594 PolarHBondContact O-OD1 3.28Å; T590-N594 PolarHBondContact OG1-ND2 3.02Å; Q591-N594 PolarHBondContact O-N 3.21Å; G592-N594 VanDerWaalsContact C-N 3.33Å; G592-N594 PolarHBondContact O-N 3.24Å; N594-N598 WeakPolarHBondContact O-CB 3.24Å; N594-N598 PolarHBondContact O-N 3.21Å; N594-N598 PolarHBondContact O-ND2 3.03Å; N594-S660 WeakPolarHBondContact OD1-CB 3.43Å; N594-S660 PolarHBondContact OD1-OG 2.97Å
595I98.4Very high96.9Very high1 Ų113.7 Ų13.71%0.0057%0.065CC..Hα-helixtrans-63.1-46.4173.7-70163.7000109.4T532 D536 K564 I567 Q591 G592 E593 N598 A599 V696T532-I595 HydrophobicContact CG2-CG2 4.05Å; D536-I595 HydrophobicContact CB-CB 4.47Å; D536-I595 HydrophobicContact CB-CG2 4.3Å; K564-I595 HydrophobicContact CB-CD1 3.99Å; I567-I595 HydrophobicContact CG1-CG1 4.49Å; I567-I595 HydrophobicContact CG2-CG1 4.43Å; Q591-I595 WeakPolarHBondContact O-CB 3.24Å; Q591-I595 WeakPolarHBondContact O-CD1 3.23Å; Q591-I595 WeakPolarHBondContact O-CG1 3.34Å; Q591-I595 PolarHBondContact O-N 3.02Å; G592-I595 PolarHBondContact O-N 3.41Å; E593-I595 PolarHBondContact O-N 2.86Å; I595-N598 PolarHBondContact O-N 3.44Å; I595-A599 PolarHBondContact O-N 3.39Å; I595-A599 VanDerWaalsContact O-N 3.14Å; I595-V696 HydrophobicContact CG1-CG2 4.32Å; I595-V696 HydrophobicContact CG2-CG1 4.41Å
596A98.5Very high97.1Very high0 Ų014.1 Ų14.10%07%0.069CC..Hα-helixtrans-62.7-41.7-18000000112.9H529 T532 G592 E593 G600H529-A596 VanDerWaalsContact CE1-CB 3.41Å; H529-A596 WeakPolarHBondContact CE1-CB 3.35Å; H529-A596 VanDerWaalsContact ND1-CB 3.31Å; H529-A596 WeakPolarHBondContact ND1-CB 3.11Å; T532-A596 HydrophobicContact CG2-CB 4.24Å; G592-A596 WeakPolarHBondContact O-CB 3.24Å; G592-A596 PolarHBondContact O-N 2.9Å; E593-A596 PolarHBondContact O-N 3.29Å; A596-G600 WeakPolarHBondContact O-CA 3.45Å; A596-G600 PolarHBondContact O-N 2.89Å
597D98.6Very high97.3Very high4 Ų411 Ų112%0.0215%0.052CC..Hα-helixtrans-63.2-43.9175.4-72.8-21.9000113.4H529 E593 V601 R665 S669H529-D597 IonicContact CE1-OD1 3.56Å; H529-D597 PolarHBondContact CE1-OD1 3.09Å; H529-D597 VanDerWaalsContact CE1-OD1 3.3Å; H529-D597 PolarHBondContact ND1-N 3.24Å; H529-D597 IonicContact ND1-OD1 2.74Å; H529-D597 PolarHBondContact ND1-OD1 3.12Å; E593-D597 VanDerWaalsContact O-CG 3.29Å; E593-D597 PolarHBondContact O-N 3.39Å; D597-V601 WeakPolarHBondContact O-CG1 3.41Å; D597-V601 PolarHBondContact O-N 3.04Å; D597-R665 IonicContact OD1-CZ 2.81Å; D597-R665 IonicContact OD1-NE 3.65Å; D597-R665 PolarHBondContact OD1-NE 3.22Å; D597-R665 IonicContact OD1-NH2 3.54Å; D597-R665 PolarHBondContact OD1-NH2 2.68Å; D597-R665 WeakPolarHBondContact OD2-CB 3.48Å; D597-R665 VanDerWaalsContact OD2-CG 3.29Å; D597-R665 WeakPolarHBondContact OD2-CG 3.49Å; D597-R665 IonicContact OD2-CZ 3.06Å; D597-R665 IonicContact OD2-NE 2.69Å; D597-R665 PolarHBondContact OD2-NE 2.92Å; D597-R665 IonicContact OD2-NH2 2.72Å; D597-R665 PolarHBondContact OD2-NH2 3.36Å; D597-S669 VanDerWaalsContact CB-OG 3.3Å; D597-S669 WeakPolarHBondContact CB-OG 3.44Å
598N98.5Very high97.4Very high21 Ų2111.3 Ų11.311%0.1125%0.054CC..Hα-helixtrans-65.8-44.2-176.1-87.9-95.1000111.6Y571 N594 I595 V601 S669 N672Y571-N598 PolarHBondContact OH-ND2 3.28Å; N594-N598 WeakPolarHBondContact O-CB 3.24Å; N594-N598 PolarHBondContact O-N 3.21Å; N594-N598 PolarHBondContact O-ND2 3.03Å; I595-N598 PolarHBondContact O-N 3.44Å; N598-V601 WeakPolarHBondContact O-CG1 3.5Å; N598-S669 WeakPolarHBondContact OD1-CA 3.5Å; N598-N672 VanDerWaalsContact OD1-CB 3.28Å; N598-N672 WeakPolarHBondContact OD1-CB 3.37Å; N598-N672 PolarHBondContact OD1-ND2 3.04Å
599A97.9Very high97.6Very high3 Ų311.5 Ų11.53%0.0256%0.058CC..Hα-helixtrans-76.7-41178.300000111.6T532 I595 V601 K602 E603 W697T532-A599 HydrophobicContact CG2-CB 3.64Å; T532-A599 VanDerWaalsContact OG1-CB 3.22Å; T532-A599 WeakPolarHBondContact OG1-CB 3.43Å; I595-A599 PolarHBondContact O-N 3.39Å; I595-A599 VanDerWaalsContact O-N 3.14Å; A599-V601 PolarHBondContact O-N 2.97Å; A599-K602 CarbonylContact O-C 2.86Å; A599-K602 WeakPolarHBondContact O-CA 3.22Å; A599-K602 WeakPolarHBondContact O-CB 3.46Å; A599-K602 PolarHBondContact O-N 2.93Å; A599-E603 WeakPolarHBondContact O-CG 3.49Å; A599-E603 PolarHBondContact O-N 3.25Å; A599-W697 HydrophobicContact CB-CB 3.78Å; A599-W697 HydrophobicContact CB-CG 4.3Å
600G98.2Very high97.9Very high0 Ų014.6 Ų14.60%07%0.069CC..Hα-helixtrans-59-42.8-178.200000113.5A596 K602 A604A596-G600 WeakPolarHBondContact O-CA 3.45Å; A596-G600 PolarHBondContact O-N 2.89Å; G600-K602 VanDerWaalsContact C-N 3.35Å; G600-K602 PolarHBondContact O-N 2.98Å; G600-A604 WeakPolarHBondContact O-CB 3.47Å; G600-A604 PolarHBondContact O-N 3.25Å
601V98.2Very high98Very high2 Ų215.8 Ų15.81%0.0127%0.073CC..Hα-helixtrans-68-33.7175.270.30000112.6D597 N598 A599 F605 F633 F634 F637D597-V601 WeakPolarHBondContact O-CG1 3.41Å; D597-V601 PolarHBondContact O-N 3.04Å; N598-V601 WeakPolarHBondContact O-CG1 3.5Å; A599-V601 PolarHBondContact O-N 2.97Å; V601-F605 WeakPolarHBondContact O-CB 3.28Å; V601-F605 PolarHBondContact O-N 3.21Å; V601-F633 HydrophobicContact CG2-CE1 4.07Å; V601-F633 HydrophobicContact CG2-CZ 4.39Å; V601-F634 HydrophobicContact CG2-CE1 4.48Å; V601-F637 HydrophobicContact CB-CD2 4.04Å; V601-F637 HydrophobicContact CB-CE2 3.84Å; V601-F637 HydrophobicContact CB-CZ 4.14Å; V601-F637 HydrophobicContact CG2-CB 4.3Å; V601-F637 HydrophobicContact CG2-CD1 3.99Å; V601-F637 HydrophobicContact CG2-CD2 3.69Å; V601-F637 HydrophobicContact CG2-CE1 4.22Å; V601-F637 HydrophobicContact CG2-CE2 3.94Å; V601-F637 HydrophobicContact CG2-CG 3.71Å; V601-F637 HydrophobicContact CG2-CZ 4.2Å
602K98Very high98.1Very high57 Ų5717.5 Ų17.525%0.2488%0.083CC..Hα-helixtrans-69-47.4176.7175.8-175.1173.9-171.40111I385 A599 G600 A604 F605 A606 W697I385-K602 HydrophobicContact CD1-CD 4.35Å; I385-K602 HydrophobicContact CD1-CG 4.15Å; A599-K602 CarbonylContact O-C 2.86Å; A599-K602 WeakPolarHBondContact O-CA 3.22Å; A599-K602 WeakPolarHBondContact O-CB 3.46Å; A599-K602 PolarHBondContact O-N 2.93Å; G600-K602 VanDerWaalsContact C-N 3.35Å; G600-K602 PolarHBondContact O-N 2.98Å; K602-A604 VanDerWaalsContact C-N 3.34Å; K602-F605 PolarHBondContact O-N 3.41Å; K602-A606 PolarHBondContact O-N 3.45Å; K602-W697 PolarHBondContact NZ-O 2.96Å; K602-W697 PolarHBondContact NZ-OXT 2.88Å
603E97.9Very high98.2Very high1 Ų120.9 Ų20.91%0.00512%0.117CC..Hα-helixtrans-59.9-44.6175-73.3168.6-144.500111.7F382 I385 G528 T532 A599 F605 A606 G607F382-E603 HydrophobicContact CB-CG 4.28Å; F382-E603 HydrophobicContact CD2-CG 3.9Å; F382-E603 WeakPolarHBondContact CD2-OE1 3.48Å; F382-E603 VanDerWaalsContact CE2-OE1 3.32Å; F382-E603 WeakPolarHBondContact CE2-OE1 3.43Å; I385-E603 HydrophobicContact CD1-CG 3.74Å; G528-E603 WeakPolarHBondContact CA-OE2 3.29Å; T532-E603 PolarHBondContact OG1-OE1 3.35Å; A599-E603 WeakPolarHBondContact O-CG 3.49Å; A599-E603 PolarHBondContact O-N 3.25Å; E603-F605 VanDerWaalsContact C-N 3.34Å; E603-F605 PolarHBondContact O-N 3.15Å; E603-A606 PolarHBondContact O-N 2.94Å; E603-G607 PolarHBondContact O-N 3.32Å
604A98.6Very high98.1Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-63.7-38.7178.500000112.5L378 G524 G600 K602 G607 Y608 F633L378-A604 HydrophobicContact CD2-CB 4.38Å; G524-A604 VanDerWaalsContact C-CB 3.43Å; G600-A604 WeakPolarHBondContact O-CB 3.47Å; G600-A604 PolarHBondContact O-N 3.25Å; K602-A604 VanDerWaalsContact C-N 3.34Å; A604-G607 PolarHBondContact O-N 2.88Å; A604-Y608 WeakPolarHBondContact O-CB 3.26Å; A604-Y608 PolarHBondContact O-N 2.73Å; A604-F633 HydrophobicContact CB-CE2 4.01Å; A604-F633 HydrophobicContact CB-CZ 3.82Å
605F98.6Very high98Very high5 Ų531.9 Ų31.92%0.02216%0.163CC..Hα-helixtrans-66.7-45.5176.2-173.2-108.2000111.5V601 K602 E603 G607 Y608 Q609 E630 F633 F634 D675V601-F605 WeakPolarHBondContact O-CB 3.28Å; V601-F605 PolarHBondContact O-N 3.21Å; K602-F605 PolarHBondContact O-N 3.41Å; E603-F605 VanDerWaalsContact C-N 3.34Å; E603-F605 PolarHBondContact O-N 3.15Å; F605-G607 VanDerWaalsContact C-N 3.29Å; F605-G607 PolarHBondContact O-N 3.47Å; F605-Y608 WeakPolarHBondContact O-CB 3.4Å; F605-Y608 PolarHBondContact O-N 3.31Å; F605-Q609 HydrophobicContact CE1-CG 4.21Å; F605-Q609 VanDerWaalsContact CE1-NE2 3.26Å; F605-Q609 HydrophobicContact CZ-CG 4.39Å; F605-Q609 WeakPolarHBondContact O-CG 3.44Å; F605-Q609 PolarHBondContact O-N 3.36Å; F605-E630 HydrophobicContact CE2-CB 3.91Å; F605-E630 HydrophobicContact CE2-CG 4Å; F605-E630 HydrophobicContact CZ-CB 4.2Å; F605-E630 HydrophobicContact CZ-CG 4.03Å; F605-F633 VanDerWaalsContact CA-CZ 3.46Å; F605-F633 HydrophobicContact CB-CD1 4.42Å; F605-F633 HydrophobicContact CB-CE1 3.72Å; F605-F633 HydrophobicContact CB-CE2 4.3Å; F605-F633 HydrophobicContact CB-CZ 3.67Å; F605-F633 AromaticContact CD2-CD1 3.54Å; F605-F633 HydrophobicContact CD2-CD1 3.54Å; F605-F633 HydrophobicContact CD2-CD2 4.35Å; F605-F633 AromaticContact CD2-CE1 3.74Å; F605-F633 HydrophobicContact CD2-CE1 3.74Å; F605-F633 HydrophobicContact CD2-CE2 4.47Å; F605-F633 AromaticContact CD2-CG 3.92Å; F605-F633 HydrophobicContact CD2-CG 3.92Å; F605-F633 HydrophobicContact CD2-CZ 4.22Å; F605-F633 HydrophobicContact CE2-CD1 4.32Å; F605-F633 HydrophobicContact CG-CD1 4.43Å; F605-F633 HydrophobicContact CG-CE1 4.19Å; F605-F633 HydrophobicContact CG-CZ 4.47Å; F605-F633 VanDerWaalsContact N-CZ 3.26Å; F605-F634 HydrophobicContact CD2-CE2 4.03Å; F605-F634 AromaticContact CD2-CZ 3.8Å; F605-F634 HydrophobicContact CD2-CZ 3.8Å; F605-F634 AromaticContact CE2-CE2 3.8Å; F605-F634 HydrophobicContact CE2-CE2 3.8Å; F605-F634 AromaticContact CE2-CZ 3.98Å; F605-F634 HydrophobicContact CE2-CZ 3.98Å; F605-F634 HydrophobicContact CG-CZ 4.1Å; F605-F634 HydrophobicContact CZ-CE2 4.31Å; F605-F634 HydrophobicContact CZ-CZ 4.45Å; F605-D675 HydrophobicContact CD1-CB 3.54Å; F605-D675 HydrophobicContact CE1-CB 3.48Å; F605-D675 VanDerWaalsContact CE1-CB 3.48Å; F605-D675 HydrophobicContact CG-CB 4.32Å; F605-D675 HydrophobicContact CZ-CB 4.22Å
606A98.2Very high97.9Very high18 Ų1833.2 Ų33.215%0.14918%0.176CC..Hα-helixtrans-62.8-3617400000112.3K602 E603 Q609 R610K602-A606 PolarHBondContact O-N 3.45Å; E603-A606 PolarHBondContact O-N 2.94Å; A606-Q609 PolarHBondContact O-N 3.22Å; A606-R610 WeakPolarHBondContact O-CG 3.36Å; A606-R610 PolarHBondContact O-N 3.36Å
607G98.4Very high97.8Very high0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-64.6-41.8173.700000112.3S381 E603 A604 F605 R610 Y611S381-G607 WeakPolarHBondContact OG-CA 3.33Å; S381-G607 PolarHBondContact OG-N 3.31Å; E603-G607 PolarHBondContact O-N 3.32Å; A604-G607 PolarHBondContact O-N 2.88Å; F605-G607 VanDerWaalsContact C-N 3.29Å; F605-G607 PolarHBondContact O-N 3.47Å; G607-R610 WeakPolarHBondContact O-CB 3.28Å; G607-R610 PolarHBondContact O-N 3Å; G607-Y611 PolarHBondContact O-N 3.21Å
608Y98.4Very high97.7Very high8 Ų840.3 Ų40.33%0.03122%0.22CC..Hα-helixtrans-62.2-44.7173.4176.3-119000111.9K516 A517 Y520 A604 F605 R610 Y611 V612 E618 M629 F633K516-Y608 HydrophobicContact CB-CE2 4.4Å; A517-Y608 VanDerWaalsContact CA-CE2 3.49Å; A517-Y608 HydrophobicContact CB-CE1 4.27Å; A517-Y608 HydrophobicContact CB-CE2 3.88Å; A517-Y608 VanDerWaalsContact N-CE2 3.33Å; Y520-Y608 AromaticContact CD2-CD2 3.86Å; Y520-Y608 HydrophobicContact CD2-CD2 3.86Å; Y520-Y608 HydrophobicContact CG-CD2 4.2Å; Y520-Y608 HydrophobicContact CG-CG 4.48Å; A604-Y608 WeakPolarHBondContact O-CB 3.26Å; A604-Y608 PolarHBondContact O-N 2.73Å; F605-Y608 WeakPolarHBondContact O-CB 3.4Å; F605-Y608 PolarHBondContact O-N 3.31Å; Y608-R610 VanDerWaalsContact C-N 3.31Å; Y608-R610 PolarHBondContact O-N 3.47Å; Y608-Y611 WeakPolarHBondContact O-CB 3.41Å; Y608-Y611 PolarHBondContact O-N 3.44Å; Y608-Y611 VanDerWaalsContact O-N 3.11Å; Y608-V612 HydrophobicContact CD2-CG2 4.19Å; Y608-V612 HydrophobicContact CE1-CG2 3.99Å; Y608-V612 HydrophobicContact CE2-CG2 3.61Å; Y608-V612 VanDerWaalsContact CZ-CG2 3.5Å; Y608-V612 WeakPolarHBondContact O-CG2 3.34Å; Y608-V612 PolarHBondContact O-N 3.11Å; Y608-E618 WeakPolarHBondContact CE2-OE2 3.43Å; Y608-E618 PolarHBondContact OH-OE2 3.45Å; Y608-M629 WeakPolarHBondContact OH-CB 3.31Å; Y608-F633 HydrophobicContact CD1-CD2 4.37Å; Y608-F633 HydrophobicContact CG-CD2 4.26Å
609Q98Very high97.5Very high84 Ų8444.5 Ų44.539%0.39325%0.248SC..Hα-helixtrans-61.7-38.6176.5-71.2-179.3-37.500112.1F605 A606 V612 G613F605-Q609 HydrophobicContact CE1-CG 4.21Å; F605-Q609 VanDerWaalsContact CE1-NE2 3.26Å; F605-Q609 HydrophobicContact CZ-CG 4.39Å; F605-Q609 WeakPolarHBondContact O-CG 3.44Å; F605-Q609 PolarHBondContact O-N 3.36Å; A606-Q609 PolarHBondContact O-N 3.22Å; Q609-V612 PolarHBondContact O-N 3.36Å; Q609-G613 PolarHBondContact O-N 3.35Å
610R97.5Very high97.4Very high79 Ų7950.5 Ų50.530%0.29827%0.27SS..Hα-helixtrans-62-42.4171.5-77.4179.5170.467.36.2112.3S381 T384 A606 G607 Y608 G613 R614S381-R610 WeakPolarHBondContact OG-CD 3.42Å; S381-R610 PolarHBondContact OG-NH1 3.43Å; T384-R610 PolarHBondContact OG1-NH2 2.78Å; A606-R610 WeakPolarHBondContact O-CG 3.36Å; A606-R610 PolarHBondContact O-N 3.36Å; G607-R610 WeakPolarHBondContact O-CB 3.28Å; G607-R610 PolarHBondContact O-N 3Å; Y608-R610 VanDerWaalsContact C-N 3.31Å; Y608-R610 PolarHBondContact O-N 3.47Å; R610-G613 PolarHBondContact O-N 3.3Å; R610-R614 PolarHBondContact O-N 3.42Å
611Y97.9Very high97.2Very high32 Ų3252 Ų5213%0.12528%0.278CS..Hα-helixtrans-59.1-50.1174.9175.3-86.1000111K516 Y520 G607 Y608 G613 R614 H615K516-Y611 HydrophobicContact CB-CD1 3.99Å; K516-Y611 HydrophobicContact CB-CE1 3.77Å; K516-Y611 HydrophobicContact CD-CE2 4.48Å; K516-Y611 HydrophobicContact CG-CD1 4.23Å; K516-Y611 HydrophobicContact CG-CE1 3.58Å; K516-Y611 HydrophobicContact CG-CE2 4.03Å; K516-Y611 VanDerWaalsContact CG-CZ 3.48Å; Y520-Y611 HydrophobicContact CE2-CD2 4.14Å; Y520-Y611 AromaticContact CE2-CG 3.91Å; Y520-Y611 HydrophobicContact CE2-CG 3.91Å; G607-Y611 PolarHBondContact O-N 3.21Å; Y608-Y611 WeakPolarHBondContact O-CB 3.41Å; Y608-Y611 PolarHBondContact O-N 3.44Å; Y608-Y611 VanDerWaalsContact O-N 3.11Å; Y611-G613 VanDerWaalsContact C-N 3.32Å; Y611-G613 PolarHBondContact O-N 3.13Å; Y611-R614 PolarHBondContact O-N 3.14Å; Y611-R614 VanDerWaalsContact O-N 3.1Å; Y611-H615 HydrophobicContact CD1-CB 4.49Å; Y611-H615 AromaticContact CD2-CE1 3.81Å; Y611-H615 AromaticContact CD2-ND1 3.38Å; Y611-H615 WeakPolarHBondContact CD2-ND1 3.42Å; Y611-H615 HydrophobicContact CE1-CB 3.91Å; Y611-H615 HydrophobicContact CE2-CB 4.35Å; Y611-H615 AromaticContact CE2-CE1 3.59Å; Y611-H615 AromaticContact CE2-CG 3.76Å; Y611-H615 AromaticContact CE2-ND1 3.24Å; Y611-H615 WeakPolarHBondContact CE2-ND1 3.38Å; Y611-H615 AromaticContact CG-ND1 3.91Å; Y611-H615 AromaticContact CZ-CG 3.69Å; Y611-H615 AromaticContact CZ-ND1 3.63Å; Y611-H615 PolarHBondContact O-N 2.99Å; Y611-H615 PolarHBondContact O-ND1 3.37Å
612V98Very high96.8Very high37 Ų3756.9 Ų56.922%0.22431%0.309CS..Hα-helixtrans-61.7-38.8177.9170.50000111.7Y608 Q609 R614 G616Y608-V612 HydrophobicContact CD2-CG2 4.19Å; Y608-V612 HydrophobicContact CE1-CG2 3.99Å; Y608-V612 HydrophobicContact CE2-CG2 3.61Å; Y608-V612 VanDerWaalsContact CZ-CG2 3.5Å; Y608-V612 WeakPolarHBondContact O-CG2 3.34Å; Y608-V612 PolarHBondContact O-N 3.11Å; Q609-V612 PolarHBondContact O-N 3.36Å; V612-R614 PolarHBondContact O-N 3.46Å; V612-G616 CarbonylContact O-C 3.34Å; V612-G616 WeakPolarHBondContact O-CA 3.05Å; V612-G616 PolarHBondContact O-N 3Å
613G97.3Very high96.3Very high70 Ų7059.1 Ų59.172%0.72233%0.332SS*.Hα-helixtrans-61.6-29.5175.600000113.6Q609 R610 Y611Q609-G613 PolarHBondContact O-N 3.35Å; R610-G613 PolarHBondContact O-N 3.3Å; Y611-G613 VanDerWaalsContact C-N 3.32Å; Y611-G613 PolarHBondContact O-N 3.13Å
614R96.6Very high95.9Very high144 Ų14460.5 Ų60.554%0.54334%0.34SS..Hα-helixtrans-91-37.6178.7-68.4-172.6-63.414919.1113.6E373 N377 R610 Y611 V612E373-R614 IonicContact OE1-CZ 3.64Å; E373-R614 IonicContact OE1-NH1 3.53Å; E373-R614 IonicContact OE1-NH2 2.69Å; E373-R614 PolarHBondContact OE1-NH2 3.43Å; N377-R614 PolarHBondContact ND2-NH2 3.48Å; N377-R614 PolarHBondContact OD1-NH2 2.8Å; R610-R614 PolarHBondContact O-N 3.42Å; Y611-R614 PolarHBondContact O-N 3.14Å; Y611-R614 VanDerWaalsContact O-N 3.1Å; V612-R614 PolarHBondContact O-N 3.46Å
615H96.1Very high95.6Very high104 Ų10465.7 Ų65.748%0.48136%0.364SS..Hα-helixtrans-107.2-7.3-171.7-6295.4000114.3E373 Y611E373-H615 IonicContact OE1-CE1 3.35Å; E373-H615 PolarHBondContact OE1-CE1 3.33Å; Y611-H615 HydrophobicContact CD1-CB 4.49Å; Y611-H615 AromaticContact CD2-CE1 3.81Å; Y611-H615 AromaticContact CD2-ND1 3.38Å; Y611-H615 WeakPolarHBondContact CD2-ND1 3.42Å; Y611-H615 HydrophobicContact CE1-CB 3.91Å; Y611-H615 HydrophobicContact CE2-CB 4.35Å; Y611-H615 AromaticContact CE2-CE1 3.59Å; Y611-H615 AromaticContact CE2-CG 3.76Å; Y611-H615 AromaticContact CE2-ND1 3.24Å; Y611-H615 WeakPolarHBondContact CE2-ND1 3.38Å; Y611-H615 AromaticContact CG-ND1 3.91Å; Y611-H615 AromaticContact CZ-CG 3.69Å; Y611-H615 AromaticContact CZ-ND1 3.63Å; Y611-H615 PolarHBondContact O-N 2.99Å; Y611-H615 PolarHBondContact O-ND1 3.37Å
616G96.9Very high95.3Very high28 Ų2870.5 Ų70.529%0.28939%0.386SS..  trans86.7170.9-173.600000113.4V612V612-G616 CarbonylContact O-C 3.34Å; V612-G616 WeakPolarHBondContact O-CA 3.05Å; V612-G616 PolarHBondContact O-N 3Å
617P95.6Very high95Very high119 Ų11971.1 Ų71.177%0.77339%0.385SS*.PPolyproline II helixtrans-70.1143.9-179.829.7-34.9000112
618E96Very high94.9Very high35 Ų3572.2 Ų72.216%0.16439%0.393CS..PPolyproline II helixtrans-80.1148.4174.5-63.9-175.995.400112.1P515 K516 A517 Y608 M629P515-E618 VanDerWaalsContact CA-OE1 3.28Å; P515-E618 WeakPolarHBondContact CA-OE1 3.22Å; K516-E618 PolarHBondContact N-OE1 3.48Å; A517-E618 PolarHBondContact N-OE2 2.96Å; Y608-E618 WeakPolarHBondContact CE2-OE2 3.43Å; Y608-E618 PolarHBondContact OH-OE2 3.45Å; E618-M629 HydrophobicContact CB-CE 4.11Å; E618-M629 HydrophobicContact CB-CG 4.16Å
619P95.8Very high94.9Very high109 Ų10972.4 Ų72.471%0.70839%0.394SS*.PPolyproline II helixtrans-64.1148.9172.828.4-34.5000111.2M629P619-M629 VanDerWaalsContact O-SD 3.33Å
620R95.1Very high94.9Very high129 Ų12972 Ų7249%0.48739%0.392SS..PPolyproline II helixtrans-62.4147.7173.9-61.2-65.3177.8121.31.3110.5Y627 S628R620-Y627 VanDerWaalsContact CD-O 3.28Å; R620-Y627 WeakPolarHBondContact CD-O 3.41Å; R620-Y627 PolarHBondContact NH1-O 3.39Å; R620-S628 VanDerWaalsContact CZ-CB 3.48Å; R620-S628 VanDerWaalsContact NH1-CA 3.33Å; R620-S628 VanDerWaalsContact NH1-CB 3.28Å
621L93.5Very high94.8Very high32 Ų3269.8 Ų69.817%0.16839%0.385CS..PPolyproline II helixtrans-73.2133.6179-75-178.5000111.9M1 P515 I518 S623 L624 E625 M629 V632M1-L621 HydrophobicContact CE-CD1 3.42Å; M1-L621 VanDerWaalsContact CE-CD1 3.42Å; P515-L621 HydrophobicContact CG-CD2 3.6Å; P515-L621 HydrophobicContact CG-CG 4.5Å; I518-L621 HydrophobicContact CD1-CD1 4.21Å; L621-S623 PolarHBondContact O-N 3.04Å; L621-L624 HydrophobicContact CB-CB 4.06Å; L621-L624 HydrophobicContact CD1-CD1 4.3Å; L621-L624 CarbonylContact O-C 3.36Å; L621-L624 PolarHBondContact O-N 2.88Å; L621-L624 VanDerWaalsContact O-N 3.09Å; L621-E625 PolarHBondContact O-N 3.2Å; L621-M629 HydrophobicContact CG-CE 4.47Å; L621-M629 HydrophobicContact CG-SD 4.41Å; L621-V632 HydrophobicContact CD1-CG1 3.8Å; L621-V632 HydrophobicContact CD1-CG2 3.94Å
622P91.3Very high94.7Very high103 Ų10368.2 Ų68.267%0.66938%0.379SS*.THydrogen-bonded Turntrans-55.1138.4170.7-25.734.7000111.9L624 E625P622-L624 PolarHBondContact O-N 3.38Å; P622-E625 VanDerWaalsContact CA-OE1 3.28Å; P622-E625 WeakPolarHBondContact CA-OE1 3.37Å
623S86.8Confident94.7Very high104 Ų10466.5 Ų66.573%0.72737%0.368SS*.THydrogen-bonded Turntrans64.64.3-174.9-49.70000116.2L621 E625L621-S623 PolarHBondContact O-N 3.04Å; S623-E625 VanDerWaalsContact C-OE2 3.31Å; S623-E625 WeakPolarHBondContact CA-OE2 3.34Å; S623-E625 PolarHBondContact N-OE1 3.4Å; S623-E625 PolarHBondContact N-OE2 3.16Å
624L89.4Confident94.7Very high31 Ų3163.2 Ų63.216%0.16233%0.334CS..  trans-133.926.6174.2-67.8177.1000110.9M1 L621 P622 Q626 Y627M1-L624 HydrophobicContact CE-CD1 3.47Å; M1-L624 VanDerWaalsContact CE-CD1 3.47Å; M1-L624 HydrophobicContact SD-CD1 4.25Å; L621-L624 HydrophobicContact CB-CB 4.06Å; L621-L624 HydrophobicContact CD1-CD1 4.3Å; L621-L624 CarbonylContact O-C 3.36Å; L621-L624 PolarHBondContact O-N 2.88Å; L621-L624 VanDerWaalsContact O-N 3.09Å; P622-L624 PolarHBondContact O-N 3.38Å; L624-Q626 PolarHBondContact O-N 3.11Å; L624-Q626 VanDerWaalsContact O-N 3.12Å; L624-Y627 HydrophobicContact CB-CD2 4.18Å; L624-Y627 HydrophobicContact CD2-CD2 3.93Å; L624-Y627 HydrophobicContact CD2-CE2 4.03Å; L624-Y627 PolarHBondContact O-N 2.66Å
625E93.2Very high94.6Very high109 Ų10956.4 Ų56.451%0.50931%0.309SS..THydrogen-bonded Turntrans-61.6-24.9-173.2-62.784.6171.800112.8L621 P622 S623 Y627L621-E625 PolarHBondContact O-N 3.2Å; P622-E625 VanDerWaalsContact CA-OE1 3.28Å; P622-E625 WeakPolarHBondContact CA-OE1 3.37Å; S623-E625 VanDerWaalsContact C-OE2 3.31Å; S623-E625 WeakPolarHBondContact CA-OE2 3.34Å; S623-E625 PolarHBondContact N-OE1 3.4Å; S623-E625 PolarHBondContact N-OE2 3.16Å; E625-Y627 PolarHBondContact O-N 2.98Å
626Q91.2Very high94.5Very high105 Ų10551.4 Ų51.449%0.49129%0.286SS..THydrogen-bonded Turntrans-65.6-16.5173.872.6-83.32400113.4L624L624-Q626 PolarHBondContact O-N 3.11Å; L624-Q626 VanDerWaalsContact O-N 3.12Å
627Y93.1Very high94.5Very high32 Ų3250.2 Ų50.213%0.12527%0.273CS..SBendtrans-101.1131.4-176.9-66.3-71.3000113.4L5 F15 R620 L624 E625 Q631 M635L5-Y627 HydrophobicContact CD2-CE2 3.97Å; L5-Y627 WeakPolarHBondContact CD2-OH 3.48Å; F15-Y627 HydrophobicContact CZ-CE1 4Å; F15-Y627 HydrophobicContact CZ-CE2 4.39Å; F15-Y627 AromaticContact CZ-CZ 3.62Å; F15-Y627 WeakPolarHBondContact CZ-OH 3.28Å; R620-Y627 VanDerWaalsContact CD-O 3.28Å; R620-Y627 WeakPolarHBondContact CD-O 3.41Å; R620-Y627 PolarHBondContact NH1-O 3.39Å; L624-Y627 HydrophobicContact CB-CD2 4.18Å; L624-Y627 HydrophobicContact CD2-CD2 3.93Å; L624-Y627 HydrophobicContact CD2-CE2 4.03Å; L624-Y627 PolarHBondContact O-N 2.66Å; E625-Y627 PolarHBondContact O-N 2.98Å; Y627-Q631 HydrophobicContact CD1-CB 4.27Å; Y627-M635 HydrophobicContact CD1-CE 3.77Å; Y627-M635 HydrophobicContact CD2-CE 3.89Å; Y627-M635 HydrophobicContact CE1-CE 4.47Å; Y627-M635 HydrophobicContact CG-CE 3.46Å; Y627-M635 VanDerWaalsContact CG-CE 3.46Å
628S96.2Very high94.4Very high23 Ų2344.6 Ų44.616%0.16124%0.236CC..  trans-20.4134.2148.8138.70000117.3R620 E630 Q631 V632R620-S628 VanDerWaalsContact CZ-CB 3.48Å; R620-S628 VanDerWaalsContact NH1-CA 3.33Å; R620-S628 VanDerWaalsContact NH1-CB 3.28Å; S628-E630 PolarHBondContact OG-N 3.26Å; S628-Q631 CarbonylContact O-C 3.46Å; S628-Q631 PolarHBondContact O-N 3.38Å; S628-V632 WeakPolarHBondContact O-CB 3.3Å; S628-V632 WeakPolarHBondContact O-CG2 3.4Å; S628-V632 PolarHBondContact O-N 3.07Å
629M97.4Very high94.2Very high12 Ų1243.4 Ų43.46%0.05923%0.232CC..Hα-helixtrans-66.7-28.8156.7-65.7-52.2-66.700111.2P515 A517 Y608 E618 P619 L621 V632 F633P515-M629 HydrophobicContact CB-CE 3.82Å; A517-M629 HydrophobicContact CB-CB 4.37Å; A517-M629 HydrophobicContact CB-CE 3.66Å; A517-M629 WeakPolarHBondContact CB-O 3.37Å; Y608-M629 WeakPolarHBondContact OH-CB 3.31Å; E618-M629 HydrophobicContact CB-CE 4.11Å; E618-M629 HydrophobicContact CB-CG 4.16Å; P619-M629 VanDerWaalsContact O-SD 3.33Å; L621-M629 HydrophobicContact CG-CE 4.47Å; L621-M629 HydrophobicContact CG-SD 4.41Å; M629-V632 HydrophobicContact CE-CB 4.43Å; M629-V632 HydrophobicContact CE-CG1 4.19Å; M629-V632 WeakPolarHBondContact O-CB 3.41Å; M629-V632 PolarHBondContact O-N 2.96Å; M629-V632 HydrophobicContact SD-CB 4.43Å; M629-V632 HydrophobicContact SD-CG2 4.27Å; M629-F633 PolarHBondContact O-N 3.46Å
630E97.6Very high93.9Very high74 Ų7438.4 Ų38.435%0.34620%0.199SC..Hα-helixtrans-67.3-37.9167.5-61.1179153.300111.8F605 S628 V632 F633 F634 A679F605-E630 HydrophobicContact CE2-CB 3.91Å; F605-E630 HydrophobicContact CE2-CG 4Å; F605-E630 HydrophobicContact CZ-CB 4.2Å; F605-E630 HydrophobicContact CZ-CG 4.03Å; S628-E630 PolarHBondContact OG-N 3.26Å; E630-V632 VanDerWaalsContact C-N 3.34Å; E630-F633 WeakPolarHBondContact O-CB 3.48Å; E630-F633 PolarHBondContact O-N 2.87Å; E630-F634 WeakPolarHBondContact O-CD2 3.33Å; E630-F634 PolarHBondContact O-N 3.47Å; E630-A679 HydrophobicContact CB-CB 4.41Å
631Q96Very high93.9Very high33 Ų3334 Ų3415%0.15418%0.182CC..Hα-helixtrans-66.9-37.4172.8-65.3174.9-3700111.3Y627 S628 F633 F634 M635 A679 F680Y627-Q631 HydrophobicContact CD1-CB 4.27Å; S628-Q631 CarbonylContact O-C 3.46Å; S628-Q631 PolarHBondContact O-N 3.38Å; Q631-F633 VanDerWaalsContact C-N 3.33Å; Q631-F634 PolarHBondContact O-N 2.94Å; Q631-M635 HydrophobicContact CB-CE 4.27Å; Q631-M635 WeakPolarHBondContact O-CG 3.32Å; Q631-M635 PolarHBondContact O-N 3.37Å; Q631-A679 HydrophobicContact CG-CB 4.32Å; Q631-A679 VanDerWaalsContact CG-O 3.29Å; Q631-A679 WeakPolarHBondContact CG-O 3.32Å; Q631-A679 PolarHBondContact NE2-O 3.08Å; Q631-F680 HydrophobicContact CB-CE1 4.12Å; Q631-F680 HydrophobicContact CB-CE2 4.16Å; Q631-F680 HydrophobicContact CB-CZ 3.73Å; Q631-F680 HydrophobicContact CG-CD1 4.36Å; Q631-F680 HydrophobicContact CG-CD2 4.42Å; Q631-F680 HydrophobicContact CG-CE1 4.11Å; Q631-F680 HydrophobicContact CG-CE2 4.15Å; Q631-F680 HydrophobicContact CG-CZ 3.99Å
632V95.8Very high93.8Very high0 Ų032.5 Ų32.50%017%0.174CC..Hα-helixtrans-62.9-37.6172.9168.80000111.5M1 A517 I518 L621 S628 M629 E630 M635 G636M1-V632 HydrophobicContact CE-CG1 3.89Å; M1-V632 HydrophobicContact CE-CG2 4.29Å; A517-V632 HydrophobicContact CB-CB 4.49Å; A517-V632 HydrophobicContact CB-CG1 4.11Å; I518-V632 HydrophobicContact CD1-CG1 4.24Å; I518-V632 HydrophobicContact CG1-CG1 3.6Å; L621-V632 HydrophobicContact CD1-CG1 3.8Å; L621-V632 HydrophobicContact CD1-CG2 3.94Å; S628-V632 WeakPolarHBondContact O-CB 3.3Å; S628-V632 WeakPolarHBondContact O-CG2 3.4Å; S628-V632 PolarHBondContact O-N 3.07Å; M629-V632 HydrophobicContact CE-CB 4.43Å; M629-V632 HydrophobicContact CE-CG1 4.19Å; M629-V632 WeakPolarHBondContact O-CB 3.41Å; M629-V632 PolarHBondContact O-N 2.96Å; M629-V632 HydrophobicContact SD-CB 4.43Å; M629-V632 HydrophobicContact SD-CG2 4.27Å; E630-V632 VanDerWaalsContact C-N 3.34Å; V632-M635 HydrophobicContact CB-CE 4.41Å; V632-M635 HydrophobicContact CG2-CE 3.82Å; V632-M635 PolarHBondContact O-N 3.48Å; V632-G636 PolarHBondContact O-N 3.23Å
633F97.6Very high93.9Very high0 Ų029.1 Ų29.10%016%0.158CC..Hα-helixtrans-55.1-53.5172.1168.2-80.1000111.5A517 Y520 G521 V601 A604 F605 Y608 M629 E630 Q631 M635 G636 F637A517-F633 HydrophobicContact CB-CB 4.45Å; A517-F633 WeakPolarHBondContact O-CA 3.3Å; Y520-F633 VanDerWaalsContact C-CE2 3.43Å; Y520-F633 WeakPolarHBondContact O-CE2 3.44Å; G521-F633 VanDerWaalsContact CA-CD2 3.49Å; G521-F633 VanDerWaalsContact CA-CE2 3.46Å; G521-F633 WeakPolarHBondContact CA-O 3.47Å; G521-F633 VanDerWaalsContact N-CD2 3.34Å; V601-F633 HydrophobicContact CG2-CE1 4.07Å; V601-F633 HydrophobicContact CG2-CZ 4.39Å; A604-F633 HydrophobicContact CB-CE2 4.01Å; A604-F633 HydrophobicContact CB-CZ 3.82Å; F605-F633 VanDerWaalsContact CA-CZ 3.46Å; F605-F633 HydrophobicContact CB-CD1 4.42Å; F605-F633 HydrophobicContact CB-CE1 3.72Å; F605-F633 HydrophobicContact CB-CE2 4.3Å; F605-F633 HydrophobicContact CB-CZ 3.67Å; F605-F633 AromaticContact CD2-CD1 3.54Å; F605-F633 HydrophobicContact CD2-CD1 3.54Å; F605-F633 HydrophobicContact CD2-CD2 4.35Å; F605-F633 AromaticContact CD2-CE1 3.74Å; F605-F633 HydrophobicContact CD2-CE1 3.74Å; F605-F633 HydrophobicContact CD2-CE2 4.47Å; F605-F633 AromaticContact CD2-CG 3.92Å; F605-F633 HydrophobicContact CD2-CG 3.92Å; F605-F633 HydrophobicContact CD2-CZ 4.22Å; F605-F633 HydrophobicContact CE2-CD1 4.32Å; F605-F633 HydrophobicContact CG-CD1 4.43Å; F605-F633 HydrophobicContact CG-CE1 4.19Å; F605-F633 HydrophobicContact CG-CZ 4.47Å; F605-F633 VanDerWaalsContact N-CZ 3.26Å; Y608-F633 HydrophobicContact CD1-CD2 4.37Å; Y608-F633 HydrophobicContact CG-CD2 4.26Å; M629-F633 PolarHBondContact O-N 3.46Å; E630-F633 WeakPolarHBondContact O-CB 3.48Å; E630-F633 PolarHBondContact O-N 2.87Å; Q631-F633 VanDerWaalsContact C-N 3.33Å; F633-M635 VanDerWaalsContact C-N 3.31Å; F633-M635 PolarHBondContact O-N 3.22Å; F633-G636 WeakPolarHBondContact O-CA 3.34Å; F633-G636 PolarHBondContact O-N 3.39Å; F633-F637 PolarHBondContact O-N 3.2Å
634F97Very high94.2Very high1 Ų126.5 Ų26.50%0.00414%0.135CC..Hα-helixtrans-67.5-32.7-179.1-69.5-65.5000112.3F13 V601 F605 E630 Q631 G636 F637 A638 L670 D675 F676 A679 F680F13-F634 WeakPolarHBondContact CE1-O 3.18Å; F13-F634 HydrophobicContact CZ-CB 4.21Å; V601-F634 HydrophobicContact CG2-CE1 4.48Å; F605-F634 HydrophobicContact CD2-CE2 4.03Å; F605-F634 AromaticContact CD2-CZ 3.8Å; F605-F634 HydrophobicContact CD2-CZ 3.8Å; F605-F634 AromaticContact CE2-CE2 3.8Å; F605-F634 HydrophobicContact CE2-CE2 3.8Å; F605-F634 AromaticContact CE2-CZ 3.98Å; F605-F634 HydrophobicContact CE2-CZ 3.98Å; F605-F634 HydrophobicContact CG-CZ 4.1Å; F605-F634 HydrophobicContact CZ-CE2 4.31Å; F605-F634 HydrophobicContact CZ-CZ 4.45Å; E630-F634 WeakPolarHBondContact O-CD2 3.33Å; E630-F634 PolarHBondContact O-N 3.47Å; Q631-F634 PolarHBondContact O-N 2.94Å; F634-G636 VanDerWaalsContact C-N 3.33Å; F634-F637 PolarHBondContact O-N 2.91Å; F634-A638 PolarHBondContact O-N 3.41Å; F634-L670 HydrophobicContact CD1-CD2 3.66Å; F634-L670 HydrophobicContact CE1-CD2 4.17Å; F634-D675 HydrophobicContact CZ-CB 3.87Å; F634-F676 HydrophobicContact CB-CD2 4.19Å; F634-F676 HydrophobicContact CD1-CB 4.13Å; F634-F676 HydrophobicContact CD1-CD2 4.11Å; F634-F676 HydrophobicContact CD2-CD2 4.3Å; F634-F676 HydrophobicContact CE1-CB 3.84Å; F634-F676 HydrophobicContact CE2-CB 4.33Å; F634-F676 AromaticContact CG-CD2 3.93Å; F634-F676 HydrophobicContact CG-CD2 3.93Å; F634-F676 HydrophobicContact CZ-CB 3.97Å; F634-F676 VanDerWaalsContact CZ-N 3.32Å; F634-A679 HydrophobicContact CD2-CB 3.92Å; F634-A679 HydrophobicContact CE2-CB 3.69Å; F634-F680 HydrophobicContact CB-CE2 3.84Å; F634-F680 HydrophobicContact CD2-CE2 4.13Å; F634-F680 HydrophobicContact CG-CE2 4.33Å
635M94.7Very high94.4Very high1 Ų126.9 Ų26.91%0.00514%0.139CC..Hα-helixtrans-65.1-37.2170.9-70.8-173-85.300112M1 V3 F13 F15 Y627 Q631 V632 F633 S639 F680M1-M635 HydrophobicContact SD-CB 3.43Å; M1-M635 WeakPolarHBondContact SD-CB 3.2Å; M1-M635 HydrophobicContact SD-CE 4.36Å; M1-M635 HydrophobicContact SD-CG 4.29Å; M1-M635 HydrophobicContact SD-SD 3.96Å; V3-M635 HydrophobicContact CG2-SD 3.81Å; F13-M635 HydrophobicContact CZ-CG 4.17Å; F15-M635 HydrophobicContact CE1-CG 4.06Å; F15-M635 HydrophobicContact CE1-SD 3.68Å; F15-M635 HydrophobicContact CZ-SD 4.21Å; Y627-M635 HydrophobicContact CD1-CE 3.77Å; Y627-M635 HydrophobicContact CD2-CE 3.89Å; Y627-M635 HydrophobicContact CE1-CE 4.47Å; Y627-M635 HydrophobicContact CG-CE 3.46Å; Y627-M635 VanDerWaalsContact CG-CE 3.46Å; Q631-M635 HydrophobicContact CB-CE 4.27Å; Q631-M635 WeakPolarHBondContact O-CG 3.32Å; Q631-M635 PolarHBondContact O-N 3.37Å; V632-M635 HydrophobicContact CB-CE 4.41Å; V632-M635 HydrophobicContact CG2-CE 3.82Å; V632-M635 PolarHBondContact O-N 3.48Å; F633-M635 VanDerWaalsContact C-N 3.31Å; F633-M635 PolarHBondContact O-N 3.22Å; M635-S639 VanDerWaalsContact O-CB 3.23Å; M635-S639 WeakPolarHBondContact O-CB 3.33Å; M635-S639 PolarHBondContact O-N 3.33Å; M635-S639 PolarHBondContact O-OG 3.43Å; M635-F680 HydrophobicContact CG-CZ 4.41Å
636G94.5Very high94.5Very high0 Ų024.9 Ų24.90%013%0.129CC..Hα-helixtrans-59.5-51.4171.800000111.6V632 F633 F634 A638 S639V632-G636 PolarHBondContact O-N 3.23Å; F633-G636 WeakPolarHBondContact O-CA 3.34Å; F633-G636 PolarHBondContact O-N 3.39Å; F634-G636 VanDerWaalsContact C-N 3.33Å; G636-A638 PolarHBondContact O-N 3.09Å; G636-S639 PolarHBondContact O-N 3.47Å; G636-S639 VanDerWaalsContact O-N 3.07Å; G636-S639 PolarHBondContact O-OG 3.38Å
637F96.3Very high94.6Very high3 Ų324.1 Ų24.11%0.01313%0.128CC..Hα-helixtrans-52.6-50.2174.9169.9-106.5000112.5G521 S525 V601 F633 F634 S639 F640 W641 V666 L670G521-F637 WeakPolarHBondContact O-CA 3.45Å; G521-F637 VanDerWaalsContact O-CB 3.31Å; G521-F637 WeakPolarHBondContact O-CB 3.19Å; G521-F637 PolarHBondContact O-N 3.14Å; S525-F637 WeakPolarHBondContact OG-CD2 3.48Å; V601-F637 HydrophobicContact CB-CD2 4.04Å; V601-F637 HydrophobicContact CB-CE2 3.84Å; V601-F637 HydrophobicContact CB-CZ 4.14Å; V601-F637 HydrophobicContact CG2-CB 4.3Å; V601-F637 HydrophobicContact CG2-CD1 3.99Å; V601-F637 HydrophobicContact CG2-CD2 3.69Å; V601-F637 HydrophobicContact CG2-CE1 4.22Å; V601-F637 HydrophobicContact CG2-CE2 3.94Å; V601-F637 HydrophobicContact CG2-CG 3.71Å; V601-F637 HydrophobicContact CG2-CZ 4.2Å; F633-F637 PolarHBondContact O-N 3.2Å; F634-F637 PolarHBondContact O-N 2.91Å; F637-S639 VanDerWaalsContact C-N 3.3Å; F637-S639 PolarHBondContact O-N 3.12Å; F637-F640 AromaticContact CD2-CE1 3.86Å; F637-F640 HydrophobicContact CD2-CE1 3.86Å; F637-F640 HydrophobicContact CD2-CZ 4.36Å; F637-F640 HydrophobicContact CE2-CE1 4.42Å; F637-F640 HydrophobicContact CE2-CZ 4.5Å; F637-F640 WeakPolarHBondContact O-CD1 3.47Å; F637-F640 WeakPolarHBondContact O-CE1 3.39Å; F637-W641 AromaticContact CE2-NE1 3.57Å; F637-W641 AromaticContact CZ-NE1 3.82Å; F637-W641 VanDerWaalsContact O-CD1 3.23Å; F637-V666 HydrophobicContact CE1-CG2 4.48Å; F637-L670 HydrophobicContact CD1-CD1 4.33Å; F637-L670 HydrophobicContact CD1-CD2 3.89Å; F637-L670 HydrophobicContact CD1-CG 4.18Å; F637-L670 HydrophobicContact CE1-CD1 4.42Å; F637-L670 HydrophobicContact CE1-CD2 3.94Å; F637-L670 HydrophobicContact CE1-CG 3.95Å
638A94.9Very high94.6Very high1 Ų126.1 Ų26.11%0.00814%0.135CC..Hα-helixtrans-70.4-27.8-179.900000113.3F13 A16 C17 F634 G636 F640 W641 V666F13-A638 HydrophobicContact CD1-CB 3.5Å; F13-A638 HydrophobicContact CE1-CB 3.46Å; F13-A638 VanDerWaalsContact CE1-CB 3.46Å; A16-A638 HydrophobicContact CB-CB 3.55Å; C17-A638 PolarHBondContact SG-O 2.95Å; F634-A638 PolarHBondContact O-N 3.41Å; G636-A638 PolarHBondContact O-N 3.09Å; A638-F640 PolarHBondContact O-N 2.91Å; A638-W641 PolarHBondContact O-N 3.34Å; A638-V666 HydrophobicContact CB-CG1 3.8Å; A638-V666 HydrophobicContact CB-CG2 4.1Å
639S90.6Very high94.4Very high10 Ų1025.7 Ų25.77%0.0713%0.131CC..Hα-helixtrans-69.2-31.7-172.371.30000114.3M635 G636 F637 W641 C642M635-S639 VanDerWaalsContact O-CB 3.23Å; M635-S639 WeakPolarHBondContact O-CB 3.33Å; M635-S639 PolarHBondContact O-N 3.33Å; M635-S639 PolarHBondContact O-OG 3.43Å; G636-S639 PolarHBondContact O-N 3.47Å; G636-S639 VanDerWaalsContact O-N 3.07Å; G636-S639 PolarHBondContact O-OG 3.38Å; F637-S639 VanDerWaalsContact C-N 3.3Å; F637-S639 PolarHBondContact O-N 3.12Å; S639-W641 VanDerWaalsContact C-N 3.25Å; S639-W641 PolarHBondContact O-N 2.83Å; S639-C642 VanDerWaalsContact CA-SG 3.59Å; S639-C642 WeakPolarHBondContact O-CB 3.34Å; S639-C642 PolarHBondContact O-N 3.26Å; S639-C642 PolarHBondContact O-SG 3.47Å
640F90Very high94.3Very high3 Ų325.6 Ų25.61%0.01313%0.13CC..THydrogen-bonded Turntrans-80.1-9.6177.482.6-97.4000112.9A35 F36 F509 A522 V526 F637 A638A35-F640 VanDerWaalsContact CB-O 3.25Å; A35-F640 WeakPolarHBondContact CB-O 3.38Å; F36-F640 HydrophobicContact CE2-CD2 4.02Å; F36-F640 HydrophobicContact CE2-CE2 4.4Å; F36-F640 HydrophobicContact CZ-CD2 4.2Å; F36-F640 HydrophobicContact CZ-CE2 4.31Å; F509-F640 HydrophobicContact CD1-CB 4.08Å; F509-F640 HydrophobicContact CD1-CD2 4.09Å; F509-F640 HydrophobicContact CD1-CG 4.2Å; F509-F640 HydrophobicContact CE1-CB 3.91Å; F509-F640 AromaticContact CE1-CD2 3.59Å; F509-F640 HydrophobicContact CE1-CD2 3.59Å; F509-F640 HydrophobicContact CE1-CE2 4.36Å; F509-F640 HydrophobicContact CE1-CG 4.04Å; A522-F640 HydrophobicContact CB-CD1 3.84Å; A522-F640 HydrophobicContact CB-CG 4.48Å; V526-F640 HydrophobicContact CG2-CE2 3.94Å; V526-F640 HydrophobicContact CG2-CZ 3.93Å; F637-F640 AromaticContact CD2-CE1 3.86Å; F637-F640 HydrophobicContact CD2-CE1 3.86Å; F637-F640 HydrophobicContact CD2-CZ 4.36Å; F637-F640 HydrophobicContact CE2-CE1 4.42Å; F637-F640 HydrophobicContact CE2-CZ 4.5Å; F637-F640 WeakPolarHBondContact O-CD1 3.47Å; F637-F640 WeakPolarHBondContact O-CE1 3.39Å; A638-F640 PolarHBondContact O-N 2.91Å
641W93.9Very high94.1Very high36 Ų3622.5 Ų22.514%0.13612%0.116CC..THydrogen-bonded Turntrans-94-0.2170.7-65.7121.1000113.7F36 F637 A638 S639 G643 R665 V666F36-W641 AromaticContact CE2-CE3 3.98Å; F36-W641 HydrophobicContact CE2-CE3 3.98Å; F36-W641 HydrophobicContact CE2-CH2 4.22Å; F36-W641 AromaticContact CE2-CZ3 3.54Å; F36-W641 HydrophobicContact CE2-CZ3 3.54Å; F36-W641 HydrophobicContact CZ-CH2 4.24Å; F36-W641 AromaticContact CZ-CZ3 4Å; F36-W641 HydrophobicContact CZ-CZ3 4Å; F637-W641 AromaticContact CE2-NE1 3.57Å; F637-W641 AromaticContact CZ-NE1 3.82Å; F637-W641 VanDerWaalsContact O-CD1 3.23Å; A638-W641 PolarHBondContact O-N 3.34Å; S639-W641 VanDerWaalsContact C-N 3.25Å; S639-W641 PolarHBondContact O-N 2.83Å; W641-G643 PolarHBondContact O-N 3.2Å; W641-R665 HydrophobicContact CD2-CB 4.36Å; W641-V666 HydrophobicContact CB-CG2 3.51Å; W641-V666 HydrophobicContact CG-CG2 3.77Å
642C93.2Very high93.9Very high1 Ų121.5 Ų21.51%0.00711%0.112CC..  trans-64.6128.6177.8-59.40000110.8C17 W20 D34 A35 S639C17-C642 WeakPolarHBondContact CA-SG 3.17Å; C17-C642 HydrophobicContact CB-CB 3.75Å; C17-C642 WeakPolarHBondContact CB-SG 3.22Å; C17-C642 WeakPolarHBondContact SG-CA 3.28Å; C17-C642 WeakPolarHBondContact SG-CB 3.19Å; C17-C642 CovalentContact SG-SG 2.03Å; C17-C642 PolarHBondContact SG-SG 2.98Å; W20-C642 HydrophobicContact CB-CB 3.92Å; W20-C642 HydrophobicContact CD2-CB 3.79Å; W20-C642 HydrophobicContact CG-CB 3.39Å; D34-C642 WeakPolarHBondContact CA-O 3.32Å; A35-C642 PolarHBondContact N-O 3.11Å; A35-C642 VanDerWaalsContact N-O 3.14Å; S639-C642 VanDerWaalsContact CA-SG 3.59Å; S639-C642 WeakPolarHBondContact O-CB 3.34Å; S639-C642 PolarHBondContact O-N 3.26Å; S639-C642 PolarHBondContact O-SG 3.47Å
643G93Very high93.7Very high32 Ų3222.6 Ų22.633%0.3312%0.118SC..EExtended strand (participates in β ladder)trans-178.7165.7-177.900000112.7Q33 W641Q33-G643 CarbonylContact O-C 3.4Å; Q33-G643 WeakPolarHBondContact O-CA 3.43Å; W641-G643 PolarHBondContact O-N 3.2Å
644H92.4Very high93.5Very high50 Ų5024.1 Ų24.123%0.23113%0.126CC..EExtended strand (participates in β ladder)trans-150.6158.516760.5-85.1000110.9W20 N21 N24 I26 R32 Q33W20-H644 AromaticContact CE3-ND1 3.76Å; W20-H644 AromaticContact CZ3-CE1 3.72Å; W20-H644 AromaticContact CZ3-ND1 3.37Å; W20-H644 WeakPolarHBondContact CZ3-ND1 3.27Å; N21-H644 WeakPolarHBondContact CB-ND1 3.44Å; N21-H644 PolarHBondContact O-CE1 3.28Å; N21-H644 PolarHBondContact OD1-ND1 2.85Å; N21-H644 VanDerWaalsContact OD1-ND1 3.17Å; N24-H644 PolarHBondContact O-CE1 3.03Å; I26-H644 WeakPolarHBondContact CG1-CD2 3.46Å; I26-H644 WeakPolarHBondContact CG1-NE2 3.4Å; R32-H644 WeakPolarHBondContact CA-O 3.29Å; Q33-H644 PolarHBondContact N-O 3.33Å; Q33-H644 PolarHBondContact O-N 3.04Å
645C94.3Very high93.1Very high38 Ų3824.7 Ų24.726%0.25713%0.131SC..EExtended strand (participates in β ladder)trans-139.3165.8-176.363.40000111.4D31 R32 H649D31-C645 CarbonylContact O-C 3.56Å; D31-C645 WeakPolarHBondContact O-CA 3.26Å; D31-C645 WeakPolarHBondContact O-CB 3.29Å; R32-C645 HydrophobicContact CB-CB 3.54Å; C645-H649 HydrophobicContact CB-CB 4.14Å
646K93.9Very high92.8Very high68 Ų6826 Ų2630%0.29614%0.138SC..  trans-72.7150.8171.1-63.1178.2-179.11640109.9I26 T30 D31 G325 R648 H649 L650I26-K646 HydrophobicContact CD1-CG 3.99Å; T30-K646 VanDerWaalsContact O-CE 3.24Å; T30-K646 WeakPolarHBondContact O-CE 3.27Å; T30-K646 PolarHBondContact O-NZ 3.15Å; D31-K646 PolarHBondContact O-N 3.38Å; G325-K646 WeakPolarHBondContact O-CD 3.36Å; G325-K646 PolarHBondContact O-NZ 3.13Å; K646-R648 VanDerWaalsContact C-N 3.27Å; K646-R648 PolarHBondContact O-N 2.86Å; K646-H649 WeakPolarHBondContact O-CA 3.38Å; K646-H649 WeakPolarHBondContact O-CB 3.5Å; K646-H649 PolarHBondContact O-N 3Å; K646-L650 PolarHBondContact O-N 3.07Å
647D93.9Very high92.6Very high88 Ų8828.4 Ų28.447%0.47115%0.151SC..Hα-helixtrans-56.8-38.2-178.6-66.8-0.4000113.2I579 H649 L650 I651I579-D647 HydrophobicContact CD1-CB 3.87Å; D647-H649 VanDerWaalsContact C-N 3.31Å; D647-H649 PolarHBondContact O-N 3.37Å; D647-L650 WeakPolarHBondContact O-CB 3.49Å; D647-L650 PolarHBondContact O-N 3.01Å; D647-L650 VanDerWaalsContact O-N 3.14Å; D647-I651 WeakPolarHBondContact O-CG1 3.48Å; D647-I651 PolarHBondContact O-N 3.26Å
648R92.5Very high92.4Very high75 Ų7530.5 Ų30.528%0.28316%0.161SC..Hα-helixtrans-61.5-38.1175.4-70.7-72-179.7158.6-4.5112.2D172 K646 N652D172-R648 IonicContact OD2-CZ 3.46Å; D172-R648 IonicContact OD2-NH1 2.62Å; D172-R648 IonicContact OD2-NH2 2.69Å; D172-R648 PolarHBondContact OD2-NH2 3.29Å; K646-R648 VanDerWaalsContact C-N 3.27Å; K646-R648 PolarHBondContact O-N 2.86Å; R648-N652 PolarHBondContact O-N 3.12Å; R648-N652 VanDerWaalsContact O-N 3.16Å
649H93.8Very high92.5Very high13 Ų1333.2 Ų33.26%0.0617%0.173CC..Hα-helixtrans-68.8-40.9173.1-176.187.7000111.5D31 R324 C645 K646 D647 I651 N652 L653D31-H649 HydrophobicContact CB-CB 3.96Å; D31-H649 IonicContact OD1-CE1 3.91Å; D31-H649 IonicContact OD1-ND1 3.44Å; D31-H649 IonicContact OD2-CE1 2.74Å; D31-H649 IonicContact OD2-CG 3.68Å; D31-H649 IonicContact OD2-ND1 2.78Å; D31-H649 PolarHBondContact OD2-ND1 3.25Å; R324-H649 PolarHBondContact O-N 3.4Å; C645-H649 HydrophobicContact CB-CB 4.14Å; K646-H649 WeakPolarHBondContact O-CA 3.38Å; K646-H649 WeakPolarHBondContact O-CB 3.5Å; K646-H649 PolarHBondContact O-N 3Å; D647-H649 VanDerWaalsContact C-N 3.31Å; D647-H649 PolarHBondContact O-N 3.37Å; H649-I651 PolarHBondContact O-N 3.35Å; H649-N652 WeakPolarHBondContact O-CB 3.29Å; H649-N652 PolarHBondContact O-N 2.76Å; H649-L653 WeakPolarHBondContact O-CB 3.46Å; H649-L653 PolarHBondContact O-N 3.17Å
650L94.8Very high92.8Very high10 Ų1032.9 Ų32.95%0.05217%0.171CC..Hα-helixtrans-60.7-44.4177-177.156.9000111.3Y576 I579 K646 D647 N652 L653 L654 P661Y576-L650 HydrophobicContact CD1-CD2 3.86Å; Y576-L650 HydrophobicContact CD2-CD1 4.46Å; Y576-L650 HydrophobicContact CD2-CD2 4.22Å; Y576-L650 HydrophobicContact CE1-CD2 3.92Å; Y576-L650 HydrophobicContact CE2-CD1 3.94Å; Y576-L650 HydrophobicContact CE2-CD2 4.28Å; Y576-L650 HydrophobicContact CG-CD2 3.99Å; I579-L650 HydrophobicContact CD1-CD2 4.19Å; I579-L650 HydrophobicContact CG1-CD2 3.89Å; I579-L650 HydrophobicContact CG1-CG 4.48Å; K646-L650 PolarHBondContact O-N 3.07Å; D647-L650 WeakPolarHBondContact O-CB 3.49Å; D647-L650 PolarHBondContact O-N 3.01Å; D647-L650 VanDerWaalsContact O-N 3.14Å; L650-N652 VanDerWaalsContact C-N 3.31Å; L650-N652 PolarHBondContact O-N 3.34Å; L650-L653 HydrophobicContact CD1-CD2 4.35Å; L650-L653 WeakPolarHBondContact O-CB 3.47Å; L650-L653 PolarHBondContact O-N 3.12Å; L650-L654 HydrophobicContact CD1-CD1 4.17Å; L650-L654 HydrophobicContact CD1-CD2 4.48Å; L650-L654 HydrophobicContact CD1-CG 4.09Å; L650-L654 HydrophobicContact CG-CD1 4.02Å; L650-L654 HydrophobicContact CG-CG 4.38Å; L650-L654 WeakPolarHBondContact O-CB 3.47Å; L650-L654 WeakPolarHBondContact O-CG 3.48Å; L650-L654 PolarHBondContact O-N 3.46Å; L650-P661 HydrophobicContact CD1-CG 4.25Å
651I93.3Very high93Very high10 Ų1033.4 Ų33.45%0.05118%0.175CC..Hα-helixtrans-57.9-45.5174.3-68.2162.9000110.8E169 Y170 I579 D647 H649 L654 A655E169-I651 HydrophobicContact CB-CD1 4.38Å; E169-I651 HydrophobicContact CG-CD1 3.94Å; Y170-I651 HydrophobicContact CE1-CG2 4.2Å; I579-I651 HydrophobicContact CD1-CG1 4.45Å; I579-I651 HydrophobicContact CG2-CD1 4.29Å; I579-I651 HydrophobicContact CG2-CG1 3.6Å; D647-I651 WeakPolarHBondContact O-CG1 3.48Å; D647-I651 PolarHBondContact O-N 3.26Å; H649-I651 PolarHBondContact O-N 3.35Å; I651-L654 PolarHBondContact O-N 2.9Å; I651-A655 WeakPolarHBondContact O-CB 3.49Å; I651-A655 PolarHBondContact O-N 3.38Å; I651-A655 VanDerWaalsContact O-N 3.14Å
652N91.7Very high93Very high12 Ų1232.8 Ų32.86%0.06418%0.18CC..Hα-helixtrans-60.5-49.1176.6-176.3-109000111.6Y162 R324 R648 H649 L650 L654 A655 V656Y162-N652 WeakPolarHBondContact CE2-ND2 3.45Å; Y162-N652 WeakPolarHBondContact OH-CA 3.23Å; Y162-N652 VanDerWaalsContact OH-CB 3.28Å; Y162-N652 WeakPolarHBondContact OH-CB 3.28Å; Y162-N652 PolarHBondContact OH-ND2 3.06Å; R324-N652 HydrophobicContact CG-CB 4.33Å; R648-N652 PolarHBondContact O-N 3.12Å; R648-N652 VanDerWaalsContact O-N 3.16Å; H649-N652 WeakPolarHBondContact O-CB 3.29Å; H649-N652 PolarHBondContact O-N 2.76Å; L650-N652 VanDerWaalsContact C-N 3.31Å; L650-N652 PolarHBondContact O-N 3.34Å; N652-L654 VanDerWaalsContact C-N 3.33Å; N652-L654 PolarHBondContact O-N 3.4Å; N652-A655 PolarHBondContact O-N 3.5Å; N652-A655 VanDerWaalsContact O-N 3.1Å; N652-V656 WeakPolarHBondContact O-CG2 3.36Å; N652-V656 PolarHBondContact O-N 3.22Å
653L92.3Very high93Very high23 Ų2335.2 Ų35.212%0.1219%0.191CC..Hα-helixtrans-55.7-47.8179.6-175.373.8000111.3H649 L650 A655 N657 P661H649-L653 WeakPolarHBondContact O-CB 3.46Å; H649-L653 PolarHBondContact O-N 3.17Å; L650-L653 HydrophobicContact CD1-CD2 4.35Å; L650-L653 WeakPolarHBondContact O-CB 3.47Å; L650-L653 PolarHBondContact O-N 3.12Å; L653-A655 VanDerWaalsContact C-N 3.26Å; L653-A655 PolarHBondContact O-N 2.85Å; L653-N657 HydrophobicContact CD1-CB 3.47Å; L653-N657 VanDerWaalsContact CD1-CB 3.47Å; L653-N657 WeakPolarHBondContact CD1-ND2 3.48Å; L653-N657 HydrophobicContact CG-CB 4.2Å; L653-N657 VanDerWaalsContact O-CB 3.29Å; L653-N657 WeakPolarHBondContact O-CB 3.42Å; L653-N657 PolarHBondContact O-N 2.85Å; L653-P661 HydrophobicContact CD2-CB 4.12Å; L653-P661 HydrophobicContact CD2-CG 3.88Å
654L92.4Very high93.2Very high32 Ų3234.4 Ų34.417%0.16818%0.178CC..Hα-helixtrans-65.6-27.4179.4-66.6174.1000113.4Y576 V583 L585 L650 I651 N652 P661Y576-L654 HydrophobicContact CD2-CD1 3.97Å; Y576-L654 HydrophobicContact CD2-CD2 4.33Å; Y576-L654 HydrophobicContact CE2-CD1 4.43Å; Y576-L654 HydrophobicContact CE2-CD2 4.14Å; V583-L654 HydrophobicContact CB-CD1 4.45Å; V583-L654 HydrophobicContact CG1-CD1 3.87Å; L585-L654 HydrophobicContact CD2-CD2 3.22Å; L650-L654 HydrophobicContact CD1-CD1 4.17Å; L650-L654 HydrophobicContact CD1-CD2 4.48Å; L650-L654 HydrophobicContact CD1-CG 4.09Å; L650-L654 HydrophobicContact CG-CD1 4.02Å; L650-L654 HydrophobicContact CG-CG 4.38Å; L650-L654 WeakPolarHBondContact O-CB 3.47Å; L650-L654 WeakPolarHBondContact O-CG 3.48Å; L650-L654 PolarHBondContact O-N 3.46Å; I651-L654 PolarHBondContact O-N 2.9Å; N652-L654 VanDerWaalsContact C-N 3.33Å; N652-L654 PolarHBondContact O-N 3.4Å; L654-P661 HydrophobicContact CD2-CG 4.28Å
655A88.5Confident93.4Very high13 Ų1332.8 Ų32.811%0.10717%0.17CC..Hα-helixtrans-84.6-39-179.200000113.1D161 Y162 I651 N652 L653D161-A655 HydrophobicContact CB-CB 4.4Å; Y162-A655 HydrophobicContact CE2-CB 4.42Å; I651-A655 WeakPolarHBondContact O-CB 3.49Å; I651-A655 PolarHBondContact O-N 3.38Å; I651-A655 VanDerWaalsContact O-N 3.14Å; N652-A655 PolarHBondContact O-N 3.5Å; N652-A655 VanDerWaalsContact O-N 3.1Å; L653-A655 VanDerWaalsContact C-N 3.26Å; L653-A655 PolarHBondContact O-N 2.85Å
656V88.7Confident93.5Very high28 Ų2831.3 Ų31.317%0.1716%0.16CC..Hα-helixtrans-118.8-27.5-167.6-50.10000115Y162 H589 N652Y162-V656 HydrophobicContact CE2-CG1 4.31Å; H589-V656 PolarHBondContact NE2-O 3.42Å; N652-V656 WeakPolarHBondContact O-CG2 3.36Å; N652-V656 PolarHBondContact O-N 3.22Å
657N90.3Very high93.6Very high50 Ų5028.2 Ų28.227%0.26715%0.147SC..  trans-87.7134.6-171.5-163-24000111H589 L653 H659H589-N657 PolarHBondContact CD2-O 3.38Å; H589-N657 VanDerWaalsContact NE2-C 3.27Å; H589-N657 PolarHBondContact NE2-O 3.05Å; L653-N657 HydrophobicContact CD1-CB 3.47Å; L653-N657 VanDerWaalsContact CD1-CB 3.47Å; L653-N657 WeakPolarHBondContact CD1-ND2 3.48Å; L653-N657 HydrophobicContact CG-CB 4.2Å; L653-N657 VanDerWaalsContact O-CB 3.29Å; L653-N657 WeakPolarHBondContact O-CB 3.42Å; L653-N657 PolarHBondContact O-N 2.85Å; N657-H659 VanDerWaalsContact C-N 3.29Å; N657-H659 PolarHBondContact OD1-N 3.48Å; N657-H659 PolarHBondContact OD1-ND1 3.31Å
658E92.9Very high93.7Very high47 Ų4724 Ų2422%0.2212%0.124CC..SBendtrans-82.2-7.2177.867.8-151.6132.900113.6K158 R227 H589 T590 E593K158-E658 IonicContact NZ-OE1 3.05Å; K158-E658 PolarHBondContact NZ-OE1 3.22Å; K158-E658 VanDerWaalsContact NZ-OE1 3.13Å; K158-E658 IonicContact NZ-OE2 3.7Å; K158-E658 PolarHBondContact NZ-OE2 2.8Å; R227-E658 IonicContact NH1-OE2 3.78Å; H589-E658 PolarHBondContact NE2-N 3.34Å; T590-E658 WeakPolarHBondContact CA-O 3.3Å; T590-E658 WeakPolarHBondContact CB-O 3.48Å; T590-E658 WeakPolarHBondContact CG2-O 3.3Å; E593-E658 HydrophobicContact CG-CB 4.47Å; E593-E658 HydrophobicContact CG-CG 3.96Å; E593-E658 WeakPolarHBondContact CG-O 3.44Å
659H95.4Very high94Very high58 Ų5820.5 Ų20.527%0.26911%0.111SC..SBendtrans-86.8135.6172.4-53.887.2000110.8E593 N657 R665E593-H659 HydrophobicContact CG-CB 4.42Å; E593-H659 VanDerWaalsContact CG-CD2 3.47Å; E593-H659 WeakPolarHBondContact CG-CD2 3.39Å; E593-H659 IonicContact OE1-NE2 3.8Å; E593-H659 IonicContact OE2-CD2 2.73Å; E593-H659 PolarHBondContact OE2-CD2 2.84Å; E593-H659 IonicContact OE2-NE2 3.62Å; E593-H659 PolarHBondContact OE2-NE2 3.24Å; N657-H659 VanDerWaalsContact C-N 3.29Å; N657-H659 PolarHBondContact OD1-N 3.48Å; N657-H659 PolarHBondContact OD1-ND1 3.31Å; H659-R665 PolarHBondContact CD2-NH1 3.37Å
660S97.1Very high94.2Very high4 Ų419.9 Ų19.93%0.02811%0.108CC..PPolyproline II helixtrans-59.5148163.8-710000110.5Y571 N594 R665Y571-S660 VanDerWaalsContact CD1-OG 3.29Å; Y571-S660 WeakPolarHBondContact CD1-OG 3.42Å; N594-S660 WeakPolarHBondContact OD1-CB 3.43Å; N594-S660 PolarHBondContact OD1-OG 2.97Å; S660-R665 VanDerWaalsContact O-CD 3.28Å; S660-R665 WeakPolarHBondContact O-CD 3.41Å; S660-R665 VanDerWaalsContact O-CG 3.26Å; S660-R665 WeakPolarHBondContact O-CG 3.28Å
661P95.3Very high94.3Very high13 Ų1320.7 Ų20.78%0.08411%0.112CC..PPolyproline II helixtrans-55145170.6-24.934.3000111.5Y576 L585 L650 L653 L654 E663 Y664 R665Y576-P661 HydrophobicContact CE2-CG 4.06Å; Y576-P661 VanDerWaalsContact OH-CB 3.29Å; Y576-P661 WeakPolarHBondContact OH-CB 3.45Å; Y576-P661 WeakPolarHBondContact OH-CG 3.36Å; L585-P661 HydrophobicContact CD2-CG 3.96Å; L650-P661 HydrophobicContact CD1-CG 4.25Å; L653-P661 HydrophobicContact CD2-CB 4.12Å; L653-P661 HydrophobicContact CD2-CG 3.88Å; L654-P661 HydrophobicContact CD2-CG 4.28Å; P661-E663 PolarHBondContact O-N 2.99Å; P661-Y664 HydrophobicContact CG-CD2 4.48Å; P661-Y664 PolarHBondContact O-N 3.09Å; P661-R665 PolarHBondContact O-N 3.11Å; P661-R665 VanDerWaalsContact O-N 3.1Å
662G94.3Very high94.5Very high24 Ų2420.9 Ų20.925%0.24711%0.113CC..Hα-helixtrans-52.2-35.6-170.200000114.8Y664 R665 V666G662-Y664 VanDerWaalsContact C-N 3.31Å; G662-Y664 PolarHBondContact O-N 3.18Å; G662-R665 PolarHBondContact O-N 3.42Å; G662-V666 WeakPolarHBondContact O-CG2 3.48Å; G662-V666 PolarHBondContact O-N 3.06Å; G662-V666 VanDerWaalsContact O-N 3.11Å
663E92.7Very high94.8Very high52 Ų5221 Ų2124%0.24312%0.115CC..Hα-helixtrans-63.4-35.2176.471.2177.4140.900113.7R14 Y576 P661 I667R14-E663 IonicContact CZ-OE2 2.76Å; R14-E663 IonicContact NE-OE2 3.89Å; R14-E663 PolarHBondContact NE-OE2 2.91Å; R14-E663 IonicContact NH2-OE2 3.29Å; R14-E663 PolarHBondContact NH2-OE2 2.7Å; Y576-E663 WeakPolarHBondContact CE1-OE1 3.39Å; Y576-E663 VanDerWaalsContact CZ-OE1 3.28Å; Y576-E663 PolarHBondContact OH-OE1 3.35Å; P661-E663 PolarHBondContact O-N 2.99Å; E663-I667 WeakPolarHBondContact O-CB 3.14Å; E663-I667 VanDerWaalsContact O-CG1 3.24Å; E663-I667 WeakPolarHBondContact O-CG1 3.49Å; E663-I667 PolarHBondContact O-N 3.21Å
664Y95.9Very high94.9Very high15 Ų1525 Ų256%0.05913%0.133CC..Hα-helixtrans-85.9-24-180-68.8-51.8000111.9Y571 F574 C575 Y576 L585 P661 G662 V666 I667 G668Y571-Y664 WeakPolarHBondContact CE1-O 3.28Å; F574-Y664 HydrophobicContact CB-CD1 3.74Å; F574-Y664 HydrophobicContact CB-CD2 4.02Å; F574-Y664 HydrophobicContact CB-CE1 3.67Å; F574-Y664 HydrophobicContact CB-CE2 3.91Å; F574-Y664 HydrophobicContact CB-CG 3.94Å; F574-Y664 AromaticContact CD1-CD1 3.8Å; F574-Y664 HydrophobicContact CD1-CD1 3.8Å; F574-Y664 AromaticContact CD1-CE1 3.77Å; F574-Y664 HydrophobicContact CD1-CE1 3.77Å; F574-Y664 AromaticContact CD2-CD1 3.64Å; F574-Y664 HydrophobicContact CD2-CD1 3.64Å; F574-Y664 HydrophobicContact CD2-CE1 4.34Å; F574-Y664 AromaticContact CD2-CG 3.83Å; F574-Y664 HydrophobicContact CD2-CG 3.83Å; F574-Y664 HydrophobicContact CE1-CD1 4.31Å; F574-Y664 HydrophobicContact CE2-CD1 4.17Å; F574-Y664 AromaticContact CG-CD1 3.44Å; F574-Y664 HydrophobicContact CG-CD1 3.44Å; F574-Y664 VanDerWaalsContact CG-CD1 3.44Å; F574-Y664 AromaticContact CG-CE1 3.67Å; F574-Y664 HydrophobicContact CG-CE1 3.67Å; F574-Y664 AromaticContact CG-CG 3.92Å; F574-Y664 HydrophobicContact CG-CG 3.92Å; F574-Y664 HydrophobicContact CZ-CD1 4.48Å; C575-Y664 PolarHBondContact O-OH 3.05Å; C575-Y664 VanDerWaalsContact O-OH 3.05Å; Y576-Y664 HydrophobicContact CD2-CE2 4.34Å; Y576-Y664 HydrophobicContact CE1-CE2 4.02Å; Y576-Y664 HydrophobicContact CE2-CD2 4.14Å; Y576-Y664 AromaticContact CE2-CE2 3.55Å; Y576-Y664 HydrophobicContact CE2-CE2 3.55Å; Y576-Y664 AromaticContact CZ-CD2 3.97Å; Y576-Y664 AromaticContact CZ-CE2 3.36Å; Y576-Y664 WeakPolarHBondContact OH-CD2 3.44Å; Y576-Y664 VanDerWaalsContact OH-CE2 3.24Å; Y576-Y664 WeakPolarHBondContact OH-CE2 3.31Å; L585-Y664 HydrophobicContact CD1-CD2 3.8Å; L585-Y664 HydrophobicContact CD1-CG 4.13Å; L585-Y664 HydrophobicContact CD2-CD2 4.28Å; L585-Y664 HydrophobicContact CG-CD2 4.27Å; P661-Y664 HydrophobicContact CG-CD2 4.48Å; P661-Y664 PolarHBondContact O-N 3.09Å; G662-Y664 VanDerWaalsContact C-N 3.31Å; G662-Y664 PolarHBondContact O-N 3.18Å; Y664-V666 VanDerWaalsContact C-N 3.29Å; Y664-I667 HydrophobicContact CD1-CD1 4.43Å; Y664-G668 WeakPolarHBondContact O-CA 3.43Å; Y664-G668 PolarHBondContact O-N 3.25Å
665R97.5Very high95.1Very high16 Ų1625.6 Ų25.66%0.0614%0.136CC..Hα-helixtrans-60.6-40.3164-59.1-173.579.9157.73.8111.1H529 E593 D597 W641 H659 S660 P661 G662 S669H529-R665 PolarHBondContact CE1-NH2 3.39Å; E593-R665 IonicContact OE2-NH2 2.62Å; D597-R665 IonicContact OD1-CZ 2.81Å; D597-R665 IonicContact OD1-NE 3.65Å; D597-R665 PolarHBondContact OD1-NE 3.22Å; D597-R665 IonicContact OD1-NH2 3.54Å; D597-R665 PolarHBondContact OD1-NH2 2.68Å; D597-R665 WeakPolarHBondContact OD2-CB 3.48Å; D597-R665 VanDerWaalsContact OD2-CG 3.29Å; D597-R665 WeakPolarHBondContact OD2-CG 3.49Å; D597-R665 IonicContact OD2-CZ 3.06Å; D597-R665 IonicContact OD2-NE 2.69Å; D597-R665 PolarHBondContact OD2-NE 2.92Å; D597-R665 IonicContact OD2-NH2 2.72Å; D597-R665 PolarHBondContact OD2-NH2 3.36Å; W641-R665 HydrophobicContact CD2-CB 4.36Å; H659-R665 PolarHBondContact CD2-NH1 3.37Å; S660-R665 VanDerWaalsContact O-CD 3.28Å; S660-R665 WeakPolarHBondContact O-CD 3.41Å; S660-R665 VanDerWaalsContact O-CG 3.26Å; S660-R665 WeakPolarHBondContact O-CG 3.28Å; P661-R665 PolarHBondContact O-N 3.11Å; P661-R665 VanDerWaalsContact O-N 3.1Å; G662-R665 PolarHBondContact O-N 3.42Å; R665-S669 VanDerWaalsContact O-CB 3.23Å; R665-S669 WeakPolarHBondContact O-CB 3.46Å; R665-S669 PolarHBondContact O-N 3.09Å; R665-S669 PolarHBondContact O-OG 3.39Å
666V96.3Very high95.6Very high7 Ų725 Ų254%0.04213%0.131CC..Hα-helixtrans-70.7-54.7174.1175.70000111.6F13 F637 A638 W641 G662 Y664 L670F13-V666 HydrophobicContact CB-CG1 4.19Å; F13-V666 HydrophobicContact CD1-CG1 3.92Å; F637-V666 HydrophobicContact CE1-CG2 4.48Å; A638-V666 HydrophobicContact CB-CG1 3.8Å; A638-V666 HydrophobicContact CB-CG2 4.1Å; W641-V666 HydrophobicContact CB-CG2 3.51Å; W641-V666 HydrophobicContact CG-CG2 3.77Å; G662-V666 WeakPolarHBondContact O-CG2 3.48Å; G662-V666 PolarHBondContact O-N 3.06Å; G662-V666 VanDerWaalsContact O-N 3.11Å; Y664-V666 VanDerWaalsContact C-N 3.29Å; V666-L670 HydrophobicContact CG1-CD1 3.78Å; V666-L670 HydrophobicContact CG1-CG 4.49Å; V666-L670 WeakPolarHBondContact O-CB 3.34Å; V666-L670 VanDerWaalsContact O-CG 3.26Å; V666-L670 WeakPolarHBondContact O-CG 3.36Å; V666-L670 PolarHBondContact O-N 3.16Å; V666-L670 VanDerWaalsContact O-N 3.08Å
667I95.7Very high95.9Very high3 Ų327.2 Ų27.22%0.01514%0.136CC..Hα-helixtrans-65.3-49.1-172.9-69.8166.5000111F574 E663 Y664 S669 Q671 M688F574-I667 HydrophobicContact CE1-CG2 4.28Å; F574-I667 HydrophobicContact CZ-CG2 4.2Å; E663-I667 WeakPolarHBondContact O-CB 3.14Å; E663-I667 VanDerWaalsContact O-CG1 3.24Å; E663-I667 WeakPolarHBondContact O-CG1 3.49Å; E663-I667 PolarHBondContact O-N 3.21Å; Y664-I667 HydrophobicContact CD1-CD1 4.43Å; I667-S669 PolarHBondContact O-N 3.09Å; I667-Q671 HydrophobicContact CG2-CG 4.21Å; I667-Q671 VanDerWaalsContact O-CB 3.28Å; I667-Q671 WeakPolarHBondContact O-CB 3.43Å; I667-Q671 WeakPolarHBondContact O-CG 3.36Å; I667-Q671 PolarHBondContact O-N 2.95Å; I667-M688 HydrophobicContact CG1-SD 4.19Å; I667-M688 HydrophobicContact CG2-SD 4.16Å
668G97Very high96.2Very high0 Ų029.9 Ų29.90%015%0.146CC..Hα-helixtrans-60.6-46.9-177.300000112.3Q570 Y664 N672Q570-G668 PolarHBondContact NE2-O 3.08Å; Y664-G668 WeakPolarHBondContact O-CA 3.43Å; Y664-G668 PolarHBondContact O-N 3.25Å; G668-N672 PolarHBondContact O-ND2 3.42Å; G668-N672 VanDerWaalsContact O-ND2 3.15Å
669S98Very high96.4Very high1 Ų128.4 Ų28.41%0.00714%0.141CC..Hα-helixtrans-67.7-43.8-179.9-580000113Y571 D597 N598 R665 I667 N672 S673Y571-S669 PolarHBondContact OH-N 3.3Å; D597-S669 VanDerWaalsContact CB-OG 3.3Å; D597-S669 WeakPolarHBondContact CB-OG 3.44Å; N598-S669 WeakPolarHBondContact OD1-CA 3.5Å; R665-S669 VanDerWaalsContact O-CB 3.23Å; R665-S669 WeakPolarHBondContact O-CB 3.46Å; R665-S669 PolarHBondContact O-N 3.09Å; R665-S669 PolarHBondContact O-OG 3.39Å; I667-S669 PolarHBondContact O-N 3.09Å; S669-N672 PolarHBondContact O-N 3.23Å; S669-S673 PolarHBondContact O-N 3.23Å
670L97.6Very high96.4Very high0 Ų026.5 Ų26.50%013%0.132CC..Hα-helixtrans-73-29.3179.8-63.4-178.1000113F13 F634 F637 V666 N672 S673 F676 M688F13-L670 HydrophobicContact CB-CD1 4.05Å; F13-L670 HydrophobicContact CD1-CD1 3.29Å; F13-L670 HydrophobicContact CD2-CD1 4.44Å; F13-L670 HydrophobicContact CE1-CD1 3.76Å; F13-L670 HydrophobicContact CG-CD1 3.67Å; F634-L670 HydrophobicContact CD1-CD2 3.66Å; F634-L670 HydrophobicContact CE1-CD2 4.17Å; F637-L670 HydrophobicContact CD1-CD1 4.33Å; F637-L670 HydrophobicContact CD1-CD2 3.89Å; F637-L670 HydrophobicContact CD1-CG 4.18Å; F637-L670 HydrophobicContact CE1-CD1 4.42Å; F637-L670 HydrophobicContact CE1-CD2 3.94Å; F637-L670 HydrophobicContact CE1-CG 3.95Å; V666-L670 HydrophobicContact CG1-CD1 3.78Å; V666-L670 HydrophobicContact CG1-CG 4.49Å; V666-L670 WeakPolarHBondContact O-CB 3.34Å; V666-L670 VanDerWaalsContact O-CG 3.26Å; V666-L670 WeakPolarHBondContact O-CG 3.36Å; V666-L670 PolarHBondContact O-N 3.16Å; V666-L670 VanDerWaalsContact O-N 3.08Å; L670-N672 PolarHBondContact O-N 3.21Å; L670-S673 PolarHBondContact O-N 2.96Å; L670-F676 HydrophobicContact CB-CD1 4.06Å; L670-F676 HydrophobicContact CB-CD2 4.27Å; L670-F676 HydrophobicContact CB-CE1 4.36Å; L670-F676 HydrophobicContact CB-CG 4.03Å; L670-F676 HydrophobicContact CD1-CD2 4.01Å; L670-F676 HydrophobicContact CD1-CE2 3.94Å; L670-F676 HydrophobicContact CD1-CZ 4.47Å; L670-F676 HydrophobicContact CD2-CB 4.13Å; L670-F676 HydrophobicContact CD2-CD2 3.93Å; L670-F676 HydrophobicContact CD2-CG 4.06Å; L670-F676 HydrophobicContact CG-CD2 4.29Å; L670-F676 HydrophobicContact CG-CG 4.44Å; L670-F676 WeakPolarHBondContact O-CD1 3.34Å; L670-M688 HydrophobicContact CB-CE 3.65Å; L670-M688 HydrophobicContact CD1-CE 4.37Å
671Q97.3Very high96.4Very high27 Ų2733.1 Ų33.113%0.12617%0.167CC..Hα-helixtrans-59.4-27.8170.9-83.6-179.9-21.900112.8I667 R687 P690I667-Q671 HydrophobicContact CG2-CG 4.21Å; I667-Q671 VanDerWaalsContact O-CB 3.28Å; I667-Q671 WeakPolarHBondContact O-CB 3.43Å; I667-Q671 WeakPolarHBondContact O-CG 3.36Å; I667-Q671 PolarHBondContact O-N 2.95Å; Q671-R687 WeakPolarHBondContact CG-O 3.42Å; Q671-R687 PolarHBondContact NE2-O 3.22Å; Q671-P690 HydrophobicContact CB-CG 3.99Å; Q671-P690 HydrophobicContact CG-CG 4.22Å; Q671-P690 WeakPolarHBondContact O-CD 3.24Å
672N97.6Very high96.4Very high14 Ų1432.8 Ų32.88%0.07517%0.165CC..THydrogen-bonded Turntrans-95.4-6.1-179.4-65.9-32.3000113.7Q570 N598 G668 S669 L670 S693 C694Q570-N672 PolarHBondContact NE2-ND2 3.08Å; Q570-N672 PolarHBondContact NE2-OD1 2.75Å; Q570-N672 PolarHBondContact OE1-ND2 3.28Å; N598-N672 VanDerWaalsContact OD1-CB 3.28Å; N598-N672 WeakPolarHBondContact OD1-CB 3.37Å; N598-N672 PolarHBondContact OD1-ND2 3.04Å; G668-N672 PolarHBondContact O-ND2 3.42Å; G668-N672 VanDerWaalsContact O-ND2 3.15Å; S669-N672 PolarHBondContact O-N 3.23Å; L670-N672 PolarHBondContact O-N 3.21Å; N672-S693 WeakPolarHBondContact OD1-CA 3.35Å; N672-C694 WeakPolarHBondContact CB-O 3.48Å; N672-C694 VanDerWaalsContact CG-O 3.23Å; N672-C694 PolarHBondContact ND2-O 3.31Å; N672-C694 PolarHBondContact OD1-N 3.34Å
673S97.3Very high96.4Very high15 Ų1535.2 Ų35.211%0.10518%0.178CC..  trans-91.1113.1-175.9175.70000112S669 L670 D675 F676 R677S669-S673 PolarHBondContact O-N 3.23Å; L670-S673 PolarHBondContact O-N 2.96Å; S673-D675 VanDerWaalsContact C-N 3.28Å; S673-D675 PolarHBondContact O-N 3.3Å; S673-F676 PolarHBondContact O-N 3.04Å; S673-F676 WeakPolarHBondContact OG-CB 3.21Å; S673-F676 PolarHBondContact OG-N 3.41Å; S673-R677 PolarHBondContact O-N 3.41Å
674E95.6Very high96.5Very high105 Ų10537.3 Ų37.349%0.49120%0.195SC..Hα-helixtrans-65.2-35.5171.8-164.7-172.1159.300111.7R677 K678E674-R677 WeakPolarHBondContact O-CB 3.35Å; E674-R677 PolarHBondContact O-N 3.16Å; E674-R677 IonicContact OE1-NH2 3.23Å; E674-R677 PolarHBondContact OE1-NH2 3.48Å; E674-K678 VanDerWaalsContact CD-NZ 3.32Å; E674-K678 HydrophobicContact CG-CD 4.49Å; E674-K678 WeakPolarHBondContact O-CG 3.3Å; E674-K678 PolarHBondContact O-N 3.45Å; E674-K678 WeakPolarHBondContact OE1-CE 3.41Å; E674-K678 IonicContact OE1-NZ 2.8Å; E674-K678 PolarHBondContact OE1-NZ 2.92Å; E674-K678 IonicContact OE2-NZ 2.8Å
675D96.9Very high96.4Very high45 Ų4539.3 Ų39.324%0.24122%0.22CC..Hα-helixtrans-64.5-42.9178.4-61.4-46.7000111.8F605 F634 S673 R677 K678 A679F605-D675 HydrophobicContact CD1-CB 3.54Å; F605-D675 HydrophobicContact CE1-CB 3.48Å; F605-D675 VanDerWaalsContact CE1-CB 3.48Å; F605-D675 HydrophobicContact CG-CB 4.32Å; F605-D675 HydrophobicContact CZ-CB 4.22Å; F634-D675 HydrophobicContact CZ-CB 3.87Å; S673-D675 VanDerWaalsContact C-N 3.28Å; S673-D675 PolarHBondContact O-N 3.3Å; D675-R677 VanDerWaalsContact C-N 3.34Å; D675-R677 PolarHBondContact O-N 3.41Å; D675-K678 PolarHBondContact O-N 3.2Å; D675-A679 WeakPolarHBondContact O-CB 3.27Å; D675-A679 PolarHBondContact O-N 3.28Å
676F97.4Very high96.2Very high0 Ų041.9 Ų41.90%023%0.232CC..Hα-helixtrans-58.5-47.7172.2169.4-98.8000111.3F13 F634 L670 S673 K678 A679 F680 M688F13-F676 AromaticContact CD2-CE2 3.55Å; F13-F676 HydrophobicContact CD2-CE2 3.55Å; F13-F676 AromaticContact CD2-CZ 3.68Å; F13-F676 HydrophobicContact CD2-CZ 3.68Å; F13-F676 AromaticContact CE2-CE2 3.47Å; F13-F676 HydrophobicContact CE2-CE2 3.47Å; F13-F676 VanDerWaalsContact CE2-CE2 3.47Å; F13-F676 HydrophobicContact CE2-CZ 4.02Å; F13-F676 HydrophobicContact CG-CE2 4.17Å; F13-F676 HydrophobicContact CG-CZ 4.32Å; F13-F676 AromaticContact CZ-CE2 3.98Å; F13-F676 HydrophobicContact CZ-CE2 3.98Å; F634-F676 HydrophobicContact CB-CD2 4.19Å; F634-F676 HydrophobicContact CD1-CB 4.13Å; F634-F676 HydrophobicContact CD1-CD2 4.11Å; F634-F676 HydrophobicContact CD2-CD2 4.3Å; F634-F676 HydrophobicContact CE1-CB 3.84Å; F634-F676 HydrophobicContact CE2-CB 4.33Å; F634-F676 AromaticContact CG-CD2 3.93Å; F634-F676 HydrophobicContact CG-CD2 3.93Å; F634-F676 HydrophobicContact CZ-CB 3.97Å; F634-F676 VanDerWaalsContact CZ-N 3.32Å; L670-F676 HydrophobicContact CB-CD1 4.06Å; L670-F676 HydrophobicContact CB-CD2 4.27Å; L670-F676 HydrophobicContact CB-CE1 4.36Å; L670-F676 HydrophobicContact CB-CG 4.03Å; L670-F676 HydrophobicContact CD1-CD2 4.01Å; L670-F676 HydrophobicContact CD1-CE2 3.94Å; L670-F676 HydrophobicContact CD1-CZ 4.47Å; L670-F676 HydrophobicContact CD2-CB 4.13Å; L670-F676 HydrophobicContact CD2-CD2 3.93Å; L670-F676 HydrophobicContact CD2-CG 4.06Å; L670-F676 HydrophobicContact CG-CD2 4.29Å; L670-F676 HydrophobicContact CG-CG 4.44Å; L670-F676 WeakPolarHBondContact O-CD1 3.34Å; S673-F676 PolarHBondContact O-N 3.04Å; S673-F676 WeakPolarHBondContact OG-CB 3.21Å; S673-F676 PolarHBondContact OG-N 3.41Å; F676-K678 VanDerWaalsContact C-N 3.3Å; F676-K678 PolarHBondContact O-N 3.2Å; F676-A679 PolarHBondContact O-N 3.2Å; F676-F680 AromaticContact CD2-CD2 3.62Å; F676-F680 HydrophobicContact CD2-CD2 3.62Å; F676-F680 AromaticContact CD2-CE2 3.91Å; F676-F680 HydrophobicContact CD2-CE2 3.91Å; F676-F680 AromaticContact CE2-CD2 3.35Å; F676-F680 HydrophobicContact CE2-CD2 3.35Å; F676-F680 AromaticContact CE2-CE2 3.65Å; F676-F680 HydrophobicContact CE2-CE2 3.65Å; F676-F680 HydrophobicContact CE2-CG 4.11Å; F676-F680 HydrophobicContact CZ-CD2 4.09Å; F676-F680 HydrophobicContact CZ-CG 4.45Å; F676-F680 PolarHBondContact O-N 3.45Å; F676-M688 HydrophobicContact CE1-CB 3.79Å; F676-M688 HydrophobicContact CE1-CE 4.37Å; F676-M688 HydrophobicContact CZ-CB 4.27Å; F676-M688 HydrophobicContact CZ-CE 4.44Å
677R96.5Very high96.1Very high75 Ų7548.3 Ų48.328%0.28326%0.256SS..Hα-helixtrans-58-43179-177.4-173.864.177.1-1.2111.3S673 E674 D675 N681 C682 A689S673-R677 PolarHBondContact O-N 3.41Å; E674-R677 WeakPolarHBondContact O-CB 3.35Å; E674-R677 PolarHBondContact O-N 3.16Å; E674-R677 IonicContact OE1-NH2 3.23Å; E674-R677 PolarHBondContact OE1-NH2 3.48Å; D675-R677 VanDerWaalsContact C-N 3.34Å; D675-R677 PolarHBondContact O-N 3.41Å; R677-N681 WeakPolarHBondContact O-CA 3.35Å; R677-N681 PolarHBondContact O-N 2.93Å; R677-N681 VanDerWaalsContact O-N 3.11Å; R677-C682 HydrophobicContact CG-CB 4.17Å; R677-C682 VanDerWaalsContact CG-O 3.24Å; R677-C682 WeakPolarHBondContact CG-O 3.44Å; R677-C682 PolarHBondContact O-N 2.74Å; R677-A689 HydrophobicContact CB-CB 4.47Å; R677-A689 HydrophobicContact CG-CB 3.87Å
678K96.8Very high96.1Very high107 Ų10748.2 Ų48.247%0.46526%0.256SS..Hα-helixtrans-66-51.1175.8-73.2170.3-178.21590111.4E674 D675 F676 F680 N681E674-K678 VanDerWaalsContact CD-NZ 3.32Å; E674-K678 HydrophobicContact CG-CD 4.49Å; E674-K678 WeakPolarHBondContact O-CG 3.3Å; E674-K678 PolarHBondContact O-N 3.45Å; E674-K678 WeakPolarHBondContact OE1-CE 3.41Å; E674-K678 IonicContact OE1-NZ 2.8Å; E674-K678 PolarHBondContact OE1-NZ 2.92Å; E674-K678 IonicContact OE2-NZ 2.8Å; D675-K678 PolarHBondContact O-N 3.2Å; F676-K678 VanDerWaalsContact C-N 3.3Å; F676-K678 PolarHBondContact O-N 3.2Å; K678-F680 VanDerWaalsContact C-N 3.27Å; K678-F680 PolarHBondContact O-N 2.86Å; K678-N681 PolarHBondContact O-N 2.97Å; K678-N681 VanDerWaalsContact O-N 3.12Å; K678-N681 PolarHBondContact O-OD1 3.41Å
679A96.6Very high96Very high15 Ų1548.4 Ų48.412%0.12426%0.257CS..Hα-helixtrans-59.1-35.6-176.500000112.9E630 Q631 F634 D675 F676E630-A679 HydrophobicContact CB-CB 4.41Å; Q631-A679 HydrophobicContact CG-CB 4.32Å; Q631-A679 VanDerWaalsContact CG-O 3.29Å; Q631-A679 WeakPolarHBondContact CG-O 3.32Å; Q631-A679 PolarHBondContact NE2-O 3.08Å; F634-A679 HydrophobicContact CD2-CB 3.92Å; F634-A679 HydrophobicContact CE2-CB 3.69Å; D675-A679 WeakPolarHBondContact O-CB 3.27Å; D675-A679 PolarHBondContact O-N 3.28Å; F676-A679 PolarHBondContact O-N 3.2Å
680F95.4Very high95.9Very high18 Ų1850.5 Ų50.58%0.07927%0.27CS..THydrogen-bonded Turntrans-1004178.4-75.7-85.9000114.9S9 F13 Q631 F634 M635 F676 K678 C682S9-F680 WeakPolarHBondContact OG-CD1 3.49Å; F13-F680 HydrophobicContact CE2-CD2 4.38Å; F13-F680 HydrophobicContact CE2-CE1 4.01Å; F13-F680 AromaticContact CE2-CE2 3.81Å; F13-F680 HydrophobicContact CE2-CE2 3.81Å; F13-F680 AromaticContact CE2-CZ 3.59Å; F13-F680 HydrophobicContact CE2-CZ 3.59Å; F13-F680 AromaticContact CZ-CE2 3.93Å; F13-F680 HydrophobicContact CZ-CE2 3.93Å; F13-F680 AromaticContact CZ-CZ 3.73Å; F13-F680 HydrophobicContact CZ-CZ 3.73Å; Q631-F680 HydrophobicContact CB-CE1 4.12Å; Q631-F680 HydrophobicContact CB-CE2 4.16Å; Q631-F680 HydrophobicContact CB-CZ 3.73Å; Q631-F680 HydrophobicContact CG-CD1 4.36Å; Q631-F680 HydrophobicContact CG-CD2 4.42Å; Q631-F680 HydrophobicContact CG-CE1 4.11Å; Q631-F680 HydrophobicContact CG-CE2 4.15Å; Q631-F680 HydrophobicContact CG-CZ 3.99Å; F634-F680 HydrophobicContact CB-CE2 3.84Å; F634-F680 HydrophobicContact CD2-CE2 4.13Å; F634-F680 HydrophobicContact CG-CE2 4.33Å; M635-F680 HydrophobicContact CG-CZ 4.41Å; F676-F680 AromaticContact CD2-CD2 3.62Å; F676-F680 HydrophobicContact CD2-CD2 3.62Å; F676-F680 AromaticContact CD2-CE2 3.91Å; F676-F680 HydrophobicContact CD2-CE2 3.91Å; F676-F680 AromaticContact CE2-CD2 3.35Å; F676-F680 HydrophobicContact CE2-CD2 3.35Å; F676-F680 AromaticContact CE2-CE2 3.65Å; F676-F680 HydrophobicContact CE2-CE2 3.65Å; F676-F680 HydrophobicContact CE2-CG 4.11Å; F676-F680 HydrophobicContact CZ-CD2 4.09Å; F676-F680 HydrophobicContact CZ-CG 4.45Å; F676-F680 PolarHBondContact O-N 3.45Å; K678-F680 VanDerWaalsContact C-N 3.27Å; K678-F680 PolarHBondContact O-N 2.86Å; F680-C682 PolarHBondContact O-N 2.93Å
681N96Very high95.7Very high144 Ų14454.6 Ų54.677%0.7731%0.305SS*.THydrogen-bonded Turntrans50.842.4-175.2-87.1-14.7000113.2R677 K678R677-N681 WeakPolarHBondContact O-CA 3.35Å; R677-N681 PolarHBondContact O-N 2.93Å; R677-N681 VanDerWaalsContact O-N 3.11Å; K678-N681 PolarHBondContact O-N 2.97Å; K678-N681 VanDerWaalsContact O-N 3.12Å; K678-N681 PolarHBondContact O-OD1 3.41Å
682C95.9Very high95.5Very high5 Ų560.9 Ų60.93%0.03433%0.332CS..PPolyproline II helixtrans-75.2130176.4-59.50000110.9C10 R677 F680 A689C10-C682 VanDerWaalsContact CA-SG 3.51Å; C10-C682 HydrophobicContact CB-CB 3.75Å; C10-C682 WeakPolarHBondContact CB-SG 3.45Å; C10-C682 WeakPolarHBondContact SG-CA 3.46Å; C10-C682 WeakPolarHBondContact SG-CB 3.37Å; C10-C682 CovalentContact SG-SG 2.04Å; C10-C682 PolarHBondContact SG-SG 3.37Å; R677-C682 HydrophobicContact CG-CB 4.17Å; R677-C682 VanDerWaalsContact CG-O 3.24Å; R677-C682 WeakPolarHBondContact CG-O 3.44Å; R677-C682 PolarHBondContact O-N 2.74Å; F680-C682 PolarHBondContact O-N 2.93Å; C682-A689 HydrophobicContact CB-CB 3.74Å
683S95.3Very high95.3Very high75 Ų7563.1 Ų63.152%0.52435%0.348SS..PPolyproline II helixtrans-73.1142174.4-51.20000110.7G685 Q686S683-G685 PolarHBondContact O-N 3.37Å; S683-Q686 WeakPolarHBondContact O-CB 3.46Å; S683-Q686 WeakPolarHBondContact O-CG 3.07Å; S683-Q686 PolarHBondContact O-N 3.07Å; S683-Q686 VanDerWaalsContact O-N 3.14Å
684V94.3Very high95.3Very high97 Ų9762.9 Ų62.959%0.58835%0.346SS*.THydrogen-bonded Turntrans-57.8132.9175.2179.80000109.9A691V684-A691 HydrophobicContact CG1-CB 3.97Å
685G93.1Very high95.3Very high57 Ų5760.7 Ų60.759%0.58834%0.34SS*.THydrogen-bonded Turntrans95-9.1-176.900000114.3S683 A689S683-G685 PolarHBondContact O-N 3.37Å; G685-A689 PolarHBondContact N-O 3.22Å
686Q94.2Very high95.2Very high69 Ų6958.9 Ų58.932%0.32233%0.331SS..BIsolated β-bridgetrans-67.7156.7167.1-68.1-175.9-54.700110.8C10 S683 M688 A689C10-Q686 HydrophobicContact CB-CB 4.43Å; S683-Q686 WeakPolarHBondContact O-CB 3.46Å; S683-Q686 WeakPolarHBondContact O-CG 3.07Å; S683-Q686 PolarHBondContact O-N 3.07Å; S683-Q686 VanDerWaalsContact O-N 3.14Å; Q686-M688 VanDerWaalsContact C-N 3.27Å; Q686-M688 PolarHBondContact O-N 3.25Å; Q686-A689 CarbonylContact O-C 3.5Å; Q686-A689 WeakPolarHBondContact O-CA 3.4Å; Q686-A689 PolarHBondContact O-N 2.87Å
687R93.3Very high95.2Very high143 Ų14359.2 Ų59.254%0.5433%0.332SS..THydrogen-bonded Turntrans-56.5-37.9-174.4-179.3170.2176.4-179.23.1113.4T11 Q671T11-R687 WeakPolarHBondContact O-CD 3.29Å; Q671-R687 WeakPolarHBondContact CG-O 3.42Å; Q671-R687 PolarHBondContact NE2-O 3.22Å
688M95.2Very high95.1Very high1 Ų158.4 Ų58.41%0.00533%0.334CS..THydrogen-bonded Turntrans-90.22.4177.2-62.6-62-50.600113.8S9 C10 F13 I667 L670 F676 Q686S9-M688 WeakPolarHBondContact O-CG 3.47Å; C10-M688 PolarHBondContact O-N 3.38Å; F13-M688 HydrophobicContact CB-CE 3.74Å; F13-M688 HydrophobicContact CB-SD 4.22Å; I667-M688 HydrophobicContact CG1-SD 4.19Å; I667-M688 HydrophobicContact CG2-SD 4.16Å; L670-M688 HydrophobicContact CB-CE 3.65Å; L670-M688 HydrophobicContact CD1-CE 4.37Å; F676-M688 HydrophobicContact CE1-CB 3.79Å; F676-M688 HydrophobicContact CE1-CE 4.37Å; F676-M688 HydrophobicContact CZ-CB 4.27Å; F676-M688 HydrophobicContact CZ-CE 4.44Å; Q686-M688 VanDerWaalsContact C-N 3.27Å; Q686-M688 PolarHBondContact O-N 3.25Å
689A95.5Very high95Very high4 Ų455.8 Ų55.83%0.03333%0.327CS..BIsolated β-bridgetrans-141.160.4177.400000109.9R677 C682 G685 Q686R677-A689 HydrophobicContact CB-CB 4.47Å; R677-A689 HydrophobicContact CG-CB 3.87Å; C682-A689 HydrophobicContact CB-CB 3.74Å; G685-A689 PolarHBondContact N-O 3.22Å; Q686-A689 CarbonylContact O-C 3.5Å; Q686-A689 WeakPolarHBondContact O-CA 3.4Å; Q686-A689 PolarHBondContact O-N 2.87Å
690P95.5Very high94.9Very high44 Ų4458.1 Ų58.129%0.28634%0.339SS..  trans-58.5153.1-179.427.2-35.8000111Q671 K692Q671-P690 HydrophobicContact CB-CG 3.99Å; Q671-P690 HydrophobicContact CG-CG 4.22Å; Q671-P690 WeakPolarHBondContact O-CD 3.24Å; P690-K692 PolarHBondContact O-N 2.93Å
691A93.6Very high94.9Very high87 Ų8760.5 Ų60.572%0.71935%0.354SS*.SBendtrans-64.2-24179.500000113.3V684V684-A691 HydrophobicContact CG1-CB 3.97Å
692K93.5Very high94.8Very high159 Ų15955.3 Ų55.369%0.69133%0.328SS*.SBendtrans-116.6118.6176.3-175.9176.7-179.5177.50109.2P690P690-K692 PolarHBondContact O-N 2.93Å
693S94.1Very high94.8Very high60 Ų6058.6 Ų58.642%0.4235%0.347SS..  trans-101.7155.3170.253.60000111.1N672N672-S693 WeakPolarHBondContact OD1-CA 3.35Å
694C96.7Very high94.7Very high10 Ų1057.4 Ų57.47%0.06834%0.335CS..  trans-105115.9171-63.30000109.2C566 I567 N672C566-C694 HydrophobicContact CB-CB 3.7Å; C566-C694 WeakPolarHBondContact CB-SG 3.37Å; C566-C694 PolarHBondContact O-SG 3.03Å; C566-C694 WeakPolarHBondContact SG-CA 3.2Å; C566-C694 WeakPolarHBondContact SG-CB 3.39Å; C566-C694 CovalentContact SG-SG 2.05Å; C566-C694 PolarHBondContact SG-SG 3.47Å; I567-C694 HydrophobicContact CD1-CB 3.54Å; I567-C694 HydrophobicContact CG1-CB 4.12Å; N672-C694 WeakPolarHBondContact CB-O 3.48Å; N672-C694 VanDerWaalsContact CG-O 3.23Å; N672-C694 PolarHBondContact ND2-O 3.31Å; N672-C694 PolarHBondContact OD1-N 3.34Å
695V94.8Very high94.8Very high59 Ų5954.4 Ų54.436%0.35832%0.315SS..  trans-128.2114.8-179.8-175.80000109.5K563 W697K563-V695 PolarHBondContact NZ-O 3.21Å; V695-W697 WeakPolarHBondContact CG1-O 3.4Å
696V96.4Very high94.9Very high8 Ų854.2 Ų54.25%0.04829%0.293CS..  trans-92.1-70.7175.2-176.40000109W391 F560 K563 I567 I595W391-V696 WeakPolarHBondContact CZ2-O 3.16Å; W391-V696 PolarHBondContact NE1-O 2.96Å; F560-V696 HydrophobicContact CD2-CG1 3.84Å; F560-V696 HydrophobicContact CE2-CG1 3.6Å; K563-V696 HydrophobicContact CB-CG1 4.48Å; K563-V696 HydrophobicContact CB-CG2 4.07Å; I567-V696 HydrophobicContact CG1-CG2 3.85Å; I595-V696 HydrophobicContact CG1-CG2 4.32Å; I595-V696 HydrophobicContact CG2-CG1 4.41Å
697W96.1Very high95Very high6 Ų652.8 Ų52.82%0.02329%0.29CS..  trans-93.70175.3-56.3108.9000111F382 I385 L389 W391 M392 F535 W552 F560 A599 K602 V695F382-W697 HydrophobicContact CE2-CB 4.3Å; F382-W697 HydrophobicContact CE2-CD2 4.37Å; F382-W697 HydrophobicContact CE2-CE3 4.25Å; F382-W697 HydrophobicContact CE2-CG 4.36Å; F382-W697 HydrophobicContact CZ-CD2 4.36Å; F382-W697 HydrophobicContact CZ-CE3 4.07Å; F382-W697 HydrophobicContact CZ-CZ3 4.49Å; I385-W697 WeakPolarHBondContact CG2-OXT 3.18Å; L389-W697 HydrophobicContact CD1-CE3 3.86Å; L389-W697 HydrophobicContact CD1-CZ3 3.99Å; L389-W697 VanDerWaalsContact CD2-OXT 3.29Å; L389-W697 WeakPolarHBondContact CD2-OXT 3.37Å; W391-W697 HydrophobicContact CH2-CH2 4.39Å; W391-W697 HydrophobicContact CZ2-CZ3 4.39Å; M392-W697 HydrophobicContact CE-CH2 3.6Å; M392-W697 HydrophobicContact CE-CZ3 3.5Å; M392-W697 VanDerWaalsContact CE-CZ3 3.5Å; F535-W697 HydrophobicContact CB-CD2 4.37Å; F535-W697 HydrophobicContact CB-CH2 3.91Å; F535-W697 HydrophobicContact CB-CZ2 3.42Å; F535-W697 VanDerWaalsContact CB-CZ2 3.42Å; F535-W697 HydrophobicContact CD1-CH2 4.25Å; F535-W697 HydrophobicContact CG-CH2 4.4Å; F535-W697 HydrophobicContact CG-CZ2 4.37Å; F535-W697 WeakPolarHBondContact O-CZ2 3.43Å; F535-W697 PolarHBondContact O-NE1 2.64Å; W552-W697 AromaticContact CH2-CH2 3.63Å; W552-W697 HydrophobicContact CH2-CH2 3.63Å; W552-W697 AromaticContact CH2-CZ2 3.94Å; W552-W697 HydrophobicContact CH2-CZ2 3.94Å; W552-W697 HydrophobicContact CZ2-CH2 4.2Å; W552-W697 HydrophobicContact CZ2-CZ2 4.41Å; F560-W697 HydrophobicContact CD2-CZ2 4.21Å; F560-W697 AromaticContact CE2-CZ2 3.76Å; F560-W697 HydrophobicContact CE2-CZ2 3.76Å; A599-W697 HydrophobicContact CB-CB 3.78Å; A599-W697 HydrophobicContact CB-CG 4.3Å; K602-W697 PolarHBondContact NZ-O 2.96Å; K602-W697 PolarHBondContact NZ-OXT 2.88Å; V695-W697 WeakPolarHBondContact CG1-O 3.4Å

Retrieved 697 of 697 residues in 3440.8 ms (Link to these results)

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