A0A077ZQB1_TRITR Loading...

NEDD4 binding protein 2 1

AlphaFold DB , UniProt , Accession A0A077ZQB1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 604 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
1M41Very low73.7Confident73 Ų7349.9 Ų49.936%0.3626%0.26SS..  0141.70-69.8-147.4177.900108.9Q3 I7 I303M1-Q3 PolarHBondContact O-N 3.29Å; M1-I7 HydrophobicContact CE-CD1 3.2Å; M1-I7 HydrophobicContact CE-CG1 3.78Å; M1-I7 HydrophobicContact SD-CD1 3.32Å; M1-I7 WeakPolarHBondContact SD-CD1 3.46Å; M1-I7 HydrophobicContact SD-CG1 3.48Å; M1-I7 WeakPolarHBondContact SD-CG1 3.37Å; M1-I303 HydrophobicContact CB-CD1 4.15Å
2N44.8Very low74.9Confident113 Ų11350 Ų5060%0.60426%0.258SS*.  trans-57135.3171.6-118.5-11.8000108.4D4 S5N2-D4 PolarHBondContact O-N 3.32Å; N2-D4 VanDerWaalsContact O-N 3.1Å; N2-S5 PolarHBondContact O-N 2.9Å; N2-S5 PolarHBondContact O-OG 3.21Å
3Q54.9Low76.2Confident157 Ų15750.3 Ų50.373%0.73426%0.255SS*.THydrogen-bonded Turntrans-58-23172.1-75.1-178.7-4.800111.2M1 S5M1-Q3 PolarHBondContact O-N 3.29Å; Q3-S5 PolarHBondContact O-N 3.46Å
4D74.6Confident77.2Confident97 Ų9747.2 Ų47.252%0.51924%0.239SC..THydrogen-bonded Turntrans-86.215.9176.3-53.8-26.5000113.6N2 V47 P48N2-D4 PolarHBondContact O-N 3.32Å; N2-D4 VanDerWaalsContact O-N 3.1Å; D4-V47 WeakPolarHBondContact O-CG1 3.29Å; D4-P48 HydrophobicContact CB-CG 3.93Å; D4-P48 WeakPolarHBondContact O-CD 3.49Å
5S82.2Confident78Confident19 Ų1951.5 Ų51.513%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-115.5141.1175.866.80000111.5N2 Q3 L49N2-S5 PolarHBondContact O-N 2.9Å; N2-S5 PolarHBondContact O-OG 3.21Å; Q3-S5 PolarHBondContact O-N 3.46Å; S5-L49 CarbonylContact C-O 3.55Å; S5-L49 VanDerWaalsContact CA-O 3.23Å; S5-L49 WeakPolarHBondContact CA-O 3.38Å
6V85.1Confident78.7Confident34 Ų3452.3 Ų52.321%0.20626%0.26CS..EExtended strand (participates in β ladder)trans-116.4122.6177.1173.70000108.4R38 A42 V47 L49 V50 I51V6-R38 HydrophobicContact CG1-CG 4.37Å; V6-A42 HydrophobicContact CB-CB 3.94Å; V6-A42 HydrophobicContact CG1-CB 3.96Å; V6-A42 HydrophobicContact CG2-CB 4.07Å; V6-V47 HydrophobicContact CB-CG1 4.19Å; V6-V47 HydrophobicContact CG2-CB 4.47Å; V6-V47 HydrophobicContact CG2-CG1 3.78Å; V6-V47 HydrophobicContact CG2-CG2 4.03Å; V6-L49 PolarHBondContact N-O 2.8Å; V6-V50 WeakPolarHBondContact O-CA 3.24Å; V6-I51 PolarHBondContact O-N 3.23Å
7I87.6Confident79.3Confident41 Ų4159.4 Ų59.421%0.2130%0.3CS..EExtended strand (participates in β ladder)trans-89.1135.7163.7-42.3171.9000107.8M1 R38 I51 D53M1-I7 HydrophobicContact CE-CD1 3.2Å; M1-I7 HydrophobicContact CE-CG1 3.78Å; M1-I7 HydrophobicContact SD-CD1 3.32Å; M1-I7 WeakPolarHBondContact SD-CD1 3.46Å; M1-I7 HydrophobicContact SD-CG1 3.48Å; M1-I7 WeakPolarHBondContact SD-CG1 3.37Å; I7-R38 PolarHBondContact O-NE 2.72Å; I7-R38 PolarHBondContact O-NH2 3Å; I7-I51 CarbonylContact C-O 3.58Å; I7-I51 WeakPolarHBondContact CA-O 3.4Å; I7-I51 HydrophobicContact CG2-CB 4.49Å; I7-I51 HydrophobicContact CG2-CG2 4.44Å; I7-D53 HydrophobicContact CG2-CB 3.64Å
8C86.4Confident79.8Confident0 Ų063.9 Ų63.90%033%0.325CS..EExtended strand (participates in β ladder)trans-121.4115.6172.2-57.70000108.3C35 A39 I51 I52 D53C8-C35 VanDerWaalsContact C-SG 3.51Å; C8-A39 HydrophobicContact CB-CB 4.05Å; C8-A39 WeakPolarHBondContact SG-CA 3.46Å; C8-A39 PolarHBondContact SG-N 3.25Å; C8-A39 VanDerWaalsContact SG-N 3.39Å; C8-I51 PolarHBondContact N-O 3.18Å; C8-I52 HydrophobicContact CB-CD1 4.15Å; C8-D53 PolarHBondContact O-N 2.97Å
9S87.9Confident80.2Confident9 Ų963.2 Ų63.26%0.06334%0.335CS..  trans-130141.6174.4179.40000109.4D11 E12 D53 N54S9-D11 PolarHBondContact O-N 3.35Å; S9-D11 PolarHBondContact OG-N 3.4Å; S9-E12 PolarHBondContact O-N 3.13Å; S9-D53 VanDerWaalsContact CB-O 3.26Å; S9-D53 WeakPolarHBondContact CB-O 3Å; S9-D53 PolarHBondContact OG-O 3.06Å; S9-N54 WeakPolarHBondContact CA-OD1 3.1Å
10A83.7Confident80.6Confident0 Ų064.1 Ų64.10%034%0.343CS..G310 helixtrans-62.4-31.6171.900000111.1E12 Y13 A31 C35 N54A10-E12 PolarHBondContact O-N 2.93Å; A10-Y13 WeakPolarHBondContact O-CB 3.19Å; A10-Y13 PolarHBondContact O-N 2.88Å; A10-A31 HydrophobicContact CB-CB 4.3Å; A10-C35 HydrophobicContact CB-CB 4.36Å; A10-N54 PolarHBondContact N-OD1 3.38Å
11D82.7Confident80.8Confident6 Ų663.2 Ų63.23%0.03234%0.335CS..G310 helixtrans-66.6-20.8-179.7-72.1-51.8000114.1S9 Y13 F14 Y21 D338 Q339S9-D11 PolarHBondContact O-N 3.35Å; S9-D11 PolarHBondContact OG-N 3.4Å; D11-Y13 PolarHBondContact O-N 3.49Å; D11-F14 PolarHBondContact O-N 2.87Å; D11-Y21 HydrophobicContact CB-CE2 3.79Å; D11-Y21 VanDerWaalsContact OD1-CE2 3.24Å; D11-Y21 WeakPolarHBondContact OD1-CE2 3.41Å; D11-Y21 PolarHBondContact OD1-OH 3.01Å; D11-D338 WeakPolarHBondContact OD2-CB 3.34Å; D11-Q339 PolarHBondContact OD2-N 2.91Å
12E88.3Confident83.1Confident51 Ų5162.9 Ų62.924%0.23834%0.337CS..G310 helixtrans-62.1-27.8171.3-72.5-175.5172.200112.3S9 A10 F14 K15 F34 R38S9-E12 PolarHBondContact O-N 3.13Å; A10-E12 PolarHBondContact O-N 2.93Å; E12-F14 VanDerWaalsContact C-N 3.28Å; E12-F14 PolarHBondContact O-N 3.37Å; E12-K15 PolarHBondContact O-N 2.8Å; E12-F34 HydrophobicContact CB-CE1 4.07Å; E12-R38 IonicContact OE1-CZ 3.2Å; E12-R38 IonicContact OE1-NH2 2.65Å; E12-R38 PolarHBondContact OE1-NH2 2.86Å; E12-R38 IonicContact OE2-CZ 3.4Å; E12-R38 IonicContact OE2-NE 3.87Å; E12-R38 PolarHBondContact OE2-NE 3.06Å; E12-R38 IonicContact OE2-NH1 2.75Å; E12-R38 PolarHBondContact OE2-NH1 3.42Å; E12-R38 IonicContact OE2-NH2 3.93Å; E12-R38 PolarHBondContact OE2-NH2 2.7Å
13Y91Very high85Confident54 Ų5459.6 Ų59.621%0.21232%0.318CS..G310 helixtrans-68.2-29.8178.2-174-93.9000112.7A10 D11 K15 R27 D30 A31 F34A10-Y13 WeakPolarHBondContact O-CB 3.19Å; A10-Y13 PolarHBondContact O-N 2.88Å; D11-Y13 PolarHBondContact O-N 3.49Å; Y13-K15 VanDerWaalsContact C-N 3.32Å; Y13-R27 HydrophobicContact CE1-CB 3.91Å; Y13-R27 PolarHBondContact OH-NE 2.79Å; Y13-R27 PolarHBondContact OH-NH2 3.47Å; Y13-D30 HydrophobicContact CE1-CB 4.16Å; Y13-D30 HydrophobicContact CE2-CB 4.24Å; Y13-D30 VanDerWaalsContact OH-CB 3.3Å; Y13-D30 WeakPolarHBondContact OH-CB 3.48Å; Y13-A31 HydrophobicContact CD1-CB 3.64Å; Y13-A31 HydrophobicContact CE1-CB 4.44Å; Y13-A31 HydrophobicContact CG-CB 3.76Å; Y13-F34 HydrophobicContact CD2-CB 3.56Å; Y13-F34 HydrophobicContact CD2-CD1 4.07Å; Y13-F34 HydrophobicContact CD2-CD2 4.18Å; Y13-F34 AromaticContact CD2-CG 3.68Å; Y13-F34 HydrophobicContact CD2-CG 3.68Å; Y13-F34 HydrophobicContact CE2-CB 4.12Å; Y13-F34 HydrophobicContact CG-CB 4.43Å
14F90Very high86.6Confident7 Ų755.8 Ų55.83%0.03130%0.3CS..G310 helixtrans-88.61.3-178.5-64.7-63.2000112.9D11 E12 Y21 V22 F23 E24 R27 L28 A31D11-F14 PolarHBondContact O-N 2.87Å; E12-F14 VanDerWaalsContact C-N 3.28Å; E12-F14 PolarHBondContact O-N 3.37Å; F14-Y21 HydrophobicContact CB-CD2 3.88Å; F14-Y21 HydrophobicContact CB-CE2 3.51Å; F14-Y21 HydrophobicContact CD2-CE2 4.22Å; F14-Y21 HydrophobicContact CG-CE2 4.28Å; F14-Y21 CarbonylContact O-C 3.48Å; F14-Y21 WeakPolarHBondContact O-CA 3.21Å; F14-V22 WeakPolarHBondContact CB-O 3.47Å; F14-V22 WeakPolarHBondContact CD1-O 3.5Å; F14-V22 PolarHBondContact O-N 3.45Å; F14-F23 HydrophobicContact CD1-CD2 4.23Å; F14-F23 AromaticContact CD2-CD2 3.88Å; F14-F23 HydrophobicContact CD2-CD2 3.88Å; F14-F23 HydrophobicContact CD2-CE2 4.35Å; F14-F23 HydrophobicContact CE1-CD2 4.04Å; F14-F23 HydrophobicContact CE1-CE2 4.38Å; F14-F23 AromaticContact CE2-CD2 3.67Å; F14-F23 HydrophobicContact CE2-CD2 3.67Å; F14-F23 AromaticContact CE2-CE2 3.7Å; F14-F23 HydrophobicContact CE2-CE2 3.7Å; F14-F23 HydrophobicContact CG-CD2 4.16Å; F14-F23 AromaticContact CZ-CD2 3.75Å; F14-F23 HydrophobicContact CZ-CD2 3.75Å; F14-F23 AromaticContact CZ-CE2 3.72Å; F14-F23 HydrophobicContact CZ-CE2 3.72Å; F14-E24 HydrophobicContact CE1-CB 4.24Å; F14-E24 WeakPolarHBondContact CE1-O 3.42Å; F14-R27 HydrophobicContact CE1-CB 4.31Å; F14-L28 HydrophobicContact CE2-CD1 4.47Å; F14-A31 HydrophobicContact CD2-CB 4.33Å; F14-A31 HydrophobicContact CE2-CB 3.53Å; F14-A31 HydrophobicContact CZ-CB 3.64Å
15K90.3Very high86.9Confident111 Ų11154.8 Ų54.848%0.48330%0.298SS..BIsolated β-bridgetrans-85.5121.6173.7-66.3177.6-174175.40109.6E12 Y13 V20 Y21E12-K15 PolarHBondContact O-N 2.8Å; Y13-K15 VanDerWaalsContact C-N 3.32Å; K15-V20 WeakPolarHBondContact CA-O 3.25Å; K15-Y21 HydrophobicContact CG-CD2 4.47Å
16N88.9Confident87.2Confident64 Ų6461.1 Ų61.134%0.34233%0.326SS..  trans-71.1177.9173.573.55.5000111.4D18 G19 V20N16-D18 PolarHBondContact O-N 2.78Å; N16-D18 VanDerWaalsContact O-N 3.09Å; N16-D18 WeakPolarHBondContact OD1-CA 3.49Å; N16-D18 WeakPolarHBondContact OD1-CB 3.25Å; N16-D18 PolarHBondContact OD1-N 2.79Å; N16-G19 PolarHBondContact O-N 3.44Å; N16-G19 PolarHBondContact OD1-N 3.34Å; N16-G19 VanDerWaalsContact OD1-N 3.11Å; N16-V20 PolarHBondContact N-O 3.43Å; N16-V20 WeakPolarHBondContact OD1-CB 3.19Å; N16-V20 PolarHBondContact OD1-N 3.07Å; N16-V20 PolarHBondContact OD1-O 2.72Å
17N88.5Confident87.4Confident174 Ų17464 Ų6493%0.9333%0.333SS*.THydrogen-bonded Turntrans-59.8-22.4179.5-66.2-27.1000113.7G19N17-G19 VanDerWaalsContact C-N 3.31Å
18D89.5Confident87.1Confident140 Ų14063.5 Ų63.575%0.74933%0.331SS*.THydrogen-bonded Turntrans-88.31.1177.1-54.6-48.6000112.3N16 V20N16-D18 PolarHBondContact O-N 2.78Å; N16-D18 VanDerWaalsContact O-N 3.09Å; N16-D18 WeakPolarHBondContact OD1-CA 3.49Å; N16-D18 WeakPolarHBondContact OD1-CB 3.25Å; N16-D18 PolarHBondContact OD1-N 2.79Å; D18-V20 VanDerWaalsContact C-N 3.28Å; D18-V20 HydrophobicContact CB-CG2 4.25Å; D18-V20 PolarHBondContact O-N 2.76Å
19G86.2Confident86.8Confident51 Ų5166.1 Ų66.153%0.52635%0.349SS..SBendtrans78.66.3-177.500000114.6N16 N17N16-G19 PolarHBondContact O-N 3.44Å; N16-G19 PolarHBondContact OD1-N 3.34Å; N16-G19 VanDerWaalsContact OD1-N 3.11Å; N17-G19 VanDerWaalsContact C-N 3.31Å
20V88Confident86.8Confident81 Ų8167.9 Ų67.949%0.49136%0.358SS..  trans-80.8130.7179-177.10000109.6K15 N16 D18K15-V20 WeakPolarHBondContact CA-O 3.25Å; N16-V20 PolarHBondContact N-O 3.43Å; N16-V20 WeakPolarHBondContact OD1-CB 3.19Å; N16-V20 PolarHBondContact OD1-N 3.07Å; N16-V20 PolarHBondContact OD1-O 2.72Å; D18-V20 VanDerWaalsContact C-N 3.28Å; D18-V20 HydrophobicContact CB-CG2 4.25Å; D18-V20 PolarHBondContact O-N 2.76Å
21Y85.5Confident87Confident45 Ų4567.9 Ų67.918%0.17636%0.358CS..BIsolated β-bridgetrans-76123.3177.5-173.3-94.2000111.2D11 F14 K15 F23 H98 Q339D11-Y21 HydrophobicContact CB-CE2 3.79Å; D11-Y21 VanDerWaalsContact OD1-CE2 3.24Å; D11-Y21 WeakPolarHBondContact OD1-CE2 3.41Å; D11-Y21 PolarHBondContact OD1-OH 3.01Å; F14-Y21 HydrophobicContact CB-CD2 3.88Å; F14-Y21 HydrophobicContact CB-CE2 3.51Å; F14-Y21 HydrophobicContact CD2-CE2 4.22Å; F14-Y21 HydrophobicContact CG-CE2 4.28Å; F14-Y21 CarbonylContact O-C 3.48Å; F14-Y21 WeakPolarHBondContact O-CA 3.21Å; K15-Y21 HydrophobicContact CG-CD2 4.47Å; Y21-F23 HydrophobicContact CE1-CB 3.68Å; Y21-F23 WeakPolarHBondContact OH-CD2 3.31Å; Y21-H98 AromaticContact CD1-CE1 3.59Å; Y21-H98 AromaticContact CD1-ND1 3.33Å; Y21-H98 VanDerWaalsContact CD1-ND1 3.33Å; Y21-H98 WeakPolarHBondContact CD1-ND1 3.38Å; Y21-H98 AromaticContact CD2-CE1 3.65Å; Y21-H98 HydrophobicContact CE1-CB 4.45Å; Y21-H98 AromaticContact CE1-CE1 3.93Å; Y21-H98 AromaticContact CE1-CG 3.99Å; Y21-H98 AromaticContact CE1-ND1 3.56Å; Y21-H98 AromaticContact CE2-CE1 3.99Å; Y21-H98 AromaticContact CG-CE1 3.42Å; Y21-H98 VanDerWaalsContact CG-CE1 3.42Å; Y21-H98 AromaticContact CG-ND1 3.69Å; Y21-Q339 VanDerWaalsContact CE1-OE1 3.24Å; Y21-Q339 WeakPolarHBondContact OH-CB 3.28Å; Y21-Q339 PolarHBondContact OH-OE1 3.04Å
22V88.7Confident87Confident66 Ų6670.5 Ų70.540%0.437%0.37SS..  trans-132.197.6178.7-176.50000108F14F14-V22 WeakPolarHBondContact CB-O 3.47Å; F14-V22 WeakPolarHBondContact CD1-O 3.5Å; F14-V22 PolarHBondContact O-N 3.45Å
23F85.5Confident87Confident45 Ų4574.3 Ų74.320%0.19738%0.382CS..  trans-75.8127.1179.8-174.5-115.5000111.3F14 Y21 P25 L28 Q339 T342F14-F23 HydrophobicContact CD1-CD2 4.23Å; F14-F23 AromaticContact CD2-CD2 3.88Å; F14-F23 HydrophobicContact CD2-CD2 3.88Å; F14-F23 HydrophobicContact CD2-CE2 4.35Å; F14-F23 HydrophobicContact CE1-CD2 4.04Å; F14-F23 HydrophobicContact CE1-CE2 4.38Å; F14-F23 AromaticContact CE2-CD2 3.67Å; F14-F23 HydrophobicContact CE2-CD2 3.67Å; F14-F23 AromaticContact CE2-CE2 3.7Å; F14-F23 HydrophobicContact CE2-CE2 3.7Å; F14-F23 HydrophobicContact CG-CD2 4.16Å; F14-F23 AromaticContact CZ-CD2 3.75Å; F14-F23 HydrophobicContact CZ-CD2 3.75Å; F14-F23 AromaticContact CZ-CE2 3.72Å; F14-F23 HydrophobicContact CZ-CE2 3.72Å; Y21-F23 HydrophobicContact CE1-CB 3.68Å; Y21-F23 WeakPolarHBondContact OH-CD2 3.31Å; F23-P25 HydrophobicContact CD1-CG 3.95Å; F23-P25 HydrophobicContact CE1-CB 4Å; F23-P25 HydrophobicContact CE1-CG 3.6Å; F23-P25 HydrophobicContact CZ-CB 4.39Å; F23-P25 HydrophobicContact CZ-CG 4.43Å; F23-L28 HydrophobicContact CE2-CD1 4.25Å; F23-Q339 VanDerWaalsContact CB-OE1 3.31Å; F23-T342 VanDerWaalsContact CE1-OG1 3.28Å; F23-T342 WeakPolarHBondContact CE1-OG1 3.24Å
24E87.6Confident87Confident77 Ų7775 Ų7536%0.3639%0.386SS..  trans-12497.8176.6-70.7173.4-172.900107.6F14 E26 R27F14-E24 HydrophobicContact CE1-CB 4.24Å; F14-E24 WeakPolarHBondContact CE1-O 3.42Å; E24-E26 PolarHBondContact O-N 3.11Å; E24-E26 VanDerWaalsContact O-N 3.1Å; E24-R27 HydrophobicContact CB-CB 4.42Å; E24-R27 HydrophobicContact CB-CG 4.35Å; E24-R27 PolarHBondContact O-N 3.36Å; E24-R27 WeakPolarHBondContact OE2-CD 3.29Å; E24-R27 IonicContact OE2-CZ 3.86Å; E24-R27 IonicContact OE2-NE 3.28Å; E24-R27 IonicContact OE2-NH1 2.82Å; E24-R27 PolarHBondContact OE2-NH1 2.74Å
25P82Confident86.9Confident75 Ų7574.7 Ų74.749%0.48739%0.385SS..G310 helixtrans-53.9-35.5-173.1-22.526.5000113.7F23 R27 L28F23-P25 HydrophobicContact CD1-CG 3.95Å; F23-P25 HydrophobicContact CE1-CB 4Å; F23-P25 HydrophobicContact CE1-CG 3.6Å; F23-P25 HydrophobicContact CZ-CB 4.39Å; F23-P25 HydrophobicContact CZ-CG 4.43Å; P25-R27 PolarHBondContact O-N 3Å; P25-R27 VanDerWaalsContact O-N 3.13Å; P25-L28 VanDerWaalsContact O-CB 3.28Å; P25-L28 WeakPolarHBondContact O-CB 3.5Å; P25-L28 PolarHBondContact O-N 3.02Å; P25-L28 VanDerWaalsContact O-N 3.14Å
26E87.5Confident86.7Confident153 Ų15371 Ų7172%0.71537%0.37SS*.G310 helixtrans-61.2-20.7178.4-61.1-179.4179.400113.3E24E24-E26 PolarHBondContact O-N 3.11Å; E24-E26 VanDerWaalsContact O-N 3.1Å
27R89.5Confident86.9Confident95 Ų9573.6 Ų73.636%0.35838%0.38SS..G310 helixtrans-105.511.1-178.6-60.4175.671.4-166.3-3.5113.2Y13 F14 E24 P25 S29 D30 A31Y13-R27 HydrophobicContact CE1-CB 3.91Å; Y13-R27 PolarHBondContact OH-NE 2.79Å; Y13-R27 PolarHBondContact OH-NH2 3.47Å; F14-R27 HydrophobicContact CE1-CB 4.31Å; E24-R27 HydrophobicContact CB-CB 4.42Å; E24-R27 HydrophobicContact CB-CG 4.35Å; E24-R27 PolarHBondContact O-N 3.36Å; E24-R27 WeakPolarHBondContact OE2-CD 3.29Å; E24-R27 IonicContact OE2-CZ 3.86Å; E24-R27 IonicContact OE2-NE 3.28Å; E24-R27 IonicContact OE2-NH1 2.82Å; E24-R27 PolarHBondContact OE2-NH1 2.74Å; P25-R27 PolarHBondContact O-N 3Å; P25-R27 VanDerWaalsContact O-N 3.13Å; R27-S29 VanDerWaalsContact C-N 3.28Å; R27-S29 PolarHBondContact O-N 3.45Å; R27-D30 HydrophobicContact CB-CB 4.49Å; R27-D30 WeakPolarHBondContact O-CA 3.07Å; R27-D30 WeakPolarHBondContact O-CB 3.38Å; R27-D30 PolarHBondContact O-N 3.27Å; R27-A31 PolarHBondContact O-N 3.47Å
28L82.1Confident87.2Confident29 Ų2969.8 Ų69.815%0.15235%0.353CS..Hα-helixtrans-57.7-40.9178.5-174.862.8000112.1F14 F23 P25 D30 A31 H32F14-L28 HydrophobicContact CE2-CD1 4.47Å; F23-L28 HydrophobicContact CE2-CD1 4.25Å; P25-L28 VanDerWaalsContact O-CB 3.28Å; P25-L28 WeakPolarHBondContact O-CB 3.5Å; P25-L28 PolarHBondContact O-N 3.02Å; P25-L28 VanDerWaalsContact O-N 3.14Å; L28-D30 VanDerWaalsContact C-N 3.29Å; L28-D30 PolarHBondContact O-N 3.21Å; L28-A31 WeakPolarHBondContact O-CB 3.18Å; L28-A31 PolarHBondContact O-N 3.13Å; L28-H32 PolarHBondContact O-CD2 2.94Å; L28-H32 PolarHBondContact O-N 3.21Å
29S80.5Confident87.2Confident56 Ų5663.1 Ų63.139%0.39232%0.317SS..Hα-helixtrans-60.5-39.5174.3550000112.4R27 R33R27-S29 VanDerWaalsContact C-N 3.28Å; R27-S29 PolarHBondContact O-N 3.45Å; S29-R33 WeakPolarHBondContact O-CB 3.11Å; S29-R33 PolarHBondContact O-N 3.16Å
30D87.2Confident87.2Confident45 Ų4562.4 Ų62.424%0.24130%0.303CS..Hα-helixtrans-71.5-37.9179.1-64.7-16000111.2Y13 R27 L28 R33 F34Y13-D30 HydrophobicContact CE1-CB 4.16Å; Y13-D30 HydrophobicContact CE2-CB 4.24Å; Y13-D30 VanDerWaalsContact OH-CB 3.3Å; Y13-D30 WeakPolarHBondContact OH-CB 3.48Å; R27-D30 HydrophobicContact CB-CB 4.49Å; R27-D30 WeakPolarHBondContact O-CA 3.07Å; R27-D30 WeakPolarHBondContact O-CB 3.38Å; R27-D30 PolarHBondContact O-N 3.27Å; L28-D30 VanDerWaalsContact C-N 3.29Å; L28-D30 PolarHBondContact O-N 3.21Å; D30-R33 PolarHBondContact O-N 3.32Å; D30-R33 IonicContact OD1-CZ 3.68Å; D30-R33 VanDerWaalsContact OD1-CZ 3.26Å; D30-R33 IonicContact OD1-NH1 3.86Å; D30-R33 PolarHBondContact OD1-NH1 3.32Å; D30-R33 IonicContact OD1-NH2 2.81Å; D30-R33 PolarHBondContact OD1-NH2 3.31Å; D30-F34 VanDerWaalsContact O-CB 3.29Å; D30-F34 WeakPolarHBondContact O-CB 3.36Å; D30-F34 PolarHBondContact O-N 3.19Å
31A86.8Confident87.4Confident0 Ų060.3 Ų60.30%029%0.293CS..Hα-helixtrans-62-45.8174.100000112A10 Y13 F14 R27 L28 F34 C35A10-A31 HydrophobicContact CB-CB 4.3Å; Y13-A31 HydrophobicContact CD1-CB 3.64Å; Y13-A31 HydrophobicContact CE1-CB 4.44Å; Y13-A31 HydrophobicContact CG-CB 3.76Å; F14-A31 HydrophobicContact CD2-CB 4.33Å; F14-A31 HydrophobicContact CE2-CB 3.53Å; F14-A31 HydrophobicContact CZ-CB 3.64Å; R27-A31 PolarHBondContact O-N 3.47Å; L28-A31 WeakPolarHBondContact O-CB 3.18Å; L28-A31 PolarHBondContact O-N 3.13Å; A31-F34 PolarHBondContact O-N 3.38Å; A31-C35 WeakPolarHBondContact O-CB 3.23Å; A31-C35 PolarHBondContact O-N 3.39Å
32H84.5Confident87.7Confident62 Ų6258.4 Ų58.429%0.28729%0.287SS..Hα-helixtrans-65-40.5174.3-74.6-61.8000112.3L28 C35 L36L28-H32 PolarHBondContact O-CD2 2.94Å; L28-H32 PolarHBondContact O-N 3.21Å; H32-C35 PolarHBondContact O-N 3.09Å; H32-L36 WeakPolarHBondContact O-CB 3.46Å; H32-L36 PolarHBondContact O-N 2.7Å
33R86.6Confident87.7Confident130 Ų13055.3 Ų55.349%0.49127%0.269SS..Hα-helixtrans-63.3-43.1175.4-174.116866.1-118.3-3.1111.7S29 D30 L36 Q37S29-R33 WeakPolarHBondContact O-CB 3.11Å; S29-R33 PolarHBondContact O-N 3.16Å; D30-R33 PolarHBondContact O-N 3.32Å; D30-R33 IonicContact OD1-CZ 3.68Å; D30-R33 VanDerWaalsContact OD1-CZ 3.26Å; D30-R33 IonicContact OD1-NH1 3.86Å; D30-R33 PolarHBondContact OD1-NH1 3.32Å; D30-R33 IonicContact OD1-NH2 2.81Å; D30-R33 PolarHBondContact OD1-NH2 3.31Å; R33-L36 PolarHBondContact O-N 2.9Å; R33-Q37 HydrophobicContact CG-CG 4.48Å; R33-Q37 WeakPolarHBondContact O-CB 3.29Å; R33-Q37 VanDerWaalsContact O-CG 3.27Å; R33-Q37 WeakPolarHBondContact O-CG 3.09Å; R33-Q37 PolarHBondContact O-N 2.87Å
34F92.1Very high87.9Confident69 Ų6958.7 Ų58.730%0.30329%0.285SS..Hα-helixtrans-58.9-49.8174.2167.3-96.5000111.6E12 Y13 D30 A31 L36 Q37 R38E12-F34 HydrophobicContact CB-CE1 4.07Å; Y13-F34 HydrophobicContact CD2-CB 3.56Å; Y13-F34 HydrophobicContact CD2-CD1 4.07Å; Y13-F34 HydrophobicContact CD2-CD2 4.18Å; Y13-F34 AromaticContact CD2-CG 3.68Å; Y13-F34 HydrophobicContact CD2-CG 3.68Å; Y13-F34 HydrophobicContact CE2-CB 4.12Å; Y13-F34 HydrophobicContact CG-CB 4.43Å; D30-F34 VanDerWaalsContact O-CB 3.29Å; D30-F34 WeakPolarHBondContact O-CB 3.36Å; D30-F34 PolarHBondContact O-N 3.19Å; A31-F34 PolarHBondContact O-N 3.38Å; F34-L36 PolarHBondContact O-N 3.11Å; F34-Q37 PolarHBondContact O-N 3.04Å; F34-R38 WeakPolarHBondContact O-CB 3.37Å; F34-R38 PolarHBondContact O-N 3.47Å
35C87.5Confident88.1Confident0 Ų061.1 Ų61.10%030%0.3CS..Hα-helixtrans-60-45178.2-179.50000111.6C8 A10 A31 H32 R38 A39 N54 Y65C8-C35 VanDerWaalsContact C-SG 3.51Å; A10-C35 HydrophobicContact CB-CB 4.36Å; A31-C35 WeakPolarHBondContact O-CB 3.23Å; A31-C35 PolarHBondContact O-N 3.39Å; H32-C35 PolarHBondContact O-N 3.09Å; C35-R38 PolarHBondContact O-N 3.1Å; C35-A39 WeakPolarHBondContact O-CB 3.41Å; C35-A39 PolarHBondContact O-N 3.12Å; C35-N54 PolarHBondContact SG-ND2 3.15Å; C35-Y65 PolarHBondContact SG-OH 2.81Å
36L86.1Confident88.4Confident33 Ų3363.3 Ų63.317%0.17330%0.302CS..Hα-helixtrans-62.3-47176.5-179.562.6000112.1H32 R33 F34 R38 A39 V40 R64 Y65H32-L36 WeakPolarHBondContact O-CB 3.46Å; H32-L36 PolarHBondContact O-N 2.7Å; R33-L36 PolarHBondContact O-N 2.9Å; F34-L36 PolarHBondContact O-N 3.11Å; L36-R38 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 2.71Å; L36-A39 PolarHBondContact O-N 3.18Å; L36-V40 HydrophobicContact CD1-CG2 4Å; L36-V40 HydrophobicContact CG-CG2 4.28Å; L36-V40 VanDerWaalsContact O-CG2 3.26Å; L36-V40 WeakPolarHBondContact O-CG2 3.43Å; L36-V40 PolarHBondContact O-N 3.13Å; L36-R64 HydrophobicContact CD1-CB 3.78Å; L36-R64 HydrophobicContact CD2-CB 3.98Å; L36-R64 HydrophobicContact CD2-CG 4.41Å; L36-Y65 HydrophobicContact CB-CE1 4.29Å; L36-Y65 HydrophobicContact CD1-CD1 3.85Å; L36-Y65 HydrophobicContact CD1-CE1 3.82Å; L36-Y65 HydrophobicContact CD1-CG 4.4Å
37Q92.7Very high88.3Confident119 Ų11957.2 Ų57.256%0.55628%0.275SS*.Hα-helixtrans-59.8-44.2177.9-77.3175.3-13.800111.7R33 F34 A39 V40 A41R33-Q37 HydrophobicContact CG-CG 4.48Å; R33-Q37 WeakPolarHBondContact O-CB 3.29Å; R33-Q37 VanDerWaalsContact O-CG 3.27Å; R33-Q37 WeakPolarHBondContact O-CG 3.09Å; R33-Q37 PolarHBondContact O-N 2.87Å; F34-Q37 PolarHBondContact O-N 3.04Å; Q37-A39 VanDerWaalsContact C-N 3.33Å; Q37-A39 PolarHBondContact O-N 3.41Å; Q37-V40 PolarHBondContact O-N 3.13Å; Q37-A41 VanDerWaalsContact O-CB 3.23Å; Q37-A41 WeakPolarHBondContact O-CB 3.36Å; Q37-A41 PolarHBondContact O-N 3.21Å
38R94.4Very high88Confident95 Ų9555.6 Ų55.636%0.35828%0.277SS..Hα-helixtrans-61.4-42.1176.3-173.6-178.9165.3131.7-17111.8V6 I7 E12 F34 C35 L36 A42V6-R38 HydrophobicContact CG1-CG 4.37Å; I7-R38 PolarHBondContact O-NE 2.72Å; I7-R38 PolarHBondContact O-NH2 3Å; E12-R38 IonicContact OE1-CZ 3.2Å; E12-R38 IonicContact OE1-NH2 2.65Å; E12-R38 PolarHBondContact OE1-NH2 2.86Å; E12-R38 IonicContact OE2-CZ 3.4Å; E12-R38 IonicContact OE2-NE 3.87Å; E12-R38 PolarHBondContact OE2-NE 3.06Å; E12-R38 IonicContact OE2-NH1 2.75Å; E12-R38 PolarHBondContact OE2-NH1 3.42Å; E12-R38 IonicContact OE2-NH2 3.93Å; E12-R38 PolarHBondContact OE2-NH2 2.7Å; F34-R38 WeakPolarHBondContact O-CB 3.37Å; F34-R38 PolarHBondContact O-N 3.47Å; C35-R38 PolarHBondContact O-N 3.1Å; L36-R38 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 2.71Å; R38-A42 WeakPolarHBondContact O-CB 3.37Å; R38-A42 PolarHBondContact O-N 3.29Å
39A89.3Confident88.2Confident0 Ų056.3 Ų56.30%028%0.281CS..Hα-helixtrans-67.4-45.2178.300000112.2C8 C35 L36 Q37 A42 M43 V50 I52 Y65C8-A39 HydrophobicContact CB-CB 4.05Å; C8-A39 WeakPolarHBondContact SG-CA 3.46Å; C8-A39 PolarHBondContact SG-N 3.25Å; C8-A39 VanDerWaalsContact SG-N 3.39Å; C35-A39 WeakPolarHBondContact O-CB 3.41Å; C35-A39 PolarHBondContact O-N 3.12Å; L36-A39 PolarHBondContact O-N 3.18Å; Q37-A39 VanDerWaalsContact C-N 3.33Å; Q37-A39 PolarHBondContact O-N 3.41Å; A39-A42 PolarHBondContact O-N 2.91Å; A39-M43 HydrophobicContact CB-CE 4.23Å; A39-M43 VanDerWaalsContact O-CG 3.24Å; A39-M43 WeakPolarHBondContact O-CG 3.4Å; A39-M43 PolarHBondContact O-N 2.77Å; A39-V50 HydrophobicContact CB-CG1 4.39Å; A39-I52 HydrophobicContact CB-CD1 3.53Å; A39-Y65 HydrophobicContact CB-CD1 3.75Å; A39-Y65 HydrophobicContact CB-CE1 3.72Å
40V86.8Confident88.3Confident36 Ų3653.7 Ų53.722%0.21826%0.262CS..Hα-helixtrans-62.8-46176.8174.30000110.4L36 Q37 A42 M43 E44L36-V40 HydrophobicContact CD1-CG2 4Å; L36-V40 HydrophobicContact CG-CG2 4.28Å; L36-V40 VanDerWaalsContact O-CG2 3.26Å; L36-V40 WeakPolarHBondContact O-CG2 3.43Å; L36-V40 PolarHBondContact O-N 3.13Å; Q37-V40 PolarHBondContact O-N 3.13Å; V40-A42 VanDerWaalsContact C-N 3.31Å; V40-A42 PolarHBondContact O-N 2.96Å; V40-M43 CarbonylContact O-C 3.46Å; V40-M43 WeakPolarHBondContact O-CA 3.21Å; V40-M43 WeakPolarHBondContact O-CB 3.49Å; V40-M43 PolarHBondContact O-N 2.92Å; V40-E44 HydrophobicContact CG1-CG 4.26Å; V40-E44 WeakPolarHBondContact O-CG 3.36Å; V40-E44 PolarHBondContact O-N 3.45Å
41A93.1Very high88.3Confident36 Ų3651.8 Ų51.830%0.29825%0.252SS..Hα-helixtrans-61.2-38.4176.500000112.2Q37 M43 E44 N45Q37-A41 VanDerWaalsContact O-CB 3.23Å; Q37-A41 WeakPolarHBondContact O-CB 3.36Å; Q37-A41 PolarHBondContact O-N 3.21Å; A41-M43 VanDerWaalsContact C-N 3.35Å; A41-E44 PolarHBondContact O-N 3.15Å; A41-N45 VanDerWaalsContact O-CB 3.22Å; A41-N45 WeakPolarHBondContact O-CB 3.23Å; A41-N45 VanDerWaalsContact O-CG 3.25Å; A41-N45 PolarHBondContact O-N 2.85Å; A41-N45 PolarHBondContact O-ND2 3.3Å
42A91.2Very high88.3Confident6 Ų651.8 Ų51.85%0.0525%0.252CS..Hα-helixtrans-64.7-39.3173.600000112V6 R38 A39 V40 N45 K46 V47 V50 Y74V6-A42 HydrophobicContact CB-CB 3.94Å; V6-A42 HydrophobicContact CG1-CB 3.96Å; V6-A42 HydrophobicContact CG2-CB 4.07Å; R38-A42 WeakPolarHBondContact O-CB 3.37Å; R38-A42 PolarHBondContact O-N 3.29Å; A39-A42 PolarHBondContact O-N 2.91Å; V40-A42 VanDerWaalsContact C-N 3.31Å; V40-A42 PolarHBondContact O-N 2.96Å; A42-N45 CarbonylContact O-C 3.56Å; A42-K46 PolarHBondContact O-N 2.88Å; A42-K46 VanDerWaalsContact O-N 3.14Å; A42-V47 HydrophobicContact CB-CB 4.21Å; A42-V47 HydrophobicContact CB-CG2 3.95Å; A42-V47 VanDerWaalsContact O-CB 3.3Å; A42-V47 WeakPolarHBondContact O-CB 3.48Å; A42-V47 VanDerWaalsContact O-CG2 3.26Å; A42-V47 WeakPolarHBondContact O-CG2 3.34Å; A42-V47 PolarHBondContact O-N 3.38Å; A42-V50 HydrophobicContact CB-CG1 4.4Å; A42-V50 HydrophobicContact CB-CG2 3.77Å; A42-Y74 PolarHBondContact O-OH 3.33Å
43M89.3Confident88.4Confident1 Ų149.7 Ų49.71%0.00524%0.243CC..Hα-helixtrans-67.6-41.7176-66.7169.7-161.200112.5A39 V40 A41 K46 V50 I52 A69 H72 Y74 T328A39-M43 HydrophobicContact CB-CE 4.23Å; A39-M43 VanDerWaalsContact O-CG 3.24Å; A39-M43 WeakPolarHBondContact O-CG 3.4Å; A39-M43 PolarHBondContact O-N 2.77Å; V40-M43 CarbonylContact O-C 3.46Å; V40-M43 WeakPolarHBondContact O-CA 3.21Å; V40-M43 WeakPolarHBondContact O-CB 3.49Å; V40-M43 PolarHBondContact O-N 2.92Å; A41-M43 VanDerWaalsContact C-N 3.35Å; M43-K46 PolarHBondContact O-N 3.39Å; M43-K46 VanDerWaalsContact O-N 3.07Å; M43-V50 HydrophobicContact CE-CB 4.5Å; M43-V50 HydrophobicContact CE-CG1 4.04Å; M43-V50 HydrophobicContact CG-CG2 4.16Å; M43-I52 HydrophobicContact CE-CD1 4.47Å; M43-A69 HydrophobicContact CE-CB 3.98Å; M43-A69 VanDerWaalsContact SD-CA 3.54Å; M43-A69 HydrophobicContact SD-CB 3.87Å; M43-A69 PolarHBondContact SD-N 3.09Å; M43-A69 VanDerWaalsContact SD-N 3.39Å; M43-H72 HydrophobicContact CB-CB 4.13Å; M43-Y74 WeakPolarHBondContact CA-OH 3.49Å; M43-Y74 HydrophobicContact CB-CD2 4.36Å; M43-Y74 HydrophobicContact CB-CE2 3.73Å; M43-Y74 HydrophobicContact CG-CD2 4.23Å; M43-Y74 HydrophobicContact CG-CE2 3.87Å; M43-T328 HydrophobicContact CE-CG2 4.09Å
44E89.8Confident88.3Confident116 Ų11644 Ų4454%0.54222%0.222SC..Hα-helixtrans-63.6-43.7174.9-74.4173.7172.800111.6V40 A41 K46 H72V40-E44 HydrophobicContact CG1-CG 4.26Å; V40-E44 WeakPolarHBondContact O-CG 3.36Å; V40-E44 PolarHBondContact O-N 3.45Å; A41-E44 PolarHBondContact O-N 3.15Å; E44-K46 PolarHBondContact O-N 3.47Å; E44-K46 VanDerWaalsContact O-N 3.15Å; E44-H72 WeakPolarHBondContact CG-NE2 3.34Å
45N90.5Very high87.4Confident127 Ų12740.9 Ų40.968%0.67921%0.209SC*.THydrogen-bonded Turntrans-74.15.6173.4-70-42.9000113.2A41 A42 V47A41-N45 VanDerWaalsContact O-CB 3.22Å; A41-N45 WeakPolarHBondContact O-CB 3.23Å; A41-N45 VanDerWaalsContact O-CG 3.25Å; A41-N45 PolarHBondContact O-N 2.85Å; A41-N45 PolarHBondContact O-ND2 3.3Å; A42-N45 CarbonylContact O-C 3.56Å; N45-V47 HydrophobicContact CB-CG2 4.41Å; N45-V47 PolarHBondContact O-N 2.93Å; N45-V47 VanDerWaalsContact O-N 3.16Å
46K88.1Confident87.2Confident122 Ų12241 Ų4153%0.5321%0.21SC..THydrogen-bonded Turntrans60.230.2170.2-76.6172.3177.4173.80113.2A42 M43 E44 Y74 R326A42-K46 PolarHBondContact O-N 2.88Å; A42-K46 VanDerWaalsContact O-N 3.14Å; M43-K46 PolarHBondContact O-N 3.39Å; M43-K46 VanDerWaalsContact O-N 3.07Å; E44-K46 PolarHBondContact O-N 3.47Å; E44-K46 VanDerWaalsContact O-N 3.15Å; K46-Y74 VanDerWaalsContact C-OH 3.28Å; K46-Y74 WeakPolarHBondContact CA-OH 3.44Å; K46-R326 VanDerWaalsContact CG-NH1 3.33Å; K46-R326 WeakPolarHBondContact O-CD 3.45Å; K46-R326 PolarHBondContact O-NE 2.75Å
47V87Confident86.6Confident24 Ų2439.7 Ų39.715%0.14520%0.203CC..  trans-54.9124.4175.7173.20000109D4 V6 A42 N45 L49 V50 Y74D4-V47 WeakPolarHBondContact O-CG1 3.29Å; V6-V47 HydrophobicContact CB-CG1 4.19Å; V6-V47 HydrophobicContact CG2-CB 4.47Å; V6-V47 HydrophobicContact CG2-CG1 3.78Å; V6-V47 HydrophobicContact CG2-CG2 4.03Å; A42-V47 HydrophobicContact CB-CB 4.21Å; A42-V47 HydrophobicContact CB-CG2 3.95Å; A42-V47 VanDerWaalsContact O-CB 3.3Å; A42-V47 WeakPolarHBondContact O-CB 3.48Å; A42-V47 VanDerWaalsContact O-CG2 3.26Å; A42-V47 WeakPolarHBondContact O-CG2 3.34Å; A42-V47 PolarHBondContact O-N 3.38Å; N45-V47 HydrophobicContact CB-CG2 4.41Å; N45-V47 PolarHBondContact O-N 2.93Å; N45-V47 VanDerWaalsContact O-N 3.16Å; V47-L49 WeakPolarHBondContact CG1-O 3.39Å; V47-L49 PolarHBondContact O-N 3.08Å; V47-L49 VanDerWaalsContact O-N 3.16Å; V47-V50 HydrophobicContact CB-CG2 4.23Å; V47-V50 HydrophobicContact CG1-CG2 4.32Å; V47-Y74 PolarHBondContact N-OH 2.89Å; V47-Y74 VanDerWaalsContact N-OH 3.13Å; V47-Y74 WeakPolarHBondContact O-CE1 3.41Å; V47-Y74 VanDerWaalsContact O-CZ 3.32Å; V47-Y74 PolarHBondContact O-OH 3.16Å
48P82.5Confident85.8Confident62 Ų6236.3 Ų36.340%0.40319%0.186SC..SBendtrans-54.5-34.6-174.9-31.135000115.5D4 T327D4-P48 HydrophobicContact CB-CG 3.93Å; D4-P48 WeakPolarHBondContact O-CD 3.49Å; P48-T327 PolarHBondContact O-N 3.45Å
49L86.3Confident85.1Confident44 Ų4435.7 Ų35.723%0.2318%0.184CC..EExtended strand (participates in β ladder)trans-134.6117179.8178.660.4000112.4S5 V6 V47 I51 T327 I329S5-L49 CarbonylContact C-O 3.55Å; S5-L49 VanDerWaalsContact CA-O 3.23Å; S5-L49 WeakPolarHBondContact CA-O 3.38Å; V6-L49 PolarHBondContact N-O 2.8Å; V47-L49 WeakPolarHBondContact CG1-O 3.39Å; V47-L49 PolarHBondContact O-N 3.08Å; V47-L49 VanDerWaalsContact O-N 3.16Å; L49-I51 HydrophobicContact CD1-CG1 4.24Å; L49-I51 HydrophobicContact CD2-CD1 4.16Å; L49-I51 HydrophobicContact CD2-CG1 4.35Å; L49-I51 HydrophobicContact CG-CD1 4.41Å; L49-I51 HydrophobicContact CG-CG1 4.08Å; L49-T327 VanDerWaalsContact CA-O 3.24Å; L49-T327 WeakPolarHBondContact CA-O 3.48Å; L49-T327 HydrophobicContact CD1-CG2 4.08Å; L49-I329 HydrophobicContact CD1-CB 4.39Å; L49-I329 HydrophobicContact CD1-CD1 3.65Å; L49-I329 HydrophobicContact CD1-CG1 3.69Å
50V82.8Confident84.5Confident0 Ų041.9 Ų41.90%021%0.208CC..EExtended strand (participates in β ladder)trans-111.3123.6171.7-175.20000109.4V6 A39 A42 M43 V47 I52 Y74 T327 T328 I329V6-V50 WeakPolarHBondContact O-CA 3.24Å; A39-V50 HydrophobicContact CB-CG1 4.39Å; A42-V50 HydrophobicContact CB-CG1 4.4Å; A42-V50 HydrophobicContact CB-CG2 3.77Å; M43-V50 HydrophobicContact CE-CB 4.5Å; M43-V50 HydrophobicContact CE-CG1 4.04Å; M43-V50 HydrophobicContact CG-CG2 4.16Å; V47-V50 HydrophobicContact CB-CG2 4.23Å; V47-V50 HydrophobicContact CG1-CG2 4.32Å; V50-I52 HydrophobicContact CG1-CD1 3.96Å; V50-Y74 HydrophobicContact CG2-CE1 4.21Å; V50-T327 PolarHBondContact N-O 2.86Å; V50-T328 HydrophobicContact CB-CG2 4.47Å; V50-T328 WeakPolarHBondContact O-CA 3.49Å; V50-I329 PolarHBondContact O-N 3.41Å
51I87.5Confident84.2Confident5 Ų541.6 Ų41.63%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-110.1120.3178.4-59.6172.5000108.8V6 I7 C8 L49 I329 R331V6-I51 PolarHBondContact O-N 3.23Å; I7-I51 CarbonylContact C-O 3.58Å; I7-I51 WeakPolarHBondContact CA-O 3.4Å; I7-I51 HydrophobicContact CG2-CB 4.49Å; I7-I51 HydrophobicContact CG2-CG2 4.44Å; C8-I51 PolarHBondContact N-O 3.18Å; L49-I51 HydrophobicContact CD1-CG1 4.24Å; L49-I51 HydrophobicContact CD2-CD1 4.16Å; L49-I51 HydrophobicContact CD2-CG1 4.35Å; L49-I51 HydrophobicContact CG-CD1 4.41Å; L49-I51 HydrophobicContact CG-CG1 4.08Å; I51-I329 VanDerWaalsContact CA-O 3.32Å; I51-I329 WeakPolarHBondContact CA-O 3.41Å; I51-I329 HydrophobicContact CG1-CB 4.48Å; I51-R331 HydrophobicContact CG2-CG 4.13Å
52I87.3Confident83.7Confident0 Ų039.9 Ų39.90%019%0.19CC..EExtended strand (participates in β ladder)trans-92.6110.5171.1-46.3-53.6000108.1C8 A39 M43 V50 Y65 I329 V330 R331C8-I52 HydrophobicContact CB-CD1 4.15Å; A39-I52 HydrophobicContact CB-CD1 3.53Å; M43-I52 HydrophobicContact CE-CD1 4.47Å; V50-I52 HydrophobicContact CG1-CD1 3.96Å; I52-Y65 HydrophobicContact CD1-CD1 3.46Å; I52-Y65 VanDerWaalsContact CD1-CD1 3.46Å; I52-Y65 HydrophobicContact CD1-CE1 3.8Å; I52-Y65 HydrophobicContact CD1-CG 4.15Å; I52-Y65 HydrophobicContact CG1-CD1 3.79Å; I52-Y65 HydrophobicContact CG1-CE1 4.32Å; I52-Y65 HydrophobicContact CG1-CG 3.95Å; I52-Y65 HydrophobicContact CG2-CD1 4.08Å; I52-Y65 HydrophobicContact CG2-CD2 3.98Å; I52-Y65 HydrophobicContact CG2-CE1 3.92Å; I52-Y65 HydrophobicContact CG2-CE2 3.84Å; I52-Y65 HydrophobicContact CG2-CG 4.1Å; I52-I329 PolarHBondContact N-O 3.37Å; I52-V330 HydrophobicContact CG1-CG2 4.35Å; I52-R331 PolarHBondContact O-N 3.27Å; I52-R331 VanDerWaalsContact O-N 3.1Å
53D86.2Confident83.3Confident18 Ų1844.8 Ų44.810%0.09621%0.21CC..EExtended strand (participates in β ladder)trans-11062.9-175.1-161.727.9000110I7 C8 S9 F333I7-D53 HydrophobicContact CG2-CB 3.64Å; C8-D53 PolarHBondContact O-N 2.97Å; S9-D53 VanDerWaalsContact CB-O 3.26Å; S9-D53 WeakPolarHBondContact CB-O 3Å; S9-D53 PolarHBondContact OG-O 3.06Å; D53-F333 WeakPolarHBondContact OD1-CD2 3.39Å; D53-F333 WeakPolarHBondContact OD1-CE2 3.31Å
54N83.8Confident82.8Confident10 Ų1051.2 Ų51.25%0.05323%0.234CC..EExtended strand (participates in β ladder)trans-119.1169.6170.4-66-21.8000108.2S9 A10 C35 N56 Y65S9-N54 WeakPolarHBondContact CA-OD1 3.1Å; A10-N54 PolarHBondContact N-OD1 3.38Å; C35-N54 PolarHBondContact SG-ND2 3.15Å; N54-N56 VanDerWaalsContact C-N 3.34Å; N54-N56 PolarHBondContact O-N 2.74Å; N54-N56 PolarHBondContact O-ND2 2.96Å; N54-Y65 PolarHBondContact ND2-OH 3.46Å
55T74.4Confident82.6Confident4 Ų446.1 Ų46.13%0.02521%0.21CC..  trans-58.4-44.4178.357.80000112.2T57 M108 S340T55-T57 PolarHBondContact O-N 3.07Å; T55-M108 HydrophobicContact CG2-SD 4.18Å; T55-S340 PolarHBondContact OG1-O 3.26Å; T55-S340 PolarHBondContact OG1-OG 3.32Å; T55-S340 VanDerWaalsContact OG1-OG 3.12Å
56N81.8Confident82.2Confident3 Ų340.1 Ų40.12%0.01618%0.178CC..  trans51.340.2175.1-70.3-44000112.9N54 K58 E61 M62 R331 R332N54-N56 VanDerWaalsContact C-N 3.34Å; N54-N56 PolarHBondContact O-N 2.74Å; N54-N56 PolarHBondContact O-ND2 2.96Å; N56-K58 PolarHBondContact O-N 2.74Å; N56-E61 VanDerWaalsContact C-OE2 3.23Å; N56-E61 WeakPolarHBondContact CA-OE2 3.41Å; N56-M62 HydrophobicContact CB-CG 3.63Å; N56-M62 HydrophobicContact CB-SD 4.08Å; N56-R331 PolarHBondContact ND2-O 3.11Å; N56-R332 HydrophobicContact CB-CG 3.98Å; N56-R332 PolarHBondContact O-NE 3.41Å
57T74.7Confident81.6Confident6 Ų635.2 Ų35.24%0.03716%0.158CC..  trans-65.4-26.8-177.365.10000111.8T55 E61 M108 F112 E113 R332T55-T57 PolarHBondContact O-N 3.07Å; T57-E61 PolarHBondContact N-OE2 2.96Å; T57-E61 PolarHBondContact OG1-OE2 2.74Å; T57-M108 HydrophobicContact CG2-CB 4.22Å; T57-M108 HydrophobicContact CG2-CG 4.28Å; T57-M108 HydrophobicContact CG2-SD 4.5Å; T57-F112 HydrophobicContact CG2-CD2 4.19Å; T57-E113 PolarHBondContact O-N 3Å; T57-R332 PolarHBondContact O-NH2 3.4Å
58K75.4Confident81.3Confident47 Ų4734.7 Ų34.720%0.20416%0.155CC..SBendtrans-118.6149.5-176.3-65.6-62.1-161.5176.70113.8N56 W60 E61 M62 T111 E113N56-K58 PolarHBondContact O-N 2.74Å; K58-W60 VanDerWaalsContact C-N 3.29Å; K58-W60 VanDerWaalsContact CB-CD1 3.42Å; K58-W60 HydrophobicContact CB-CG 4.23Å; K58-W60 PolarHBondContact O-N 2.99Å; K58-E61 HydrophobicContact CB-CG 4.13Å; K58-E61 PolarHBondContact N-OE2 3.35Å; K58-E61 VanDerWaalsContact N-OE2 3.16Å; K58-E61 PolarHBondContact O-N 2.79Å; K58-M62 WeakPolarHBondContact O-CE 3.34Å; K58-T111 VanDerWaalsContact CD-O 3.26Å; K58-T111 WeakPolarHBondContact CD-O 3.31Å; K58-T111 VanDerWaalsContact CE-CB 3.43Å; K58-T111 WeakPolarHBondContact CE-O 3.26Å; K58-T111 PolarHBondContact NZ-O 3.49Å; K58-E113 HydrophobicContact CD-CG 3.87Å; K58-E113 WeakPolarHBondContact CD-OE1 3.08Å; K58-E113 IonicContact NZ-OE1 2.81Å
59R79.3Confident81.4Confident83 Ų8331.7 Ų31.731%0.31314%0.136SC..Hα-helixtrans-54.7-42.2172.4-79.1172.8-167.895.4-4.2113E61 M62 K63 E113 V116 D120 F121R59-E61 VanDerWaalsContact C-N 3.3Å; R59-E61 PolarHBondContact O-N 3.41Å; R59-M62 PolarHBondContact O-N 2.72Å; R59-M62 VanDerWaalsContact O-N 3.16Å; R59-K63 PolarHBondContact O-N 3.38Å; R59-E113 VanDerWaalsContact CB-OE2 3.24Å; R59-E113 WeakPolarHBondContact CB-OE2 3.46Å; R59-E113 WeakPolarHBondContact CD-OE2 2.96Å; R59-E113 WeakPolarHBondContact CG-OE2 3.38Å; R59-E113 IonicContact CZ-OE2 3.77Å; R59-E113 PolarHBondContact N-OE2 3.09Å; R59-E113 IonicContact NE-OE2 3.33Å; R59-E113 VanDerWaalsContact NH1-CD 3.27Å; R59-E113 IonicContact NH1-OE2 3.59Å; R59-E113 PolarHBondContact NH1-OE2 2.78Å; R59-V116 HydrophobicContact CG-CG1 4.18Å; R59-V116 HydrophobicContact CG-CG2 3.72Å; R59-D120 IonicContact CZ-OD2 3.91Å; R59-D120 IonicContact NE-OD2 2.95Å; R59-D120 PolarHBondContact NE-OD2 3.35Å; R59-D120 IonicContact NH2-OD2 3.19Å; R59-D120 PolarHBondContact NH2-OD2 3.34Å; R59-F121 HydrophobicContact CB-CE1 4.38Å; R59-F121 HydrophobicContact CB-CZ 4.49Å; R59-F121 HydrophobicContact CG-CZ 4.31Å; R59-F121 VanDerWaalsContact O-CE1 3.27Å; R59-F121 WeakPolarHBondContact O-CE1 3.31Å
60W77.8Confident81Confident129 Ų12932.6 Ų32.649%0.48914%0.137SC..Hα-helixtrans-63-36.3-176.370.8-98.7000112.5K58 M62 K63K58-W60 VanDerWaalsContact C-N 3.29Å; K58-W60 VanDerWaalsContact CB-CD1 3.42Å; K58-W60 HydrophobicContact CB-CG 4.23Å; K58-W60 PolarHBondContact O-N 2.99Å; W60-M62 VanDerWaalsContact C-N 3.32Å; W60-M62 PolarHBondContact O-N 2.85Å; W60-K63 WeakPolarHBondContact O-CB 3.16Å; W60-K63 PolarHBondContact O-N 3.3Å
61E78.8Confident80.7Confident31 Ų3141.5 Ų41.515%0.14517%0.171CC..Hα-helixtrans-61.6-39.9176-63.8171.6165.500111.5N56 T57 K58 R59N56-E61 VanDerWaalsContact C-OE2 3.23Å; N56-E61 WeakPolarHBondContact CA-OE2 3.41Å; T57-E61 PolarHBondContact N-OE2 2.96Å; T57-E61 PolarHBondContact OG1-OE2 2.74Å; K58-E61 HydrophobicContact CB-CG 4.13Å; K58-E61 PolarHBondContact N-OE2 3.35Å; K58-E61 VanDerWaalsContact N-OE2 3.16Å; K58-E61 PolarHBondContact O-N 2.79Å; R59-E61 VanDerWaalsContact C-N 3.3Å; R59-E61 PolarHBondContact O-N 3.41Å
62M83.8Confident80.5Confident0 Ų044.5 Ų44.50%018%0.184CC..Hα-helixtrans-79.9-23.8-179.8-66.1176-78.800113.6N56 K58 R59 W60 R64 Y65 V66 F78 V116 F121 V330 R332N56-M62 HydrophobicContact CB-CG 3.63Å; N56-M62 HydrophobicContact CB-SD 4.08Å; K58-M62 WeakPolarHBondContact O-CE 3.34Å; R59-M62 PolarHBondContact O-N 2.72Å; R59-M62 VanDerWaalsContact O-N 3.16Å; W60-M62 VanDerWaalsContact C-N 3.32Å; W60-M62 PolarHBondContact O-N 2.85Å; M62-R64 VanDerWaalsContact C-N 3.28Å; M62-R64 PolarHBondContact O-N 2.95Å; M62-R64 VanDerWaalsContact O-N 3.14Å; M62-Y65 WeakPolarHBondContact O-CB 3.43Å; M62-Y65 PolarHBondContact O-N 3.03Å; M62-V66 HydrophobicContact CB-CG2 4.14Å; M62-V66 WeakPolarHBondContact O-CG2 3.11Å; M62-V66 PolarHBondContact O-N 2.7Å; M62-F78 HydrophobicContact SD-CD1 3.8Å; M62-F78 HydrophobicContact SD-CE1 3.92Å; M62-V116 HydrophobicContact CE-CG1 4.17Å; M62-V116 HydrophobicContact CE-CG2 4.34Å; M62-F121 HydrophobicContact CB-CE1 3.83Å; M62-F121 HydrophobicContact CB-CZ 3.78Å; M62-F121 HydrophobicContact CE-CZ 4.1Å; M62-F121 HydrophobicContact SD-CZ 4.38Å; M62-V330 HydrophobicContact CG-CG1 3.86Å; M62-V330 HydrophobicContact SD-CG1 3.86Å; M62-R332 HydrophobicContact SD-CG 4.21Å; M62-R332 PolarHBondContact SD-NE 3.03Å
63K81.8Confident80.2Confident108 Ų10846.8 Ų46.847%0.4721%0.208SC..Hα-helixtrans-54-41.7-167.1-177177.9-179.2-179.40113.1R59 W60 T67 F121R59-K63 PolarHBondContact O-N 3.38Å; W60-K63 WeakPolarHBondContact O-CB 3.16Å; W60-K63 PolarHBondContact O-N 3.3Å; K63-T67 VanDerWaalsContact O-CB 3.26Å; K63-T67 WeakPolarHBondContact O-CB 3.16Å; K63-T67 PolarHBondContact O-N 3.29Å; K63-T67 PolarHBondContact O-OG1 2.97Å; K63-F121 HydrophobicContact CB-CD1 4.07Å; K63-F121 HydrophobicContact CB-CE1 4.2Å; K63-F121 HydrophobicContact CG-CD1 4.3Å
64R80.1Confident80Confident136 Ų13646.5 Ų46.551%0.51321%0.205SC..Hα-helixtrans-67-41.9-179.5-61.6-174.6-177.2-160.71.4111.4L36 M62 S68 D390L36-R64 HydrophobicContact CD1-CB 3.78Å; L36-R64 HydrophobicContact CD2-CB 3.98Å; L36-R64 HydrophobicContact CD2-CG 4.41Å; M62-R64 VanDerWaalsContact C-N 3.28Å; M62-R64 PolarHBondContact O-N 2.95Å; M62-R64 VanDerWaalsContact O-N 3.14Å; R64-S68 WeakPolarHBondContact O-CB 3.27Å; R64-S68 PolarHBondContact O-N 3.2Å; R64-S68 VanDerWaalsContact O-N 3.09Å; R64-D390 IonicContact CZ-OD1 3.09Å; R64-D390 IonicContact NH2-OD1 3.26Å; R64-D390 PolarHBondContact NH2-OD1 3.46Å
65Y84.9Confident79.8Confident10 Ų1051.5 Ų51.54%0.03923%0.227CC..Hα-helixtrans-66.1-47.8174.9-58.7-74.2000112.2C35 L36 A39 I52 N54 M62 T67 S68 A69C35-Y65 PolarHBondContact SG-OH 2.81Å; L36-Y65 HydrophobicContact CB-CE1 4.29Å; L36-Y65 HydrophobicContact CD1-CD1 3.85Å; L36-Y65 HydrophobicContact CD1-CE1 3.82Å; L36-Y65 HydrophobicContact CD1-CG 4.4Å; A39-Y65 HydrophobicContact CB-CD1 3.75Å; A39-Y65 HydrophobicContact CB-CE1 3.72Å; I52-Y65 HydrophobicContact CD1-CD1 3.46Å; I52-Y65 VanDerWaalsContact CD1-CD1 3.46Å; I52-Y65 HydrophobicContact CD1-CE1 3.8Å; I52-Y65 HydrophobicContact CD1-CG 4.15Å; I52-Y65 HydrophobicContact CG1-CD1 3.79Å; I52-Y65 HydrophobicContact CG1-CE1 4.32Å; I52-Y65 HydrophobicContact CG1-CG 3.95Å; I52-Y65 HydrophobicContact CG2-CD1 4.08Å; I52-Y65 HydrophobicContact CG2-CD2 3.98Å; I52-Y65 HydrophobicContact CG2-CE1 3.92Å; I52-Y65 HydrophobicContact CG2-CE2 3.84Å; I52-Y65 HydrophobicContact CG2-CG 4.1Å; N54-Y65 PolarHBondContact ND2-OH 3.46Å; M62-Y65 WeakPolarHBondContact O-CB 3.43Å; M62-Y65 PolarHBondContact O-N 3.03Å; Y65-T67 PolarHBondContact O-N 2.97Å; Y65-S68 PolarHBondContact O-N 3.31Å; Y65-A69 VanDerWaalsContact O-CB 3.27Å; Y65-A69 WeakPolarHBondContact O-CB 3.2Å; Y65-A69 PolarHBondContact O-N 2.94Å
66V82.6Confident80.2Confident0 Ų051.9 Ų51.90%023%0.228CC..Hα-helixtrans-61.1-46-179.6172.50000110.9M62 A69 Y70 I76 F78 L118 F121 F122M62-V66 HydrophobicContact CB-CG2 4.14Å; M62-V66 WeakPolarHBondContact O-CG2 3.11Å; M62-V66 PolarHBondContact O-N 2.7Å; V66-A69 PolarHBondContact O-N 3.38Å; V66-Y70 VanDerWaalsContact O-CB 3.3Å; V66-Y70 WeakPolarHBondContact O-CB 3.4Å; V66-Y70 PolarHBondContact O-N 3.42Å; V66-I76 HydrophobicContact CG1-CD1 4.13Å; V66-I76 HydrophobicContact CG2-CG2 4.48Å; V66-I76 WeakPolarHBondContact O-CD1 3.37Å; V66-F78 HydrophobicContact CG2-CE1 3.67Å; V66-F78 HydrophobicContact CG2-CZ 3.78Å; V66-L118 HydrophobicContact CG1-CD2 3.85Å; V66-F121 HydrophobicContact CB-CD1 4.05Å; V66-F121 HydrophobicContact CB-CD2 4.47Å; V66-F121 HydrophobicContact CB-CE1 4.24Å; V66-F121 HydrophobicContact CB-CG 4.16Å; V66-F121 HydrophobicContact CG1-CB 3.86Å; V66-F121 HydrophobicContact CG1-CD1 4.05Å; V66-F121 HydrophobicContact CG1-CD2 3.83Å; V66-F121 HydrophobicContact CG1-CE2 4.37Å; V66-F121 HydrophobicContact CG1-CG 3.64Å; V66-F121 HydrophobicContact CG2-CD1 4.22Å; V66-F121 HydrophobicContact CG2-CD2 4.32Å; V66-F121 HydrophobicContact CG2-CE1 3.92Å; V66-F121 HydrophobicContact CG2-CE2 4.04Å; V66-F121 HydrophobicContact CG2-CG 4.39Å; V66-F121 HydrophobicContact CG2-CZ 3.84Å; V66-F122 HydrophobicContact CG1-CE2 3.92Å; V66-F122 HydrophobicContact CG1-CZ 3.96Å
67T75.5Confident80.3Confident20 Ų2055.1 Ų55.112%0.12324%0.243CC..Hα-helixtrans-63.2-44.1178.3-56.20000111.3K63 Y65 R71K63-T67 VanDerWaalsContact O-CB 3.26Å; K63-T67 WeakPolarHBondContact O-CB 3.16Å; K63-T67 PolarHBondContact O-N 3.29Å; K63-T67 PolarHBondContact O-OG1 2.97Å; Y65-T67 PolarHBondContact O-N 2.97Å; T67-R71 VanDerWaalsContact O-CG 3.31Å; T67-R71 WeakPolarHBondContact O-CG 3.46Å; T67-R71 PolarHBondContact O-N 3.03Å; T67-R71 VanDerWaalsContact O-N 3.08Å
68S81.1Confident80.6Confident12 Ų1256.9 Ų56.98%0.08425%0.25CC..Hα-helixtrans-64.7-47.8177.7-171.40000111.6R64 Y65 Y70 R71 H72R64-S68 WeakPolarHBondContact O-CB 3.27Å; R64-S68 PolarHBondContact O-N 3.2Å; R64-S68 VanDerWaalsContact O-N 3.09Å; Y65-S68 PolarHBondContact O-N 3.31Å; S68-Y70 VanDerWaalsContact C-N 3.31Å; S68-Y70 PolarHBondContact O-N 3.04Å; S68-R71 PolarHBondContact O-N 3.17Å; S68-H72 PolarHBondContact O-N 3.35Å; S68-H72 PolarHBondContact O-ND1 2.89Å; S68-H72 PolarHBondContact OG-ND1 3.21Å
69A82.9Confident80.8Confident0 Ų058.2 Ų58.20%026%0.258CS..Hα-helixtrans-59.6-43.6179.500000111.5M43 Y65 V66 R71 H72 G73 Y74 I76 T328M43-A69 HydrophobicContact CE-CB 3.98Å; M43-A69 VanDerWaalsContact SD-CA 3.54Å; M43-A69 HydrophobicContact SD-CB 3.87Å; M43-A69 PolarHBondContact SD-N 3.09Å; M43-A69 VanDerWaalsContact SD-N 3.39Å; Y65-A69 VanDerWaalsContact O-CB 3.27Å; Y65-A69 WeakPolarHBondContact O-CB 3.2Å; Y65-A69 PolarHBondContact O-N 2.94Å; V66-A69 PolarHBondContact O-N 3.38Å; A69-R71 PolarHBondContact O-N 2.97Å; A69-H72 PolarHBondContact O-N 3.33Å; A69-G73 PolarHBondContact O-N 3.26Å; A69-Y74 WeakPolarHBondContact O-CB 3.38Å; A69-Y74 PolarHBondContact O-N 2.75Å; A69-I76 HydrophobicContact CB-CD1 3.81Å; A69-I76 HydrophobicContact CB-CG1 3.7Å; A69-T328 HydrophobicContact CB-CG2 3.9Å
70Y78.2Confident80.8Confident63 Ų6356.6 Ų56.625%0.24725%0.254CS..Hα-helixtrans-61.2-46.3177.4-176.3-78.6000111.4V66 S68 H72 G73 F122 I127V66-Y70 VanDerWaalsContact O-CB 3.3Å; V66-Y70 WeakPolarHBondContact O-CB 3.4Å; V66-Y70 PolarHBondContact O-N 3.42Å; S68-Y70 VanDerWaalsContact C-N 3.31Å; S68-Y70 PolarHBondContact O-N 3.04Å; Y70-H72 VanDerWaalsContact C-N 3.26Å; Y70-H72 PolarHBondContact O-N 2.91Å; Y70-G73 PolarHBondContact O-N 2.76Å; Y70-G73 VanDerWaalsContact O-N 3.09Å; Y70-F122 VanDerWaalsContact CB-CZ 3.48Å; Y70-F122 HydrophobicContact CD1-CZ 4.25Å; Y70-F122 HydrophobicContact CD2-CD2 4.23Å; Y70-F122 AromaticContact CD2-CE2 3.49Å; Y70-F122 HydrophobicContact CD2-CE2 3.49Å; Y70-F122 VanDerWaalsContact CD2-CE2 3.49Å; Y70-F122 AromaticContact CD2-CZ 3.77Å; Y70-F122 HydrophobicContact CD2-CZ 3.77Å; Y70-F122 HydrophobicContact CE2-CD2 4.48Å; Y70-F122 HydrophobicContact CE2-CE2 4.17Å; Y70-F122 HydrophobicContact CG-CE1 4.34Å; Y70-F122 AromaticContact CG-CE2 3.8Å; Y70-F122 HydrophobicContact CG-CE2 3.8Å; Y70-F122 AromaticContact CG-CZ 3.54Å; Y70-F122 HydrophobicContact CG-CZ 3.54Å; Y70-I127 HydrophobicContact CD1-CD1 4.15Å; Y70-I127 HydrophobicContact CD1-CG2 3.89Å; Y70-I127 HydrophobicContact CE1-CB 3.91Å; Y70-I127 HydrophobicContact CE1-CD1 3.72Å; Y70-I127 HydrophobicContact CE1-CG1 4.42Å; Y70-I127 HydrophobicContact CE1-CG2 3.2Å; Y70-I127 HydrophobicContact CE2-CD1 4.11Å
71R77.9Confident80.6Confident187 Ų18750.7 Ų50.771%0.70623%0.233SC*.Hα-helixtrans-61.6-33.5178.6-75.6176.4179.7160.21.1112.8T67 S68 A69 G73T67-R71 VanDerWaalsContact O-CG 3.31Å; T67-R71 WeakPolarHBondContact O-CG 3.46Å; T67-R71 PolarHBondContact O-N 3.03Å; T67-R71 VanDerWaalsContact O-N 3.08Å; S68-R71 PolarHBondContact O-N 3.17Å; A69-R71 PolarHBondContact O-N 2.97Å; R71-G73 VanDerWaalsContact C-N 3.3Å
72H82.4Confident80.4Confident68 Ų6855.3 Ų55.332%0.31526%0.255SS..THydrogen-bonded Turntrans-87.55.4178.6-65.993.9000113.7M43 E44 S68 A69 Y70 Y74M43-H72 HydrophobicContact CB-CB 4.13Å; E44-H72 WeakPolarHBondContact CG-NE2 3.34Å; S68-H72 PolarHBondContact O-N 3.35Å; S68-H72 PolarHBondContact O-ND1 2.89Å; S68-H72 PolarHBondContact OG-ND1 3.21Å; A69-H72 PolarHBondContact O-N 3.33Å; Y70-H72 VanDerWaalsContact C-N 3.26Å; Y70-H72 PolarHBondContact O-N 2.91Å; H72-Y74 HydrophobicContact CB-CD2 3.63Å; H72-Y74 HydrophobicContact CB-CE2 3.73Å
73G80.6Confident80.1Confident47 Ų4756.4 Ų56.449%0.48526%0.261SS..THydrogen-bonded Turntrans76.125174.700000114.4A69 Y70 R71A69-G73 PolarHBondContact O-N 3.26Å; Y70-G73 PolarHBondContact O-N 2.76Å; Y70-G73 VanDerWaalsContact O-N 3.09Å; R71-G73 VanDerWaalsContact C-N 3.3Å
74Y81.9Confident80Confident12 Ų1257.6 Ų57.65%0.04728%0.28CS..  trans-81.4142.2176.5-76.9-98000111.9A42 M43 K46 V47 V50 A69 H72 R326 T327 T328A42-Y74 PolarHBondContact O-OH 3.33Å; M43-Y74 WeakPolarHBondContact CA-OH 3.49Å; M43-Y74 HydrophobicContact CB-CD2 4.36Å; M43-Y74 HydrophobicContact CB-CE2 3.73Å; M43-Y74 HydrophobicContact CG-CD2 4.23Å; M43-Y74 HydrophobicContact CG-CE2 3.87Å; K46-Y74 VanDerWaalsContact C-OH 3.28Å; K46-Y74 WeakPolarHBondContact CA-OH 3.44Å; V47-Y74 PolarHBondContact N-OH 2.89Å; V47-Y74 VanDerWaalsContact N-OH 3.13Å; V47-Y74 WeakPolarHBondContact O-CE1 3.41Å; V47-Y74 VanDerWaalsContact O-CZ 3.32Å; V47-Y74 PolarHBondContact O-OH 3.16Å; V50-Y74 HydrophobicContact CG2-CE1 4.21Å; A69-Y74 WeakPolarHBondContact O-CB 3.38Å; A69-Y74 PolarHBondContact O-N 2.75Å; H72-Y74 HydrophobicContact CB-CD2 3.63Å; H72-Y74 HydrophobicContact CB-CE2 3.73Å; Y74-R326 HydrophobicContact CD1-CB 4.03Å; Y74-R326 HydrophobicContact CE1-CB 3.95Å; Y74-T327 VanDerWaalsContact CD1-C 3.47Å; Y74-T327 WeakPolarHBondContact CD1-O 3.35Å; Y74-T328 VanDerWaalsContact CB-OG1 3.26Å; Y74-T328 WeakPolarHBondContact CB-OG1 3.35Å; Y74-T328 WeakPolarHBondContact CD1-OG1 3.38Å
75K80.3Confident80.1Confident116 Ų11653.1 Ų53.150%0.50426%0.263SS..EExtended strand (participates in β ladder)trans-74.2124.8162.5-171.9174.6-177.5-178.80108.7F77 R326 T328K75-F77 HydrophobicContact CB-CE2 4.23Å; K75-F77 HydrophobicContact CD-CE1 4.44Å; K75-F77 HydrophobicContact CD-CE2 3.71Å; K75-F77 HydrophobicContact CD-CZ 3.49Å; K75-F77 VanDerWaalsContact CD-CZ 3.49Å; K75-F77 HydrophobicContact CG-CD2 4.42Å; K75-F77 HydrophobicContact CG-CE2 3.67Å; K75-F77 HydrophobicContact CG-CZ 3.86Å; K75-R326 PolarHBondContact N-O 2.98Å; K75-T328 PolarHBondContact O-N 3.22Å
76I83.5Confident79.8Confident12 Ų1255.8 Ų55.86%0.06227%0.273CS..EExtended strand (participates in β ladder)trans-105.7130.5-173.5-59.9157.1000109.7V66 A69 F78 L118 T328 V330V66-I76 HydrophobicContact CG1-CD1 4.13Å; V66-I76 HydrophobicContact CG2-CG2 4.48Å; V66-I76 WeakPolarHBondContact O-CD1 3.37Å; A69-I76 HydrophobicContact CB-CD1 3.81Å; A69-I76 HydrophobicContact CB-CG1 3.7Å; I76-F78 HydrophobicContact CG2-CE1 4.45Å; I76-F78 HydrophobicContact CG2-CE2 4.3Å; I76-F78 HydrophobicContact CG2-CZ 4.05Å; I76-L118 HydrophobicContact CB-CD1 4.22Å; I76-L118 HydrophobicContact CB-CD2 3.74Å; I76-L118 HydrophobicContact CB-CG 4.38Å; I76-L118 HydrophobicContact CD1-CD2 3.56Å; I76-L118 HydrophobicContact CG1-CD2 4.26Å; I76-L118 HydrophobicContact CG2-CD2 3.86Å; I76-T328 WeakPolarHBondContact CA-O 3.25Å; I76-V330 HydrophobicContact CG2-CG2 4.18Å
77F82.3Confident79.8Confident71 Ų7159.5 Ų59.531%0.31129%0.289SS..EExtended strand (participates in β ladder)trans-118.6137.5175.1-63.7-88.7000110.5K75 T327 T328 I329 V330K75-F77 HydrophobicContact CB-CE2 4.23Å; K75-F77 HydrophobicContact CD-CE1 4.44Å; K75-F77 HydrophobicContact CD-CE2 3.71Å; K75-F77 HydrophobicContact CD-CZ 3.49Å; K75-F77 VanDerWaalsContact CD-CZ 3.49Å; K75-F77 HydrophobicContact CG-CD2 4.42Å; K75-F77 HydrophobicContact CG-CE2 3.67Å; K75-F77 HydrophobicContact CG-CZ 3.86Å; F77-T327 HydrophobicContact CD2-CG2 3.74Å; F77-T327 HydrophobicContact CE2-CG2 3.51Å; F77-T328 PolarHBondContact N-O 2.98Å; F77-I329 HydrophobicContact CB-CG1 4.41Å; F77-I329 HydrophobicContact CB-CG2 4.5Å; F77-I329 HydrophobicContact CD2-CG1 4.22Å; F77-V330 WeakPolarHBondContact O-CA 3.3Å; F77-V330 WeakPolarHBondContact O-CB 3.39Å; F77-V330 PolarHBondContact O-N 3.31Å; F77-V330 VanDerWaalsContact O-O 3.1Å
78F82.6Confident80.2Confident43 Ų4361.9 Ų61.919%0.18930%0.301CS..EExtended strand (participates in β ladder)trans-103.3122.7169.8-57.4-79.9000108.6M62 V66 I76 V116 L118 F121 V330M62-F78 HydrophobicContact SD-CD1 3.8Å; M62-F78 HydrophobicContact SD-CE1 3.92Å; V66-F78 HydrophobicContact CG2-CE1 3.67Å; V66-F78 HydrophobicContact CG2-CZ 3.78Å; I76-F78 HydrophobicContact CG2-CE1 4.45Å; I76-F78 HydrophobicContact CG2-CE2 4.3Å; I76-F78 HydrophobicContact CG2-CZ 4.05Å; F78-V116 HydrophobicContact CD1-CG1 4.16Å; F78-V116 WeakPolarHBondContact CD2-O 3.31Å; F78-V116 HydrophobicContact CE1-CG1 4.02Å; F78-V116 HydrophobicContact CE2-CG1 4.41Å; F78-V116 HydrophobicContact CG-CG1 4.43Å; F78-V116 HydrophobicContact CZ-CG1 4.17Å; F78-L118 HydrophobicContact CE2-CD2 4.01Å; F78-L118 HydrophobicContact CE2-CG 3.96Å; F78-L118 HydrophobicContact CZ-CD2 4.06Å; F78-F121 AromaticContact CE1-CE2 3.59Å; F78-F121 HydrophobicContact CE1-CE2 3.59Å; F78-F121 AromaticContact CE1-CZ 3.86Å; F78-F121 HydrophobicContact CE1-CZ 3.86Å; F78-F121 HydrophobicContact CE2-CE2 4.21Å; F78-F121 AromaticContact CZ-CD2 3.93Å; F78-F121 HydrophobicContact CZ-CD2 3.93Å; F78-F121 AromaticContact CZ-CE2 3.28Å; F78-F121 HydrophobicContact CZ-CE2 3.28Å; F78-F121 HydrophobicContact CZ-CZ 4.02Å; F78-V330 CarbonylContact C-O 3.59Å; F78-V330 WeakPolarHBondContact CA-O 3.49Å; F78-V330 HydrophobicContact CD1-CB 4.15Å; F78-V330 HydrophobicContact CD1-CG1 4.26Å; F78-V330 HydrophobicContact CE1-CB 4.46Å
79L79.6Confident80.4Confident74 Ų7461.9 Ų61.939%0.38730%0.302SS..EExtended strand (participates in β ladder)trans-113.8104.5-179.6-61.5-175.5000110.4I329 V330 R331 R332L79-I329 HydrophobicContact CD1-CG2 3.33Å; L79-I329 HydrophobicContact CG-CG2 3.78Å; L79-V330 PolarHBondContact N-O 3.48Å; L79-R331 HydrophobicContact CB-CG 4.26Å; L79-R331 HydrophobicContact CD1-CG 4.01Å; L79-R332 CarbonylContact O-C 3.6Å; L79-R332 VanDerWaalsContact O-CA 3.31Å; L79-R332 WeakPolarHBondContact O-CA 3.36Å; L79-R332 VanDerWaalsContact O-CB 3.31Å; L79-R332 WeakPolarHBondContact O-CB 3.4Å; L79-R332 PolarHBondContact O-N 3.13Å
80E79.1Confident80.6Confident49 Ų4969.6 Ų69.623%0.22933%0.332CS..  trans-80152.1169.7-66.1-172.9-169.200111.1Q82 F112 H114 G115 R332E80-Q82 PolarHBondContact O-NE2 3.4Å; E80-F112 HydrophobicContact CG-CE1 4.38Å; E80-F112 HydrophobicContact CG-CZ 4.1Å; E80-H114 IonicContact OE2-ND1 2.94Å; E80-G115 PolarHBondContact OE1-N 3.16Å; E80-R332 CarbonylContact C-O 3.5Å; E80-R332 HydrophobicContact CG-CB 4.39Å; E80-R332 IonicContact OE1-NH1 3.01Å; E80-R332 PolarHBondContact OE1-NH1 3.41Å
81P73.2Confident80.9Confident6 Ų669.8 Ų69.84%0.03934%0.336CS..  trans-68.9142.4-177.84.212.6000108.7R86 R332 V334P81-R86 HydrophobicContact CB-CB 4.1Å; P81-R86 HydrophobicContact CG-CB 4.3Å; P81-R86 WeakPolarHBondContact O-CD 3.4Å; P81-R86 PolarHBondContact O-NE 3.18Å; P81-R332 WeakPolarHBondContact CD-O 3.2Å; P81-R332 VanDerWaalsContact CG-O 3.31Å; P81-R332 WeakPolarHBondContact CG-O 3.35Å; P81-V334 HydrophobicContact CG-CB 3.72Å; P81-V334 HydrophobicContact CG-CG2 3.59Å
82Q73.9Confident81Confident128 Ų12861 Ų6160%0.59830%0.303SS*.  trans-104.92.5179.6-60.2-54.4-42.400113E80E80-Q82 PolarHBondContact O-NE2 3.4Å
83T78.8Confident80.8Confident23 Ų2359 Ų5914%0.14130%0.298CS..  trans-62.7140.5179.156.40000111W85 R86 S335T83-W85 HydrophobicContact CG2-CZ2 3.84Å; T83-W85 PolarHBondContact O-N 3.47Å; T83-R86 VanDerWaalsContact O-CB 3.31Å; T83-R86 WeakPolarHBondContact O-CB 3.5Å; T83-R86 WeakPolarHBondContact O-CD 3.26Å; T83-R86 VanDerWaalsContact O-CG 3.23Å; T83-R86 WeakPolarHBondContact O-CG 3.33Å; T83-R86 PolarHBondContact O-N 2.81Å; T83-R86 WeakPolarHBondContact OG1-CB 3.45Å; T83-S335 VanDerWaalsContact OG1-CB 3.29Å; T83-S335 WeakPolarHBondContact OG1-CB 3.3Å
84P79.6Confident80.8Confident132 Ų13261.2 Ų61.286%0.85731%0.306SS*.THydrogen-bonded Turntrans-58.5-30.9179.3-26.134.6000113.2
85W81.7Confident80.7Confident43 Ų4365.5 Ų65.516%0.16333%0.325CS..THydrogen-bonded Turntrans-94.17.1-175.551.4-101.2000114.2T83 F87 D88 E91 C92 K95 S335T83-W85 HydrophobicContact CG2-CZ2 3.84Å; T83-W85 PolarHBondContact O-N 3.47Å; W85-F87 PolarHBondContact O-N 2.82Å; W85-D88 HydrophobicContact CB-CB 4.41Å; W85-D88 PolarHBondContact O-N 2.71Å; W85-E91 HydrophobicContact CB-CB 3.91Å; W85-E91 HydrophobicContact CB-CG 3.63Å; W85-E91 WeakPolarHBondContact CB-OE2 3.46Å; W85-E91 HydrophobicContact CD2-CG 4.1Å; W85-E91 HydrophobicContact CE3-CG 4.34Å; W85-E91 HydrophobicContact CG-CG 3.81Å; W85-E91 VanDerWaalsContact CG-OE1 3.28Å; W85-C92 PolarHBondContact O-SG 3.28Å; W85-C92 VanDerWaalsContact O-SG 3.37Å; W85-K95 HydrophobicContact CD2-CD 3.92Å; W85-K95 HydrophobicContact CE3-CD 3.95Å; W85-K95 HydrophobicContact CH2-CB 4.3Å; W85-K95 HydrophobicContact CH2-CD 3.37Å; W85-K95 HydrophobicContact CH2-CG 4.49Å; W85-K95 HydrophobicContact CZ2-CD 3.38Å; W85-K95 HydrophobicContact CZ3-CB 4.44Å; W85-K95 HydrophobicContact CZ3-CD 3.68Å; W85-S335 WeakPolarHBondContact CH2-O 3.37Å; W85-S335 VanDerWaalsContact CZ3-CA 3.47Å
86R78.7Confident80.5Confident66 Ų6660.8 Ų60.825%0.24931%0.307CS..THydrogen-bonded Turntrans-59.2-11.1-179.172.4-175.8-179.5-118.48.6115.1P81 T83 V334P81-R86 HydrophobicContact CB-CB 4.1Å; P81-R86 HydrophobicContact CG-CB 4.3Å; P81-R86 WeakPolarHBondContact O-CD 3.4Å; P81-R86 PolarHBondContact O-NE 3.18Å; T83-R86 VanDerWaalsContact O-CB 3.31Å; T83-R86 WeakPolarHBondContact O-CB 3.5Å; T83-R86 WeakPolarHBondContact O-CD 3.26Å; T83-R86 VanDerWaalsContact O-CG 3.23Å; T83-R86 WeakPolarHBondContact O-CG 3.33Å; T83-R86 PolarHBondContact O-N 2.81Å; T83-R86 WeakPolarHBondContact OG1-CB 3.45Å; R86-V334 HydrophobicContact CB-CB 4.06Å; R86-V334 WeakPolarHBondContact O-CB 3.4Å; R86-V334 WeakPolarHBondContact O-CG1 3.45Å
87F82.4Confident80.1Confident78 Ų7865.6 Ų65.634%0.34234%0.336SS..THydrogen-bonded Turntrans-125.714.2174.3-56.6-56000111.5W85 I109 F112 H114 V334W85-F87 PolarHBondContact O-N 2.82Å; F87-I109 HydrophobicContact CB-CG2 4.34Å; F87-I109 HydrophobicContact CD1-CG2 4.22Å; F87-F112 HydrophobicContact CE1-CD1 4.25Å; F87-F112 HydrophobicContact CE1-CE1 4.49Å; F87-F112 HydrophobicContact CE1-CG 4.43Å; F87-H114 AromaticContact CE1-CE1 3.58Å; F87-H114 AromaticContact CE2-CE1 3.97Å; F87-H114 AromaticContact CZ-CE1 3.29Å; F87-H114 WeakPolarHBondContact CZ-CE1 3.08Å; F87-H114 AromaticContact CZ-ND1 3.84Å; F87-V334 HydrophobicContact CE1-CG2 4.27Å
88D84Confident79.5Confident70 Ų7064.1 Ų64.137%0.37433%0.33SS..  trans-94.8102.2169.1-174.6-28.8000108.3W85 Y90 E91 C92W85-D88 HydrophobicContact CB-CB 4.41Å; W85-D88 PolarHBondContact O-N 2.71Å; D88-Y90 PolarHBondContact O-N 3.28Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.24Å; D88-Y90 PolarHBondContact OD1-N 2.72Å; D88-E91 HydrophobicContact CB-CB 3.96Å; D88-E91 PolarHBondContact O-N 3.48Å; D88-E91 PolarHBondContact OD1-N 2.92Å; D88-E91 VanDerWaalsContact OD1-N 3.09Å; D88-C92 WeakPolarHBondContact O-CB 3.49Å; D88-C92 PolarHBondContact O-N 3.34Å; D88-C92 PolarHBondContact O-SG 2.97Å; D88-C92 VanDerWaalsContact O-SG 3.32Å
89A84.8Confident79.1Confident12 Ų1270.6 Ų70.610%0.09936%0.361CS..Hα-helixtrans-59.2-34.6-177.700000112.9A93 L102 I105 Q106 I109A89-A93 VanDerWaalsContact O-CB 3.25Å; A89-A93 WeakPolarHBondContact O-CB 3.5Å; A89-A93 PolarHBondContact O-N 3.48Å; A89-L102 HydrophobicContact CB-CD1 3.74Å; A89-L102 VanDerWaalsContact O-CD1 3.28Å; A89-L102 WeakPolarHBondContact O-CD1 3.16Å; A89-I105 HydrophobicContact CB-CG2 4.03Å; A89-Q106 HydrophobicContact CB-CB 4.48Å; A89-Q106 HydrophobicContact CB-CG 3.45Å; A89-Q106 VanDerWaalsContact CB-CG 3.45Å; A89-I109 HydrophobicContact CB-CD1 3.86Å
90Y87.1Confident78.8Confident162 Ų16267.4 Ų67.464%0.63535%0.345SS*.Hα-helixtrans-69.6-45.1179-74.1-82.7000111D88 A93 S94 L102D88-Y90 PolarHBondContact O-N 3.28Å; D88-Y90 WeakPolarHBondContact OD1-CB 3.24Å; D88-Y90 PolarHBondContact OD1-N 2.72Å; Y90-A93 PolarHBondContact O-N 2.93Å; Y90-S94 WeakPolarHBondContact O-CB 2.85Å; Y90-S94 PolarHBondContact O-N 3.45Å; Y90-S94 PolarHBondContact O-OG 2.9Å; Y90-L102 HydrophobicContact CD1-CD1 3.98Å; Y90-L102 HydrophobicContact CD1-CD2 3.83Å; Y90-L102 HydrophobicContact CD2-CD1 4.47Å; Y90-L102 HydrophobicContact CE1-CD1 4.31Å; Y90-L102 HydrophobicContact CE1-CD2 3.35Å; Y90-L102 HydrophobicContact CE1-CG 4.49Å; Y90-L102 HydrophobicContact CE2-CD2 4.47Å; Y90-L102 HydrophobicContact CG-CD1 4.07Å
91E85Confident78.9Confident67 Ų6767.3 Ų67.331%0.31335%0.35SS..Hα-helixtrans-67.1-41.6178.6-170.7164174.100111.1W85 D88 A93 S94 K95W85-E91 HydrophobicContact CB-CB 3.91Å; W85-E91 HydrophobicContact CB-CG 3.63Å; W85-E91 WeakPolarHBondContact CB-OE2 3.46Å; W85-E91 HydrophobicContact CD2-CG 4.1Å; W85-E91 HydrophobicContact CE3-CG 4.34Å; W85-E91 HydrophobicContact CG-CG 3.81Å; W85-E91 VanDerWaalsContact CG-OE1 3.28Å; D88-E91 HydrophobicContact CB-CB 3.96Å; D88-E91 PolarHBondContact O-N 3.48Å; D88-E91 PolarHBondContact OD1-N 2.92Å; D88-E91 VanDerWaalsContact OD1-N 3.09Å; E91-A93 PolarHBondContact O-N 3.2Å; E91-S94 PolarHBondContact O-N 2.85Å; E91-S94 PolarHBondContact O-OG 3.08Å; E91-K95 HydrophobicContact CG-CD 4.02Å; E91-K95 WeakPolarHBondContact O-CB 3.4Å; E91-K95 VanDerWaalsContact O-CG 3.32Å; E91-K95 WeakPolarHBondContact O-CG 3.33Å; E91-K95 PolarHBondContact O-N 3.2Å; E91-K95 VanDerWaalsContact O-N 3.1Å; E91-K95 WeakPolarHBondContact OE1-CE 3.47Å; E91-K95 IonicContact OE1-NZ 3.41Å
92C79.7Confident79.4Confident2 Ų269.3 Ų69.31%0.01436%0.359CS..Hα-helixtrans-58-46.5171.9-74.90000112.5W85 D88 K95 S96 I105 V334 I337W85-C92 PolarHBondContact O-SG 3.28Å; W85-C92 VanDerWaalsContact O-SG 3.37Å; D88-C92 WeakPolarHBondContact O-CB 3.49Å; D88-C92 PolarHBondContact O-N 3.34Å; D88-C92 PolarHBondContact O-SG 2.97Å; D88-C92 VanDerWaalsContact O-SG 3.32Å; C92-K95 CarbonylContact O-C 3.55Å; C92-K95 PolarHBondContact O-N 3.49Å; C92-S96 PolarHBondContact O-N 3.09Å; C92-I105 HydrophobicContact CB-CD1 4.33Å; C92-I105 HydrophobicContact CB-CG2 3.61Å; C92-V334 PolarHBondContact SG-O 3.32Å; C92-I337 HydrophobicContact CB-CD1 3.85Å
93A78.4Confident80Confident26 Ų2666.2 Ų66.222%0.21536%0.356CS..Hα-helixtrans-62.7-43.7177.400000111.6A89 Y90 E91 K95 S96 L102 I105A89-A93 VanDerWaalsContact O-CB 3.25Å; A89-A93 WeakPolarHBondContact O-CB 3.5Å; A89-A93 PolarHBondContact O-N 3.48Å; Y90-A93 PolarHBondContact O-N 2.93Å; E91-A93 PolarHBondContact O-N 3.2Å; A93-K95 PolarHBondContact O-N 3.39Å; A93-S96 WeakPolarHBondContact O-CB 3.24Å; A93-S96 PolarHBondContact O-N 2.69Å; A93-L102 HydrophobicContact CB-CB 4.37Å; A93-L102 HydrophobicContact CB-CD1 4.04Å; A93-I105 HydrophobicContact CB-CD1 3.66Å
94S80Confident79.9Confident94 Ų9465.3 Ų65.366%0.65735%0.351SS*.Hα-helixtrans-64.2-23.5178.877.20000113.7Y90 E91Y90-S94 WeakPolarHBondContact O-CB 2.85Å; Y90-S94 PolarHBondContact O-N 3.45Å; Y90-S94 PolarHBondContact O-OG 2.9Å; E91-S94 PolarHBondContact O-N 2.85Å; E91-S94 PolarHBondContact O-OG 3.08Å
95K81.3Confident79.8Confident101 Ų10159 Ų5944%0.43931%0.31SS..THydrogen-bonded Turntrans-102.1-2.1-179.7-67.3176.3-171.1-71.70113.2W85 E91 C92 A93 V97W85-K95 HydrophobicContact CD2-CD 3.92Å; W85-K95 HydrophobicContact CE3-CD 3.95Å; W85-K95 HydrophobicContact CH2-CB 4.3Å; W85-K95 HydrophobicContact CH2-CD 3.37Å; W85-K95 HydrophobicContact CH2-CG 4.49Å; W85-K95 HydrophobicContact CZ2-CD 3.38Å; W85-K95 HydrophobicContact CZ3-CB 4.44Å; W85-K95 HydrophobicContact CZ3-CD 3.68Å; E91-K95 HydrophobicContact CG-CD 4.02Å; E91-K95 WeakPolarHBondContact O-CB 3.4Å; E91-K95 VanDerWaalsContact O-CG 3.32Å; E91-K95 WeakPolarHBondContact O-CG 3.33Å; E91-K95 PolarHBondContact O-N 3.2Å; E91-K95 VanDerWaalsContact O-N 3.1Å; E91-K95 WeakPolarHBondContact OE1-CE 3.47Å; E91-K95 IonicContact OE1-NZ 3.41Å; C92-K95 CarbonylContact O-C 3.55Å; C92-K95 PolarHBondContact O-N 3.49Å; A93-K95 PolarHBondContact O-N 3.39Å; K95-V97 PolarHBondContact O-N 3.37Å
96S74.8Confident79.9Confident18 Ų1860.4 Ų60.413%0.12632%0.318CS..  trans-65.9125.6177.5171.30000110.3C92 A93 H98 E99 V100C92-S96 PolarHBondContact O-N 3.09Å; A93-S96 WeakPolarHBondContact O-CB 3.24Å; A93-S96 PolarHBondContact O-N 2.69Å; S96-H98 PolarHBondContact OG-N 3.39Å; S96-E99 PolarHBondContact OG-N 2.77Å; S96-E99 VanDerWaalsContact OG-N 3.15Å; S96-V100 PolarHBondContact OG-N 3.38Å
97V74.8Confident79.9Confident113 Ų11361.1 Ų61.169%0.68532%0.321SS*.THydrogen-bonded Turntrans-73.7-32.71771780000111.3K95K95-V97 PolarHBondContact O-N 3.37Å
98H69.7Low79.7Confident39 Ų3958 Ų5818%0.18131%0.307CS..THydrogen-bonded Turntrans-101.725.5-177.8-59.2-64.9000112.3Y21 S96 V100 D338 Q339Y21-H98 AromaticContact CD1-CE1 3.59Å; Y21-H98 AromaticContact CD1-ND1 3.33Å; Y21-H98 VanDerWaalsContact CD1-ND1 3.33Å; Y21-H98 WeakPolarHBondContact CD1-ND1 3.38Å; Y21-H98 AromaticContact CD2-CE1 3.65Å; Y21-H98 HydrophobicContact CE1-CB 4.45Å; Y21-H98 AromaticContact CE1-CE1 3.93Å; Y21-H98 AromaticContact CE1-CG 3.99Å; Y21-H98 AromaticContact CE1-ND1 3.56Å; Y21-H98 AromaticContact CE2-CE1 3.99Å; Y21-H98 AromaticContact CG-CE1 3.42Å; Y21-H98 VanDerWaalsContact CG-CE1 3.42Å; Y21-H98 AromaticContact CG-ND1 3.69Å; S96-H98 PolarHBondContact OG-N 3.39Å; H98-V100 PolarHBondContact O-N 3.19Å; H98-D338 IonicContact CD2-OD1 3.36Å; H98-Q339 HydrophobicContact CB-CB 4.39Å; H98-Q339 HydrophobicContact CB-CG 3.61Å; H98-Q339 PolarHBondContact O-NE2 3.05Å
99E75Confident79.7Confident179 Ų17956.2 Ų56.284%0.83630%0.298SS*.  trans51.636.4173.9-56.1-175.3169.800114.8S96 S101S96-E99 PolarHBondContact OG-N 2.77Å; S96-E99 VanDerWaalsContact OG-N 3.15Å; E99-S101 PolarHBondContact O-N 3.1Å
100V73.2Confident79.7Confident7 Ų763.1 Ų63.14%0.04233%0.328CS..  trans-60129.2177.8-178.10000109.7S96 H98 I105 M108 I337 Q339 T342S96-V100 PolarHBondContact OG-N 3.38Å; H98-V100 PolarHBondContact O-N 3.19Å; V100-I105 HydrophobicContact CB-CD1 4.18Å; V100-I105 HydrophobicContact CB-CG1 4.29Å; V100-I105 HydrophobicContact CG1-CD1 4.21Å; V100-I105 HydrophobicContact CG1-CG1 3.77Å; V100-M108 HydrophobicContact CG1-CE 4.11Å; V100-I337 HydrophobicContact CB-CG2 3.91Å; V100-I337 HydrophobicContact CG1-CG2 3.94Å; V100-I337 HydrophobicContact CG2-CG2 3.73Å; V100-Q339 HydrophobicContact CG2-CB 4.49Å; V100-Q339 HydrophobicContact CG2-CG 3.39Å; V100-T342 HydrophobicContact CG1-CG2 3.83Å
101S82Confident79.2Confident48 Ų4857.8 Ų57.834%0.33631%0.312SS..  trans-61.3143.6-17569.50000111.6E99 A103 S104 I105E99-S101 PolarHBondContact O-N 3.1Å; S101-A103 PolarHBondContact O-N 2.63Å; S101-S104 WeakPolarHBondContact O-CB 3.41Å; S101-S104 PolarHBondContact O-N 3.48Å; S101-S104 PolarHBondContact OG-N 3.15Å; S101-S104 PolarHBondContact OG-OG 2.84Å; S101-I105 WeakPolarHBondContact O-CG1 3.43Å; S101-I105 PolarHBondContact O-N 3Å; S101-I105 VanDerWaalsContact O-N 3.1Å
102L83.6Confident79Confident47 Ų4755.2 Ų55.225%0.24630%0.3CS..Hα-helixtrans-51.6-41.7176.4178.967.7000111.7A89 Y90 A93 S104 I105 Q106A89-L102 HydrophobicContact CB-CD1 3.74Å; A89-L102 VanDerWaalsContact O-CD1 3.28Å; A89-L102 WeakPolarHBondContact O-CD1 3.16Å; Y90-L102 HydrophobicContact CD1-CD1 3.98Å; Y90-L102 HydrophobicContact CD1-CD2 3.83Å; Y90-L102 HydrophobicContact CD2-CD1 4.47Å; Y90-L102 HydrophobicContact CE1-CD1 4.31Å; Y90-L102 HydrophobicContact CE1-CD2 3.35Å; Y90-L102 HydrophobicContact CE1-CG 4.49Å; Y90-L102 HydrophobicContact CE2-CD2 4.47Å; Y90-L102 HydrophobicContact CG-CD1 4.07Å; A93-L102 HydrophobicContact CB-CB 4.37Å; A93-L102 HydrophobicContact CB-CD1 4.04Å; L102-S104 PolarHBondContact O-N 3.07Å; L102-I105 PolarHBondContact O-N 2.82Å; L102-Q106 HydrophobicContact CD1-CG 4.48Å; L102-Q106 HydrophobicContact CG-CG 4.4Å; L102-Q106 WeakPolarHBondContact O-CB 3.29Å; L102-Q106 VanDerWaalsContact O-CG 3.3Å; L102-Q106 WeakPolarHBondContact O-CG 3.28Å; L102-Q106 PolarHBondContact O-N 2.93Å
103A86.3Confident79Confident63 Ų6357.4 Ų57.452%0.52131%0.31SS..Hα-helixtrans-61.2-42.5178.200000112.4S101 I105 Q106 R107S101-A103 PolarHBondContact O-N 2.63Å; A103-I105 VanDerWaalsContact C-N 3.31Å; A103-I105 PolarHBondContact O-N 3.13Å; A103-Q106 PolarHBondContact O-N 2.99Å; A103-R107 WeakPolarHBondContact O-CB 3.08Å; A103-R107 PolarHBondContact O-N 3.38Å
104S75.8Confident79.1Confident5 Ų561 Ų614%0.03532%0.322CS..Hα-helixtrans-64.2-39.7176.7-590000111.3S101 L102 R107 M108S101-S104 WeakPolarHBondContact O-CB 3.41Å; S101-S104 PolarHBondContact O-N 3.48Å; S101-S104 PolarHBondContact OG-N 3.15Å; S101-S104 PolarHBondContact OG-OG 2.84Å; L102-S104 PolarHBondContact O-N 3.07Å; S104-R107 PolarHBondContact O-N 3.41Å; S104-M108 WeakPolarHBondContact O-CG 3.38Å; S104-M108 PolarHBondContact O-N 3.1Å
105I77.8Confident79.1Confident0 Ų059 Ų590%032%0.317CS..Hα-helixtrans-68-42.9178.2-62.5175.7000111.2A89 C92 A93 V100 S101 L102 A103 R107 M108 I109 I337A89-I105 HydrophobicContact CB-CG2 4.03Å; C92-I105 HydrophobicContact CB-CD1 4.33Å; C92-I105 HydrophobicContact CB-CG2 3.61Å; A93-I105 HydrophobicContact CB-CD1 3.66Å; V100-I105 HydrophobicContact CB-CD1 4.18Å; V100-I105 HydrophobicContact CB-CG1 4.29Å; V100-I105 HydrophobicContact CG1-CD1 4.21Å; V100-I105 HydrophobicContact CG1-CG1 3.77Å; S101-I105 WeakPolarHBondContact O-CG1 3.43Å; S101-I105 PolarHBondContact O-N 3Å; S101-I105 VanDerWaalsContact O-N 3.1Å; L102-I105 PolarHBondContact O-N 2.82Å; A103-I105 VanDerWaalsContact C-N 3.31Å; A103-I105 PolarHBondContact O-N 3.13Å; I105-R107 VanDerWaalsContact C-N 3.33Å; I105-R107 PolarHBondContact O-N 2.71Å; I105-M108 HydrophobicContact CB-CE 4.39Å; I105-M108 HydrophobicContact CG1-CE 3.9Å; I105-M108 PolarHBondContact O-N 3.46Å; I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 HydrophobicContact CG2-CG1 4.48Å; I105-I109 WeakPolarHBondContact O-CG1 3.3Å; I105-I109 PolarHBondContact O-N 3.16Å; I105-I337 HydrophobicContact CB-CD1 4.14Å; I105-I337 HydrophobicContact CD1-CD1 3.66Å; I105-I337 HydrophobicContact CG1-CD1 3.53Å; I105-I337 HydrophobicContact CG1-CG2 4.45Å; I105-I337 HydrophobicContact CG2-CD1 3.64Å
106Q83.8Confident78.8Confident72 Ų7254.8 Ų54.834%0.33630%0.299SS..Hα-helixtrans-56.4-49173-75.2173.8-28.600110.6A89 L102 A103 M108 I109 E110A89-Q106 HydrophobicContact CB-CB 4.48Å; A89-Q106 HydrophobicContact CB-CG 3.45Å; A89-Q106 VanDerWaalsContact CB-CG 3.45Å; L102-Q106 HydrophobicContact CD1-CG 4.48Å; L102-Q106 HydrophobicContact CG-CG 4.4Å; L102-Q106 WeakPolarHBondContact O-CB 3.29Å; L102-Q106 VanDerWaalsContact O-CG 3.3Å; L102-Q106 WeakPolarHBondContact O-CG 3.28Å; L102-Q106 PolarHBondContact O-N 2.93Å; A103-Q106 PolarHBondContact O-N 2.99Å; Q106-M108 PolarHBondContact O-N 3.16Å; Q106-I109 PolarHBondContact O-N 3.14Å; Q106-E110 WeakPolarHBondContact O-CB 3.18Å; Q106-E110 VanDerWaalsContact O-CG 3.28Å; Q106-E110 WeakPolarHBondContact O-CG 3.4Å; Q106-E110 PolarHBondContact O-N 2.7Å
107R78.3Confident79Confident80 Ų8057.1 Ų57.130%0.30231%0.313SS..Hα-helixtrans-60.1-42.8176.1-173.3175.766164.5-1112.6A103 S104 I105 I109 E110 T111 T341 D380A103-R107 WeakPolarHBondContact O-CB 3.08Å; A103-R107 PolarHBondContact O-N 3.38Å; S104-R107 PolarHBondContact O-N 3.41Å; I105-R107 VanDerWaalsContact C-N 3.33Å; I105-R107 PolarHBondContact O-N 2.71Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-I109 PolarHBondContact O-N 3.46Å; R107-E110 PolarHBondContact O-N 3.13Å; R107-T111 HydrophobicContact CG-CG2 4.44Å; R107-T111 WeakPolarHBondContact O-CB 3.46Å; R107-T111 VanDerWaalsContact O-CG2 3.24Å; R107-T111 WeakPolarHBondContact O-CG2 3.23Å; R107-T111 PolarHBondContact O-N 3.44Å; R107-T111 PolarHBondContact O-OG1 2.61Å; R107-T341 PolarHBondContact NH2-O 2.94Å; R107-D380 IonicContact NH1-OD2 3.66Å; R107-D380 PolarHBondContact NH1-OD2 3.35Å
108M79.1Confident79.1Confident13 Ų1354.8 Ų54.86%0.06430%0.296CS..Hα-helixtrans-62.6-39.8176-78.6-173.6-70.700112.2T55 T57 V100 S104 I105 Q106 F112 I337 T341T55-M108 HydrophobicContact CG2-SD 4.18Å; T57-M108 HydrophobicContact CG2-CB 4.22Å; T57-M108 HydrophobicContact CG2-CG 4.28Å; T57-M108 HydrophobicContact CG2-SD 4.5Å; V100-M108 HydrophobicContact CG1-CE 4.11Å; S104-M108 WeakPolarHBondContact O-CG 3.38Å; S104-M108 PolarHBondContact O-N 3.1Å; I105-M108 HydrophobicContact CB-CE 4.39Å; I105-M108 HydrophobicContact CG1-CE 3.9Å; I105-M108 PolarHBondContact O-N 3.46Å; Q106-M108 PolarHBondContact O-N 3.16Å; M108-F112 WeakPolarHBondContact O-CB 2.85Å; M108-F112 PolarHBondContact O-N 3.48Å; M108-I337 HydrophobicContact CE-CD1 4.13Å; M108-I337 HydrophobicContact CE-CG2 3.61Å; M108-T341 PolarHBondContact SD-OG1 3.45Å
109I83.8Confident79.3Confident33 Ų3355.2 Ų55.217%0.16931%0.307CS..Hα-helixtrans-68.7-48177-71166.2000110.9F87 A89 I105 Q106 R107 T111 F112 V334F87-I109 HydrophobicContact CB-CG2 4.34Å; F87-I109 HydrophobicContact CD1-CG2 4.22Å; A89-I109 HydrophobicContact CB-CD1 3.86Å; I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 HydrophobicContact CG2-CG1 4.48Å; I105-I109 WeakPolarHBondContact O-CG1 3.3Å; I105-I109 PolarHBondContact O-N 3.16Å; Q106-I109 PolarHBondContact O-N 3.14Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-I109 PolarHBondContact O-N 3.46Å; I109-T111 PolarHBondContact O-N 3.28Å; I109-F112 WeakPolarHBondContact O-CB 3.44Å; I109-F112 PolarHBondContact O-N 2.73Å; I109-F112 VanDerWaalsContact O-N 3.13Å; I109-V334 HydrophobicContact CG1-CG1 4.26Å
110E83.7Confident79.1Confident157 Ų15749 Ų4973%0.73428%0.28SS*.Hα-helixtrans-59.5-34.3179.5-75.4171.8-175.300112.3Q106 R107Q106-E110 WeakPolarHBondContact O-CB 3.18Å; Q106-E110 VanDerWaalsContact O-CG 3.28Å; Q106-E110 WeakPolarHBondContact O-CG 3.4Å; Q106-E110 PolarHBondContact O-N 2.7Å; R107-E110 PolarHBondContact O-N 3.13Å
111T77.5Confident79.1Confident50 Ų5049.4 Ų49.431%0.30728%0.281SS..THydrogen-bonded Turntrans-96.6-0.3-178.368.80000112.7K58 R107 I109 E113K58-T111 VanDerWaalsContact CD-O 3.26Å; K58-T111 WeakPolarHBondContact CD-O 3.31Å; K58-T111 VanDerWaalsContact CE-CB 3.43Å; K58-T111 WeakPolarHBondContact CE-O 3.26Å; K58-T111 PolarHBondContact NZ-O 3.49Å; R107-T111 HydrophobicContact CG-CG2 4.44Å; R107-T111 WeakPolarHBondContact O-CB 3.46Å; R107-T111 VanDerWaalsContact O-CG2 3.24Å; R107-T111 WeakPolarHBondContact O-CG2 3.23Å; R107-T111 PolarHBondContact O-N 3.44Å; R107-T111 PolarHBondContact O-OG1 2.61Å; I109-T111 PolarHBondContact O-N 3.28Å; T111-E113 PolarHBondContact O-N 3.5Å
112F81.3Confident78.4Confident13 Ų1348.4 Ų48.46%0.05727%0.27CS..  trans-62.7125.6-178-169.3-87000112T57 E80 F87 M108 I109 H114 R332 V334T57-F112 HydrophobicContact CG2-CD2 4.19Å; E80-F112 HydrophobicContact CG-CE1 4.38Å; E80-F112 HydrophobicContact CG-CZ 4.1Å; F87-F112 HydrophobicContact CE1-CD1 4.25Å; F87-F112 HydrophobicContact CE1-CE1 4.49Å; F87-F112 HydrophobicContact CE1-CG 4.43Å; M108-F112 WeakPolarHBondContact O-CB 2.85Å; M108-F112 PolarHBondContact O-N 3.48Å; I109-F112 WeakPolarHBondContact O-CB 3.44Å; I109-F112 PolarHBondContact O-N 2.73Å; I109-F112 VanDerWaalsContact O-N 3.13Å; F112-H114 AromaticContact CD1-CE1 3.28Å; F112-H114 WeakPolarHBondContact CD1-CE1 3.31Å; F112-H114 AromaticContact CD1-CG 3.91Å; F112-H114 AromaticContact CD1-ND1 3.3Å; F112-H114 VanDerWaalsContact CD1-ND1 3.3Å; F112-H114 WeakPolarHBondContact CD1-ND1 3.31Å; F112-H114 AromaticContact CD1-NE2 3.89Å; F112-H114 AromaticContact CE1-CE1 3.77Å; F112-H114 AromaticContact CE1-ND1 3.38Å; F112-H114 WeakPolarHBondContact CE1-ND1 3.31Å; F112-R332 HydrophobicContact CE2-CB 4.49Å; F112-R332 HydrophobicContact CZ-CB 4.35Å; F112-V334 HydrophobicContact CD2-CG2 4.07Å; F112-V334 HydrophobicContact CE2-CG2 3.83Å
113E79.6Confident76.8Confident48 Ų4852.7 Ų52.722%0.22429%0.289CS..  trans-94.1105.7178.1-73.3177.2-171.300111T57 K58 R59 T111 V116 R332T57-E113 PolarHBondContact O-N 3Å; K58-E113 HydrophobicContact CD-CG 3.87Å; K58-E113 WeakPolarHBondContact CD-OE1 3.08Å; K58-E113 IonicContact NZ-OE1 2.81Å; R59-E113 VanDerWaalsContact CB-OE2 3.24Å; R59-E113 WeakPolarHBondContact CB-OE2 3.46Å; R59-E113 WeakPolarHBondContact CD-OE2 2.96Å; R59-E113 WeakPolarHBondContact CG-OE2 3.38Å; R59-E113 IonicContact CZ-OE2 3.77Å; R59-E113 PolarHBondContact N-OE2 3.09Å; R59-E113 IonicContact NE-OE2 3.33Å; R59-E113 VanDerWaalsContact NH1-CD 3.27Å; R59-E113 IonicContact NH1-OE2 3.59Å; R59-E113 PolarHBondContact NH1-OE2 2.78Å; T111-E113 PolarHBondContact O-N 3.5Å; E113-V116 HydrophobicContact CB-CG2 4.42Å; E113-R332 PolarHBondContact O-NH1 2.65Å; E113-R332 PolarHBondContact O-NH2 3.44Å
114H80.3Confident74.5Confident100 Ų10052.4 Ų52.446%0.46329%0.292SS..  trans-75.9159.5-179.6-56.8-74.9000114.2E80 F87 F112 V116E80-H114 IonicContact OE2-ND1 2.94Å; F87-H114 AromaticContact CE1-CE1 3.58Å; F87-H114 AromaticContact CE2-CE1 3.97Å; F87-H114 AromaticContact CZ-CE1 3.29Å; F87-H114 WeakPolarHBondContact CZ-CE1 3.08Å; F87-H114 AromaticContact CZ-ND1 3.84Å; F112-H114 AromaticContact CD1-CE1 3.28Å; F112-H114 WeakPolarHBondContact CD1-CE1 3.31Å; F112-H114 AromaticContact CD1-CG 3.91Å; F112-H114 AromaticContact CD1-ND1 3.3Å; F112-H114 VanDerWaalsContact CD1-ND1 3.3Å; F112-H114 WeakPolarHBondContact CD1-ND1 3.31Å; F112-H114 AromaticContact CD1-NE2 3.89Å; F112-H114 AromaticContact CE1-CE1 3.77Å; F112-H114 AromaticContact CE1-ND1 3.38Å; F112-H114 WeakPolarHBondContact CE1-ND1 3.31Å; H114-V116 VanDerWaalsContact C-N 3.27Å; H114-V116 PolarHBondContact O-N 3.36Å
115G78.9Confident72.5Confident54 Ų5456.7 Ų56.756%0.55731%0.311SS*.SBendtrans66.729.5162.500000113.4E80 T117E80-G115 PolarHBondContact OE1-N 3.16Å; G115-T117 WeakPolarHBondContact O-CG2 3.32Å; G115-T117 PolarHBondContact O-N 3.24Å
116V74.9Confident70.1Confident11 Ų1163.6 Ų63.67%0.06735%0.347CS..  trans-66.9127.6-176.8169.40000110.7R59 M62 F78 E113 H114 D120 F121 R332R59-V116 HydrophobicContact CG-CG1 4.18Å; R59-V116 HydrophobicContact CG-CG2 3.72Å; M62-V116 HydrophobicContact CE-CG1 4.17Å; M62-V116 HydrophobicContact CE-CG2 4.34Å; F78-V116 HydrophobicContact CD1-CG1 4.16Å; F78-V116 WeakPolarHBondContact CD2-O 3.31Å; F78-V116 HydrophobicContact CE1-CG1 4.02Å; F78-V116 HydrophobicContact CE2-CG1 4.41Å; F78-V116 HydrophobicContact CG-CG1 4.43Å; F78-V116 HydrophobicContact CZ-CG1 4.17Å; E113-V116 HydrophobicContact CB-CG2 4.42Å; H114-V116 VanDerWaalsContact C-N 3.27Å; H114-V116 PolarHBondContact O-N 3.36Å; V116-D120 WeakPolarHBondContact CA-OD2 3.24Å; V116-F121 HydrophobicContact CG1-CD2 4.39Å; V116-F121 HydrophobicContact CG1-CE2 3.27Å; V116-F121 HydrophobicContact CG1-CZ 3.65Å; V116-R332 VanDerWaalsContact CB-NH1 3.31Å; V116-R332 VanDerWaalsContact CG2-CZ 3.46Å; V116-R332 VanDerWaalsContact CG2-NH2 3.27Å
117T80.1Confident67.7Low67 Ų6762.7 Ų62.741%0.41134%0.344SS..  trans-113.2167.6177.479.80000111.2G115 A119 D120 F121G115-T117 WeakPolarHBondContact O-CG2 3.32Å; G115-T117 PolarHBondContact O-N 3.24Å; T117-A119 PolarHBondContact O-N 3.06Å; T117-A119 WeakPolarHBondContact OG1-CB 3.42Å; T117-A119 PolarHBondContact OG1-N 3.45Å; T117-D120 PolarHBondContact N-OD1 2.64Å; T117-D120 PolarHBondContact N-OD2 3.01Å; T117-D120 WeakPolarHBondContact O-CB 3.27Å; T117-D120 PolarHBondContact O-N 3.29Å; T117-D120 PolarHBondContact OG1-OD1 2.95Å; T117-F121 VanDerWaalsContact O-CD2 3.3Å; T117-F121 WeakPolarHBondContact O-CD2 3.4Å; T117-F121 WeakPolarHBondContact O-CE2 3.29Å
118L76.3Confident65.4Low64 Ų6469.9 Ų69.934%0.33537%0.371SS..SBendtrans-62.9-27.5172.5-79.6171.8000112.7V66 I76 F78 D120 F121 F122V66-L118 HydrophobicContact CG1-CD2 3.85Å; I76-L118 HydrophobicContact CB-CD1 4.22Å; I76-L118 HydrophobicContact CB-CD2 3.74Å; I76-L118 HydrophobicContact CB-CG 4.38Å; I76-L118 HydrophobicContact CD1-CD2 3.56Å; I76-L118 HydrophobicContact CG1-CD2 4.26Å; I76-L118 HydrophobicContact CG2-CD2 3.86Å; F78-L118 HydrophobicContact CE2-CD2 4.01Å; F78-L118 HydrophobicContact CE2-CG 3.96Å; F78-L118 HydrophobicContact CZ-CD2 4.06Å; L118-D120 VanDerWaalsContact C-N 3.28Å; L118-D120 PolarHBondContact O-N 2.93Å; L118-F121 PolarHBondContact O-N 2.97Å; L118-F122 HydrophobicContact CD2-CE2 4.25Å; L118-F122 VanDerWaalsContact O-CD2 3.25Å; L118-F122 WeakPolarHBondContact O-CD2 3.46Å
119A73.9Confident63Low49 Ų4976.9 Ų76.941%0.40540%0.403SS..Hα-helixtrans-61.8-39.4178.200000111.1T117 F121 F122 E123T117-A119 PolarHBondContact O-N 3.06Å; T117-A119 WeakPolarHBondContact OG1-CB 3.42Å; T117-A119 PolarHBondContact OG1-N 3.45Å; A119-F121 PolarHBondContact O-N 3.03Å; A119-F122 PolarHBondContact O-N 3.13Å; A119-E123 WeakPolarHBondContact O-CG 3.45Å; A119-E123 PolarHBondContact O-N 3.32Å
120D72.1Confident60.6Low49 Ų4979 Ų7926%0.26242%0.42SS..Hα-helixtrans-55.5-24-178.9-55.918.9000114R59 V116 T117 L118R59-D120 IonicContact CZ-OD2 3.91Å; R59-D120 IonicContact NE-OD2 2.95Å; R59-D120 PolarHBondContact NE-OD2 3.35Å; R59-D120 IonicContact NH2-OD2 3.19Å; R59-D120 PolarHBondContact NH2-OD2 3.34Å; V116-D120 WeakPolarHBondContact CA-OD2 3.24Å; T117-D120 PolarHBondContact N-OD1 2.64Å; T117-D120 PolarHBondContact N-OD2 3.01Å; T117-D120 WeakPolarHBondContact O-CB 3.27Å; T117-D120 PolarHBondContact O-N 3.29Å; T117-D120 PolarHBondContact OG1-OD1 2.95Å; L118-D120 VanDerWaalsContact C-N 3.28Å; L118-D120 PolarHBondContact O-N 2.93Å
121F72.5Confident58.1Low14 Ų1477.2 Ų77.26%0.06142%0.419CS..Hα-helixtrans-94.9-18.3-178.8-64.1-89.8000113.8R59 M62 K63 V66 F78 V116 T117 L118 A119R59-F121 HydrophobicContact CB-CE1 4.38Å; R59-F121 HydrophobicContact CB-CZ 4.49Å; R59-F121 HydrophobicContact CG-CZ 4.31Å; R59-F121 VanDerWaalsContact O-CE1 3.27Å; R59-F121 WeakPolarHBondContact O-CE1 3.31Å; M62-F121 HydrophobicContact CB-CE1 3.83Å; M62-F121 HydrophobicContact CB-CZ 3.78Å; M62-F121 HydrophobicContact CE-CZ 4.1Å; M62-F121 HydrophobicContact SD-CZ 4.38Å; K63-F121 HydrophobicContact CB-CD1 4.07Å; K63-F121 HydrophobicContact CB-CE1 4.2Å; K63-F121 HydrophobicContact CG-CD1 4.3Å; V66-F121 HydrophobicContact CB-CD1 4.05Å; V66-F121 HydrophobicContact CB-CD2 4.47Å; V66-F121 HydrophobicContact CB-CE1 4.24Å; V66-F121 HydrophobicContact CB-CG 4.16Å; V66-F121 HydrophobicContact CG1-CB 3.86Å; V66-F121 HydrophobicContact CG1-CD1 4.05Å; V66-F121 HydrophobicContact CG1-CD2 3.83Å; V66-F121 HydrophobicContact CG1-CE2 4.37Å; V66-F121 HydrophobicContact CG1-CG 3.64Å; V66-F121 HydrophobicContact CG2-CD1 4.22Å; V66-F121 HydrophobicContact CG2-CD2 4.32Å; V66-F121 HydrophobicContact CG2-CE1 3.92Å; V66-F121 HydrophobicContact CG2-CE2 4.04Å; V66-F121 HydrophobicContact CG2-CG 4.39Å; V66-F121 HydrophobicContact CG2-CZ 3.84Å; F78-F121 AromaticContact CE1-CE2 3.59Å; F78-F121 HydrophobicContact CE1-CE2 3.59Å; F78-F121 AromaticContact CE1-CZ 3.86Å; F78-F121 HydrophobicContact CE1-CZ 3.86Å; F78-F121 HydrophobicContact CE2-CE2 4.21Å; F78-F121 AromaticContact CZ-CD2 3.93Å; F78-F121 HydrophobicContact CZ-CD2 3.93Å; F78-F121 AromaticContact CZ-CE2 3.28Å; F78-F121 HydrophobicContact CZ-CE2 3.28Å; F78-F121 HydrophobicContact CZ-CZ 4.02Å; V116-F121 HydrophobicContact CG1-CD2 4.39Å; V116-F121 HydrophobicContact CG1-CE2 3.27Å; V116-F121 HydrophobicContact CG1-CZ 3.65Å; T117-F121 VanDerWaalsContact O-CD2 3.3Å; T117-F121 WeakPolarHBondContact O-CD2 3.4Å; T117-F121 WeakPolarHBondContact O-CE2 3.29Å; L118-F121 PolarHBondContact O-N 2.97Å; A119-F121 PolarHBondContact O-N 3.03Å
122F67Low55.9Low27 Ų2783.5 Ų83.512%0.11844%0.439CS..Hα-helixtrans-125.5-3.4-167.4-64.2-51.4000113.3V66 Y70 L118 A119 G124 Q125 I127V66-F122 HydrophobicContact CG1-CE2 3.92Å; V66-F122 HydrophobicContact CG1-CZ 3.96Å; Y70-F122 VanDerWaalsContact CB-CZ 3.48Å; Y70-F122 HydrophobicContact CD1-CZ 4.25Å; Y70-F122 HydrophobicContact CD2-CD2 4.23Å; Y70-F122 AromaticContact CD2-CE2 3.49Å; Y70-F122 HydrophobicContact CD2-CE2 3.49Å; Y70-F122 VanDerWaalsContact CD2-CE2 3.49Å; Y70-F122 AromaticContact CD2-CZ 3.77Å; Y70-F122 HydrophobicContact CD2-CZ 3.77Å; Y70-F122 HydrophobicContact CE2-CD2 4.48Å; Y70-F122 HydrophobicContact CE2-CE2 4.17Å; Y70-F122 HydrophobicContact CG-CE1 4.34Å; Y70-F122 AromaticContact CG-CE2 3.8Å; Y70-F122 HydrophobicContact CG-CE2 3.8Å; Y70-F122 AromaticContact CG-CZ 3.54Å; Y70-F122 HydrophobicContact CG-CZ 3.54Å; L118-F122 HydrophobicContact CD2-CE2 4.25Å; L118-F122 VanDerWaalsContact O-CD2 3.25Å; L118-F122 WeakPolarHBondContact O-CD2 3.46Å; A119-F122 PolarHBondContact O-N 3.13Å; F122-G124 PolarHBondContact O-N 3.28Å; F122-Q125 PolarHBondContact O-N 3.16Å; F122-I127 HydrophobicContact CB-CD1 3.75Å; F122-I127 HydrophobicContact CD1-CD1 3.16Å; F122-I127 HydrophobicContact CD1-CG1 4.16Å; F122-I127 HydrophobicContact CD2-CD1 3.95Å; F122-I127 HydrophobicContact CE1-CD1 3.63Å; F122-I127 HydrophobicContact CE2-CD1 4.35Å; F122-I127 HydrophobicContact CG-CD1 3.34Å; F122-I127 HydrophobicContact CZ-CD1 4.21Å
123E50.6Low53.5Low138 Ų13890.1 Ų90.165%0.64548%0.475SS*.THydrogen-bonded Turntrans-53110.4164.7-85.3175.5-169.300109.7A119A119-E123 WeakPolarHBondContact O-CG 3.45Å; A119-E123 PolarHBondContact O-N 3.32Å
124G38.1Very low51.3Low56 Ų5689.6 Ų89.658%0.57748%0.482SS*.THydrogen-bonded Turntrans98.21.6-178.200000116.7F122 F456F122-G124 PolarHBondContact O-N 3.28Å; G124-F456 VanDerWaalsContact CA-CE2 3.41Å; G124-F456 VanDerWaalsContact N-CZ 3.35Å
125Q33.6Very low49.1Very low95 Ų9591.4 Ų91.444%0.44450%0.503SS..  trans-109121.9174.7-63.4-169.1-1.200111.6F122 I127F122-Q125 PolarHBondContact O-N 3.16Å; Q125-I127 VanDerWaalsContact C-N 3.35Å; Q125-I127 HydrophobicContact CB-CG1 4.04Å; Q125-I127 PolarHBondContact O-N 3.36Å
126I27.6Very low46.8Very low146 Ų146100.2 Ų100.275%0.74952%0.519SS*.  trans-73.393.2164.1-58.8173.7000106.9
127I32.1Very low44.7Very low53 Ų53108 Ų10827%0.27256%0.56SS.*PPolyproline II helixtrans-88.7121.8175-37.2168.7000108.9Y70 F122 Q125 Q129Y70-I127 HydrophobicContact CD1-CD1 4.15Å; Y70-I127 HydrophobicContact CD1-CG2 3.89Å; Y70-I127 HydrophobicContact CE1-CB 3.91Å; Y70-I127 HydrophobicContact CE1-CD1 3.72Å; Y70-I127 HydrophobicContact CE1-CG1 4.42Å; Y70-I127 HydrophobicContact CE1-CG2 3.2Å; Y70-I127 HydrophobicContact CE2-CD1 4.11Å; F122-I127 HydrophobicContact CB-CD1 3.75Å; F122-I127 HydrophobicContact CD1-CD1 3.16Å; F122-I127 HydrophobicContact CD1-CG1 4.16Å; F122-I127 HydrophobicContact CD2-CD1 3.95Å; F122-I127 HydrophobicContact CE1-CD1 3.63Å; F122-I127 HydrophobicContact CE2-CD1 4.35Å; F122-I127 HydrophobicContact CG-CD1 3.34Å; F122-I127 HydrophobicContact CZ-CD1 4.21Å; Q125-I127 VanDerWaalsContact C-N 3.35Å; Q125-I127 HydrophobicContact CB-CG1 4.04Å; Q125-I127 PolarHBondContact O-N 3.36Å; I127-Q129 PolarHBondContact O-N 3Å
128R30.1Very low42.5Very low230 Ų230113.3 Ų113.387%0.86858%0.581SS**PPolyproline II helixtrans-62120.1165.9-66.2-171178.7-158.71.4107.3
129Q28.7Very low40.4Very low160 Ų160122.3 Ų122.375%0.74861%0.61SS**PPolyproline II helixtrans-53.3141.8169.4-71.9-175.2-15.300108.8I127 T131I127-Q129 PolarHBondContact O-N 3Å; Q129-T131 PolarHBondContact O-N 3.15Å
130P34.2Very low38Very low78 Ų78125.2 Ų125.251%0.50663%0.626SS.*PPolyproline II helixtrans-52120.1173-21.230.4000109Y132P130-Y132 PolarHBondContact O-N 3.01Å
131T31.6Very low36Very low119 Ų119131.1 Ų131.173%0.7365%0.652SS**  trans-65.8104.318047.80000109.1Q129 N133Q129-T131 PolarHBondContact O-N 3.15Å; T131-N133 PolarHBondContact O-N 3.32Å; T131-N133 VanDerWaalsContact O-N 3.15Å
132Y29.7Very low33.8Very low182 Ų182140.6 Ų140.671%0.71469%0.688SS**  trans-71.7101.2166.1-162.5-92.8000107.8P130 G134P130-Y132 PolarHBondContact O-N 3.01Å; Y132-G134 PolarHBondContact O-N 3.05Å
133N31.8Very low31.9Very low153 Ų153144 Ų14482%0.81871%0.71SS**  trans-76.176.5176.4-77.2-18.2000110T131T131-N133 PolarHBondContact O-N 3.32Å; T131-N133 VanDerWaalsContact O-N 3.15Å
134G32.8Very low30.9Very low36 Ų36146 Ų14637%0.37172%0.719SS.*  trans-89.6151.515900000110.6Y132 R136Y132-G134 PolarHBondContact O-N 3.05Å; G134-R136 PolarHBondContact O-N 3.31Å; G134-R136 VanDerWaalsContact O-N 3.16Å
135P34.5Very low30.3Very low139 Ų139152.8 Ų152.890%0.90373%0.733SS**  trans-65.6115.9-175.925.3-30.8000111.4
136R31.1Very low30Very low238 Ų238153.5 Ų153.590%0.89875%0.746SS**PPolyproline II helixtrans-76.2117.3175.8-86.5179.6170.7177-2111G134G134-R136 PolarHBondContact O-N 3.31Å; G134-R136 VanDerWaalsContact O-N 3.16Å
137N31.2Very low30Very low174 Ų174158 Ų15893%0.9375%0.754SS**PPolyproline II helixtrans-91.4118.5157.6-95.5-19.7000110.3
138Q32.4Very low29.7Very low180 Ų180164 Ų16484%0.84178%0.782SS**PPolyproline II helixtrans-81125.1177.9-69.7169.9-2.500110.8
139R32.9Very low29.5Very low253 Ų253158.7 Ų158.796%0.95578%0.778SS**  trans-157.7119.1132.6-127.3172-178.3175.3-0.1112.1
140C23.9Very low29.5Very low109 Ų109160.4 Ų160.474%0.73678%0.783SS**  trans-68.8171.6-178.2-61.90000114
141Q30.2Very low29.1Very low173 Ų173161.7 Ų161.781%0.80879%0.794SS**  trans98.6133.5149.4-56.2-172.229.600114.5
142R26.3Very low29.1Very low214 Ų214164.2 Ų164.281%0.80880%0.795SS**  cis176.7160.8-4.1-169.4-169.4-171.2161.40.1103.1
143V26.5Very low29.1Very low97 Ų97164 Ų16459%0.58880%0.798SS**  trans92.9104.5150.3-165.40000118.7
144Q29.9Very low29Very low180 Ų180160.7 Ų160.784%0.84179%0.792SS**  trans78.2104.2136.6-63.4166.618.500121.6
145K25.8Very low29Very low199 Ų199167 Ų16787%0.86581%0.812SS**  trans-76.2166.8134.8-78.3-177176.4177.90108.2
146P27.3Very low29Very low111 Ų111166 Ų16672%0.72180%0.803SS**  cis-157.3-170.435.834.4-7.1000118
147R27.9Very low29Very low240 Ų240160.9 Ų160.991%0.90679%0.794SS**  trans100.9116.8151.7-67179175175.5-1.8119.8
148M25.3Very low29.2Very low178 Ų178159.5 Ų159.588%0.87779%0.786SS**  trans-93.4153154.1-81.4-88.9-177.700108.9
149P26.3Very low29.4Very low119 Ų119157 Ų15777%0.77378%0.783SS**  -159.6161.789.937.5-15.3000119.6
150K28.7Very low29.3Very low196 Ų196147.8 Ų147.885%0.85277%0.767SS**  trans21.9126.3148-61178.9-179.9177.80121.4
151S25.5Very low30Very low105 Ų105148.4 Ų148.473%0.73477%0.77SS**  149.5141.1122.755.40000112.7
152F31.6Very low29.9Very low173 Ų173145 Ų14576%0.75977%0.765SS**  trans144.1107.1138.7-98.5-107.3000114.5
153F29.7Very low30Very low176 Ų176141 Ų14177%0.77277%0.769SS**  trans46.3119.4135.4-67.1-88.3000120.4
154A29.4Very low30Very low84 Ų84141 Ų14169%0.69477%0.773SS**  78.5144.491.300000112
155E31.7Very low30.2Very low169 Ų169138.4 Ų138.479%0.7977%0.765SS**  cis-174.8179.83.9-130.3-179.8-173.900107.2
156T34.8Very low30.6Very low118 Ų118136.7 Ų136.772%0.72476%0.76SS**  trans91.1143156.879.30000118.8
157N32.3Very low30.8Very low131 Ų131137.9 Ų137.970%0.70177%0.765SS**  cis-173.7165-32.5-110.2-24.1000107.2
158N35.6Very low30.9Very low144 Ų144133.8 Ų133.877%0.7776%0.761SS**  trans92.1139.5154.7-57.3-31.3000119.5
159V36.5Very low31.3Very low127 Ų127130.8 Ų130.877%0.7775%0.754SS**  cis-169.1141.7-4.7137.60000105.9
160G29.8Very low31.5Very low61 Ų61130.5 Ų130.563%0.62975%0.75SS**  trans-77.4-152.9170.800000113.3
161P38.1Very low31.8Very low121 Ų121129.6 Ų129.679%0.78675%0.754SS**  cis-144.61749.540.5-19.2000117.3
162S28.3Very low32Very low101 Ų101131.4 Ų131.471%0.70676%0.755SS**  trans33.1131.7144.269.90000123.4
163C28.5Very low32.3Very low132 Ų132127.8 Ų127.889%0.89275%0.751SS**  -176.2147.1112.6-102.80000112.4
164S27.9Very low32.6Very low96 Ų96127.5 Ų127.567%0.67175%0.753SS**  trans-82.2158.7-176.451.50000114.1
165N33.9Very low32.8Very low126 Ų126130 Ų13067%0.67476%0.759SS**  154.4131.9126.1-80.33.3000114.3
166E34Very low33Very low163 Ų163127 Ų12776%0.76275%0.754SS**  trans73.4110.4131.2-65.4178.5171.400123.1
167T31.9Very low32.8Very low135 Ų135130.2 Ų130.283%0.82876%0.761SS**  79121.1117.7-410000122.2
168L29Very low32.9Very low155 Ų155135.2 Ų135.281%0.81277%0.77SS**  trans-38.7162.6163.1-71.1170.9000116.8
169P34.1Very low32.8Very low115 Ų115135.1 Ų135.175%0.74777%0.769SS**  -158.7156.267.139.6-15.6000121.7
170V30.5Very low32.5Very low113 Ų113135.3 Ų135.369%0.68577%0.77SS**  trans44128.8130.7-173.60000121.9
171L34.7Very low32.8Very low177 Ų177137.3 Ų137.393%0.92777%0.772SS**  trans-155136.5132.6-134.594.3000112.8
172N30.8Very low32.3Very low142 Ų142140 Ų14076%0.75977%0.772SS**  trans-95.3163.3-171.3-68.6-31000114.8
173S36.5Very low32.4Very low97 Ų97142.7 Ų142.768%0.67878%0.778SS**  -177.2110.2126.4-106.80000110
174E35.5Very low32.3Very low171 Ų171141.8 Ų141.880%0.79977%0.768SS**  77.3105.499.3-71.7172.2148.700113.9
175V34.6Very low32.5Very low136 Ų136143.8 Ų143.882%0.82478%0.776SS**  76.8149.159.5-178.50000113.1
176P36.7Very low32.2Very low107 Ų107146 Ų14670%0.69578%0.783SS**  cis-139.1169.6-19.134-13.7000118.5
177E29.9Very low32.1Very low184 Ų184144.9 Ų144.986%0.8679%0.787SS**  trans19.7143.2139.3-56-177.6157.900125.8
178R33.7Very low31.8Very low236 Ų236145.9 Ų145.989%0.89179%0.787SS**  trans-175116.3133.9-104.7174.1-171.3167.75115.9
179D33.8Very low31.9Very low143 Ų143148.2 Ų148.277%0.76579%0.791SS**  trans41.9114.2131.4-57-36.2000126
180V30.7Very low31.5Very low130 Ų130146.4 Ų146.479%0.78879%0.786SS**  17.9170.7127.6-110.10000123.4
181P35.8Very low31.3Very low103 Ų103149.7 Ų149.767%0.66980%0.796SS**  cis-138.1-177.3-46.632-10000116
182F27Very low31Very low178 Ų178145 Ų14578%0.78178%0.783SS**  trans68.4118.3147.6-108.5-95000122
183N31.9Very low31Very low157 Ų157146 Ų14684%0.8479%0.788SS**  178.3146.3114.1-99.4-24.6000114.9
184V26.4Very low30.8Very low113 Ų113147 Ų14769%0.68580%0.795SS**  trans-72.4145.41791730000112.7
185V32Very low30.5Very low138 Ų138147.7 Ų147.784%0.83680%0.799SS**  trans-156.8123.4141-179.40000110.6
186E26.7Very low30.4Very low172 Ų172146.2 Ų146.280%0.80480%0.801SS**  trans-75.8150.8162.2-75.3170.2137.500111.7
187T31.9Very low30.1Very low140 Ų140149.3 Ų149.386%0.85981%0.806SS**  trans-169.5131.6137.939.20000112.2
188D26Very low30Very low156 Ų156145.2 Ų145.283%0.83480%0.797SS**  trans-62.2156.8170.3-58.1-56.8000114.6
189F30Very low29.9Very low204 Ų204143.9 Ų143.990%0.89579%0.793SS**  -176118.7127-123.2-102.1000115.2
190A27.1Very low29.6Very low77 Ų77141 Ų14164%0.63679%0.79SS**  trans13136.6142.300000125.6
191M25.9Very low29.6Very low183 Ų183142.9 Ų142.990%0.90179%0.794SS**  76.6127.7121.3-70.3-71-175.200124.3
192A28.1Very low29.2Very low78 Ų78142.8 Ų142.865%0.64580%0.796SS**  trans78.6122.6133.300000121.2
193D31Very low29.4Very low162 Ų162138.6 Ų138.687%0.86679%0.794SS**  158.7147.1102.4-93.7-24.6000115.3
194S32.9Very low29.3Very low119 Ų119138.6 Ų138.683%0.83279%0.794SS**  trans100.5123.7136.1-167.10000122.4
195E28.1Very low29.7Very low185 Ų185140 Ų14086%0.86480%0.802SS**  trans-73.1165.5173.6-56.4165.7145.700114.7
196A32.8Very low29.5Very low105 Ų105142.6 Ų142.687%0.86881%0.805SS**  trans-173136137.100000113.9
197E29.7Very low29.7Very low172 Ų172138 Ų13880%0.80481%0.805SS**  trans-78.9170.5-177.5-56.1169.9128.200115.3
198C29.3Very low29.6Very low99 Ų99140.1 Ų140.167%0.66981%0.805SS**  160.9127.2116.7-86.30000118.8
199Y30.5Very low29.6Very low207 Ų207141.7 Ų141.781%0.81281%0.805SS**  trans65.3103.5135.8-63.5-68000127.1
200A28.4Very low29.6Very low84 Ų84138.6 Ų138.669%0.69480%0.802SS**  36.2153.5112.700000128.1
201L29.8Very low29.7Very low168 Ų168139.8 Ų139.888%0.8881%0.806SS**  trans98.5143.9152.7-57.8169.7000118.1
202S28.2Very low29.9Very low102 Ų102140.7 Ų140.771%0.71381%0.808SS**  cis177.3154-20.757.60000109.9
203A31.6Very low29.9Very low89 Ų89141.2 Ų141.274%0.73681%0.812SS**  trans91.2112.9143.400000124.7
204N29.6Very low30Very low158 Ų158139.3 Ų139.385%0.84581%0.811SS**  40.8140.8129.8-62.57.9000124.9
205V33.3Very low29.8Very low141 Ų141138.8 Ų138.886%0.85581%0.808SS**  168.7148103.9164.40000112.1
206E27.9Very low29.9Very low193 Ų193134.8 Ų134.890%0.90280%0.8SS**  trans-72.8169-169.2-59.1159.6131.600118.7
207G31.4Very low29.7Very low77 Ų77136.4 Ų136.479%0.79479%0.794SS**  trans161.783.6152.700000121.1
208Q30.2Very low29.6Very low183 Ų183137.3 Ų137.386%0.85580%0.795SS**  trans27.9131.4142.1-70.7-177.1-37.600127.2
209F26.1Very low29.7Very low190 Ų190136 Ų13683%0.83380%0.798SS**  55133.9129.4-85.6-96.2000124.5
210V29.9Very low29.7Very low139 Ų139132 Ų13284%0.84280%0.795SS**  167.7139.8104.6169.30000110.9
211S28.1Very low29.6Very low102 Ų102134 Ų13471%0.71380%0.799SS**  trans-98.8152.8175.956.80000113.6
212E30.6Very low29.9Very low201 Ų201130.9 Ų130.994%0.93979%0.791SS**  trans-169.8147144.8-113.5171.2-171.100113.3
213A28.6Very low30.1Very low90 Ų90133 Ų13374%0.74479%0.794SS**  trans-104160.3-17700000112.3
214S32.2Very low30.2Very low121 Ų121134.1 Ų134.185%0.84679%0.792SS**  trans174.6108.5146.7-78.60000115.4
215S30.4Very low30.5Very low108 Ų108134.7 Ų134.776%0.75579%0.79SS**  44137.3119.9-163.70000125.4
216S29.6Very low30.4Very low101 Ų101135.8 Ų135.871%0.70679%0.785SS**  trans81.2153140.177.30000119.5
217L29.2Very low30.7Very low140 Ų140135.1 Ų135.173%0.73379%0.787SS**  cis-172.4150.3-3.1-136.887.9000107.9
218F26.8Very low31Very low191 Ų191137.2 Ų137.284%0.83878%0.784SS**  trans70.5139138.9-89.7-127.2000126.3
219G30.9Very low31.2Very low70 Ų70133.9 Ų133.972%0.72277%0.772SS**  trans112.9142.1136.300000117.6
220V30.9Very low31.7Very low124 Ų124130.3 Ų130.375%0.75277%0.768SS**  cis-176.3127.7-15.3133.40000106.9
221T27.3Very low32.2Very low125 Ų125127.3 Ų127.377%0.76775%0.753SS**  trans50.4149.4142.871.60000126.5
222S35.4Very low32.6Very low104 Ų104131.9 Ų131.973%0.72775%0.754SS**  trans95136.9140.9-175.60000117.3
223D32.5Very low32.6Very low145 Ų145130.6 Ų130.678%0.77575%0.751SS**  cis-175.7169.6-20.2-104.9-36.6000105.1
224V34Very low33Very low113 Ų113131 Ų13169%0.68574%0.743SS**  trans102.295.7149.6-162.60000120.1
225Q34.5Very low33.1Very low171 Ų171127.4 Ų127.480%0.79972%0.717SS**  78.3104129.1-63.5167.8-10.100123.3
226H32.8Very low33.2Very low163 Ų163131.2 Ų131.276%0.75572%0.715SS**  30.8107.7121.3-85.5-82.9000120.2
227L33.8Very low33.7Very low180 Ų180133.9 Ų133.994%0.94271%0.714SS**  trans-130.9122.1130.4-100.2108000108.2
228V36.9Very low34.3Very low120 Ų120132 Ų13273%0.72770%0.701SS**  trans-86.3110.1178.6177.20000107.9
229D34.5Very low35Very low114 Ų114126.9 Ų126.961%0.6168%0.682SS**  trans-89.2131.7172.7-166.623.1000109.7S231D229-S231 PolarHBondContact O-N 3.16Å; D229-S231 PolarHBondContact OD2-OG 2.8Å
230P37.7Very low35.7Very low115 Ų115130 Ų13075%0.74768%0.678SS**G310 helixtrans-66.35.8-173.9-19.933.4000115.9R232P230-R232 PolarHBondContact O-N 3.21Å
231S38.8Very low36.3Very low76 Ų76129.8 Ų129.853%0.53167%0.669SS.*G310 helixtrans-77.3-2.7-176.3-54.20000114.3D229D229-S231 PolarHBondContact O-N 3.16Å; D229-S231 PolarHBondContact OD2-OG 2.8Å
232R36.3Very low37.3Very low197 Ų197129.9 Ų129.974%0.74366%0.659SS**G310 helixtrans-91.10.7-172.1-120.7177.7-177.5-178.60.4116.4P230 T235 W236P230-R232 PolarHBondContact O-N 3.21Å; R232-T235 PolarHBondContact O-OG1 3.02Å; R232-W236 PolarHBondContact O-NE1 3.29Å
233M32.1Very low38Very low175 Ų175131.8 Ų131.886%0.86266%0.656SS**G310 helixtrans-95-3.9171.5-85.1-173.579.100113.9
234V35.7Very low38.7Very low97 Ų97131.3 Ų131.359%0.58865%0.649SS**THydrogen-bonded Turntrans-97.5-21.9174.2176.40000111.6
235T35.2Very low39.6Very low47 Ų47131.9 Ų131.929%0.28864%0.644SS.*Hα-helixtrans-75-27.9-179.656.30000113.2R232 K237 Q238 D239R232-T235 PolarHBondContact O-OG1 3.02Å; T235-K237 VanDerWaalsContact C-N 3.32Å; T235-K237 PolarHBondContact O-N 3.42Å; T235-Q238 CarbonylContact O-C 3.57Å; T235-Q238 WeakPolarHBondContact O-CA 3.23Å; T235-Q238 PolarHBondContact O-N 2.94Å; T235-D239 WeakPolarHBondContact O-CB 3.13Å; T235-D239 PolarHBondContact O-N 2.88Å
236W32.5Very low40.3Very low187 Ų187130.1 Ų130.171%0.70863%0.634SS**Hα-helixtrans-71.2-29.1-175.7-65.948.7000112.3R232 E240R232-W236 PolarHBondContact O-NE1 3.29Å; W236-E240 PolarHBondContact O-N 3.14Å; W236-E240 VanDerWaalsContact O-N 3.13Å
237K40Very low40.8Very low158 Ų158128 Ų12869%0.68763%0.625SS**Hα-helixtrans-76.6-26.6169.2-81.2-171.7172.3-174.40113.1T235 Q241T235-K237 VanDerWaalsContact C-N 3.32Å; T235-K237 PolarHBondContact O-N 3.42Å; K237-Q241 WeakPolarHBondContact O-CB 3.49Å; K237-Q241 WeakPolarHBondContact O-CG 3.45Å; K237-Q241 PolarHBondContact O-N 3.31Å
238Q40.9Very low41.4Very low101 Ų101124.4 Ų124.447%0.47260%0.603SS.*Hα-helixtrans-82.3-26175.1-71.6-178.8-24.400112.1T235 K242T235-Q238 CarbonylContact O-C 3.57Å; T235-Q238 WeakPolarHBondContact O-CA 3.23Å; T235-Q238 PolarHBondContact O-N 2.94Å; Q238-K242 WeakPolarHBondContact O-CB 3.45Å; Q238-K242 WeakPolarHBondContact O-CG 3.26Å; Q238-K242 PolarHBondContact O-N 3.09Å
239D42Very low41.6Very low83 Ų83124 Ų12444%0.44459%0.593SS.*Hα-helixtrans-82.4-35.9177.8-66.5-30.3000110.7T235 K242 E243T235-D239 WeakPolarHBondContact O-CB 3.13Å; T235-D239 PolarHBondContact O-N 2.88Å; D239-K242 PolarHBondContact O-N 3.32Å; D239-E243 WeakPolarHBondContact O-CB 3.3Å; D239-E243 PolarHBondContact O-N 3.25Å
240E45.5Very low41.9Very low136 Ų136124.8 Ų124.864%0.63659%0.593SS**Hα-helixtrans-66.1-41.2167.3-81.5-179.2160.600111.9W236 K242 E243 E244W236-E240 PolarHBondContact O-N 3.14Å; W236-E240 VanDerWaalsContact O-N 3.13Å; E240-K242 VanDerWaalsContact C-N 3.33Å; E240-K242 PolarHBondContact O-N 3.23Å; E240-E243 PolarHBondContact O-N 2.92Å; E240-E244 WeakPolarHBondContact O-CB 3.32Å; E240-E244 WeakPolarHBondContact O-CG 3.43Å; E240-E244 PolarHBondContact O-N 2.95Å
241Q43.7Very low42Very low119 Ų119126.4 Ų126.456%0.55659%0.588SS**Hα-helixtrans-67.4-32173.1-79.7-169.7-4800112.6K237 E245K237-Q241 WeakPolarHBondContact O-CB 3.49Å; K237-Q241 WeakPolarHBondContact O-CG 3.45Å; K237-Q241 PolarHBondContact O-N 3.31Å; Q241-E245 WeakPolarHBondContact O-CB 3.49Å; Q241-E245 VanDerWaalsContact O-CG 3.25Å; Q241-E245 WeakPolarHBondContact O-CG 3.45Å; Q241-E245 PolarHBondContact O-N 3.37Å
242K48.4Very low41.7Very low127 Ų127131.9 Ų131.955%0.55260%0.597SS**Hα-helixtrans-76.5-28.8174.8-84.1176.1176.1-179.80113.6Q238 D239 E240 K246Q238-K242 WeakPolarHBondContact O-CB 3.45Å; Q238-K242 WeakPolarHBondContact O-CG 3.26Å; Q238-K242 PolarHBondContact O-N 3.09Å; D239-K242 PolarHBondContact O-N 3.32Å; E240-K242 VanDerWaalsContact C-N 3.33Å; E240-K242 PolarHBondContact O-N 3.23Å; K242-K246 VanDerWaalsContact O-CB 3.25Å; K242-K246 WeakPolarHBondContact O-CB 3.13Å; K242-K246 PolarHBondContact O-N 2.99Å
243E50Low41.5Very low144 Ų144129.1 Ų129.167%0.67359%0.593SS**Hα-helixtrans-77.6-34.9171.1-82.5-170.6162.700111.7D239 E240 K246 E247D239-E243 WeakPolarHBondContact O-CB 3.3Å; D239-E243 PolarHBondContact O-N 3.25Å; E240-E243 PolarHBondContact O-N 2.92Å; E243-K246 PolarHBondContact O-N 2.85Å; E243-E247 WeakPolarHBondContact O-CB 3.07Å; E243-E247 PolarHBondContact O-N 3.07Å
244E48.3Very low41.3Very low134 Ų134127.4 Ų127.463%0.62658%0.577SS**Hα-helixtrans-68.5-39.1168.5-77.7-176.2161.300111.8E240 E247 E248E240-E244 WeakPolarHBondContact O-CB 3.32Å; E240-E244 WeakPolarHBondContact O-CG 3.43Å; E240-E244 PolarHBondContact O-N 2.95Å; E244-E247 PolarHBondContact O-N 3.37Å; E244-E248 VanDerWaalsContact O-CB 3.31Å; E244-E248 WeakPolarHBondContact O-CB 2.93Å; E244-E248 PolarHBondContact O-N 3.39Å
245E51.7Low41Very low125 Ų125129.4 Ų129.458%0.58458%0.578SS**Hα-helixtrans-67.2-37.4171.7-81.1176.4169.300111.2Q241 E248 E249Q241-E245 WeakPolarHBondContact O-CB 3.49Å; Q241-E245 VanDerWaalsContact O-CG 3.25Å; Q241-E245 WeakPolarHBondContact O-CG 3.45Å; Q241-E245 PolarHBondContact O-N 3.37Å; E245-E248 CarbonylContact O-C 3.46Å; E245-E248 PolarHBondContact O-N 3.37Å; E245-E249 WeakPolarHBondContact O-CA 3.16Å; E245-E249 WeakPolarHBondContact O-CB 3.23Å; E245-E249 PolarHBondContact O-N 3.24Å
246K48.7Very low40.6Very low134 Ų134135.8 Ų135.858%0.58361%0.609SS**Hα-helixtrans-71.9-34.1172.8-102.7-176166.5-170.70113.8K242 E243 E249 E250K242-K246 VanDerWaalsContact O-CB 3.25Å; K242-K246 WeakPolarHBondContact O-CB 3.13Å; K242-K246 PolarHBondContact O-N 2.99Å; E243-K246 PolarHBondContact O-N 2.85Å; K246-E249 PolarHBondContact O-N 2.82Å; K246-E250 VanDerWaalsContact O-CB 3.23Å; K246-E250 WeakPolarHBondContact O-CB 3.46Å; K246-E250 WeakPolarHBondContact O-CG 3.35Å; K246-E250 PolarHBondContact O-N 3.39Å
247E45.2Very low40.6Very low120 Ų120130.9 Ų130.956%0.56160%0.6SS**Hα-helixtrans-72.8-30171.3-91.8-163160.400111.5E243 E244 K251E243-E247 WeakPolarHBondContact O-CB 3.07Å; E243-E247 PolarHBondContact O-N 3.07Å; E244-E247 PolarHBondContact O-N 3.37Å; E247-K251 WeakPolarHBondContact O-CB 3.49Å; E247-K251 VanDerWaalsContact O-CD 3.29Å; E247-K251 WeakPolarHBondContact O-CD 3.42Å; E247-K251 WeakPolarHBondContact O-CG 3.26Å; E247-K251 PolarHBondContact O-N 2.97Å; E247-K251 VanDerWaalsContact O-N 3.07Å
248E45.5Very low40.5Very low103 Ų103127.5 Ų127.548%0.48159%0.592SS.*Hα-helixtrans-71.9-37167.4-87.5-152178.700111.8E244 E245 K251 R252E244-E248 VanDerWaalsContact O-CB 3.31Å; E244-E248 WeakPolarHBondContact O-CB 2.93Å; E244-E248 PolarHBondContact O-N 3.39Å; E245-E248 CarbonylContact O-C 3.46Å; E245-E248 PolarHBondContact O-N 3.37Å; E248-K251 CarbonylContact O-C 3.55Å; E248-K251 WeakPolarHBondContact O-CB 3.34Å; E248-K251 PolarHBondContact O-N 3.37Å; E248-R252 VanDerWaalsContact O-CB 3.29Å; E248-R252 WeakPolarHBondContact O-CB 3.36Å; E248-R252 WeakPolarHBondContact O-CD 3.27Å; E248-R252 WeakPolarHBondContact O-CG 3.24Å; E248-R252 PolarHBondContact O-N 3.31Å; E248-R252 IonicContact OE2-CZ 3.56Å; E248-R252 IonicContact OE2-NE 3.54Å; E248-R252 IonicContact OE2-NH2 3.06Å; E248-R252 PolarHBondContact OE2-NH2 3.42Å
249E41.6Very low40.4Very low111 Ų111129.5 Ų129.552%0.51961%0.606SS.*Hα-helixtrans-76.4-37.6-179.8-158.1167.6-143.600110.8E245 K246 K251 R252 E253E245-E249 WeakPolarHBondContact O-CA 3.16Å; E245-E249 WeakPolarHBondContact O-CB 3.23Å; E245-E249 PolarHBondContact O-N 3.24Å; K246-E249 PolarHBondContact O-N 2.82Å; E249-K251 VanDerWaalsContact C-N 3.3Å; E249-K251 PolarHBondContact O-N 2.97Å; E249-R252 CarbonylContact O-C 3.53Å; E249-R252 WeakPolarHBondContact O-CA 3.34Å; E249-R252 PolarHBondContact O-N 2.85Å; E249-E253 WeakPolarHBondContact O-CB 3.45Å; E249-E253 WeakPolarHBondContact O-CG 3.37Å; E249-E253 PolarHBondContact O-N 2.9Å
250E41Very low40.4Very low131 Ų131132.3 Ų132.361%0.61262%0.617SS**Hα-helixtrans-72.7-19.6168.1-74.4-175.8174.500112.9K246K246-E250 VanDerWaalsContact O-CB 3.23Å; K246-E250 WeakPolarHBondContact O-CB 3.46Å; K246-E250 WeakPolarHBondContact O-CG 3.35Å; K246-E250 PolarHBondContact O-N 3.39Å
251K38.2Very low40Very low149 Ų149129.9 Ų129.965%0.64861%0.608SS**Hα-helixtrans-80.4-25.1163.6-80.1169.4-171.9155.40112.6E247 E248 E249E247-K251 WeakPolarHBondContact O-CB 3.49Å; E247-K251 VanDerWaalsContact O-CD 3.29Å; E247-K251 WeakPolarHBondContact O-CD 3.42Å; E247-K251 WeakPolarHBondContact O-CG 3.26Å; E247-K251 PolarHBondContact O-N 2.97Å; E247-K251 VanDerWaalsContact O-N 3.07Å; E248-K251 CarbonylContact O-C 3.55Å; E248-K251 WeakPolarHBondContact O-CB 3.34Å; E248-K251 PolarHBondContact O-N 3.37Å; E249-K251 VanDerWaalsContact C-N 3.3Å; E249-K251 PolarHBondContact O-N 2.97Å
252R33.4Very low39.9Very low191 Ų191128.4 Ų128.472%0.72160%0.603SS**Hα-helixtrans-90.4-21.4177.1-74.4166.9-170.7-118.68.5113.7E248 E249 R254E248-R252 VanDerWaalsContact O-CB 3.29Å; E248-R252 WeakPolarHBondContact O-CB 3.36Å; E248-R252 WeakPolarHBondContact O-CD 3.27Å; E248-R252 WeakPolarHBondContact O-CG 3.24Å; E248-R252 PolarHBondContact O-N 3.31Å; E248-R252 IonicContact OE2-CZ 3.56Å; E248-R252 IonicContact OE2-NE 3.54Å; E248-R252 IonicContact OE2-NH2 3.06Å; E248-R252 PolarHBondContact OE2-NH2 3.42Å; E249-R252 CarbonylContact O-C 3.53Å; E249-R252 WeakPolarHBondContact O-CA 3.34Å; E249-R252 PolarHBondContact O-N 2.85Å; R252-R254 PolarHBondContact O-N 2.82Å
253E30.9Very low39.8Very low140 Ų140128.2 Ų128.265%0.65461%0.605SS**  trans-83.141.9179.7-78.5-169.2162.700113.7E249E249-E253 WeakPolarHBondContact O-CB 3.45Å; E249-E253 WeakPolarHBondContact O-CG 3.37Å; E249-E253 PolarHBondContact O-N 2.9Å
254R29.1Very low39.3Very low138 Ų138125.3 Ų125.352%0.52159%0.594SS.*SBendtrans-120.3102.8167.2-105.6179.8-85.7-171.3-1.3109.7R252R252-R254 PolarHBondContact O-N 2.82Å
255F29.7Very low38.9Very low140 Ų140122.7 Ų122.761%0.61458%0.583SS**  trans84107.7163.8-52.6-77.8000117.6E287F255-E287 WeakPolarHBondContact CB-OE1 3.38Å; F255-E287 VanDerWaalsContact CD2-OE1 3.29Å; F255-E287 WeakPolarHBondContact CD2-OE1 3.22Å
256L27.2Very low38.8Very low180 Ų180122.4 Ų122.494%0.94258%0.582SS**PPolyproline II helixtrans-70.6123.4172.1-70.4161.8000110.3
257V31.3Very low39Very low85 Ų85121.9 Ų121.952%0.51558%0.581SS.*PPolyproline II helixtrans-79.1129.4170.6178.90000108.9L261V257-L261 HydrophobicContact CG1-CB 4.02Å; V257-L261 HydrophobicContact CG1-CD2 4Å
258T37.9Very low38.9Very low86 Ų86119.7 Ų119.753%0.52858%0.576SS.*PPolyproline II helixtrans-76.5145.8173.854.90000110.7E260 L261 L262T258-E260 PolarHBondContact O-N 2.94Å; T258-E260 VanDerWaalsContact O-N 3.09Å; T258-L261 WeakPolarHBondContact O-CB 3.49Å; T258-L261 PolarHBondContact O-N 3.49Å; T258-L262 PolarHBondContact O-N 2.99Å
259D39.3Very low38.7Very low143 Ų143123 Ų12377%0.76559%0.588SS**Hα-helixtrans-55-29178-70.4-38.6000113L262 Q263D259-L262 PolarHBondContact O-N 3.4Å; D259-Q263 PolarHBondContact O-N 3Å
260E41.6Very low39.2Very low143 Ų143121.9 Ų121.967%0.66859%0.593SS**Hα-helixtrans-67-34.8176.5-165.2173-167.300112.6T258 N264T258-E260 PolarHBondContact O-N 2.94Å; T258-E260 VanDerWaalsContact O-N 3.09Å; E260-N264 PolarHBondContact O-N 3.05Å; E260-N264 PolarHBondContact O-ND2 3.21Å
261L37.1Very low39.3Very low85 Ų85117.4 Ų117.445%0.44558%0.577SS.*Hα-helixtrans-72.2-35.8176.7-152.191.5000111.2V257 T258 Q263 N264 I265V257-L261 HydrophobicContact CG1-CB 4.02Å; V257-L261 HydrophobicContact CG1-CD2 4Å; T258-L261 WeakPolarHBondContact O-CB 3.49Å; T258-L261 PolarHBondContact O-N 3.49Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; L261-N264 PolarHBondContact O-N 2.99Å; L261-I265 HydrophobicContact CD2-CD1 4.36Å; L261-I265 HydrophobicContact CG-CD1 4.49Å; L261-I265 WeakPolarHBondContact O-CD1 3.41Å; L261-I265 VanDerWaalsContact O-CG1 3.24Å; L261-I265 WeakPolarHBondContact O-CG1 3.42Å; L261-I265 PolarHBondContact O-N 2.93Å; L261-I265 VanDerWaalsContact O-N 3.13Å
262L41.7Very low39.6Very low88 Ų88119.8 Ų119.846%0.46159%0.59SS.*Hα-helixtrans-64.6-39.1177.1-169.569000111.5T258 D259 I265 Q266T258-L262 PolarHBondContact O-N 2.99Å; D259-L262 PolarHBondContact O-N 3.4Å; L262-I265 PolarHBondContact O-N 3.1Å; L262-Q266 WeakPolarHBondContact O-CG 3.34Å; L262-Q266 PolarHBondContact O-N 3.03Å; L262-Q266 VanDerWaalsContact O-N 3.13Å
263Q45.8Very low40.2Very low123 Ų123114.2 Ų114.258%0.57557%0.574SS**Hα-helixtrans-67-42.4177.9-165.2168.44.900112.1D259 L261 I265 Q266 E267D259-Q263 PolarHBondContact O-N 3Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; Q263-I265 VanDerWaalsContact C-N 3.32Å; Q263-I265 PolarHBondContact O-N 3.29Å; Q263-Q266 PolarHBondContact O-N 3.43Å; Q263-E267 PolarHBondContact O-N 2.93Å
264N40.8Very low40.4Very low83 Ų83113.1 Ų113.144%0.44458%0.579SS.*Hα-helixtrans-65.4-34.4177.1-67.6-24000112.6E260 L261 E267 V268E260-N264 PolarHBondContact O-N 3.05Å; E260-N264 PolarHBondContact O-ND2 3.21Å; L261-N264 PolarHBondContact O-N 2.99Å; N264-E267 PolarHBondContact O-N 3.41Å; N264-V268 WeakPolarHBondContact O-CG2 2.77Å; N264-V268 PolarHBondContact O-N 2.89Å; N264-V268 VanDerWaalsContact O-N 3.12Å
265I40.1Very low40.9Very low78 Ų78113.1 Ų113.140%0.458%0.579SS.*Hα-helixtrans-68.9-38.1175.2-68.7164.3000111.1L261 L262 Q263 V268 K269L261-I265 HydrophobicContact CD2-CD1 4.36Å; L261-I265 HydrophobicContact CG-CD1 4.49Å; L261-I265 WeakPolarHBondContact O-CD1 3.41Å; L261-I265 VanDerWaalsContact O-CG1 3.24Å; L261-I265 WeakPolarHBondContact O-CG1 3.42Å; L261-I265 PolarHBondContact O-N 2.93Å; L261-I265 VanDerWaalsContact O-N 3.13Å; L262-I265 PolarHBondContact O-N 3.1Å; Q263-I265 VanDerWaalsContact C-N 3.32Å; Q263-I265 PolarHBondContact O-N 3.29Å; I265-V268 PolarHBondContact O-N 3.43Å; I265-K269 HydrophobicContact CG2-CD 4.31Å; I265-K269 WeakPolarHBondContact O-CB 3.17Å; I265-K269 WeakPolarHBondContact O-CG 3.26Å; I265-K269 PolarHBondContact O-N 2.95Å
266Q48.7Very low41.1Very low119 Ų119107.8 Ų107.856%0.55656%0.559SS**Hα-helixtrans-67.7-35.8176-72.7175.2-10.200112.1L262 Q263 S270L262-Q266 WeakPolarHBondContact O-CG 3.34Å; L262-Q266 PolarHBondContact O-N 3.03Å; L262-Q266 VanDerWaalsContact O-N 3.13Å; Q263-Q266 PolarHBondContact O-N 3.43Å; Q266-S270 WeakPolarHBondContact O-CB 3.07Å; Q266-S270 PolarHBondContact O-N 2.65Å; Q266-S270 VanDerWaalsContact O-N 3.11Å; Q266-S270 PolarHBondContact O-OG 2.77Å
267E53.2Low41.7Very low123 Ų123104.7 Ų104.758%0.57554%0.543SS*.Hα-helixtrans-65.5-42.7172.9-82.1-173.2164.100112.6Q263 N264 S270 S271Q263-E267 PolarHBondContact O-N 2.93Å; N264-E267 PolarHBondContact O-N 3.41Å; E267-S270 WeakPolarHBondContact CA-OG 3.41Å; E267-S270 PolarHBondContact O-N 2.87Å; E267-S270 PolarHBondContact O-OG 2.88Å; E267-S271 PolarHBondContact O-N 3.41Å; E267-S271 VanDerWaalsContact O-N 3.13Å
268V42.3Very low42Very low74 Ų74105.1 Ų105.145%0.44854%0.543SS..Hα-helixtrans-68.5-39.8178.71750000111.5N264 I265 S270 S271N264-V268 WeakPolarHBondContact O-CG2 2.77Å; N264-V268 PolarHBondContact O-N 2.89Å; N264-V268 VanDerWaalsContact O-N 3.12Å; I265-V268 PolarHBondContact O-N 3.43Å; V268-S270 PolarHBondContact O-N 3.08Å; V268-S271 WeakPolarHBondContact O-CB 3.35Å; V268-S271 PolarHBondContact O-N 2.94Å; V268-S271 PolarHBondContact O-OG 3.49Å
269K41.9Very low42Very low172 Ų172104.8 Ų104.875%0.74854%0.537SS*.Hα-helixtrans-67.6-22.2175.2-75.6-175.5176.2-174.20113.7I265I265-K269 HydrophobicContact CG2-CD 4.31Å; I265-K269 WeakPolarHBondContact O-CB 3.17Å; I265-K269 WeakPolarHBondContact O-CG 3.26Å; I265-K269 PolarHBondContact O-N 2.95Å
270S52.3Low42.1Very low88 Ų88104.6 Ų104.662%0.61554%0.536SS*.Hα-helixtrans-93.2-3.8175.151.40000113.3Q266 E267 V268Q266-S270 WeakPolarHBondContact O-CB 3.07Å; Q266-S270 PolarHBondContact O-N 2.65Å; Q266-S270 VanDerWaalsContact O-N 3.11Å; Q266-S270 PolarHBondContact O-OG 2.77Å; E267-S270 WeakPolarHBondContact CA-OG 3.41Å; E267-S270 PolarHBondContact O-N 2.87Å; E267-S270 PolarHBondContact O-OG 2.88Å; V268-S270 PolarHBondContact O-N 3.08Å
271S43Very low41.9Very low38 Ų38105.2 Ų105.227%0.26654%0.54SS..SBendtrans-77.4121.4171.2760000110.1E267 V268 L273E267-S271 PolarHBondContact O-N 3.41Å; E267-S271 VanDerWaalsContact O-N 3.13Å; V268-S271 WeakPolarHBondContact O-CB 3.35Å; V268-S271 PolarHBondContact O-N 2.94Å; V268-S271 PolarHBondContact O-OG 3.49Å; S271-L273 PolarHBondContact O-N 3.03Å; S271-L273 WeakPolarHBondContact OG-CD1 3.47Å
272E45.2Very low41.7Very low199 Ų199107.3 Ų107.393%0.9355%0.545SS*.  trans-70.242.2178.2-61.5-176.5160.300112.6
273L44.3Very low41.4Very low74 Ų74111.5 Ų111.539%0.38757%0.568SS.*  trans-77.8137.4-176.2-69.9174.6000111.1S271 W275 S276S271-L273 PolarHBondContact O-N 3.03Å; S271-L273 WeakPolarHBondContact OG-CD1 3.47Å; L273-W275 HydrophobicContact CB-CD2 4.49Å; L273-W275 HydrophobicContact CB-CZ2 4.29Å; L273-W275 HydrophobicContact CD1-CH2 4.2Å; L273-W275 HydrophobicContact CD1-CZ2 3.53Å; L273-W275 PolarHBondContact O-N 3.26Å; L273-S276 WeakPolarHBondContact O-CB 3.44Å; L273-S276 PolarHBondContact O-N 2.73Å; L273-S276 PolarHBondContact O-OG 2.84Å
274P36.7Very low40.8Very low116 Ų116110.3 Ų110.375%0.75356%0.561SS**THydrogen-bonded Turntrans-58.4-14.8-171.3-25.332.6000116.5
275W38.5Very low40.3Very low138 Ų138111.1 Ų111.152%0.52357%0.571SS.*THydrogen-bonded Turntrans-107.1-1.8-178.750.4-97.1000113.6L273 N277 N278 L279L273-W275 HydrophobicContact CB-CD2 4.49Å; L273-W275 HydrophobicContact CB-CZ2 4.29Å; L273-W275 HydrophobicContact CD1-CH2 4.2Å; L273-W275 HydrophobicContact CD1-CZ2 3.53Å; L273-W275 PolarHBondContact O-N 3.26Å; W275-N277 PolarHBondContact O-N 3.17Å; W275-N278 PolarHBondContact O-N 3.42Å; W275-N278 VanDerWaalsContact O-N 3.1Å; W275-L279 HydrophobicContact CZ3-CD1 4.3Å
276S34.7Very low39.7Very low28 Ų28116.7 Ų116.720%0.19660%0.595CS.*G310 helixtrans-60.3-34.8177.262.90000112.1L273 N278 L279L273-S276 WeakPolarHBondContact O-CB 3.44Å; L273-S276 PolarHBondContact O-N 2.73Å; L273-S276 PolarHBondContact O-OG 2.84Å; S276-N278 PolarHBondContact O-N 3.38Å; S276-L279 PolarHBondContact O-N 2.84Å
277N38.9Very low38.7Very low115 Ų115117 Ų11762%0.61560%0.597SS**G310 helixtrans-68-10.4177.1-59.9-29.1000114.5W275W275-N277 PolarHBondContact O-N 3.17Å
278N39.1Very low37.5Very low94 Ų94114.5 Ų114.550%0.50359%0.59SS.*G310 helixtrans-95.6-7.5179.7-67.4-34.1000113.1W275 S276W275-N278 PolarHBondContact O-N 3.42Å; W275-N278 VanDerWaalsContact O-N 3.1Å; S276-N278 PolarHBondContact O-N 3.38Å
279L37.8Very low36.6Very low79 Ų79117 Ų11741%0.41461%0.606SS.*G310 helixtrans-73.9-17.9171.5-71162.6000111.9W275 S276 Q281 F284W275-L279 HydrophobicContact CZ3-CD1 4.3Å; S276-L279 PolarHBondContact O-N 2.84Å; L279-Q281 PolarHBondContact O-N 3.49Å; L279-F284 HydrophobicContact CB-CE2 4.37Å; L279-F284 HydrophobicContact CD2-CE2 3.7Å; L279-F284 HydrophobicContact CD2-CZ 3.99Å; L279-F284 WeakPolarHBondContact O-CE2 3.38Å
280D39.5Very low35.7Very low139 Ų139114.6 Ų114.674%0.74361%0.605SS**G310 helixtrans-74.6-7.7179.7-65.1-24.8000113.9
281Q37.3Very low34.5Very low157 Ų157117.9 Ų117.973%0.73461%0.614SS**G310 helixtrans-91.6-1.2178.5-68-176.51700114L279L279-Q281 PolarHBondContact O-N 3.49Å
282F34.4Very low33.6Very low129 Ų129119.6 Ų119.657%0.56663%0.63SS**  trans-124.5114-176.9-67.9-86.7000109.1F284F282-F284 HydrophobicContact CB-CD1 3.92Å; F282-F284 HydrophobicContact CB-CD2 3.65Å; F282-F284 HydrophobicContact CB-CE1 3.53Å; F282-F284 HydrophobicContact CB-CE2 3.27Å; F282-F284 HydrophobicContact CB-CG 3.98Å; F282-F284 HydrophobicContact CB-CZ 3.19Å; F282-F284 HydrophobicContact CD1-CE1 4.22Å; F282-F284 HydrophobicContact CD1-CZ 4.29Å; F282-F284 HydrophobicContact CD2-CE1 4.43Å; F282-F284 HydrophobicContact CD2-CE2 4.23Å; F282-F284 AromaticContact CD2-CZ 3.71Å; F282-F284 HydrophobicContact CD2-CZ 3.71Å; F282-F284 AromaticContact CG-CE1 3.84Å; F282-F284 HydrophobicContact CG-CE1 3.84Å; F282-F284 HydrophobicContact CG-CE2 4.03Å; F282-F284 AromaticContact CG-CZ 3.49Å; F282-F284 HydrophobicContact CG-CZ 3.49Å; F282-F284 VanDerWaalsContact CG-CZ 3.49Å; F282-F284 VanDerWaalsContact O-CD2 3.23Å; F282-F284 WeakPolarHBondContact O-CD2 3.44Å; F282-F284 PolarHBondContact O-N 3.48Å
283D35.4Very low32.6Very low175 Ų175116.3 Ų116.394%0.93662%0.619SS**  trans-6884.9161.1-89.3-33.5000107.6P285D283-P285 WeakPolarHBondContact O-CD 3.42Å
284F33.8Very low31.7Very low98 Ų98118.2 Ų118.243%0.4363%0.634SS.*  trans-76.5115.9177.4-64.8-72.1000109.5L279 F282L279-F284 HydrophobicContact CB-CE2 4.37Å; L279-F284 HydrophobicContact CD2-CE2 3.7Å; L279-F284 HydrophobicContact CD2-CZ 3.99Å; L279-F284 WeakPolarHBondContact O-CE2 3.38Å; F282-F284 HydrophobicContact CB-CD1 3.92Å; F282-F284 HydrophobicContact CB-CD2 3.65Å; F282-F284 HydrophobicContact CB-CE1 3.53Å; F282-F284 HydrophobicContact CB-CE2 3.27Å; F282-F284 HydrophobicContact CB-CG 3.98Å; F282-F284 HydrophobicContact CB-CZ 3.19Å; F282-F284 HydrophobicContact CD1-CE1 4.22Å; F282-F284 HydrophobicContact CD1-CZ 4.29Å; F282-F284 HydrophobicContact CD2-CE1 4.43Å; F282-F284 HydrophobicContact CD2-CE2 4.23Å; F282-F284 AromaticContact CD2-CZ 3.71Å; F282-F284 HydrophobicContact CD2-CZ 3.71Å; F282-F284 AromaticContact CG-CE1 3.84Å; F282-F284 HydrophobicContact CG-CE1 3.84Å; F282-F284 HydrophobicContact CG-CE2 4.03Å; F282-F284 AromaticContact CG-CZ 3.49Å; F282-F284 HydrophobicContact CG-CZ 3.49Å; F282-F284 VanDerWaalsContact CG-CZ 3.49Å; F282-F284 VanDerWaalsContact O-CD2 3.23Å; F282-F284 WeakPolarHBondContact O-CD2 3.44Å; F282-F284 PolarHBondContact O-N 3.48Å
285P28.8Very low31.1Very low101 Ų101115.9 Ų115.966%0.65662%0.624SS**  trans-59.1141.5159.325.2-30.9000108.7D283 E287D283-P285 WeakPolarHBondContact O-CD 3.42Å; P285-E287 PolarHBondContact O-N 2.9Å
286E28.4Very low30.5Very low194 Ų194114.5 Ų114.591%0.90763%0.631SS**SBendtrans-60.322.5-164.2-67.8-179.514600117.4
287E28.3Very low30.2Very low125 Ų125121.1 Ų121.158%0.58466%0.658SS**  trans-140.460.1-178.1-63.6-175.1159.200112.2F255 P285F255-E287 WeakPolarHBondContact CB-OE1 3.38Å; F255-E287 VanDerWaalsContact CD2-OE1 3.29Å; F255-E287 WeakPolarHBondContact CD2-OE1 3.22Å; P285-E287 PolarHBondContact O-N 2.9Å
288T26.2Very low29.6Very low71 Ų71118.4 Ų118.444%0.43665%0.646SS.*  trans-142.2102168.9-150000112.4
289V24.7Very low29.2Very low128 Ų128116.7 Ų116.778%0.77664%0.641SS**  trans-86115.7169.6178.20000108.7I291V289-I291 HydrophobicContact CG1-CG1 4.31Å
290V23.4Very low28.9Very low120 Ų120121.1 Ų121.173%0.72766%0.659SS**  trans-116.6125163.7178.10000106.1
291I26.8Very low28.4Very low157 Ų157121.1 Ų121.181%0.80566%0.655SS**  trans-129.3117.3162.3-58.3-179000108.2V289V289-I291 HydrophobicContact CG1-CG1 4.31Å
292A23.8Very low28Very low74 Ų74120.7 Ų120.761%0.61265%0.651SS**  trans-82.6155.2172.400000111.6
293D24.6Very low27.9Very low130 Ų130117.8 Ų117.870%0.69564%0.641SS**  trans48.3104.2160.2-81.6-14.2000120
294V24.5Very low27.6Very low115 Ų115112.8 Ų112.870%0.69762%0.624SS**  -141.3135.3127.4-177.30000109.2T298V294-T298 HydrophobicContact CG1-CG2 3.97Å; V294-T298 WeakPolarHBondContact CG1-OG1 2.92Å
295A24.7Very low27.3Very low67 Ų67113.8 Ų113.855%0.55463%0.633SS**  trans-41.6163.6175.800000116.5Q297 T298A295-Q297 PolarHBondContact O-N 3.25Å; A295-T298 PolarHBondContact O-N 2.9Å; A295-T298 PolarHBondContact O-OG1 3.48Å
296V25.8Very low27.2Very low109 Ų109112.3 Ų112.366%0.66163%0.629SS**THydrogen-bonded Turntrans-38.2-3.4171.9174.20000117R336V296-R336 VanDerWaalsContact CG2-CZ 3.45Å
297Q28.8Very low27.3Very low167 Ų167107.4 Ų107.478%0.7861%0.612SS**THydrogen-bonded Turntrans-103.7-12-175.2-78174.7-17.100116A295A295-Q297 PolarHBondContact O-N 3.25Å
298T26.2Very low27.2Very low57 Ų57105.8 Ų105.835%0.3562%0.615SS.*SBendtrans-102.6-7.9-176.242.50000114.9V294 A295 E300 F302V294-T298 HydrophobicContact CG1-CG2 3.97Å; V294-T298 WeakPolarHBondContact CG1-OG1 2.92Å; A295-T298 PolarHBondContact O-N 2.9Å; A295-T298 PolarHBondContact O-OG1 3.48Å; T298-E300 VanDerWaalsContact C-N 3.35Å; T298-E300 PolarHBondContact O-N 3.4Å; T298-F302 WeakPolarHBondContact O-CB 3.49Å; T298-F302 PolarHBondContact O-N 3.4Å; T298-F302 VanDerWaalsContact O-N 3.16Å
299C30.1Very low27Very low59 Ų59106.3 Ų106.340%0.39963%0.626SS.*Hα-helixtrans-71.2-24.8176.7-86.20000113.8I303C299-I303 WeakPolarHBondContact O-CB 3.48Å; C299-I303 WeakPolarHBondContact O-CD1 3.32Å; C299-I303 WeakPolarHBondContact O-CG1 3.46Å; C299-I303 PolarHBondContact O-N 2.97Å
300E32.3Very low27Very low171 Ų171109.5 Ų109.580%0.79963%0.633SS**Hα-helixtrans-79.7-36176.7-66.5-168.2153.700112.7T298 A304T298-E300 VanDerWaalsContact C-N 3.35Å; T298-E300 PolarHBondContact O-N 3.4Å; E300-A304 PolarHBondContact O-N 2.89Å
301Q29.2Very low27.2Very low139 Ų139109.4 Ų109.465%0.6563%0.634SS**Hα-helixtrans-81.4-30.1-179.2-67.4-175-5.900113.2A304 L305Q301-A304 PolarHBondContact O-N 3.49Å; Q301-L305 PolarHBondContact O-N 3.12Å; Q301-L305 VanDerWaalsContact O-N 3.13Å
302F28.9Very low27.1Very low149 Ų149113.7 Ų113.765%0.65464%0.64SS**Hα-helixtrans-78.3-25.2174.8-120.7-95.4000113.2T298 A306T298-F302 WeakPolarHBondContact O-CB 3.49Å; T298-F302 PolarHBondContact O-N 3.4Å; T298-F302 VanDerWaalsContact O-N 3.16Å; F302-A306 VanDerWaalsContact O-CB 3.24Å; F302-A306 WeakPolarHBondContact O-CB 3.35Å; F302-A306 PolarHBondContact O-N 3.15Å
303I31.3Very low27.1Very low68 Ų68116.2 Ų116.235%0.34965%0.648SS.*Hα-helixtrans-71.9-36.1169.6-69.2171.8000110M1 C299 L305 T307M1-I303 HydrophobicContact CB-CD1 4.15Å; C299-I303 WeakPolarHBondContact O-CB 3.48Å; C299-I303 WeakPolarHBondContact O-CD1 3.32Å; C299-I303 WeakPolarHBondContact O-CG1 3.46Å; C299-I303 PolarHBondContact O-N 2.97Å; I303-L305 PolarHBondContact O-N 3.18Å; I303-T307 WeakPolarHBondContact O-CB 3.46Å; I303-T307 PolarHBondContact O-N 3.4Å; I303-T307 PolarHBondContact O-OG1 3.46Å
304A29.7Very low27.4Very low70 Ų70116.6 Ų116.658%0.57966%0.655SS**Hα-helixtrans-65.9-33.7172.600000113.4E300 Q301E300-A304 PolarHBondContact O-N 2.89Å; Q301-A304 PolarHBondContact O-N 3.49Å
305L26.2Very low27.5Very low118 Ų118117.9 Ų117.962%0.61866%0.658SS**Hα-helixtrans-84.5-26.9178.9-80.9159.1000114.3Q301 I303 S308Q301-L305 PolarHBondContact O-N 3.12Å; Q301-L305 VanDerWaalsContact O-N 3.13Å; I303-L305 PolarHBondContact O-N 3.18Å; L305-S308 PolarHBondContact O-OG 2.91Å; L305-S308 VanDerWaalsContact O-OG 3.13Å
306A28.1Very low27.8Very low70 Ų70123.3 Ų123.358%0.57967%0.672SS**Hα-helixtrans-82.2-17176.800000113.4F302 S308F302-A306 VanDerWaalsContact O-CB 3.24Å; F302-A306 WeakPolarHBondContact O-CB 3.35Å; F302-A306 PolarHBondContact O-N 3.15Å; A306-S308 VanDerWaalsContact C-N 3.29Å; A306-S308 PolarHBondContact O-N 3.46Å
307T29Very low28Very low91 Ų91122.7 Ų122.756%0.55867%0.67SS**THydrogen-bonded Turntrans-84.7-0179.2-45.20000112.6I303I303-T307 WeakPolarHBondContact O-CB 3.46Å; I303-T307 PolarHBondContact O-N 3.4Å; I303-T307 PolarHBondContact O-OG1 3.46Å
308S26.6Very low27.9Very low92 Ų92122.6 Ų122.664%0.64367%0.67SS**THydrogen-bonded Turntrans-112.213.3-174.962.20000116L305 A306L305-S308 PolarHBondContact O-OG 2.91Å; L305-S308 VanDerWaalsContact O-OG 3.13Å; A306-S308 VanDerWaalsContact C-N 3.29Å; A306-S308 PolarHBondContact O-N 3.46Å
309A23.5Very low27.8Very low81 Ų81127.2 Ų127.267%0.66969%0.687SS**  trans-130.885.7-176.300000113.6
310H24.7Very low27.6Very low196 Ų196131.6 Ų131.691%0.90771%0.706SS**  trans-98137.8157.8-95.2-53.3000109.6
311P26.6Very low27.2Very low117 Ų117135 Ų13576%0.7671%0.713SS**  trans-137.6118.3144.321.9-0.7000114.9
312R24.4Very low27.1Very low247 Ų247134.7 Ų134.793%0.93271%0.706SS**  trans44128.2134.5-62.7-176.8179.5169.60.6121.8
313V25.1Very low27.1Very low127 Ų127131 Ų13177%0.7770%0.699SS**  trans-77141.6170.7177.90000112.1
314T29.5Very low27.4Very low138 Ų138132.9 Ų132.985%0.84772%0.715SS**  trans-150.7151148.142.80000110.8
315D28.2Very low27.4Very low142 Ų142135.8 Ų135.876%0.75973%0.73SS**  trans-86.7167.2-148.9-57.9-63.1000119.4
316E29.6Very low28Very low182 Ų182134.4 Ų134.485%0.8572%0.716SS**  trans91.3145.1153.7-71.1-74.5121.500120.9
317P30.5Very low28.2Very low96 Ų96133.2 Ų133.262%0.62370%0.702SS**  trans-115.4155.7-140.741.2-31.3000113.6
318E26.3Very low28.3Very low164 Ų164128.9 Ų128.977%0.76668%0.675SS**  trans-179.4127.7134.4-101.1-177.2156.700111.5
319Q24.7Very low28.8Very low154 Ų154125.9 Ų125.972%0.7265%0.652SS**  trans63.789.1141.8-56.9176.229.900120.1
320L25.4Very low29.3Very low151 Ų151122 Ų12279%0.79162%0.62SS**  173.1106.7122.2-121.978.4000109.8R322L320-R322 PolarHBondContact O-N 3.44Å; L320-R322 VanDerWaalsContact O-N 3.11Å
321Y24.5Very low29.7Very low242 Ų242115.7 Ų115.795%0.94959%0.588SS**  trans-76.996.5172.8-111.6-93.5000109.9
322R27.4Very low30Very low134 Ų134110.2 Ų110.251%0.50655%0.552SS.*PPolyproline II helixtrans-97.2121.5159.1-91-174-178161.54.3108.1L320L320-R322 PolarHBondContact O-N 3.44Å; L320-R322 VanDerWaalsContact O-N 3.11Å
323S28.2Very low30.3Very low71 Ų71100.3 Ų100.350%0.49752%0.516SS..PPolyproline II helixtrans-71.4137.8176.154.70000111.6
324P36.5Very low30.4Very low108 Ų10894.7 Ų94.770%0.70148%0.482SS*.PPolyproline II helixtrans-69.2136.7176.526.4-31.4000111.8
325C31.6Very low30.4Very low131 Ų13189.8 Ų89.889%0.88545%0.453SS*.PPolyproline II helixtrans-72.9137.2175.9-66.80000110.7
326R37.9Very low30.4Very low88 Ų8887.1 Ų87.133%0.33243%0.433SS..  trans-109.8151.1-177.6-61.5-176.1176.6111.47.1112.2K46 Y74 K75K46-R326 VanDerWaalsContact CG-NH1 3.33Å; K46-R326 WeakPolarHBondContact O-CD 3.45Å; K46-R326 PolarHBondContact O-NE 2.75Å; Y74-R326 HydrophobicContact CD1-CB 4.03Å; Y74-R326 HydrophobicContact CE1-CB 3.95Å; K75-R326 PolarHBondContact N-O 2.98Å
327T31.6Very low30.4Very low45 Ų4578.9 Ų78.928%0.27639%0.394SS..EExtended strand (participates in β ladder)trans-127.7133.7-169.6-620000112.6P48 L49 V50 Y74 F77 I329P48-T327 PolarHBondContact O-N 3.45Å; L49-T327 VanDerWaalsContact CA-O 3.24Å; L49-T327 WeakPolarHBondContact CA-O 3.48Å; L49-T327 HydrophobicContact CD1-CG2 4.08Å; V50-T327 PolarHBondContact N-O 2.86Å; Y74-T327 VanDerWaalsContact CD1-C 3.47Å; Y74-T327 WeakPolarHBondContact CD1-O 3.35Å; F77-T327 HydrophobicContact CD2-CG2 3.74Å; F77-T327 HydrophobicContact CE2-CG2 3.51Å; T327-I329 HydrophobicContact CG2-CD1 4.44Å; T327-I329 HydrophobicContact CG2-CG1 3.96Å
328T32.1Very low30.6Very low0 Ų076 Ų760%037%0.373CS..EExtended strand (participates in β ladder)trans-118.1132.6170-71.40000108.5M43 V50 A69 Y74 K75 I76 F77M43-T328 HydrophobicContact CE-CG2 4.09Å; V50-T328 HydrophobicContact CB-CG2 4.47Å; V50-T328 WeakPolarHBondContact O-CA 3.49Å; A69-T328 HydrophobicContact CB-CG2 3.9Å; Y74-T328 VanDerWaalsContact CB-OG1 3.26Å; Y74-T328 WeakPolarHBondContact CB-OG1 3.35Å; Y74-T328 WeakPolarHBondContact CD1-OG1 3.38Å; K75-T328 PolarHBondContact O-N 3.22Å; I76-T328 WeakPolarHBondContact CA-O 3.25Å; F77-T328 PolarHBondContact N-O 2.98Å
329I36.7Very low31.1Very low30 Ų3069.2 Ų69.215%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-117.8116.6178.5-58.2-178.9000108.3L49 V50 I51 I52 F77 L79 T327 R331L49-I329 HydrophobicContact CD1-CB 4.39Å; L49-I329 HydrophobicContact CD1-CD1 3.65Å; L49-I329 HydrophobicContact CD1-CG1 3.69Å; V50-I329 PolarHBondContact O-N 3.41Å; I51-I329 VanDerWaalsContact CA-O 3.32Å; I51-I329 WeakPolarHBondContact CA-O 3.41Å; I51-I329 HydrophobicContact CG1-CB 4.48Å; I52-I329 PolarHBondContact N-O 3.37Å; F77-I329 HydrophobicContact CB-CG1 4.41Å; F77-I329 HydrophobicContact CB-CG2 4.5Å; F77-I329 HydrophobicContact CD2-CG1 4.22Å; L79-I329 HydrophobicContact CD1-CG2 3.33Å; L79-I329 HydrophobicContact CG-CG2 3.78Å; T327-I329 HydrophobicContact CG2-CD1 4.44Å; T327-I329 HydrophobicContact CG2-CG1 3.96Å; I329-R331 HydrophobicContact CG2-CG 3.96Å
330V34.5Very low31.6Very low0 Ų062 Ų620%031%0.309CS..EExtended strand (participates in β ladder)trans-92.5111.3169.1-177.90000107.1I52 M62 I76 F77 F78 L79I52-V330 HydrophobicContact CG1-CG2 4.35Å; M62-V330 HydrophobicContact CG-CG1 3.86Å; M62-V330 HydrophobicContact SD-CG1 3.86Å; I76-V330 HydrophobicContact CG2-CG2 4.18Å; F77-V330 WeakPolarHBondContact O-CA 3.3Å; F77-V330 WeakPolarHBondContact O-CB 3.39Å; F77-V330 PolarHBondContact O-N 3.31Å; F77-V330 VanDerWaalsContact O-O 3.1Å; F78-V330 CarbonylContact C-O 3.59Å; F78-V330 WeakPolarHBondContact CA-O 3.49Å; F78-V330 HydrophobicContact CD1-CB 4.15Å; F78-V330 HydrophobicContact CD1-CG1 4.26Å; F78-V330 HydrophobicContact CE1-CB 4.46Å; L79-V330 PolarHBondContact N-O 3.48Å
331R32.7Very low32Very low63 Ų6356.6 Ų56.624%0.23828%0.282CS..EExtended strand (participates in β ladder)trans-89.7141.8174.9-66.2-171.2174.7154.1-5.4109.9I51 I52 N56 L79 I329 F333I51-R331 HydrophobicContact CG2-CG 4.13Å; I52-R331 PolarHBondContact O-N 3.27Å; I52-R331 VanDerWaalsContact O-N 3.1Å; N56-R331 PolarHBondContact ND2-O 3.11Å; L79-R331 HydrophobicContact CB-CG 4.26Å; L79-R331 HydrophobicContact CD1-CG 4.01Å; I329-R331 HydrophobicContact CG2-CG 3.96Å; R331-F333 HydrophobicContact CB-CD2 3.91Å; R331-F333 HydrophobicContact CB-CE2 3.65Å; R331-F333 HydrophobicContact CG-CE2 4.11Å
332R33.4Very low32.5Very low1 Ų145.8 Ų45.80%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-120.6104.9172.1-68.2175.5131.6-165.1-12.4106.1N56 T57 M62 L79 E80 P81 F112 E113 V116N56-R332 HydrophobicContact CB-CG 3.98Å; N56-R332 PolarHBondContact O-NE 3.41Å; T57-R332 PolarHBondContact O-NH2 3.4Å; M62-R332 HydrophobicContact SD-CG 4.21Å; M62-R332 PolarHBondContact SD-NE 3.03Å; L79-R332 CarbonylContact O-C 3.6Å; L79-R332 VanDerWaalsContact O-CA 3.31Å; L79-R332 WeakPolarHBondContact O-CA 3.36Å; L79-R332 VanDerWaalsContact O-CB 3.31Å; L79-R332 WeakPolarHBondContact O-CB 3.4Å; L79-R332 PolarHBondContact O-N 3.13Å; E80-R332 CarbonylContact C-O 3.5Å; E80-R332 HydrophobicContact CG-CB 4.39Å; E80-R332 IonicContact OE1-NH1 3.01Å; E80-R332 PolarHBondContact OE1-NH1 3.41Å; P81-R332 WeakPolarHBondContact CD-O 3.2Å; P81-R332 VanDerWaalsContact CG-O 3.31Å; P81-R332 WeakPolarHBondContact CG-O 3.35Å; F112-R332 HydrophobicContact CE2-CB 4.49Å; F112-R332 HydrophobicContact CZ-CB 4.35Å; E113-R332 PolarHBondContact O-NH1 2.65Å; E113-R332 PolarHBondContact O-NH2 3.44Å; V116-R332 VanDerWaalsContact CB-NH1 3.31Å; V116-R332 VanDerWaalsContact CG2-CZ 3.46Å; V116-R332 VanDerWaalsContact CG2-NH2 3.27Å
333F29.8Very low32.8Very low40 Ų4040.8 Ų40.818%0.17523%0.229CC..  trans-103.6138.6178.3-78.7-75000110.7D53 R331 R336D53-F333 WeakPolarHBondContact OD1-CD2 3.39Å; D53-F333 WeakPolarHBondContact OD1-CE2 3.31Å; R331-F333 HydrophobicContact CB-CD2 3.91Å; R331-F333 HydrophobicContact CB-CE2 3.65Å; R331-F333 HydrophobicContact CG-CE2 4.11Å; F333-R336 HydrophobicContact CB-CB 4.24Å; F333-R336 HydrophobicContact CD1-CB 4.46Å; F333-R336 HydrophobicContact CG-CB 4.27Å
334V27.6Very low33.1Very low9 Ų944 Ų446%0.05524%0.24CC..SBendtrans-118.7-5.1158.3-163.70000109.2P81 R86 F87 C92 I109 F112P81-V334 HydrophobicContact CG-CB 3.72Å; P81-V334 HydrophobicContact CG-CG2 3.59Å; R86-V334 HydrophobicContact CB-CB 4.06Å; R86-V334 WeakPolarHBondContact O-CB 3.4Å; R86-V334 WeakPolarHBondContact O-CG1 3.45Å; F87-V334 HydrophobicContact CE1-CG2 4.27Å; C92-V334 PolarHBondContact SG-O 3.32Å; I109-V334 HydrophobicContact CG1-CG1 4.26Å; F112-V334 HydrophobicContact CD2-CG2 4.07Å; F112-V334 HydrophobicContact CE2-CG2 3.83Å
335S29Very low33.2Very low34 Ų3442.5 Ų42.524%0.23822%0.224CC..SBendtrans-101.7-6.2177.61220000114.6T83 W85T83-S335 VanDerWaalsContact OG1-CB 3.29Å; T83-S335 WeakPolarHBondContact OG1-CB 3.3Å; W85-S335 WeakPolarHBondContact CH2-O 3.37Å; W85-S335 VanDerWaalsContact CZ3-CA 3.47Å
336R29.1Very low33.4Very low86 Ų8640.4 Ų40.433%0.32521%0.211SC..  trans-131.288.5162.6-73.6-169-165171.27.1105.8V296 F333 D338V296-R336 VanDerWaalsContact CG2-CZ 3.45Å; F333-R336 HydrophobicContact CB-CB 4.24Å; F333-R336 HydrophobicContact CD1-CB 4.46Å; F333-R336 HydrophobicContact CG-CB 4.27Å; R336-D338 PolarHBondContact O-N 3.48Å
337I29Very low33Very low9 Ų944.7 Ų44.75%0.04623%0.234CC..  trans-79.776.3167.5-57-175.1000104.8C92 V100 I105 M108C92-I337 HydrophobicContact CB-CD1 3.85Å; V100-I337 HydrophobicContact CB-CG2 3.91Å; V100-I337 HydrophobicContact CG1-CG2 3.94Å; V100-I337 HydrophobicContact CG2-CG2 3.73Å; I105-I337 HydrophobicContact CB-CD1 4.14Å; I105-I337 HydrophobicContact CD1-CD1 3.66Å; I105-I337 HydrophobicContact CG1-CD1 3.53Å; I105-I337 HydrophobicContact CG1-CG2 4.45Å; I105-I337 HydrophobicContact CG2-CD1 3.64Å; M108-I337 HydrophobicContact CE-CD1 4.13Å; M108-I337 HydrophobicContact CE-CG2 3.61Å
338D34.7Very low33.1Very low35 Ų3547.1 Ų47.119%0.18726%0.259CS..  trans-78.5131.9161.2-58.9-32.5000105.5D11 H98 R336 S340D11-D338 WeakPolarHBondContact OD2-CB 3.34Å; H98-D338 IonicContact CD2-OD1 3.36Å; R336-D338 PolarHBondContact O-N 3.48Å; D338-S340 PolarHBondContact O-N 3.37Å
339Q37.7Very low33.3Very low22 Ų2253.4 Ų53.410%0.10330%0.297CS..SBendtrans-62.4101.9-159.3-93.8178.38.500113.1D11 Y21 F23 H98 V100D11-Q339 PolarHBondContact OD2-N 2.91Å; Y21-Q339 VanDerWaalsContact CE1-OE1 3.24Å; Y21-Q339 WeakPolarHBondContact OH-CB 3.28Å; Y21-Q339 PolarHBondContact OH-OE1 3.04Å; F23-Q339 VanDerWaalsContact CB-OE1 3.31Å; H98-Q339 HydrophobicContact CB-CB 4.39Å; H98-Q339 HydrophobicContact CB-CG 3.61Å; H98-Q339 PolarHBondContact O-NE2 3.05Å; V100-Q339 HydrophobicContact CG2-CB 4.49Å; V100-Q339 HydrophobicContact CG2-CG 3.39Å
340S34.9Very low33.8Very low4 Ų455.6 Ų55.63%0.02831%0.309CS..SBendtrans-141.190153.769.60000110.3T55 D338T55-S340 PolarHBondContact OG1-O 3.26Å; T55-S340 PolarHBondContact OG1-OG 3.32Å; T55-S340 VanDerWaalsContact OG1-OG 3.12Å; D338-S340 PolarHBondContact O-N 3.37Å
341T32.9Very low34.2Very low36 Ų3657.6 Ų57.622%0.22133%0.33CS..  trans139.949.9161.952.40000113.8R107 M108R107-T341 PolarHBondContact NH2-O 2.94Å; M108-T341 PolarHBondContact SD-OG1 3.45Å
342T35.2Very low35.3Very low16 Ų1660.2 Ų60.210%0.09835%0.349CS..  trans-90.994.6158.448.40000108.7F23 V100F23-T342 VanDerWaalsContact CE1-OG1 3.28Å; F23-T342 WeakPolarHBondContact CE1-OG1 3.24Å; V100-T342 HydrophobicContact CG1-CG2 3.83Å
343A34.6Very low36.6Very low29 Ų2962 Ų6224%0.2436%0.361CS..  trans-85103.6152.600000105.1E345 Q382A343-E345 VanDerWaalsContact C-N 3.32Å; A343-E345 PolarHBondContact O-N 3.49Å; A343-Q382 HydrophobicContact CB-CG 4.47Å
344D33.5Very low38.8Very low137 Ų13761.2 Ų61.273%0.73336%0.359SS*.  trans-65.396.1166.4-79.9-30.6000107.6
345E37.9Very low41.4Very low78 Ų7863.2 Ų63.236%0.36437%0.365SS..  trans-99.4110.4166.7-67.4-137.4149.900109.3A343 E347 N354A343-E345 VanDerWaalsContact C-N 3.32Å; A343-E345 PolarHBondContact O-N 3.49Å; E345-E347 HydrophobicContact CB-CG 4.5Å; E345-E347 PolarHBondContact O-N 3.04Å; E345-N354 PolarHBondContact OE1-ND2 3.46Å
346S35.8Very low43.9Very low87 Ų8766.8 Ų66.861%0.60838%0.378SS*.  trans-64.378.4159.442.70000109A348S346-A348 PolarHBondContact O-N 3.24Å
347E30.7Very low46.3Very low177 Ų17764.4 Ų64.483%0.82737%0.373SS*.THydrogen-bonded Turntrans-64.998.4169.5-71.1-171.8167.800109.4E345E345-E347 HydrophobicContact CB-CG 4.5Å; E345-E347 PolarHBondContact O-N 3.04Å
348A32.4Very low48.9Very low96 Ų9664 Ų6479%0.79337%0.37SS*.THydrogen-bonded Turntrans-177.8-11.9143.100000115S346S346-A348 PolarHBondContact O-N 3.24Å
349V37.6Very low51.2Low133 Ų13368.2 Ų68.281%0.80638%0.384SS*.THydrogen-bonded Turntrans-139.6-6.4-174.2-169.70000114.7
350N46Very low53.3Low75 Ų7570.3 Ų70.340%0.40140%0.401SS..  trans-1009.5-163.8-96.217.8000117.4N352 C353 N354N350-N352 PolarHBondContact O-N 2.93Å; N350-N352 VanDerWaalsContact O-N 3.07Å; N350-C353 VanDerWaalsContact CA-SG 3.58Å; N350-C353 WeakPolarHBondContact CB-SG 3.43Å; N350-C353 PolarHBondContact ND2-SG 2.73Å; N350-C353 PolarHBondContact O-N 3.39Å; N350-C353 VanDerWaalsContact O-N 3.13Å; N350-C353 PolarHBondContact O-SG 3.1Å; N350-C353 PolarHBondContact OD1-SG 2.97Å; N350-C353 VanDerWaalsContact OD1-SG 3.37Å; N350-N354 PolarHBondContact O-N 3.44Å
351G44.5Very low55.5Low42 Ų4270.1 Ų70.143%0.43340%0.4SS..Hα-helixtrans-58-28.2-176.200000115.1
352N54.2Low57.8Low119 Ų11968.4 Ų68.464%0.63639%0.389SS*.Hα-helixtrans-81.1-39.7176.2-86.321.7000113N350 N354 W355 E356N350-N352 PolarHBondContact O-N 2.93Å; N350-N352 VanDerWaalsContact O-N 3.07Å; N352-N354 PolarHBondContact O-N 3Å; N352-W355 PolarHBondContact O-N 3.45Å; N352-E356 WeakPolarHBondContact O-CG 3.32Å; N352-E356 PolarHBondContact O-N 2.83Å
353C61Low59.9Low39 Ų3971.1 Ų71.126%0.26441%0.407SS..Hα-helixtrans-71.4-31.4-176.965.10000112.3N350 W355 E356 V357N350-C353 VanDerWaalsContact CA-SG 3.58Å; N350-C353 WeakPolarHBondContact CB-SG 3.43Å; N350-C353 PolarHBondContact ND2-SG 2.73Å; N350-C353 PolarHBondContact O-N 3.39Å; N350-C353 VanDerWaalsContact O-N 3.13Å; N350-C353 PolarHBondContact O-SG 3.1Å; N350-C353 PolarHBondContact OD1-SG 2.97Å; N350-C353 VanDerWaalsContact OD1-SG 3.37Å; C353-W355 VanDerWaalsContact C-N 3.33Å; C353-W355 PolarHBondContact O-N 2.93Å; C353-E356 WeakPolarHBondContact CA-OE2 3.3Å; C353-E356 PolarHBondContact O-N 2.73Å; C353-V357 WeakPolarHBondContact O-CB 3.49Å; C353-V357 WeakPolarHBondContact O-CG2 3.41Å; C353-V357 PolarHBondContact O-N 3.19Å
354N76.6Confident61.8Low23 Ų2374 Ų7412%0.12342%0.422CS..Hα-helixtrans-62.5-41.4173.7-79.45000111.5E345 N350 N352 V357 L358 F374 L381E345-N354 PolarHBondContact OE1-ND2 3.46Å; N350-N354 PolarHBondContact O-N 3.44Å; N352-N354 PolarHBondContact O-N 3Å; N354-V357 PolarHBondContact O-N 3.01Å; N354-L358 PolarHBondContact O-N 3.18Å; N354-F374 HydrophobicContact CB-CE2 4.46Å; N354-F374 HydrophobicContact CB-CZ 3.87Å; N354-L381 HydrophobicContact CB-CB 4.17Å; N354-L381 WeakPolarHBondContact O-CD1 3.21Å
355W81.4Confident64Low51 Ų5168.3 Ų68.319%0.19339%0.391CS..Hα-helixtrans-64.6-45.6175.2165.7-110.8000112.3N352 C353 V357 L358 R359 E367 L370 V371 F374N352-W355 PolarHBondContact O-N 3.45Å; C353-W355 VanDerWaalsContact C-N 3.33Å; C353-W355 PolarHBondContact O-N 2.93Å; W355-V357 VanDerWaalsContact C-N 3.28Å; W355-V357 PolarHBondContact O-N 3.41Å; W355-L358 HydrophobicContact CE3-CD2 4.44Å; W355-L358 HydrophobicContact CZ3-CD2 4.42Å; W355-L358 PolarHBondContact O-N 3.25Å; W355-R359 WeakPolarHBondContact O-CB 3.25Å; W355-R359 PolarHBondContact O-N 3.31Å; W355-E367 HydrophobicContact CH2-CG 3.92Å; W355-E367 HydrophobicContact CZ2-CG 3.68Å; W355-E367 WeakPolarHBondContact CZ2-OE1 3.38Å; W355-L370 HydrophobicContact CH2-CB 3.89Å; W355-L370 HydrophobicContact CZ3-CB 3.87Å; W355-V371 HydrophobicContact CH2-CB 4.38Å; W355-V371 HydrophobicContact CH2-CG2 3.33Å; W355-V371 HydrophobicContact CZ2-CG2 3.86Å; W355-V371 HydrophobicContact CZ3-CB 4.45Å; W355-V371 HydrophobicContact CZ3-CG2 3.72Å; W355-F374 HydrophobicContact CB-CE1 4.05Å; W355-F374 AromaticContact CE3-CD1 3.99Å; W355-F374 HydrophobicContact CE3-CD1 3.99Å; W355-F374 HydrophobicContact CE3-CG 4.46Å
356E81.3Confident66Low109 Ų10971.3 Ų71.351%0.50941%0.407SS..Hα-helixtrans-61.8-38.7178.6-71.5145.9-166.300111.4N352 C353 S360N352-E356 WeakPolarHBondContact O-CG 3.32Å; N352-E356 PolarHBondContact O-N 2.83Å; C353-E356 WeakPolarHBondContact CA-OE2 3.3Å; C353-E356 PolarHBondContact O-N 2.73Å; E356-S360 WeakPolarHBondContact O-CB 3.18Å; E356-S360 PolarHBondContact O-N 3.4Å
357V80.6Confident68.1Low35 Ų3571.5 Ų71.521%0.21240%0.398CS..Hα-helixtrans-65.1-48.5174172.90000111C353 N354 W355 R359 S360 C361 L381 L400C353-V357 WeakPolarHBondContact O-CB 3.49Å; C353-V357 WeakPolarHBondContact O-CG2 3.41Å; C353-V357 PolarHBondContact O-N 3.19Å; N354-V357 PolarHBondContact O-N 3.01Å; W355-V357 VanDerWaalsContact C-N 3.28Å; W355-V357 PolarHBondContact O-N 3.41Å; V357-R359 VanDerWaalsContact C-N 3.34Å; V357-R359 PolarHBondContact O-N 2.96Å; V357-S360 WeakPolarHBondContact O-CB 3.3Å; V357-S360 PolarHBondContact O-N 3.27Å; V357-S360 VanDerWaalsContact O-N 3.08Å; V357-S360 PolarHBondContact O-OG 3.36Å; V357-C361 PolarHBondContact O-N 3.3Å; V357-C361 PolarHBondContact O-SG 3.41Å; V357-C361 VanDerWaalsContact O-SG 3.41Å; V357-L381 HydrophobicContact CB-CD1 4.37Å; V357-L381 HydrophobicContact CB-CD2 3.99Å; V357-L381 HydrophobicContact CG1-CD1 4.1Å; V357-L381 HydrophobicContact CG1-CD2 3.63Å; V357-L381 HydrophobicContact CG1-CG 4.47Å; V357-L400 HydrophobicContact CG1-CD1 4.22Å; V357-L400 HydrophobicContact CG1-CD2 3.57Å; V357-L400 HydrophobicContact CG1-CG 4.34Å; V357-L400 HydrophobicContact CG2-CD2 4.49Å
358L82.6Confident70.3Confident0 Ų069.5 Ų69.50%039%0.393CS..Hα-helixtrans-57.9-46.4178.1-173.369.6000111.8N354 W355 S360 C361 F362 L370 F374 L381 A384 I385 L388N354-L358 PolarHBondContact O-N 3.18Å; W355-L358 HydrophobicContact CE3-CD2 4.44Å; W355-L358 HydrophobicContact CZ3-CD2 4.42Å; W355-L358 PolarHBondContact O-N 3.25Å; L358-S360 VanDerWaalsContact C-N 3.29Å; L358-S360 PolarHBondContact O-N 3.2Å; L358-C361 PolarHBondContact O-N 3.48Å; L358-F362 HydrophobicContact CD1-CD2 4.18Å; L358-F362 HydrophobicContact CD1-CE2 4.35Å; L358-F362 PolarHBondContact O-N 3.13Å; L358-F362 VanDerWaalsContact O-N 3.11Å; L358-L370 HydrophobicContact CG-CD2 4.47Å; L358-F374 HydrophobicContact CD2-CB 3.63Å; L358-F374 HydrophobicContact CD2-CD2 3.69Å; L358-F374 HydrophobicContact CD2-CG 3.78Å; L358-L381 HydrophobicContact CB-CD1 3.73Å; L358-L381 HydrophobicContact CD1-CD1 4.07Å; L358-L381 HydrophobicContact CG-CD1 4.49Å; L358-A384 HydrophobicContact CD1-CB 3.88Å; L358-A384 HydrophobicContact CD2-CB 3.96Å; L358-I385 HydrophobicContact CD1-CG1 3.84Å; L358-L388 HydrophobicContact CD1-CD1 3.85Å
359R84.1Confident72.4Confident125 Ų12569.1 Ų69.147%0.47238%0.378SS..Hα-helixtrans-61.5-36.8176.1-179.1-179.2159.2127.78112W355 V357 E367W355-R359 WeakPolarHBondContact O-CB 3.25Å; W355-R359 PolarHBondContact O-N 3.31Å; V357-R359 VanDerWaalsContact C-N 3.34Å; V357-R359 PolarHBondContact O-N 2.96Å; R359-E367 IonicContact CZ-OE1 3.93Å; R359-E367 IonicContact CZ-OE2 3.94Å; R359-E367 IonicContact NH1-OE1 2.72Å; R359-E367 PolarHBondContact NH1-OE1 2.85Å; R359-E367 IonicContact NH1-OE2 2.84Å; R359-E367 PolarHBondContact NH1-OE2 3.32Å
360S81.4Confident74.6Confident65 Ų6563 Ų6346%0.45534%0.34SS..Hα-helixtrans-70.9-33.9176.681.20000112.9E356 V357 L358E356-S360 WeakPolarHBondContact O-CB 3.18Å; E356-S360 PolarHBondContact O-N 3.4Å; V357-S360 WeakPolarHBondContact O-CB 3.3Å; V357-S360 PolarHBondContact O-N 3.27Å; V357-S360 VanDerWaalsContact O-N 3.08Å; V357-S360 PolarHBondContact O-OG 3.36Å; L358-S360 VanDerWaalsContact C-N 3.29Å; L358-S360 PolarHBondContact O-N 3.2Å
361C80.8Confident76.4Confident1 Ų161.7 Ų61.71%0.00734%0.335CS..Hα-helixtrans-72.4-32.3178.3-74.80000112.4V357 L358 W397 R398V357-C361 PolarHBondContact O-N 3.3Å; V357-C361 PolarHBondContact O-SG 3.41Å; V357-C361 VanDerWaalsContact O-SG 3.41Å; L358-C361 PolarHBondContact O-N 3.48Å; C361-W397 CarbonylContact O-C 3.59Å; C361-W397 VanDerWaalsContact O-CA 3.24Å; C361-W397 WeakPolarHBondContact O-CA 3.28Å; C361-R398 PolarHBondContact O-N 3.49Å
362F81.9Confident78Confident0 Ų065.6 Ų65.60%034%0.342CS..  trans-128.664-176.6-63.2-84.5000113.1L358 T364 I365 L370 I385 L388 L389 N396 W397L358-F362 HydrophobicContact CD1-CD2 4.18Å; L358-F362 HydrophobicContact CD1-CE2 4.35Å; L358-F362 PolarHBondContact O-N 3.13Å; L358-F362 VanDerWaalsContact O-N 3.11Å; F362-T364 PolarHBondContact O-N 3.36Å; F362-I365 HydrophobicContact CB-CB 4.48Å; F362-I365 HydrophobicContact CB-CD1 3.84Å; F362-I365 HydrophobicContact CB-CG1 4.09Å; F362-I365 HydrophobicContact CD1-CD1 3.85Å; F362-I365 HydrophobicContact CG-CD1 4.06Å; F362-I365 PolarHBondContact O-N 3.14Å; F362-L370 HydrophobicContact CB-CD1 4.43Å; F362-L370 HydrophobicContact CB-CD2 4.07Å; F362-I385 HydrophobicContact CE2-CB 4.42Å; F362-I385 HydrophobicContact CE2-CG1 4.13Å; F362-I385 HydrophobicContact CE2-CG2 4.32Å; F362-I385 HydrophobicContact CZ-CG2 4.42Å; F362-L388 HydrophobicContact CD1-CB 4.4Å; F362-L388 HydrophobicContact CD1-CD1 4.33Å; F362-L388 HydrophobicContact CD2-CB 4.5Å; F362-L388 HydrophobicContact CD2-CD1 3.43Å; F362-L388 VanDerWaalsContact CD2-CD1 3.43Å; F362-L388 HydrophobicContact CE1-CB 3.86Å; F362-L388 HydrophobicContact CE1-CD1 4.44Å; F362-L388 HydrophobicContact CE2-CB 3.97Å; F362-L388 HydrophobicContact CE2-CD1 3.56Å; F362-L388 HydrophobicContact CE2-CG 4.42Å; F362-L388 HydrophobicContact CG-CD1 3.85Å; F362-L388 HydrophobicContact CZ-CB 3.61Å; F362-L388 HydrophobicContact CZ-CD1 4.07Å; F362-L388 HydrophobicContact CZ-CG 4.5Å; F362-L389 HydrophobicContact CE1-CD2 4.23Å; F362-L389 HydrophobicContact CZ-CD2 4.01Å; F362-L389 HydrophobicContact CZ-CG 4.18Å; F362-N396 HydrophobicContact CD1-CB 4.21Å; F362-W397 HydrophobicContact CE1-CB 3.98Å; F362-W397 HydrophobicContact CZ-CB 4.34Å; F362-W397 AromaticContact CZ-CD1 3.88Å; F362-W397 HydrophobicContact CZ-CG 4.41Å
363P79.3Confident79.1Confident72 Ų7261.5 Ų61.547%0.46832%0.32SS..THydrogen-bonded Turntrans-67.8-11.6-172.328-35.9000114.8
364T75.1Confident80.2Confident91 Ų9160 Ų6056%0.55831%0.309SS*.THydrogen-bonded Turntrans-99.5-6.1-177.147.80000113.6F362 N396F362-T364 PolarHBondContact O-N 3.36Å; T364-N396 WeakPolarHBondContact OG1-CB 3.47Å; T364-N396 PolarHBondContact OG1-ND2 3.22Å; T364-N396 VanDerWaalsContact OG1-ND2 3.12Å; T364-N396 PolarHBondContact OG1-OD1 3.29Å
365I78.8Confident80.4Confident16 Ų1663.9 Ų63.98%0.08233%0.326CS..SBendtrans-89.3138.8175-55.4-176.6000108.4F362 D369 L370 L388 Y393F362-I365 HydrophobicContact CB-CB 4.48Å; F362-I365 HydrophobicContact CB-CD1 3.84Å; F362-I365 HydrophobicContact CB-CG1 4.09Å; F362-I365 HydrophobicContact CD1-CD1 3.85Å; F362-I365 HydrophobicContact CG-CD1 4.06Å; F362-I365 PolarHBondContact O-N 3.14Å; I365-D369 HydrophobicContact CG2-CB 4.05Å; I365-L370 HydrophobicContact CB-CD1 4.12Å; I365-L370 HydrophobicContact CB-CD2 3.93Å; I365-L370 HydrophobicContact CB-CG 3.8Å; I365-L370 HydrophobicContact CD1-CD2 4.14Å; I365-L370 HydrophobicContact CG2-CD2 3.86Å; I365-L370 HydrophobicContact CG2-CG 3.68Å; I365-L388 HydrophobicContact CD1-CD1 4.43Å; I365-L388 HydrophobicContact CD1-CD2 3.56Å; I365-L388 HydrophobicContact CD1-CG 4.49Å; I365-Y393 HydrophobicContact CD1-CD1 3.74Å; I365-Y393 HydrophobicContact CD1-CD2 4Å; I365-Y393 HydrophobicContact CD1-CE1 4.08Å; I365-Y393 HydrophobicContact CD1-CE2 4.35Å; I365-Y393 HydrophobicContact CD1-CG 3.67Å; I365-Y393 HydrophobicContact CG1-CD1 4.09Å; I365-Y393 HydrophobicContact CG1-CE1 4.21Å
366M79.3Confident80.1Confident141 Ų14165 Ų6570%0.69534%0.341SS*.  trans-58.3140.1178.4-70.5-64.5-163.500110.6D368 D369 L370M366-D368 VanDerWaalsContact C-N 3.28Å; M366-D368 PolarHBondContact O-N 3.27Å; M366-D369 HydrophobicContact CB-CB 4.4Å; M366-D369 PolarHBondContact O-N 2.67Å; M366-D369 VanDerWaalsContact O-N 3.09Å; M366-L370 PolarHBondContact O-N 3.26Å
367E80.8Confident79.7Confident91 Ų9160 Ų6043%0.42532%0.319SS..Hα-helixtrans-58.6-41.6-176.6-168.2159.3-164.600111.5W355 R359 D369 L370 V371W355-E367 HydrophobicContact CH2-CG 3.92Å; W355-E367 HydrophobicContact CZ2-CG 3.68Å; W355-E367 WeakPolarHBondContact CZ2-OE1 3.38Å; R359-E367 IonicContact CZ-OE1 3.93Å; R359-E367 IonicContact CZ-OE2 3.94Å; R359-E367 IonicContact NH1-OE1 2.72Å; R359-E367 PolarHBondContact NH1-OE1 2.85Å; R359-E367 IonicContact NH1-OE2 2.84Å; R359-E367 PolarHBondContact NH1-OE2 3.32Å; E367-D369 VanDerWaalsContact C-N 3.32Å; E367-D369 PolarHBondContact O-N 2.81Å; E367-L370 PolarHBondContact O-N 2.91Å; E367-V371 VanDerWaalsContact O-CG2 3.28Å; E367-V371 WeakPolarHBondContact O-CG2 3.46Å; E367-V371 PolarHBondContact O-N 3.15Å
368D77.6Confident79.5Confident135 Ų13561.3 Ų61.372%0.72234%0.34SS*.Hα-helixtrans-60.5-39177-64-27.8000112.9M366 H372M366-D368 VanDerWaalsContact C-N 3.28Å; M366-D368 PolarHBondContact O-N 3.27Å; D368-H372 WeakPolarHBondContact O-CB 3.26Å; D368-H372 PolarHBondContact O-N 2.93Å
369D75.7Confident79.3Confident89 Ų8967.6 Ų67.648%0.47636%0.363SS..Hα-helixtrans-72-41.4178.7-68.6-31.3000110.8I365 M366 E367 H372 I373I365-D369 HydrophobicContact CG2-CB 4.05Å; M366-D369 HydrophobicContact CB-CB 4.4Å; M366-D369 PolarHBondContact O-N 2.67Å; M366-D369 VanDerWaalsContact O-N 3.09Å; E367-D369 VanDerWaalsContact C-N 3.32Å; E367-D369 PolarHBondContact O-N 2.81Å; D369-H372 PolarHBondContact O-N 3.35Å; D369-I373 WeakPolarHBondContact O-CB 3.39Å; D369-I373 VanDerWaalsContact O-CG1 3.22Å; D369-I373 WeakPolarHBondContact O-CG1 3.32Å; D369-I373 PolarHBondContact O-N 3.13Å
370L83Confident79Confident3 Ų363.1 Ų63.12%0.01635%0.348CS..Hα-helixtrans-63.3-42.5174.2-75.5176.6000111.8W355 L358 F362 I365 M366 E367 I373 F374 L388W355-L370 HydrophobicContact CH2-CB 3.89Å; W355-L370 HydrophobicContact CZ3-CB 3.87Å; L358-L370 HydrophobicContact CG-CD2 4.47Å; F362-L370 HydrophobicContact CB-CD1 4.43Å; F362-L370 HydrophobicContact CB-CD2 4.07Å; I365-L370 HydrophobicContact CB-CD1 4.12Å; I365-L370 HydrophobicContact CB-CD2 3.93Å; I365-L370 HydrophobicContact CB-CG 3.8Å; I365-L370 HydrophobicContact CD1-CD2 4.14Å; I365-L370 HydrophobicContact CG2-CD2 3.86Å; I365-L370 HydrophobicContact CG2-CG 3.68Å; M366-L370 PolarHBondContact O-N 3.26Å; E367-L370 PolarHBondContact O-N 2.91Å; L370-I373 PolarHBondContact O-N 2.99Å; L370-F374 WeakPolarHBondContact O-CB 3.43Å; L370-F374 PolarHBondContact O-N 3.43Å; L370-L388 HydrophobicContact CD2-CD1 3.52Å; L370-L388 HydrophobicContact CD2-CD2 4.24Å
371V84.3Confident78.8Confident49 Ų4960.7 Ų60.730%0.29733%0.331SS..Hα-helixtrans-60.8-49.9175.3171.10000109.7W355 E367 I373 F374 E375W355-V371 HydrophobicContact CH2-CB 4.38Å; W355-V371 HydrophobicContact CH2-CG2 3.33Å; W355-V371 HydrophobicContact CZ2-CG2 3.86Å; W355-V371 HydrophobicContact CZ3-CB 4.45Å; W355-V371 HydrophobicContact CZ3-CG2 3.72Å; E367-V371 VanDerWaalsContact O-CG2 3.28Å; E367-V371 WeakPolarHBondContact O-CG2 3.46Å; E367-V371 PolarHBondContact O-N 3.15Å; V371-I373 VanDerWaalsContact C-N 3.31Å; V371-I373 PolarHBondContact O-N 2.69Å; V371-F374 PolarHBondContact O-N 3.49Å; V371-E375 HydrophobicContact CG1-CG 4.22Å; V371-E375 WeakPolarHBondContact O-CB 3.23Å; V371-E375 WeakPolarHBondContact O-CG 3.37Å; V371-E375 PolarHBondContact O-N 3.3Å
372H78Confident78.3Confident124 Ų12464.6 Ų64.657%0.57435%0.348SS*.Hα-helixtrans-59.1-42.5179.8180-82.7000111.9D368 D369 S376D368-H372 WeakPolarHBondContact O-CB 3.26Å; D368-H372 PolarHBondContact O-N 2.93Å; D369-H372 PolarHBondContact O-N 3.35Å; H372-S376 PolarHBondContact CE1-OG 3.26Å; H372-S376 WeakPolarHBondContact O-CB 3.42Å; H372-S376 PolarHBondContact O-N 3.14Å; H372-S376 PolarHBondContact O-OG 3.4Å
373I77.4Confident77.9Confident33 Ų3370.6 Ų70.617%0.16937%0.371CS..Hα-helixtrans-67.2-46.7177.5-68.4167.1000110.5D369 L370 V371 E375 S376 C377 A384 V387 L388D369-I373 WeakPolarHBondContact O-CB 3.39Å; D369-I373 VanDerWaalsContact O-CG1 3.22Å; D369-I373 WeakPolarHBondContact O-CG1 3.32Å; D369-I373 PolarHBondContact O-N 3.13Å; L370-I373 PolarHBondContact O-N 2.99Å; V371-I373 VanDerWaalsContact C-N 3.31Å; V371-I373 PolarHBondContact O-N 2.69Å; I373-E375 PolarHBondContact O-N 3.29Å; I373-S376 CarbonylContact O-C 3.58Å; I373-S376 PolarHBondContact O-N 2.88Å; I373-C377 WeakPolarHBondContact O-CB 3.44Å; I373-C377 PolarHBondContact O-N 3.12Å; I373-C377 PolarHBondContact O-SG 3.14Å; I373-A384 HydrophobicContact CG2-CB 4.47Å; I373-V387 HydrophobicContact CG2-CB 4.44Å; I373-V387 HydrophobicContact CG2-CG1 4.01Å; I373-L388 HydrophobicContact CD1-CD2 3.5Å; I373-L388 VanDerWaalsContact CD1-CD2 3.5Å; I373-L388 HydrophobicContact CD1-CG 4.46Å; I373-L388 HydrophobicContact CG2-CD2 4.42Å; I373-L388 HydrophobicContact CG2-CG 4.28Å
374F84.8Confident77.8Confident7 Ų767.1 Ų67.13%0.03135%0.349CS..Hα-helixtrans-62.3-42.5-179.9-171.2-128.1000112.2N354 W355 L358 L370 V371 C377 G378 R379 A384N354-F374 HydrophobicContact CB-CE2 4.46Å; N354-F374 HydrophobicContact CB-CZ 3.87Å; W355-F374 HydrophobicContact CB-CE1 4.05Å; W355-F374 AromaticContact CE3-CD1 3.99Å; W355-F374 HydrophobicContact CE3-CD1 3.99Å; W355-F374 HydrophobicContact CE3-CG 4.46Å; L358-F374 HydrophobicContact CD2-CB 3.63Å; L358-F374 HydrophobicContact CD2-CD2 3.69Å; L358-F374 HydrophobicContact CD2-CG 3.78Å; L370-F374 WeakPolarHBondContact O-CB 3.43Å; L370-F374 PolarHBondContact O-N 3.43Å; V371-F374 PolarHBondContact O-N 3.49Å; F374-C377 CarbonylContact O-C 3.45Å; F374-C377 PolarHBondContact O-N 2.85Å; F374-G378 PolarHBondContact O-N 3.44Å; F374-R379 HydrophobicContact CD1-CB 4.41Å; F374-R379 HydrophobicContact CD1-CG 4.2Å; F374-R379 HydrophobicContact CE1-CB 3.82Å; F374-R379 HydrophobicContact CE1-CG 3.92Å; F374-R379 HydrophobicContact CE2-CB 4.22Å; F374-R379 WeakPolarHBondContact CE2-O 3.26Å; F374-R379 HydrophobicContact CZ-CB 3.71Å; F374-R379 HydrophobicContact CZ-CG 4.34Å; F374-R379 WeakPolarHBondContact CZ-O 3.44Å; F374-R379 WeakPolarHBondContact O-CA 3.42Å; F374-R379 PolarHBondContact O-N 2.87Å; F374-A384 HydrophobicContact CD2-CB 3.84Å
375E81.3Confident77.9Confident105 Ų10563.4 Ų63.449%0.49133%0.326SS..Hα-helixtrans-68.3-39.4174.6-68.9-165147.600112.3V371 I373 C377 G378 R379V371-E375 HydrophobicContact CG1-CG 4.22Å; V371-E375 WeakPolarHBondContact O-CB 3.23Å; V371-E375 WeakPolarHBondContact O-CG 3.37Å; V371-E375 PolarHBondContact O-N 3.3Å; I373-E375 PolarHBondContact O-N 3.29Å; E375-C377 PolarHBondContact O-N 2.75Å; E375-G378 PolarHBondContact O-N 3.35Å; E375-R379 IonicContact OE1-NH2 3.72Å; E375-R379 PolarHBondContact OE1-NH2 3.45Å; E375-R379 VanDerWaalsContact OE1-NH2 3.09Å
376S73.5Confident77.3Confident73 Ų7365.5 Ų65.551%0.5134%0.337SS..Hα-helixtrans-63.6-28.1173.4-61.80000112.3H372 I373 G378H372-S376 PolarHBondContact CE1-OG 3.26Å; H372-S376 WeakPolarHBondContact O-CB 3.42Å; H372-S376 PolarHBondContact O-N 3.14Å; H372-S376 PolarHBondContact O-OG 3.4Å; I373-S376 CarbonylContact O-C 3.58Å; I373-S376 PolarHBondContact O-N 2.88Å; S376-G378 VanDerWaalsContact C-N 3.27Å
377C74Confident76.9Confident5 Ų561 Ų613%0.03432%0.317CS..THydrogen-bonded Turntrans-87.213.2173.8-61.40000112.8I373 F374 E375 R379 D380 W383 A384I373-C377 WeakPolarHBondContact O-CB 3.44Å; I373-C377 PolarHBondContact O-N 3.12Å; I373-C377 PolarHBondContact O-SG 3.14Å; F374-C377 CarbonylContact O-C 3.45Å; F374-C377 PolarHBondContact O-N 2.85Å; E375-C377 PolarHBondContact O-N 2.75Å; C377-R379 PolarHBondContact O-N 3.02Å; C377-D380 WeakPolarHBondContact O-CB 3.19Å; C377-D380 PolarHBondContact O-N 3.29Å; C377-D380 VanDerWaalsContact O-N 3.13Å; C377-W383 VanDerWaalsContact C-CE3 3.47Å; C377-W383 VanDerWaalsContact CA-CE3 3.41Å; C377-W383 HydrophobicContact CB-CB 4.15Å; C377-W383 HydrophobicContact CB-CD2 3.88Å; C377-W383 HydrophobicContact CB-CE3 3.76Å; C377-W383 HydrophobicContact CB-CG 4.09Å; C377-W383 HydrophobicContact CB-CZ3 4.37Å; C377-A384 HydrophobicContact CB-CB 4.12Å
378G75.8Confident76.5Confident63 Ų6356.6 Ų56.665%0.64930%0.297SS*.THydrogen-bonded Turntrans65.223.317800000114.5F374 E375 S376 D380F374-G378 PolarHBondContact O-N 3.44Å; E375-G378 PolarHBondContact O-N 3.35Å; S376-G378 VanDerWaalsContact C-N 3.27Å; G378-D380 PolarHBondContact O-N 3.49Å
379R78.8Confident76.2Confident131 Ų13151.9 Ų51.949%0.49427%0.271SS..THydrogen-bonded Turntrans64.418.6-173.6-55.8177.5175.9-120.3-9.1114.5F374 E375 C377 L381F374-R379 HydrophobicContact CD1-CB 4.41Å; F374-R379 HydrophobicContact CD1-CG 4.2Å; F374-R379 HydrophobicContact CE1-CB 3.82Å; F374-R379 HydrophobicContact CE1-CG 3.92Å; F374-R379 HydrophobicContact CE2-CB 4.22Å; F374-R379 WeakPolarHBondContact CE2-O 3.26Å; F374-R379 HydrophobicContact CZ-CB 3.71Å; F374-R379 HydrophobicContact CZ-CG 4.34Å; F374-R379 WeakPolarHBondContact CZ-O 3.44Å; F374-R379 WeakPolarHBondContact O-CA 3.42Å; F374-R379 PolarHBondContact O-N 2.87Å; E375-R379 IonicContact OE1-NH2 3.72Å; E375-R379 PolarHBondContact OE1-NH2 3.45Å; E375-R379 VanDerWaalsContact OE1-NH2 3.09Å; C377-R379 PolarHBondContact O-N 3.02Å; R379-L381 PolarHBondContact O-N 3.24Å
380D77Confident75.5Confident31 Ų3151.7 Ų51.717%0.16627%0.27CS..  trans-77.5112.2169.6-175.6-37.8000109.1R107 C377 G378 Q382 W383 A384R107-D380 IonicContact NH1-OD2 3.66Å; R107-D380 PolarHBondContact NH1-OD2 3.35Å; C377-D380 WeakPolarHBondContact O-CB 3.19Å; C377-D380 PolarHBondContact O-N 3.29Å; C377-D380 VanDerWaalsContact O-N 3.13Å; G378-D380 PolarHBondContact O-N 3.49Å; D380-Q382 VanDerWaalsContact C-N 3.35Å; D380-Q382 PolarHBondContact O-N 3.42Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.4Å; D380-Q382 PolarHBondContact OD1-N 3.36Å; D380-W383 HydrophobicContact CB-CB 3.83Å; D380-W383 PolarHBondContact O-N 2.91Å; D380-W383 PolarHBondContact OD1-N 3.19Å; D380-A384 WeakPolarHBondContact O-CB 3.34Å; D380-A384 PolarHBondContact O-N 2.81Å
381L77.8Confident74.5Confident15 Ų1554 Ų548%0.07929%0.286CS..Hα-helixtrans-60.5-44.6-178.7172.261.1000111.5N354 V357 L358 R379 A384 I385N354-L381 HydrophobicContact CB-CB 4.17Å; N354-L381 WeakPolarHBondContact O-CD1 3.21Å; V357-L381 HydrophobicContact CB-CD1 4.37Å; V357-L381 HydrophobicContact CB-CD2 3.99Å; V357-L381 HydrophobicContact CG1-CD1 4.1Å; V357-L381 HydrophobicContact CG1-CD2 3.63Å; V357-L381 HydrophobicContact CG1-CG 4.47Å; L358-L381 HydrophobicContact CB-CD1 3.73Å; L358-L381 HydrophobicContact CD1-CD1 4.07Å; L358-L381 HydrophobicContact CG-CD1 4.49Å; R379-L381 PolarHBondContact O-N 3.24Å; L381-A384 PolarHBondContact O-N 3.29Å; L381-I385 HydrophobicContact CD1-CD1 3.69Å; L381-I385 HydrophobicContact CD1-CG1 4.03Å; L381-I385 HydrophobicContact CG-CD1 3.8Å; L381-I385 HydrophobicContact CG-CG1 4.49Å; L381-I385 WeakPolarHBondContact O-CB 3.37Å; L381-I385 VanDerWaalsContact O-CG1 3.23Å; L381-I385 WeakPolarHBondContact O-CG1 3.29Å; L381-I385 PolarHBondContact O-N 3.15Å
382Q71Confident73.1Confident82 Ų8253 Ų5338%0.38329%0.287SS..Hα-helixtrans-67.4-41.4-177.7-74.2-67.2-26.100110.6A343 D380 I385 N386A343-Q382 HydrophobicContact CB-CG 4.47Å; D380-Q382 VanDerWaalsContact C-N 3.35Å; D380-Q382 PolarHBondContact O-N 3.42Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.4Å; D380-Q382 PolarHBondContact OD1-N 3.36Å; Q382-I385 PolarHBondContact O-N 2.97Å; Q382-N386 WeakPolarHBondContact O-CB 3.34Å; Q382-N386 PolarHBondContact O-N 3.24Å; Q382-N386 PolarHBondContact O-ND2 2.96Å; Q382-N386 VanDerWaalsContact O-ND2 3.12Å
383W72.5Confident72.3Confident126 Ų12651.5 Ų51.548%0.47728%0.277SS..Hα-helixtrans-65.5-42.8176.7-168.417.2000111.6C377 D380 N386 V387C377-W383 VanDerWaalsContact C-CE3 3.47Å; C377-W383 VanDerWaalsContact CA-CE3 3.41Å; C377-W383 HydrophobicContact CB-CB 4.15Å; C377-W383 HydrophobicContact CB-CD2 3.88Å; C377-W383 HydrophobicContact CB-CE3 3.76Å; C377-W383 HydrophobicContact CB-CG 4.09Å; C377-W383 HydrophobicContact CB-CZ3 4.37Å; D380-W383 HydrophobicContact CB-CB 3.83Å; D380-W383 PolarHBondContact O-N 2.91Å; D380-W383 PolarHBondContact OD1-N 3.19Å; W383-N386 PolarHBondContact O-N 3.1Å; W383-V387 WeakPolarHBondContact O-CB 3.5Å; W383-V387 VanDerWaalsContact O-CG2 3.29Å; W383-V387 WeakPolarHBondContact O-CG2 3.49Å; W383-V387 PolarHBondContact O-N 3.33Å
384A77.7Confident71.3Confident0 Ų056 Ų560%030%0.297CS..Hα-helixtrans-62.8-43.7175.800000112.7L358 I373 F374 C377 D380 L381 N386 V387 L388L358-A384 HydrophobicContact CD1-CB 3.88Å; L358-A384 HydrophobicContact CD2-CB 3.96Å; I373-A384 HydrophobicContact CG2-CB 4.47Å; F374-A384 HydrophobicContact CD2-CB 3.84Å; C377-A384 HydrophobicContact CB-CB 4.12Å; D380-A384 WeakPolarHBondContact O-CB 3.34Å; D380-A384 PolarHBondContact O-N 2.81Å; L381-A384 PolarHBondContact O-N 3.29Å; A384-N386 VanDerWaalsContact C-N 3.35Å; A384-N386 PolarHBondContact O-N 3.01Å; A384-V387 PolarHBondContact O-N 3.39Å; A384-L388 WeakPolarHBondContact O-CB 3.39Å; A384-L388 VanDerWaalsContact O-CG 3.24Å; A384-L388 WeakPolarHBondContact O-CG 3.27Å; A384-L388 PolarHBondContact O-N 3.14Å
385I76.8Confident69.6Low13 Ų1365.5 Ų65.57%0.06733%0.334CS..Hα-helixtrans-59-47.5174-69.5167.5000110.1L358 F362 L381 Q382 V387 L388 L389L358-I385 HydrophobicContact CD1-CG1 3.84Å; F362-I385 HydrophobicContact CE2-CB 4.42Å; F362-I385 HydrophobicContact CE2-CG1 4.13Å; F362-I385 HydrophobicContact CE2-CG2 4.32Å; F362-I385 HydrophobicContact CZ-CG2 4.42Å; L381-I385 HydrophobicContact CD1-CD1 3.69Å; L381-I385 HydrophobicContact CD1-CG1 4.03Å; L381-I385 HydrophobicContact CG-CD1 3.8Å; L381-I385 HydrophobicContact CG-CG1 4.49Å; L381-I385 WeakPolarHBondContact O-CB 3.37Å; L381-I385 VanDerWaalsContact O-CG1 3.23Å; L381-I385 WeakPolarHBondContact O-CG1 3.29Å; L381-I385 PolarHBondContact O-N 3.15Å; Q382-I385 PolarHBondContact O-N 2.97Å; I385-V387 PolarHBondContact O-N 3.28Å; I385-L388 PolarHBondContact O-N 3.13Å; I385-L389 HydrophobicContact CG2-CD1 3.72Å; I385-L389 HydrophobicContact CG2-CG 4.16Å; I385-L389 VanDerWaalsContact O-CG 3.29Å; I385-L389 WeakPolarHBondContact O-CG 3.48Å; I385-L389 PolarHBondContact O-N 2.95Å
386N66.1Low68.5Low59 Ų5962.9 Ų62.932%0.31632%0.323SS..Hα-helixtrans-64.9-41.5-178.7-72.9-30000112.3Q382 W383 A384 L388 L389 D390Q382-N386 WeakPolarHBondContact O-CB 3.34Å; Q382-N386 PolarHBondContact O-N 3.24Å; Q382-N386 PolarHBondContact O-ND2 2.96Å; Q382-N386 VanDerWaalsContact O-ND2 3.12Å; W383-N386 PolarHBondContact O-N 3.1Å; A384-N386 VanDerWaalsContact C-N 3.35Å; A384-N386 PolarHBondContact O-N 3.01Å; N386-L388 VanDerWaalsContact C-N 3.29Å; N386-L388 PolarHBondContact O-N 3.2Å; N386-L389 PolarHBondContact O-N 3.03Å; N386-D390 WeakPolarHBondContact O-CB 3.37Å; N386-D390 PolarHBondContact O-N 2.88Å
387V71Confident67.7Low46 Ų4664.4 Ų64.428%0.27932%0.318SS..Hα-helixtrans-60.7-41.1174.5168.90000110.9I373 W383 A384 I385 S391I373-V387 HydrophobicContact CG2-CB 4.44Å; I373-V387 HydrophobicContact CG2-CG1 4.01Å; W383-V387 WeakPolarHBondContact O-CB 3.5Å; W383-V387 VanDerWaalsContact O-CG2 3.29Å; W383-V387 WeakPolarHBondContact O-CG2 3.49Å; W383-V387 PolarHBondContact O-N 3.33Å; A384-V387 PolarHBondContact O-N 3.39Å; I385-V387 PolarHBondContact O-N 3.28Å; V387-S391 WeakPolarHBondContact O-CB 3.32Å; V387-S391 PolarHBondContact O-N 3.36Å; V387-S391 VanDerWaalsContact O-N 3.14Å; V387-S391 PolarHBondContact O-OG 2.87Å
388L72.8Confident67.2Low0 Ų072.2 Ų72.20%035%0.347CS..Hα-helixtrans-67.1-43.9176.6-71.9170.7000112.2L358 F362 I365 L370 I373 A384 I385 N386 S391 Y393L358-L388 HydrophobicContact CD1-CD1 3.85Å; F362-L388 HydrophobicContact CD1-CB 4.4Å; F362-L388 HydrophobicContact CD1-CD1 4.33Å; F362-L388 HydrophobicContact CD2-CB 4.5Å; F362-L388 HydrophobicContact CD2-CD1 3.43Å; F362-L388 VanDerWaalsContact CD2-CD1 3.43Å; F362-L388 HydrophobicContact CE1-CB 3.86Å; F362-L388 HydrophobicContact CE1-CD1 4.44Å; F362-L388 HydrophobicContact CE2-CB 3.97Å; F362-L388 HydrophobicContact CE2-CD1 3.56Å; F362-L388 HydrophobicContact CE2-CG 4.42Å; F362-L388 HydrophobicContact CG-CD1 3.85Å; F362-L388 HydrophobicContact CZ-CB 3.61Å; F362-L388 HydrophobicContact CZ-CD1 4.07Å; F362-L388 HydrophobicContact CZ-CG 4.5Å; I365-L388 HydrophobicContact CD1-CD1 4.43Å; I365-L388 HydrophobicContact CD1-CD2 3.56Å; I365-L388 HydrophobicContact CD1-CG 4.49Å; L370-L388 HydrophobicContact CD2-CD1 3.52Å; L370-L388 HydrophobicContact CD2-CD2 4.24Å; I373-L388 HydrophobicContact CD1-CD2 3.5Å; I373-L388 VanDerWaalsContact CD1-CD2 3.5Å; I373-L388 HydrophobicContact CD1-CG 4.46Å; I373-L388 HydrophobicContact CG2-CD2 4.42Å; I373-L388 HydrophobicContact CG2-CG 4.28Å; A384-L388 WeakPolarHBondContact O-CB 3.39Å; A384-L388 VanDerWaalsContact O-CG 3.24Å; A384-L388 WeakPolarHBondContact O-CG 3.27Å; A384-L388 PolarHBondContact O-N 3.14Å; I385-L388 PolarHBondContact O-N 3.13Å; N386-L388 VanDerWaalsContact C-N 3.29Å; N386-L388 PolarHBondContact O-N 3.2Å; L388-S391 PolarHBondContact O-N 3.2Å; L388-Y393 HydrophobicContact CD2-CD2 4.06Å; L388-Y393 HydrophobicContact CD2-CE2 4.41Å; L388-Y393 WeakPolarHBondContact O-CB 3.35Å; L388-Y393 WeakPolarHBondContact O-CD2 3.39Å; L388-Y393 PolarHBondContact O-N 3.22Å
389L70.4Confident66.1Low36 Ų3673.4 Ų73.419%0.18834%0.343CS..Hα-helixtrans-66.2-43.1177.9-67.5176.2000112.1F362 I385 N386 S391 G392 E394 W397F362-L389 HydrophobicContact CE1-CD2 4.23Å; F362-L389 HydrophobicContact CZ-CD2 4.01Å; F362-L389 HydrophobicContact CZ-CG 4.18Å; I385-L389 HydrophobicContact CG2-CD1 3.72Å; I385-L389 HydrophobicContact CG2-CG 4.16Å; I385-L389 VanDerWaalsContact O-CG 3.29Å; I385-L389 WeakPolarHBondContact O-CG 3.48Å; I385-L389 PolarHBondContact O-N 2.95Å; N386-L389 PolarHBondContact O-N 3.03Å; L389-S391 PolarHBondContact O-N 2.72Å; L389-G392 PolarHBondContact O-N 3Å; L389-G392 VanDerWaalsContact O-N 3.14Å; L389-E394 HydrophobicContact CD2-CG 4.31Å; L389-W397 HydrophobicContact CD2-CB 4.03Å; L389-W397 HydrophobicContact CD2-CD2 4.44Å; L389-W397 HydrophobicContact CD2-CG 4.07Å
390D60.9Low64.5Low85 Ų8571.6 Ų71.646%0.45534%0.342SS..Hα-helixtrans-66.3-22.6176.5-84.6-23.6000112.9R64 N386 G392R64-D390 IonicContact CZ-OD1 3.09Å; R64-D390 IonicContact NH2-OD1 3.26Å; R64-D390 PolarHBondContact NH2-OD1 3.46Å; N386-D390 WeakPolarHBondContact O-CB 3.37Å; N386-D390 PolarHBondContact O-N 2.88Å; D390-G392 VanDerWaalsContact C-N 3.25Å; D390-G392 PolarHBondContact O-N 3.15Å
391S63.4Low62.4Low50 Ų5075.2 Ų75.235%0.3537%0.369SS..THydrogen-bonded Turntrans-86.513.5175.3-54.90000113.4V387 L388 L389V387-S391 WeakPolarHBondContact O-CB 3.32Å; V387-S391 PolarHBondContact O-N 3.36Å; V387-S391 VanDerWaalsContact O-N 3.14Å; V387-S391 PolarHBondContact O-OG 2.87Å; L388-S391 PolarHBondContact O-N 3.2Å; L389-S391 PolarHBondContact O-N 2.72Å
392G54.4Low60Low30 Ų3079.5 Ų79.531%0.30940%0.398SS..THydrogen-bonded Turntrans83.89.3173.800000115.5L389 D390 E394L389-G392 PolarHBondContact O-N 3Å; L389-G392 VanDerWaalsContact O-N 3.14Å; D390-G392 VanDerWaalsContact C-N 3.25Å; D390-G392 PolarHBondContact O-N 3.15Å; G392-E394 PolarHBondContact O-N 3.24Å; G392-E394 VanDerWaalsContact O-N 3.17Å
393Y60.2Low58.1Low92 Ų9281.9 Ų81.936%0.36142%0.418SS..G310 helixtrans-81.421.4179.1-66.4-74.2000114.4I365 L388 Y395 N396I365-Y393 HydrophobicContact CD1-CD1 3.74Å; I365-Y393 HydrophobicContact CD1-CD2 4Å; I365-Y393 HydrophobicContact CD1-CE1 4.08Å; I365-Y393 HydrophobicContact CD1-CE2 4.35Å; I365-Y393 HydrophobicContact CD1-CG 3.67Å; I365-Y393 HydrophobicContact CG1-CD1 4.09Å; I365-Y393 HydrophobicContact CG1-CE1 4.21Å; L388-Y393 HydrophobicContact CD2-CD2 4.06Å; L388-Y393 HydrophobicContact CD2-CE2 4.41Å; L388-Y393 WeakPolarHBondContact O-CB 3.35Å; L388-Y393 WeakPolarHBondContact O-CD2 3.39Å; L388-Y393 PolarHBondContact O-N 3.22Å; Y393-Y395 PolarHBondContact O-N 2.94Å; Y393-Y395 VanDerWaalsContact O-N 3.17Å; Y393-N396 WeakPolarHBondContact CD1-ND2 3.35Å; Y393-N396 WeakPolarHBondContact O-CB 3.18Å; Y393-N396 PolarHBondContact O-N 3.4Å
394E58Low55.9Low126 Ų12680.1 Ų80.159%0.58943%0.43SS*.G310 helixtrans-55.4-34.2-179.5-65.6-173.8169.600113.3L389 G392 N396 W397L389-E394 HydrophobicContact CD2-CG 4.31Å; G392-E394 PolarHBondContact O-N 3.24Å; G392-E394 VanDerWaalsContact O-N 3.17Å; E394-N396 PolarHBondContact O-N 3Å; E394-W397 WeakPolarHBondContact O-CB 3.21Å; E394-W397 PolarHBondContact O-N 2.8Å
395Y48.1Very low53.4Low208 Ų20889.3 Ų89.382%0.81647%0.473SS*.G310 helixtrans-71.5-17.8179-63.4-74.3000114.2Y393Y393-Y395 PolarHBondContact O-N 2.94Å; Y393-Y395 VanDerWaalsContact O-N 3.17Å
396N59.5Low51.3Low49 Ų4995.5 Ų95.526%0.26251%0.511SS..G310 helixtrans-94.8-7.4-179.1-72-22.8000112.5F362 T364 Y393 E394F362-N396 HydrophobicContact CD1-CB 4.21Å; T364-N396 WeakPolarHBondContact OG1-CB 3.47Å; T364-N396 PolarHBondContact OG1-ND2 3.22Å; T364-N396 VanDerWaalsContact OG1-ND2 3.12Å; T364-N396 PolarHBondContact OG1-OD1 3.29Å; Y393-N396 WeakPolarHBondContact CD1-ND2 3.35Å; Y393-N396 WeakPolarHBondContact O-CB 3.18Å; Y393-N396 PolarHBondContact O-N 3.4Å; E394-N396 PolarHBondContact O-N 3Å
397W55.1Low49.6Very low106 Ų106101.2 Ų101.240%0.40254%0.536SS..  trans-79.5132.8-174.4179.957.2000112.3C361 F362 L389 E394 P399C361-W397 CarbonylContact O-C 3.59Å; C361-W397 VanDerWaalsContact O-CA 3.24Å; C361-W397 WeakPolarHBondContact O-CA 3.28Å; F362-W397 HydrophobicContact CE1-CB 3.98Å; F362-W397 HydrophobicContact CZ-CB 4.34Å; F362-W397 AromaticContact CZ-CD1 3.88Å; F362-W397 HydrophobicContact CZ-CG 4.41Å; L389-W397 HydrophobicContact CD2-CB 4.03Å; L389-W397 HydrophobicContact CD2-CD2 4.44Å; L389-W397 HydrophobicContact CD2-CG 4.07Å; E394-W397 WeakPolarHBondContact O-CB 3.21Å; E394-W397 PolarHBondContact O-N 2.8Å; W397-P399 HydrophobicContact CE3-CG 4.39Å; W397-P399 HydrophobicContact CH2-CB 4.17Å; W397-P399 HydrophobicContact CH2-CG 3.97Å; W397-P399 HydrophobicContact CZ2-CB 4.14Å; W397-P399 HydrophobicContact CZ2-CG 4.25Å; W397-P399 HydrophobicContact CZ3-CG 4.04Å
398R64.9Low47.4Very low169 Ų169107.4 Ų107.464%0.63856%0.562SS**  trans-112.4121.6166.9-66.7-170.8-179.9-159.41.9110.1C361C361-R398 PolarHBondContact O-N 3.49Å
399P51.9Low45.3Very low87 Ų87114.1 Ų114.157%0.56560%0.603SS**PPolyproline II helixtrans-60.7145.2176-2030.2000112.2W397 C401W397-P399 HydrophobicContact CE3-CG 4.39Å; W397-P399 HydrophobicContact CH2-CB 4.17Å; W397-P399 HydrophobicContact CH2-CG 3.97Å; W397-P399 HydrophobicContact CZ2-CB 4.14Å; W397-P399 HydrophobicContact CZ2-CG 4.25Å; W397-P399 HydrophobicContact CZ3-CG 4.04Å; P399-C401 PolarHBondContact O-N 3.22Å
400L45.3Very low43.2Very low94 Ų94121.1 Ų121.149%0.49263%0.632SS.*PPolyproline II helixtrans-63.8122.8173.4-76.6160000110V357V357-L400 HydrophobicContact CG1-CD1 4.22Å; V357-L400 HydrophobicContact CG1-CD2 3.57Å; V357-L400 HydrophobicContact CG1-CG 4.34Å; V357-L400 HydrophobicContact CG2-CD2 4.49Å
401C31.8Very low41.8Very low106 Ų106123 Ų12372%0.71665%0.647SS**PPolyproline II helixtrans-100.4122.7161-84.20000107.8P399 T403P399-C401 PolarHBondContact O-N 3.22Å; C401-T403 PolarHBondContact O-N 3.3Å
402P28.9Very low40.3Very low106 Ų106128.9 Ų128.969%0.68867%0.669SS**  trans-64.1103.3169.2-13.727.2000108.1A404P402-A404 PolarHBondContact O-N 3.39Å
403T29.7Very low39.1Very low132 Ų132133.2 Ų133.281%0.8169%0.689SS**  trans-74.2123173.1440000109.2C401C401-T403 PolarHBondContact O-N 3.3Å
404A27.5Very low37.9Very low88 Ų88137.8 Ų137.873%0.72771%0.714SS**  trans-43.5139.3174.800000113.7P402 V406P402-A404 PolarHBondContact O-N 3.39Å; A404-V406 PolarHBondContact O-N 3.45Å
405E25.1Very low36.7Very low193 Ų193136.5 Ų136.590%0.90273%0.725SS**  trans-19117.5159.4-58.7170.3172.500114.1
406V32.4Very low36.1Very low143 Ų143131 Ų13187%0.86772%0.722SS**  trans-131.8117.8157.7-177.50000108.6A404A404-V406 PolarHBondContact O-N 3.45Å
407E29.5Very low34.9Very low180 Ų180135.6 Ų135.684%0.84175%0.747SS**  trans-54.5142.4-174.4-62.9-177.5139.200114.8
408E25Very low34.1Very low175 Ų175135.6 Ų135.682%0.81876%0.763SS**  trans-58129.1163.7-66.8-178140.400111.7
409T30.1Very low32.7Very low142 Ų142131.9 Ų131.987%0.87177%0.769SS**  trans-135.7112.5147.141.20000110.7
410K25.8Very low31.9Very low182 Ų182137.2 Ų137.279%0.79178%0.783SS**  trans-65.1145169.9-74.3168.2173.4165.30111.5
411T30.8Very low31.4Very low125 Ų125137.3 Ų137.377%0.76780%0.797SS**  trans173.8104.6135.125.90000108.5
412E33.1Very low31.5Very low173 Ų173139.7 Ų139.781%0.80880%0.803SS**  89.8102.194.6-81.6-177.3-178.400114.7
413T29.2Very low31.6Very low122 Ų122141.8 Ų141.875%0.74881%0.808SS**  trans43.4130.5131.3480000123
414E33.7Very low31.8Very low187 Ų187138.8 Ų138.887%0.87480%0.803SS**  154.7105.5126.4-83.8179-177.700108.8
415A32.6Very low31.9Very low100 Ų100139.4 Ų139.483%0.82680%0.803SS**  76.3139.774.900000115.8
416A36.1Very low32.2Very low91 Ų91137.2 Ų137.275%0.75280%0.802SS**  trans90.8139.6168.900000116.4
417D34.8Very low31.9Very low146 Ų146139 Ų13978%0.78180%0.801SS**  cis-172.71561.4-125.4-28.4000111.1
418S37.7Very low31.9Very low106 Ų106137 Ų13774%0.74180%0.801SS**  trans65.1124152730000120.1
419A35.4Very low32Very low91 Ų91137.4 Ų137.475%0.75280%0.804SS**  cis94.6133.537.500000115.7
420K35.9Very low31.9Very low200 Ų200139.8 Ų139.887%0.8781%0.805SS**  trans96.7109.3164-62.9179.3176.5177.70116.4
421A34Very low31.9Very low95 Ų95135.8 Ų135.879%0.78580%0.8SS**  73.7114.371.600000112.6
422D34.2Very low31.7Very low157 Ų157136.8 Ų136.884%0.8481%0.806SS**  163.4139.193.9-14911.4000112.3
423D31.4Very low31.5Very low149 Ų149137 Ų13780%0.79781%0.807SS**  trans11.3148.6155.3-1502.4000123.7
424G32.7Very low31.2Very low69 Ų69140.8 Ų140.871%0.71182%0.816SS**  trans158.168.3166.900000116.3
425S29.8Very low30.8Very low102 Ų102136.7 Ų136.771%0.71381%0.808SS**  trans-45.5143.6169.4540000115.9
426T31.1Very low30.3Very low146 Ų146137.2 Ų137.290%0.89681%0.806SS**  trans-158.7128.7136.6-0.60000111.3
427E27.7Very low29.7Very low181 Ų181138.4 Ų138.485%0.84681%0.807SS**  trans-72.2143.7-172.7-60.4163.1159.200112.1
428T29.6Very low29.1Very low137 Ų137137 Ų13784%0.8480%0.804SS**  trans-154.598.2143.6-15.30000109.3
429E26.8Very low28.5Very low185 Ų185139.1 Ų139.186%0.86480%0.803SS**  trans15.7111141.6-56.8-179.2172.100117.7
430E28.1Very low28Very low191 Ų191143.2 Ų143.289%0.89381%0.807SS**  trans-150.2122.5133.2-143.3167.2-168.500111
431S25.5Very low27.8Very low98 Ų98135.8 Ų135.869%0.68578%0.777SS**  trans-62.1134.7-177.447.70000114.2
432T26.8Very low27.7Very low146 Ų146133.3 Ų133.390%0.89675%0.754SS**  trans-133104.2149.933.80000109.2
433E27.5Very low27.8Very low178 Ų178131.1 Ų131.183%0.83275%0.748SS**  trans-70.7133.3-176.3-66.5174.7150.900111.7S435E433-S435 PolarHBondContact O-N 2.96Å
434E23.2Very low28Very low202 Ų202128.9 Ų128.994%0.94474%0.736SS**  trans-57.8120154.8-65.3176.1143.800109.2
435S25.3Very low28.1Very low100 Ų100130 Ų13070%0.69972%0.724SS**  trans-151.587.6167.81730000111.4E433 C437E433-S435 PolarHBondContact O-N 2.96Å; S435-C437 PolarHBondContact O-N 3.12Å
436S23.3Very low28.4Very low112 Ų112125.9 Ų125.978%0.78370%0.696SS**  trans-19.9118.7143.4144.80000113.7
437C22.1Very low28.8Very low116 Ų116123.4 Ų123.478%0.78468%0.675SS**  trans-135.6117.6161.7-174.30000109.9S435S435-C437 PolarHBondContact O-N 3.12Å
438V22.9Very low29.2Very low117 Ų117119.9 Ų119.971%0.70966%0.659SS**  trans-80.2123.3-179.1174.20000108.2
439M25.6Very low29.4Very low149 Ų149115.3 Ų115.373%0.73463%0.629SS**  trans-104.1109.9170.9-85.4-112.8-93.900109.9
440E25.2Very low30Very low177 Ų177109.4 Ų109.483%0.82760%0.601SS**PPolyproline II helixtrans-67.4125.5171.9-65.2-176.3151.400109.7S442E440-S442 PolarHBondContact O-N 2.88Å
441L30.6Very low30.6Very low44 Ų44106.5 Ų106.523%0.2359%0.588CS.*PPolyproline II helixtrans-65.6132.3169.2-69.6168.7000108.7M445 A446 L449 L466L441-M445 HydrophobicContact CB-CB 4.47Å; L441-M445 HydrophobicContact CD2-CB 4.06Å; L441-A446 HydrophobicContact CB-CB 3.98Å; L441-A446 HydrophobicContact CD1-CB 4.29Å; L441-L449 HydrophobicContact CD1-CD1 3.41Å; L441-L449 VanDerWaalsContact CD1-CD1 3.41Å; L441-L449 HydrophobicContact CD2-CD1 3.29Å; L441-L449 HydrophobicContact CG-CD1 3.99Å; L441-L466 HydrophobicContact CB-CD1 4.03Å; L441-L466 HydrophobicContact CB-CD2 4.03Å; L441-L466 HydrophobicContact CB-CG 4.36Å; L441-L466 HydrophobicContact CD1-CD1 4.22Å; L441-L466 HydrophobicContact CD1-CD2 3.14Å; L441-L466 HydrophobicContact CD1-CG 3.65Å; L441-L466 HydrophobicContact CG-CD1 4.37Å; L441-L466 HydrophobicContact CG-CD2 3.42Å; L441-L466 VanDerWaalsContact CG-CD2 3.42Å; L441-L466 HydrophobicContact CG-CG 4.18Å
442S32.7Very low30.9Very low44 Ų44107.2 Ų107.231%0.30858%0.582SS.*PPolyproline II helixtrans-57.2148.3167.271.80000109.4E440 D444 M445 A446E440-S442 PolarHBondContact O-N 2.88Å; S442-D444 PolarHBondContact O-N 3.46Å; S442-D444 VanDerWaalsContact O-N 3.07Å; S442-M445 CarbonylContact O-C 3.41Å; S442-M445 PolarHBondContact O-N 3.44Å; S442-M445 WeakPolarHBondContact OG-CB 3.42Å; S442-M445 WeakPolarHBondContact OG-CE 3.07Å; S442-M445 PolarHBondContact OG-N 3.05Å; S442-A446 WeakPolarHBondContact O-CB 3.5Å; S442-A446 PolarHBondContact O-N 3.35Å
443P34.8Very low31.2Very low111 Ų111104.8 Ų104.872%0.72156%0.559SS**Hα-helixtrans-52.1-33175.4-28.235.1000112.9M447P443-M447 WeakPolarHBondContact O-CB 3.24Å; P443-M447 PolarHBondContact O-N 3.34Å
444D36.6Very low31.4Very low102 Ų10297.2 Ų97.255%0.54553%0.528SS..Hα-helixtrans-72.5-40.7175-73.2-30.9000113S442 M447 Q448S442-D444 PolarHBondContact O-N 3.46Å; S442-D444 VanDerWaalsContact O-N 3.07Å; D444-M447 PolarHBondContact O-N 2.94Å; D444-Q448 VanDerWaalsContact O-CB 3.27Å; D444-Q448 WeakPolarHBondContact O-CB 3.38Å; D444-Q448 WeakPolarHBondContact O-CG 3.26Å; D444-Q448 PolarHBondContact O-N 3.39Å
445M34.6Very low31.8Very low93 Ų9395.4 Ų95.446%0.45852%0.518SS..Hα-helixtrans-70.9-38173.5-83.4-172.6-79.300111.8L441 S442 M447 Q448 L449L441-M445 HydrophobicContact CB-CB 4.47Å; L441-M445 HydrophobicContact CD2-CB 4.06Å; S442-M445 CarbonylContact O-C 3.41Å; S442-M445 PolarHBondContact O-N 3.44Å; S442-M445 WeakPolarHBondContact OG-CB 3.42Å; S442-M445 WeakPolarHBondContact OG-CE 3.07Å; S442-M445 PolarHBondContact OG-N 3.05Å; M445-M447 VanDerWaalsContact C-N 3.31Å; M445-Q448 PolarHBondContact O-N 2.93Å; M445-L449 WeakPolarHBondContact O-CB 3.44Å; M445-L449 WeakPolarHBondContact O-CD1 3.29Å; M445-L449 WeakPolarHBondContact O-CG 3.17Å; M445-L449 PolarHBondContact O-N 2.83Å
446A36.8Very low32.2Very low14 Ų1495.7 Ų95.712%0.11651%0.507CS..Hα-helixtrans-63.5-39.8172.300000110.6L441 S442 Q450L441-A446 HydrophobicContact CB-CB 3.98Å; L441-A446 HydrophobicContact CD1-CB 4.29Å; S442-A446 WeakPolarHBondContact O-CB 3.5Å; S442-A446 PolarHBondContact O-N 3.35Å; A446-Q450 WeakPolarHBondContact O-CB 3.34Å; A446-Q450 PolarHBondContact O-N 3.2Å
447M38.6Very low32.7Very low94 Ų9496.9 Ų96.946%0.46350%0.495SS..Hα-helixtrans-69.4-38.4174.5-174.7176.862.500112.1P443 D444 M445 Q450 Q451P443-M447 WeakPolarHBondContact O-CB 3.24Å; P443-M447 PolarHBondContact O-N 3.34Å; D444-M447 PolarHBondContact O-N 2.94Å; M445-M447 VanDerWaalsContact C-N 3.31Å; M447-Q450 CarbonylContact O-C 3.44Å; M447-Q450 PolarHBondContact O-N 3.48Å; M447-Q451 WeakPolarHBondContact O-CB 3.28Å; M447-Q451 VanDerWaalsContact O-CG 3.31Å; M447-Q451 WeakPolarHBondContact O-CG 3.33Å; M447-Q451 PolarHBondContact O-N 2.97Å
448Q35.8Very low33.4Very low107 Ų107101.9 Ų101.950%0.550%0.497SS..Hα-helixtrans-69.9-38.4175.2-76.5170.75.400111.7D444 M445 Q451 M452D444-Q448 VanDerWaalsContact O-CB 3.27Å; D444-Q448 WeakPolarHBondContact O-CB 3.38Å; D444-Q448 WeakPolarHBondContact O-CG 3.26Å; D444-Q448 PolarHBondContact O-N 3.39Å; M445-Q448 PolarHBondContact O-N 2.93Å; Q448-Q451 CarbonylContact O-C 3.59Å; Q448-Q451 PolarHBondContact O-N 3.28Å; Q448-M452 WeakPolarHBondContact O-CB 3.38Å; Q448-M452 WeakPolarHBondContact O-CG 3.42Å; Q448-M452 PolarHBondContact O-N 2.99Å
449L35.1Very low34.3Very low42 Ų42103.7 Ų103.722%0.2250%0.503CS..Hα-helixtrans-70.7-33.4172.4-71.2165.5000111L441 M445 Q451 M452 F453 F465L441-L449 HydrophobicContact CD1-CD1 3.41Å; L441-L449 VanDerWaalsContact CD1-CD1 3.41Å; L441-L449 HydrophobicContact CD2-CD1 3.29Å; L441-L449 HydrophobicContact CG-CD1 3.99Å; M445-L449 WeakPolarHBondContact O-CB 3.44Å; M445-L449 WeakPolarHBondContact O-CD1 3.29Å; M445-L449 WeakPolarHBondContact O-CG 3.17Å; M445-L449 PolarHBondContact O-N 2.83Å; L449-Q451 VanDerWaalsContact C-N 3.34Å; L449-M452 HydrophobicContact CD2-CE 4.29Å; L449-M452 PolarHBondContact O-N 3.38Å; L449-F453 HydrophobicContact CB-CD2 4.26Å; L449-F453 HydrophobicContact CD2-CD2 3.81Å; L449-F453 HydrophobicContact CD2-CE2 3.49Å; L449-F453 VanDerWaalsContact CD2-CE2 3.49Å; L449-F453 WeakPolarHBondContact O-CA 3.38Å; L449-F453 WeakPolarHBondContact O-CB 3.22Å; L449-F453 WeakPolarHBondContact O-CD2 3.37Å; L449-F453 PolarHBondContact O-N 3.36Å; L449-F465 HydrophobicContact CB-CE1 4.11Å
450Q38Very low34.8Very low60 Ų6098.3 Ų98.328%0.2848%0.477SS..Hα-helixtrans-73.4-25.7170.3-170159.98.200111.9A446 M447 G454A446-Q450 WeakPolarHBondContact O-CB 3.34Å; A446-Q450 PolarHBondContact O-N 3.2Å; M447-Q450 CarbonylContact O-C 3.44Å; M447-Q450 PolarHBondContact O-N 3.48Å; Q450-G454 WeakPolarHBondContact O-CA 3.46Å; Q450-G454 PolarHBondContact O-N 2.92Å
451Q40.7Very low35.6Very low130 Ų13092.7 Ų92.761%0.60746%0.456SS*.Hα-helixtrans-76.6-33.8169-80.3176.3-3.500112.1M447 Q448 L449M447-Q451 WeakPolarHBondContact O-CB 3.28Å; M447-Q451 VanDerWaalsContact O-CG 3.31Å; M447-Q451 WeakPolarHBondContact O-CG 3.33Å; M447-Q451 PolarHBondContact O-N 2.97Å; Q448-Q451 CarbonylContact O-C 3.59Å; Q448-Q451 PolarHBondContact O-N 3.28Å; L449-Q451 VanDerWaalsContact C-N 3.34Å
452M32Very low35.9Very low114 Ų11494.2 Ų94.256%0.56247%0.468SS*.Hα-helixtrans-78.8-38.3177-81.3174.641.700113.2Q448 L449Q448-M452 WeakPolarHBondContact O-CB 3.38Å; Q448-M452 WeakPolarHBondContact O-CG 3.42Å; Q448-M452 PolarHBondContact O-N 2.99Å; L449-M452 HydrophobicContact CD2-CE 4.29Å; L449-M452 PolarHBondContact O-N 3.38Å
453F33.2Very low36.3Very low95 Ų9597.8 Ų97.842%0.41748%0.484SS..Hα-helixtrans-121-16.4-171.9-62.9-75.1000114L449 F455 F456 F465L449-F453 HydrophobicContact CB-CD2 4.26Å; L449-F453 HydrophobicContact CD2-CD2 3.81Å; L449-F453 HydrophobicContact CD2-CE2 3.49Å; L449-F453 VanDerWaalsContact CD2-CE2 3.49Å; L449-F453 WeakPolarHBondContact O-CA 3.38Å; L449-F453 WeakPolarHBondContact O-CB 3.22Å; L449-F453 WeakPolarHBondContact O-CD2 3.37Å; L449-F453 PolarHBondContact O-N 3.36Å; F453-F455 PolarHBondContact O-N 3.24Å; F453-F455 VanDerWaalsContact O-N 3.08Å; F453-F456 WeakPolarHBondContact O-CB 3.49Å; F453-F456 PolarHBondContact O-N 2.91Å; F453-F465 HydrophobicContact CB-CE2 4.24Å; F453-F465 HydrophobicContact CB-CZ 3.64Å; F453-F465 HydrophobicContact CD2-CZ 4.48Å; F453-F465 HydrophobicContact CG-CZ 4.38Å
454G31.9Very low36.8Very low18 Ų18100.3 Ų100.319%0.18648%0.479CS..THydrogen-bonded Turntrans-69.8-0.2175.100000113.7Q450Q450-G454 WeakPolarHBondContact O-CA 3.46Å; Q450-G454 PolarHBondContact O-N 2.92Å
455F31.8Very low36.7Very low165 Ų16596.6 Ų96.672%0.72446%0.458SS*.THydrogen-bonded Turntrans-66.6-24.5161.8-128.9-89.2000112.7F453F453-F455 PolarHBondContact O-N 3.24Å; F453-F455 VanDerWaalsContact O-N 3.08Å
456F32.7Very low36.6Very low106 Ų10694.6 Ų94.647%0.46545%0.449SS..SBendtrans-93.1-15-178.9-75.9-80.5000114.9G124 F453G124-F456 VanDerWaalsContact CA-CE2 3.41Å; G124-F456 VanDerWaalsContact N-CZ 3.35Å; F453-F456 WeakPolarHBondContact O-CB 3.49Å; F453-F456 PolarHBondContact O-N 2.91Å
457Y34Very low36.4Very low137 Ų13797.8 Ų97.854%0.53747%0.47SS..  trans-144.880.8-172.9-61.3-81000112D459 I460Y457-D459 VanDerWaalsContact C-N 3.27Å; Y457-D459 PolarHBondContact O-N 3.46Å; Y457-I460 HydrophobicContact CD1-CD1 3.96Å; Y457-I460 HydrophobicContact CG-CD1 4.09Å
458R37.2Very low36Very low220 Ų220101.9 Ų101.983%0.8348%0.481SS*.THydrogen-bonded Turntrans-70.6-12-176.2-85.3-175.6173.3-179.60.3115.7
459D41.5Very low35.7Very low156 Ų156102.3 Ų102.383%0.83449%0.486SS*.THydrogen-bonded Turntrans-108.911.9-172.3-59.9-42.8000114.5Y457Y457-D459 VanDerWaalsContact C-N 3.27Å; Y457-D459 PolarHBondContact O-N 3.46Å
460I37.1Very low35.5Very low35 Ų35108.7 Ų108.718%0.17951%0.512CS..  trans-112.1118.6-172.5-53.7-175.7000111.2Y457 R464Y457-I460 HydrophobicContact CD1-CD1 3.96Å; Y457-I460 HydrophobicContact CG-CD1 4.09Å; I460-R464 HydrophobicContact CG2-CB 3.69Å
461P41.4Very low34.9Very low59 Ų59115.4 Ų115.438%0.38354%0.536SS..  trans-57.4147.8172.7-26.535.7000113.4D463 R464P461-D463 WeakPolarHBondContact CB-OD1 3.48Å; P461-D463 PolarHBondContact O-N 2.84Å; P461-D463 VanDerWaalsContact O-N 3.15Å; P461-R464 PolarHBondContact O-N 3.24Å
462P36.3Very low34.2Very low76 Ų76118.8 Ų118.849%0.49455%0.549SS..Hα-helixtrans-55.5-33.7-174.9-22.331.9000114.2R464 F465P462-R464 VanDerWaalsContact C-N 3.27Å; P462-R464 PolarHBondContact O-N 2.83Å; P462-F465 PolarHBondContact O-N 2.85Å
463D42.7Very low33.8Very low120 Ų120124.7 Ų124.764%0.64257%0.565SS**Hα-helixtrans-69.5-18.4177.654.3-57.1000113.7P461P461-D463 WeakPolarHBondContact CB-OD1 3.48Å; P461-D463 PolarHBondContact O-N 2.84Å; P461-D463 VanDerWaalsContact O-N 3.15Å
464R44.4Very low33.5Very low163 Ų163129.5 Ų129.562%0.61559%0.586SS**Hα-helixtrans-102-5.5178.4-69-167.6177.2-161.5-1.4114.6I460 P461 P462 S467I460-R464 HydrophobicContact CG2-CB 3.69Å; P461-R464 PolarHBondContact O-N 3.24Å; P462-R464 VanDerWaalsContact C-N 3.27Å; P462-R464 PolarHBondContact O-N 2.83Å; R464-S467 PolarHBondContact O-OG 3.08Å
465F35.5Very low33.3Very low24 Ų24135.6 Ų135.611%0.10561%0.612CS.*Hα-helixtrans-72.1-36.8-178-171.3-99.9000112.1L449 F453 P462 L469L449-F465 HydrophobicContact CB-CE1 4.11Å; F453-F465 HydrophobicContact CB-CE2 4.24Å; F453-F465 HydrophobicContact CB-CZ 3.64Å; F453-F465 HydrophobicContact CD2-CZ 4.48Å; F453-F465 HydrophobicContact CG-CZ 4.38Å; P462-F465 PolarHBondContact O-N 2.85Å; F465-L469 HydrophobicContact CD1-CD1 4.23Å; F465-L469 HydrophobicContact CE1-CD1 3.75Å; F465-L469 HydrophobicContact CZ-CD1 4.23Å
466L31.4Very low32.9Very low52 Ų52136.1 Ų136.127%0.27262%0.622SS.*Hα-helixtrans-71.2-39.7-178.6-91.7169.8000115L441 R468L441-L466 HydrophobicContact CB-CD1 4.03Å; L441-L466 HydrophobicContact CB-CD2 4.03Å; L441-L466 HydrophobicContact CB-CG 4.36Å; L441-L466 HydrophobicContact CD1-CD1 4.22Å; L441-L466 HydrophobicContact CD1-CD2 3.14Å; L441-L466 HydrophobicContact CD1-CG 3.65Å; L441-L466 HydrophobicContact CG-CD1 4.37Å; L441-L466 HydrophobicContact CG-CD2 3.42Å; L441-L466 VanDerWaalsContact CG-CD2 3.42Å; L441-L466 HydrophobicContact CG-CG 4.18Å; L466-R468 PolarHBondContact O-N 3.34Å
467S32.9Very low32.5Very low80 Ų80137.6 Ų137.656%0.55964%0.635SS**Hα-helixtrans-73.5-12-173.729.60000113.5R464R464-S467 PolarHBondContact O-OG 3.08Å
468R30.1Very low32.1Very low180 Ų180136.6 Ų136.668%0.67964%0.643SS**Hα-helixtrans-101.3-18.3179-104.1176.8169.7165.9-3.4115.1L466 F470 Y471L466-R468 PolarHBondContact O-N 3.34Å; R468-F470 VanDerWaalsContact C-N 3.29Å; R468-F470 PolarHBondContact O-N 3.41Å; R468-Y471 PolarHBondContact O-N 2.92Å
469L29.1Very low31.3Very low117 Ų117133.3 Ų133.361%0.61364%0.642SS**Hα-helixtrans-69.8-26.6177.5-100.9146.2000112.7F465F465-L469 HydrophobicContact CD1-CD1 4.23Å; F465-L469 HydrophobicContact CE1-CD1 3.75Å; F465-L469 HydrophobicContact CZ-CD1 4.23Å
470F31.2Very low30.5Very low175 Ų175132.7 Ų132.777%0.76864%0.643SS**THydrogen-bonded Turntrans-88.1-4177.5-77.6-84.8000114.7R468R468-F470 VanDerWaalsContact C-N 3.29Å; R468-F470 PolarHBondContact O-N 3.41Å
471Y25Very low29.7Very low202 Ų202137.9 Ų137.979%0.79267%0.67SS**SBendtrans-115.111.2-166.1-146.3-94.2000116.3R468R468-Y471 PolarHBondContact O-N 2.92Å
472K26.4Very low28.9Very low200 Ų200142 Ų14287%0.8769%0.694SS**  trans-120.468.1177.1-93.5-168.4172.7-173.40113
473R24.7Very low28.2Very low239 Ų239145.4 Ų145.490%0.90270%0.703SS**  trans-143.672.3162.7-164.7178.6-170.4167.92.7109.9
474K26.3Very low27.3Very low195 Ų195145.4 Ų145.485%0.84871%0.708SS**SBendtrans171.6140.8151.2-106.9177.2-178.5-179.20112.9
475I27Very low26.4Very low146 Ų146143.1 Ų143.175%0.74972%0.716SS**  trans87.787.1153.3-55.7150.1000116.3
476L24.2Very low25.8Very low176 Ų176147.6 Ų147.692%0.92175%0.749SS**  trans-70.8106.7142-85.5145000107.3
477D24.1Very low25.6Very low137 Ų137153.6 Ų153.673%0.73378%0.78SS**  trans174.3135.9141.6-106.9-23.9000111.3
478V25Very low25.3Very low117 Ų117154.8 Ų154.871%0.70979%0.788SS**  trans60.3115.2147.3-1710000119.5
479N21.9Very low25Very low151 Ų151155.5 Ų155.581%0.80780%0.8SS**  trans18.1125.3146.7-65.2-34.2000119
480V23.8Very low25Very low142 Ų142153.2 Ų153.286%0.86180%0.804SS**  178.5126.11231560000110.2
481L21.1Very low24.7Very low145 Ų145153.6 Ų153.676%0.75981%0.808SS**  trans-62.3140.4166.7-92.789.3000111.4
482V23.8Very low24.9Very low145 Ų145150.5 Ų150.588%0.87981%0.811SS**  trans-142.6126.1133-177.30000109.1
483E22.2Very low25Very low147 Ų147148.3 Ų148.369%0.68781%0.807SS**  trans-102.1164.5-174.6-158.8179.2-146.900110
484T23.4Very low25.4Very low120 Ų120142.4 Ų142.474%0.73680%0.799SS**  trans81.5145.316277.20000117.1
485C25Very low25.5Very low115 Ų115138 Ų13878%0.77779%0.793SS**  cis-160.3145.512.9-134.30000109.8
486C22.5Very low25.4Very low119 Ų119136.7 Ų136.780%0.80479%0.787SS**  trans-59.9133.5169.6-55.90000111.4
487L28.2Very low25.6Very low177 Ų177136.9 Ų136.993%0.92778%0.783SS**  trans-142.3122.2151-75.4179.4000110.3
488S25.5Very low25.8Very low105 Ų105138.3 Ų138.373%0.73479%0.791SS**  trans-73.5149173.746.30000111.9
489E25.5Very low25.8Very low196 Ų196138.4 Ų138.492%0.91679%0.786SS**SBendtrans31.3110.4151.8-66.6-176.516700117.9
490G27.2Very low25.9Very low69 Ų69135.8 Ų135.871%0.71178%0.78SS**  trans131114.4158.100000113.2
491E26.8Very low26.1Very low183 Ų183136.5 Ų136.586%0.85578%0.779SS**  trans90.498.4144.2-54.6-174151.700118.7
492T28.9Very low26.1Very low137 Ų137136.7 Ų136.784%0.8478%0.78SS**  71.7101.412656.50000121.5
493I28.7Very low26.1Very low154 Ų154136.3 Ų136.379%0.7978%0.778SS**  trans-56.8147.3152.5-59.3163.2000110.4
494P31.6Very low26.1Very low114 Ų114137.6 Ų137.674%0.7478%0.781SS**  -154.4170.775.534.5-8.8000116.4
495S28.7Very low26.1Very low103 Ų103138.5 Ų138.572%0.7279%0.786SS**  cis-158.2139.440.851.50000111
496L25.2Very low25.9Very low119 Ų119136.2 Ų136.262%0.62378%0.782SS**  68.787.565-102.1103.4000116.3I499L496-I499 HydrophobicContact CD1-CD1 4.08Å; L496-I499 HydrophobicContact CD2-CD1 3.17Å; L496-I499 HydrophobicContact CD2-CG1 4.17Å; L496-I499 HydrophobicContact CG-CD1 3.41Å; L496-I499 VanDerWaalsContact CG-CD1 3.41Å; L496-I499 HydrophobicContact CG-CG1 4.1Å
497Q28.5Very low26.1Very low179 Ų179136 Ų13684%0.83678%0.779SS**SBendtrans175.165.8160.8-101.2161.6-900107.5
498D28.2Very low25.9Very low167 Ų167136.4 Ų136.489%0.89377%0.773SS**  -153.5121.375.9-72.2-39.2000111.5
499I25.1Very low25.7Very low120 Ų120136.8 Ų136.862%0.61577%0.772SS**  trans-105.4129.6174.3-73-171000107L496L496-I499 HydrophobicContact CD1-CD1 4.08Å; L496-I499 HydrophobicContact CD2-CD1 3.17Å; L496-I499 HydrophobicContact CD2-CG1 4.17Å; L496-I499 HydrophobicContact CG-CD1 3.41Å; L496-I499 VanDerWaalsContact CG-CD1 3.41Å; L496-I499 HydrophobicContact CG-CG1 4.1Å
500S24.9Very low25.7Very low96 Ų96134.2 Ų134.267%0.67176%0.764SS**  trans171.2112.2143.654.40000106.7
501D26.3Very low25.6Very low156 Ų156139.4 Ų139.483%0.83478%0.775SS**  cis-152.2131.426.7-75.1-44.1000110.4
502L21.5Very low25.6Very low149 Ų149136.9 Ų136.978%0.7877%0.766SS**  trans-111.9109.4174.5-164.4121.5000106F504L502-F504 HydrophobicContact CD2-CE2 4.26Å
503V24.2Very low25.4Very low138 Ų138134.9 Ų134.984%0.83675%0.751SS**  trans-138.9125.2167.7-175.40000111.6
504F22.1Very low25.2Very low174 Ų174132.2 Ų132.276%0.76375%0.745SS**  trans-63.8160.6175.3-82.5-117.6000113.9L502L502-F504 HydrophobicContact CD2-CE2 4.26Å
505V23.2Very low24.9Very low139 Ų139132.4 Ų132.484%0.84274%0.739SS**  138.6110.7118.7-178.30000112.9
506G22.1Very low24.8Very low67 Ų67134.4 Ų134.469%0.69174%0.737SS**  trans88.1160.7134.300000119.7
507P26.5Very low24.8Very low113 Ų113135 Ų13573%0.73474%0.74SS**  trans-96.1160.7-149.136.9-32000114.6
508F22.7Very low24.6Very low186 Ų186135.9 Ų135.982%0.81674%0.742SS**  trans89122.2172.4-67.9-85.7000118.6
509T22.9Very low24.6Very low114 Ų114133.9 Ų133.970%0.69973%0.73SS**  trans85.7124.5140.455.30000121.2
510N24.1Very low24.7Very low142 Ų142140 Ų14076%0.75975%0.745SS**  trans74.590.3147.2-56.3-16.5000117.5
511L25.4Very low25.1Very low177 Ų177139.5 Ų139.593%0.92773%0.734SS**  trans-168.883.4154.8-96.7143.1000110
512L26.9Very low25.5Very low130 Ų130136 Ų13668%0.68172%0.719SS**  trans-167.5115.6142.5-98163.4000107.2Q516L512-Q516 HydrophobicContact CD2-CB 4.19Å
513D25.7Very low26.2Very low96 Ų96134.9 Ų134.951%0.51371%0.713SS.*  trans-67.8148-176.8-177.829.2000111.6N515 Q516D513-N515 PolarHBondContact O-N 2.98Å; D513-N515 PolarHBondContact OD2-ND2 3.39Å; D513-Q516 PolarHBondContact O-N 3.37Å; D513-Q516 VanDerWaalsContact O-N 3.13Å
514C23.2Very low26.8Very low98 Ų98132 Ų13266%0.66269%0.693SS**THydrogen-bonded Turntrans-61.1-11.5-175.1390000114.1
515N26.3Very low27.5Very low118 Ų118127.8 Ų127.863%0.63168%0.678SS**THydrogen-bonded Turntrans-89.60.4178.8-60.1-47.3000114.6D513D513-N515 PolarHBondContact O-N 2.98Å; D513-N515 PolarHBondContact OD2-ND2 3.39Å
516Q26.6Very low28.2Very low144 Ų144123.1 Ų123.167%0.67365%0.654SS**  trans-111.53.3-173.4-64.3-147.2-11.700116L512 D513 K518L512-Q516 HydrophobicContact CD2-CB 4.19Å; D513-Q516 PolarHBondContact O-N 3.37Å; D513-Q516 VanDerWaalsContact O-N 3.13Å; Q516-K518 PolarHBondContact O-N 3.13Å
517L24.6Very low29Very low132 Ų132125.9 Ų125.969%0.69165%0.647SS**  trans-91.568.8175.1-83.2156.2000111.6I519L517-I519 VanDerWaalsContact C-N 3.32Å; L517-I519 HydrophobicContact CD2-CD1 3.88Å; L517-I519 HydrophobicContact CD2-CG1 4.06Å; L517-I519 PolarHBondContact O-N 3.22Å
518K25Very low29.6Very low198 Ų198124.1 Ų124.186%0.86163%0.634SS**  trans-84.774.8165-76.7-174.5178179.60110.1Q516 R520Q516-K518 PolarHBondContact O-N 3.13Å; K518-R520 PolarHBondContact O-N 2.96Å
519I27.4Very low30.3Very low125 Ų125120.1 Ų120.164%0.64162%0.621SS**  trans-79.9103.6172.5-55.3-179.9000108.2L517 I521L517-I519 VanDerWaalsContact C-N 3.32Å; L517-I519 HydrophobicContact CD2-CD1 3.88Å; L517-I519 HydrophobicContact CD2-CG1 4.06Å; L517-I519 PolarHBondContact O-N 3.22Å; I519-I521 HydrophobicContact CG2-CG1 3.89Å; I519-I521 PolarHBondContact O-N 3.4Å
520R27.8Very low31.1Very low249 Ų249119 Ų11994%0.9461%0.605SS**  trans-75.8106.1162-78.7-172.1-177.7-178.81.2108.3K518K518-R520 PolarHBondContact O-N 2.96Å
521I32.9Very low32Very low85 Ų85115.1 Ų115.144%0.43659%0.586SS.*  trans-92.1133.9169.1-26.3175.7000106.4I519 I523 L525I519-I521 HydrophobicContact CG2-CG1 3.89Å; I519-I521 PolarHBondContact O-N 3.4Å; I521-I523 PolarHBondContact O-N 3.28Å; I521-L525 HydrophobicContact CG2-CB 3.96Å; I521-L525 HydrophobicContact CG2-CD2 3.61Å; I521-L525 HydrophobicContact CG2-CG 3.81Å
522P33.8Very low32.6Very low81 Ų81109.8 Ų109.853%0.52656%0.564SS.*  trans-51.4136.1168.3-25.133.7000109.7D524 L525 A526P522-D524 PolarHBondContact O-N 3.43Å; P522-D524 VanDerWaalsContact O-N 3.13Å; P522-L525 HydrophobicContact CB-CB 4.38Å; P522-L525 WeakPolarHBondContact O-CA 3.41Å; P522-L525 WeakPolarHBondContact O-CB 3.38Å; P522-L525 PolarHBondContact O-N 3.48Å; P522-A526 PolarHBondContact O-N 3.46Å
523I36.9Very low33.4Very low127 Ų127106.9 Ų106.965%0.65154%0.543SS*.Hα-helixtrans-57-33.3-175.8-159.4163.1000111.3I521 L525 A526 F527I521-I523 PolarHBondContact O-N 3.28Å; I523-L525 VanDerWaalsContact C-N 3.33Å; I523-L525 PolarHBondContact O-N 3Å; I523-A526 PolarHBondContact O-N 2.91Å; I523-F527 VanDerWaalsContact O-CB 3.26Å; I523-F527 WeakPolarHBondContact O-CB 3.21Å; I523-F527 PolarHBondContact O-N 2.86Å
524D36Very low34.1Very low76 Ų76105.4 Ų105.441%0.40654%0.535SS..Hα-helixtrans-61.6-39.3175-56.6-29.7000112.6P522 T528P522-D524 PolarHBondContact O-N 3.43Å; P522-D524 VanDerWaalsContact O-N 3.13Å; D524-T528 WeakPolarHBondContact O-CB 3.41Å; D524-T528 PolarHBondContact O-N 3.32Å; D524-T528 PolarHBondContact O-OG1 3.25Å
525L38.3Very low35.1Very low86 Ų86103.3 Ų103.345%0.4552%0.524SS..Hα-helixtrans-75-39.8178.6-177.660.6000110.4I521 P522 I523 T528 L529I521-L525 HydrophobicContact CG2-CB 3.96Å; I521-L525 HydrophobicContact CG2-CD2 3.61Å; I521-L525 HydrophobicContact CG2-CG 3.81Å; P522-L525 HydrophobicContact CB-CB 4.38Å; P522-L525 WeakPolarHBondContact O-CA 3.41Å; P522-L525 WeakPolarHBondContact O-CB 3.38Å; P522-L525 PolarHBondContact O-N 3.48Å; I523-L525 VanDerWaalsContact C-N 3.33Å; I523-L525 PolarHBondContact O-N 3Å; L525-T528 PolarHBondContact O-N 3.22Å; L525-L529 HydrophobicContact CD1-CD1 4.33Å; L525-L529 HydrophobicContact CD1-CG 4.34Å; L525-L529 HydrophobicContact CG-CD1 4.13Å; L525-L529 WeakPolarHBondContact O-CB 3.42Å; L525-L529 WeakPolarHBondContact O-CD1 3.45Å; L525-L529 WeakPolarHBondContact O-CG 3.24Å; L525-L529 PolarHBondContact O-N 3.43Å
526A37Very low35.6Very low41 Ų41101.9 Ų101.934%0.33952%0.52SS..Hα-helixtrans-61-45172.900000111.7P522 I523 L529 Y530P522-A526 PolarHBondContact O-N 3.46Å; I523-A526 PolarHBondContact O-N 2.91Å; A526-L529 PolarHBondContact O-N 2.99Å; A526-Y530 WeakPolarHBondContact O-CB 3.21Å; A526-Y530 PolarHBondContact O-N 3.48Å
527F38.6Very low36.2Very low126 Ų126100.9 Ų100.955%0.55352%0.515SS*.Hα-helixtrans-67.7-39.7178-163.9-96000112.2I523 Y530 T531I523-F527 VanDerWaalsContact O-CB 3.26Å; I523-F527 WeakPolarHBondContact O-CB 3.21Å; I523-F527 PolarHBondContact O-N 2.86Å; F527-Y530 PolarHBondContact O-N 3.17Å; F527-T531 HydrophobicContact CD1-CG2 3.92Å; F527-T531 HydrophobicContact CE1-CG2 3.68Å; F527-T531 HydrophobicContact CZ-CG2 4.17Å; F527-T531 WeakPolarHBondContact O-CB 3.27Å; F527-T531 VanDerWaalsContact O-CG2 3.31Å; F527-T531 WeakPolarHBondContact O-CG2 3.42Å; F527-T531 PolarHBondContact O-N 3.17Å; F527-T531 PolarHBondContact O-OG1 2.87Å
528T39.7Very low36.8Very low75 Ų7597.4 Ų97.446%0.4650%0.5SS..Hα-helixtrans-64.9-40.7175.3-610000111.8D524 L525 T531 S532D524-T528 WeakPolarHBondContact O-CB 3.41Å; D524-T528 PolarHBondContact O-N 3.32Å; D524-T528 PolarHBondContact O-OG1 3.25Å; L525-T528 PolarHBondContact O-N 3.22Å; T528-T531 WeakPolarHBondContact CA-OG1 3.34Å; T528-T531 PolarHBondContact O-OG1 3.47Å; T528-T531 VanDerWaalsContact O-OG1 3.08Å; T528-S532 VanDerWaalsContact O-CB 3.23Å; T528-S532 WeakPolarHBondContact O-CB 3.44Å; T528-S532 PolarHBondContact O-N 3.44Å; T528-S532 PolarHBondContact O-OG 3.35Å
529L36.9Very low37.3Very low103 Ų10392.9 Ų92.954%0.53949%0.493SS..Hα-helixtrans-67-43176.3-71.8168.9000111.2L525 A526 W533L525-L529 HydrophobicContact CD1-CD1 4.33Å; L525-L529 HydrophobicContact CD1-CG 4.34Å; L525-L529 HydrophobicContact CG-CD1 4.13Å; L525-L529 WeakPolarHBondContact O-CB 3.42Å; L525-L529 WeakPolarHBondContact O-CD1 3.45Å; L525-L529 WeakPolarHBondContact O-CG 3.24Å; L525-L529 PolarHBondContact O-N 3.43Å; A526-L529 PolarHBondContact O-N 2.99Å; L529-W533 WeakPolarHBondContact O-CB 3.37Å; L529-W533 PolarHBondContact O-N 3.1Å
530Y41Very low37.9Very low91 Ų9195.5 Ų95.536%0.35750%0.503SS..Hα-helixtrans-63.5-48.1177.1177-99.3000112.6A526 F527 S532 W533 I534A526-Y530 WeakPolarHBondContact O-CB 3.21Å; A526-Y530 PolarHBondContact O-N 3.48Å; F527-Y530 PolarHBondContact O-N 3.17Å; Y530-S532 PolarHBondContact O-N 3.21Å; Y530-W533 PolarHBondContact O-N 2.88Å; Y530-I534 HydrophobicContact CD1-CG1 4.4Å; Y530-I534 HydrophobicContact CE1-CD1 4.48Å; Y530-I534 HydrophobicContact CE1-CG1 3.95Å; Y530-I534 HydrophobicContact CE2-CD1 4.47Å; Y530-I534 HydrophobicContact CE2-CG1 4.3Å; Y530-I534 WeakPolarHBondContact O-CG1 3.35Å; Y530-I534 PolarHBondContact O-N 3.14Å
531T41.7Very low38.3Very low59 Ų5988.6 Ų88.636%0.36249%0.488SS..Hα-helixtrans-65.1-39178.549.10000112.2F527 T528 W533 I534 A535F527-T531 HydrophobicContact CD1-CG2 3.92Å; F527-T531 HydrophobicContact CE1-CG2 3.68Å; F527-T531 HydrophobicContact CZ-CG2 4.17Å; F527-T531 WeakPolarHBondContact O-CB 3.27Å; F527-T531 VanDerWaalsContact O-CG2 3.31Å; F527-T531 WeakPolarHBondContact O-CG2 3.42Å; F527-T531 PolarHBondContact O-N 3.17Å; F527-T531 PolarHBondContact O-OG1 2.87Å; T528-T531 WeakPolarHBondContact CA-OG1 3.34Å; T528-T531 PolarHBondContact O-OG1 3.47Å; T528-T531 VanDerWaalsContact O-OG1 3.08Å; T531-W533 VanDerWaalsContact C-N 3.33Å; T531-I534 PolarHBondContact O-N 3Å; T531-A535 WeakPolarHBondContact O-CB 3.35Å; T531-A535 PolarHBondContact O-N 3.1Å
532S39.3Very low38.3Very low66 Ų6687.3 Ų87.346%0.46249%0.486SS..Hα-helixtrans-63.6-39.7173.7-61.60000111.8T528 Y530 A535 T536T528-S532 VanDerWaalsContact O-CB 3.23Å; T528-S532 WeakPolarHBondContact O-CB 3.44Å; T528-S532 PolarHBondContact O-N 3.44Å; T528-S532 PolarHBondContact O-OG 3.35Å; Y530-S532 PolarHBondContact O-N 3.21Å; S532-A535 PolarHBondContact O-N 3.48Å; S532-T536 WeakPolarHBondContact O-CG2 3.35Å; S532-T536 PolarHBondContact O-N 3.27Å; S532-T536 PolarHBondContact O-OG1 3.3Å
533W42.1Very low38.4Very low68 Ų6892.5 Ų92.526%0.25850%0.503SS..Hα-helixtrans-67.1-46.8177.1178.277.1000112.2L529 Y530 T531 A535 T536 Q537 M587L529-W533 WeakPolarHBondContact O-CB 3.37Å; L529-W533 PolarHBondContact O-N 3.1Å; Y530-W533 PolarHBondContact O-N 2.88Å; T531-W533 VanDerWaalsContact C-N 3.33Å; W533-A535 VanDerWaalsContact C-N 3.3Å; W533-A535 PolarHBondContact O-N 2.96Å; W533-T536 WeakPolarHBondContact CA-OG1 3.46Å; W533-T536 PolarHBondContact O-N 2.93Å; W533-T536 VanDerWaalsContact O-N 3.09Å; W533-T536 PolarHBondContact O-OG1 2.65Å; W533-Q537 HydrophobicContact CD2-CG 4.46Å; W533-Q537 HydrophobicContact CZ2-CG 4.11Å; W533-Q537 WeakPolarHBondContact O-CG 3.44Å; W533-Q537 PolarHBondContact O-N 3.49Å; W533-Q537 VanDerWaalsContact O-N 3.16Å; W533-M587 HydrophobicContact CD2-CE 4.38Å; W533-M587 HydrophobicContact CD2-SD 3.87Å; W533-M587 HydrophobicContact CE3-CE 4.36Å; W533-M587 HydrophobicContact CE3-SD 4.43Å; W533-M587 HydrophobicContact CG-SD 4.4Å; W533-M587 HydrophobicContact CH2-CE 3.88Å; W533-M587 HydrophobicContact CH2-SD 4.07Å; W533-M587 HydrophobicContact CZ2-CE 3.85Å; W533-M587 HydrophobicContact CZ2-CG 3.97Å; W533-M587 HydrophobicContact CZ2-SD 3.41Å; W533-M587 WeakPolarHBondContact CZ2-SD 3.16Å; W533-M587 HydrophobicContact CZ3-CE 4.12Å; W533-M587 PolarHBondContact NE1-SD 3.35Å
534I41.2Very low38.6Very low66 Ų6688.9 Ų88.934%0.33849%0.489SS..Hα-helixtrans-55-47173.2-70.6-81.7000110.6Y530 T531 T536 Q537 T538Y530-I534 HydrophobicContact CD1-CG1 4.4Å; Y530-I534 HydrophobicContact CE1-CD1 4.48Å; Y530-I534 HydrophobicContact CE1-CG1 3.95Å; Y530-I534 HydrophobicContact CE2-CD1 4.47Å; Y530-I534 HydrophobicContact CE2-CG1 4.3Å; Y530-I534 WeakPolarHBondContact O-CG1 3.35Å; Y530-I534 PolarHBondContact O-N 3.14Å; T531-I534 PolarHBondContact O-N 3Å; I534-T536 VanDerWaalsContact C-N 3.27Å; I534-T536 PolarHBondContact O-N 3.18Å; I534-Q537 PolarHBondContact O-N 3.02Å; I534-T538 HydrophobicContact CG2-CG2 4.35Å; I534-T538 PolarHBondContact O-N 3.33Å; I534-T538 PolarHBondContact O-OG1 3.4Å
535A43.2Very low38.6Very low53 Ų5394.4 Ų94.444%0.43851%0.509SS..Hα-helixtrans-62.2-32.3179.100000113.1T531 S532 W533 T538 S539T531-A535 WeakPolarHBondContact O-CB 3.35Å; T531-A535 PolarHBondContact O-N 3.1Å; S532-A535 PolarHBondContact O-N 3.48Å; W533-A535 VanDerWaalsContact C-N 3.3Å; W533-A535 PolarHBondContact O-N 2.96Å; A535-T538 WeakPolarHBondContact CA-OG1 3.17Å; A535-T538 PolarHBondContact O-OG1 3.46Å; A535-S539 WeakPolarHBondContact O-CB 3.23Å; A535-S539 PolarHBondContact O-N 3.44Å
536T38.6Very low38.8Very low88 Ų8897.5 Ų97.554%0.5452%0.522SS..Hα-helixtrans-72.9-25.9174.255.40000113.7S532 W533 I534S532-T536 WeakPolarHBondContact O-CG2 3.35Å; S532-T536 PolarHBondContact O-N 3.27Å; S532-T536 PolarHBondContact O-OG1 3.3Å; W533-T536 WeakPolarHBondContact CA-OG1 3.46Å; W533-T536 PolarHBondContact O-N 2.93Å; W533-T536 VanDerWaalsContact O-N 3.09Å; W533-T536 PolarHBondContact O-OG1 2.65Å; I534-T536 VanDerWaalsContact C-N 3.27Å; I534-T536 PolarHBondContact O-N 3.18Å
537Q38.1Very low38.8Very low123 Ų12398.3 Ų98.358%0.57552%0.52SS*.Hα-helixtrans-85.3-29.5177.6-61.6-61.1-41.400112.4W533 I534W533-Q537 HydrophobicContact CD2-CG 4.46Å; W533-Q537 HydrophobicContact CZ2-CG 4.11Å; W533-Q537 WeakPolarHBondContact O-CG 3.44Å; W533-Q537 PolarHBondContact O-N 3.49Å; W533-Q537 VanDerWaalsContact O-N 3.16Å; I534-Q537 PolarHBondContact O-N 3.02Å
538T36.4Very low38.8Very low60 Ų6096.3 Ų96.337%0.36851%0.513SS..Hα-helixtrans-84.2-16.7178.354.60000113.6I534 A535 E540 V541I534-T538 HydrophobicContact CG2-CG2 4.35Å; I534-T538 PolarHBondContact O-N 3.33Å; I534-T538 PolarHBondContact O-OG1 3.4Å; A535-T538 WeakPolarHBondContact CA-OG1 3.17Å; A535-T538 PolarHBondContact O-OG1 3.46Å; T538-E540 PolarHBondContact O-N 3.14Å; T538-V541 PolarHBondContact O-N 3.28Å
539S36.9Very low38.7Very low103 Ų10397 Ų9772%0.7252%0.52SS*.THydrogen-bonded Turntrans-68.2-9.8-179.9-177.20000114.8A535A535-S539 WeakPolarHBondContact O-CB 3.23Å; A535-S539 PolarHBondContact O-N 3.44Å
540E39.4Very low38.9Very low179 Ų17996.9 Ų96.984%0.83652%0.519SS*.THydrogen-bonded Turntrans-98.8-11.1176.6-72.9-171160.600113.8T538T538-E540 PolarHBondContact O-N 3.14Å
541V37Very low38.7Very low105 Ų10595.6 Ų95.664%0.63652%0.517SS*.SBendtrans-15490.1-173.7-170.10000110.9T538T538-V541 PolarHBondContact O-N 3.28Å
542C31.2Very low38.6Very low58 Ų5897.5 Ų97.539%0.39253%0.525SS..  trans157.7141.4143.2-94.30000115.2D547 I551C542-D547 HydrophobicContact CB-CB 4.43Å; C542-I551 WeakPolarHBondContact SG-CD1 3.28Å
543H36.4Very low38.8Very low190 Ų19096.2 Ų96.288%0.8852%0.522SS*.SBendtrans-118.649.5-177.5-76-62.6000112.4D547H543-D547 VanDerWaalsContact C-OD2 3.29Å
544S41.8Very low38.8Very low51 Ų5197 Ų9736%0.35753%0.534SS..  trans169.9159.8156.561.70000111.5E546 D547 Q548S544-E546 PolarHBondContact O-N 3.02Å; S544-D547 PolarHBondContact N-OD2 2.87Å; S544-D547 PolarHBondContact O-N 3.2Å; S544-D547 PolarHBondContact OG-N 2.66Å; S544-D547 VanDerWaalsContact OG-N 3.11Å; S544-D547 PolarHBondContact OG-OD2 2.65Å; S544-Q548 PolarHBondContact O-N 2.78Å
545F36.3Very low38.6Very low191 Ų19198.2 Ų98.284%0.83854%0.541SS*.Hα-helixtrans-67.4-21.6173.3-140.6-96.6000112.5
546E41Very low38.4Very low151 Ų15198 Ų9871%0.70654%0.539SS*.Hα-helixtrans-76-36.3172.8-74.2173.7152.700111.5S544 Q548 C549 I550S544-E546 PolarHBondContact O-N 3.02Å; E546-Q548 VanDerWaalsContact C-N 3.26Å; E546-Q548 PolarHBondContact O-N 3.35Å; E546-C549 PolarHBondContact O-N 2.91Å; E546-I550 WeakPolarHBondContact O-CD1 3.29Å; E546-I550 VanDerWaalsContact O-CG1 3.28Å; E546-I550 WeakPolarHBondContact O-CG1 3.48Å; E546-I550 PolarHBondContact O-N 3.47Å; E546-I550 VanDerWaalsContact O-N 3.14Å
547D38Very low38.6Very low58 Ų58101.7 Ų101.731%0.3155%0.548SS..Hα-helixtrans-65.5-29.7175-65.4-38.6000112.4C542 H543 S544 I550 I551C542-D547 HydrophobicContact CB-CB 4.43Å; H543-D547 VanDerWaalsContact C-OD2 3.29Å; S544-D547 PolarHBondContact N-OD2 2.87Å; S544-D547 PolarHBondContact O-N 3.2Å; S544-D547 PolarHBondContact OG-N 2.66Å; S544-D547 VanDerWaalsContact OG-N 3.11Å; S544-D547 PolarHBondContact OG-OD2 2.65Å; D547-I550 PolarHBondContact O-N 2.8Å; D547-I551 VanDerWaalsContact O-CG1 3.3Å; D547-I551 WeakPolarHBondContact O-CG1 3.28Å; D547-I551 PolarHBondContact O-N 3.2Å
548Q38.1Very low38.7Very low84 Ų8499.3 Ų99.339%0.39354%0.544SS..Hα-helixtrans-62.7-44.5174.9-159.973.937.600111.7S544 E546 D552S544-Q548 PolarHBondContact O-N 2.78Å; E546-Q548 VanDerWaalsContact C-N 3.26Å; E546-Q548 PolarHBondContact O-N 3.35Å; Q548-D552 PolarHBondContact O-N 2.96Å
549C38Very low38.8Very low91 Ų91101.7 Ų101.762%0.61556%0.555SS**Hα-helixtrans-72.1-31.2177.4-71.10000113E546 G553E546-C549 PolarHBondContact O-N 2.91Å; C549-G553 PolarHBondContact O-N 2.84Å; C549-G553 VanDerWaalsContact O-N 3.13Å
550I40.6Very low38.8Very low100 Ų100100.1 Ų100.151%0.51355%0.548SS..Hα-helixtrans-71.3-39.1177.8-67.2165.8000110.5E546 D547 G553 V554E546-I550 WeakPolarHBondContact O-CD1 3.29Å; E546-I550 VanDerWaalsContact O-CG1 3.28Å; E546-I550 WeakPolarHBondContact O-CG1 3.48Å; E546-I550 PolarHBondContact O-N 3.47Å; E546-I550 VanDerWaalsContact O-N 3.14Å; D547-I550 PolarHBondContact O-N 2.8Å; I550-G553 PolarHBondContact O-N 3.11Å; I550-V554 HydrophobicContact CG2-CG2 4.15Å; I550-V554 WeakPolarHBondContact O-CB 3.47Å; I550-V554 WeakPolarHBondContact O-CG2 3.26Å; I550-V554 PolarHBondContact O-N 3Å
551I38.2Very low38.9Very low64 Ų6499.7 Ų99.733%0.32855%0.546SS..Hα-helixtrans-66.5-42.9177.1-72.2171.4000111.3C542 D547 G553 V554 L555C542-I551 WeakPolarHBondContact SG-CD1 3.28Å; D547-I551 VanDerWaalsContact O-CG1 3.3Å; D547-I551 WeakPolarHBondContact O-CG1 3.28Å; D547-I551 PolarHBondContact O-N 3.2Å; I551-G553 VanDerWaalsContact C-N 3.31Å; I551-G553 PolarHBondContact O-N 2.89Å; I551-V554 PolarHBondContact O-N 3.09Å; I551-L555 HydrophobicContact CG2-CD1 3.67Å; I551-L555 WeakPolarHBondContact O-CB 3.46Å; I551-L555 PolarHBondContact O-N 2.9Å
552D38.7Very low39.2Very low99 Ų99100.5 Ų100.553%0.52955%0.551SS.*Hα-helixtrans-62.6-37.9175.7-71.9-18.6000111.8Q548 A556Q548-D552 PolarHBondContact O-N 2.96Å; D552-A556 VanDerWaalsContact O-CB 3.26Å; D552-A556 WeakPolarHBondContact O-CB 3.43Å; D552-A556 PolarHBondContact O-N 3.09Å; D552-A556 VanDerWaalsContact O-N 3.1Å
553G43.4Very low39.2Very low38 Ų38105.4 Ų105.439%0.39257%0.568SS.*Hα-helixtrans-74-34.7176.300000114.9C549 I550 I551 K557C549-G553 PolarHBondContact O-N 2.84Å; C549-G553 VanDerWaalsContact O-N 3.13Å; I550-G553 PolarHBondContact O-N 3.11Å; I551-G553 VanDerWaalsContact C-N 3.31Å; I551-G553 PolarHBondContact O-N 2.89Å; G553-K557 PolarHBondContact O-N 3.31Å
554V41.6Very low39.1Very low85 Ų85103.9 Ų103.952%0.51557%0.566SS.*Hα-helixtrans-76-37.9177.8171.40000110.9I550 I551 K557 S558I550-V554 HydrophobicContact CG2-CG2 4.15Å; I550-V554 WeakPolarHBondContact O-CB 3.47Å; I550-V554 WeakPolarHBondContact O-CG2 3.26Å; I550-V554 PolarHBondContact O-N 3Å; I551-V554 PolarHBondContact O-N 3.09Å; V554-K557 PolarHBondContact O-N 3.27Å; V554-S558 WeakPolarHBondContact O-CB 3.5Å; V554-S558 PolarHBondContact O-N 2.84Å; V554-S558 PolarHBondContact O-OG 3.37Å
555L36.6Very low38.7Very low92 Ų92108.7 Ų108.748%0.48258%0.583SS.*Hα-helixtrans-65.9-40.3171.8-83.9159.7000112.1I551 K557 S558 L559I551-L555 HydrophobicContact CG2-CD1 3.67Å; I551-L555 WeakPolarHBondContact O-CB 3.46Å; I551-L555 PolarHBondContact O-N 2.9Å; L555-K557 PolarHBondContact O-N 2.99Å; L555-S558 PolarHBondContact O-N 3.09Å; L555-L559 PolarHBondContact O-N 3.5Å; L555-L559 VanDerWaalsContact O-N 3.14Å
556A40.8Very low38.5Very low48 Ų48106.6 Ų106.640%0.39758%0.581SS.*Hα-helixtrans-63.1-37.7175.700000112.9D552 A560D552-A556 VanDerWaalsContact O-CB 3.26Å; D552-A556 WeakPolarHBondContact O-CB 3.43Å; D552-A556 PolarHBondContact O-N 3.09Å; D552-A556 VanDerWaalsContact O-N 3.1Å; A556-A560 PolarHBondContact O-N 3.3Å
557K42.7Very low38Very low165 Ų165106.6 Ų106.672%0.71759%0.585SS**Hα-helixtrans-70.3-38.4173.7-91.8178.6174176.20113.1G553 V554 L555 L559 A560G553-K557 PolarHBondContact O-N 3.31Å; V554-K557 PolarHBondContact O-N 3.27Å; L555-K557 PolarHBondContact O-N 2.99Å; K557-L559 PolarHBondContact O-N 2.87Å; K557-A560 PolarHBondContact O-N 2.92Å
558S40.1Very low37.7Very low73 Ų73110.3 Ų110.351%0.5160%0.603SS.*Hα-helixtrans-68.3-23.4179.9-50.80000113.1V554 L555V554-S558 WeakPolarHBondContact O-CB 3.5Å; V554-S558 PolarHBondContact O-N 2.84Å; V554-S558 PolarHBondContact O-OG 3.37Å; L555-S558 PolarHBondContact O-N 3.09Å
559L36.7Very low37.4Very low111 Ų111116.4 Ų116.458%0.58163%0.628SS**Hα-helixtrans-96-12.1178.8-76.3160.7000113.5L555 K557 E561L555-L559 PolarHBondContact O-N 3.5Å; L555-L559 VanDerWaalsContact O-N 3.14Å; K557-L559 PolarHBondContact O-N 2.87Å; L559-E561 VanDerWaalsContact C-N 3.35Å
560A38.5Very low37.1Very low70 Ų70116.7 Ų116.758%0.57963%0.627SS**THydrogen-bonded Turntrans-83.2-8.8176.700000113.5A556 K557 V562A556-A560 PolarHBondContact O-N 3.3Å; K557-A560 PolarHBondContact O-N 2.92Å; A560-V562 VanDerWaalsContact C-N 3.31Å
561E41.1Very low36.9Very low169 Ų169116.1 Ų116.179%0.7963%0.625SS**THydrogen-bonded Turntrans-87.97.6179.6-67-177.6170.700113.7L559L559-E561 VanDerWaalsContact C-N 3.35Å
562V42.2Very low36.6Very low123 Ų123118.2 Ų118.275%0.74564%0.643SS**SBendtrans-115.275.4174-171.20000108.5A560A560-V562 VanDerWaalsContact C-N 3.31Å
563E31.3Very low36.7Very low161 Ų161123 Ų12375%0.75265%0.653SS**  trans-64.4127.8171.6-67.1176.4153.100110.2
564D36Very low36.4Very low157 Ų157123.1 Ų123.184%0.8465%0.651SS**  trans-116116.3135.9-154.9-8.3000106.6N566D564-N566 PolarHBondContact O-N 3.27Å
565E33.3Very low36.2Very low152 Ų152122.9 Ų122.971%0.7165%0.646SS**  trans-6791.9178.5-67.6-168158.500108.2
566N31.9Very low37.1Very low148 Ų148121 Ų12179%0.79164%0.641SS**  trans174.7131.6146-87.5-44.9000110D564D564-N566 PolarHBondContact O-N 3.27Å
567L29.8Very low37.6Very low150 Ų150120.9 Ų120.979%0.78564%0.637SS**  trans79.7120.1162.5-94.679.3000119.3
568I32.7Very low38.3Very low136 Ų136120.8 Ų120.870%0.69764%0.637SS**  trans93.9114.4149.4-53.8154.7000115.9V570I568-V570 HydrophobicContact CG2-CG2 4.42Å; I568-V570 PolarHBondContact O-N 3.12Å
569K30.3Very low39.1Very low213 Ų213121.7 Ų121.793%0.92664%0.635SS**  trans-61102.3162.6-73.8177.7174.9179.70108.3
570V32.2Very low40.5Very low96 Ų96119.5 Ų119.558%0.58262%0.621SS**  trans-85.3126.7178.7-179.40000109.8I568 A574I568-V570 HydrophobicContact CG2-CG2 4.42Å; I568-V570 PolarHBondContact O-N 3.12Å; V570-A574 HydrophobicContact CG1-CB 3.72Å
571D36.1Very low42.2Very low88 Ų88116.9 Ų116.947%0.47160%0.597SS.*  trans-59.5131.5173.4-176.8-14.1000110.2R573 A574D571-R573 PolarHBondContact O-N 2.83Å; D571-R573 WeakPolarHBondContact OD1-CB 3.49Å; D571-R573 WeakPolarHBondContact OD1-CG 3.3Å; D571-R573 PolarHBondContact OD1-N 3.36Å; D571-A574 VanDerWaalsContact O-CB 3.28Å; D571-A574 WeakPolarHBondContact O-CB 3.39Å; D571-A574 PolarHBondContact O-N 3.4Å
572P33.3Very low43.5Very low108 Ų108115.1 Ų115.170%0.70159%0.589SS**Hα-helixtrans-50.3-24.8172.3-26.732.8000114.7A574P572-A574 VanDerWaalsContact C-N 3.31Å
573R39.5Very low44.6Very low199 Ų199111.2 Ų111.275%0.75157%0.567SS**Hα-helixtrans-70.4-24174-63.8176179.5-177.70.1113.5D571 S576 S577D571-R573 PolarHBondContact O-N 2.83Å; D571-R573 WeakPolarHBondContact OD1-CB 3.49Å; D571-R573 WeakPolarHBondContact OD1-CG 3.3Å; D571-R573 PolarHBondContact OD1-N 3.36Å; R573-S576 WeakPolarHBondContact O-CB 3.43Å; R573-S576 PolarHBondContact O-N 3.48Å; R573-S577 PolarHBondContact O-OG 2.94Å
574A38.4Very low46.3Very low42 Ų42105.5 Ų105.535%0.34754%0.542SS..Hα-helixtrans-78.4-21.7179.500000113.5V570 D571 P572 S576 S577 K578V570-A574 HydrophobicContact CG1-CB 3.72Å; D571-A574 VanDerWaalsContact O-CB 3.28Å; D571-A574 WeakPolarHBondContact O-CB 3.39Å; D571-A574 PolarHBondContact O-N 3.4Å; P572-A574 VanDerWaalsContact C-N 3.31Å; A574-S576 VanDerWaalsContact C-N 3.28Å; A574-S576 PolarHBondContact O-N 3.34Å; A574-S577 PolarHBondContact O-N 2.94Å; A574-K578 PolarHBondContact O-N 3.01Å
575L35.8Very low48.2Very low79 Ų79100.6 Ų100.641%0.41452%0.515SS..Hα-helixtrans-63.9-36.1171.8-102.9107.2000111.5S577 K578 L579L575-S577 VanDerWaalsContact C-N 3.32Å; L575-S577 PolarHBondContact O-N 3.37Å; L575-K578 PolarHBondContact O-N 3.32Å; L575-L579 WeakPolarHBondContact O-CG 3.38Å; L575-L579 PolarHBondContact O-N 3.43Å; L575-L579 VanDerWaalsContact O-N 3.1Å
576S56.6Low50Low54 Ų54102.1 Ų102.138%0.37852%0.519SS..Hα-helixtrans-60.9-43.1174.3-176.70000111.1R573 A574 K578 L579 K580R573-S576 WeakPolarHBondContact O-CB 3.43Å; R573-S576 PolarHBondContact O-N 3.48Å; A574-S576 VanDerWaalsContact C-N 3.28Å; A574-S576 PolarHBondContact O-N 3.34Å; S576-K578 PolarHBondContact O-N 3.32Å; S576-L579 PolarHBondContact O-N 2.87Å; S576-K580 WeakPolarHBondContact O-CB 3.48Å; S576-K580 WeakPolarHBondContact O-CG 3.42Å; S576-K580 PolarHBondContact O-N 3.1Å; S576-K580 WeakPolarHBondContact OG-CE 3.46Å
577S51.3Low51.4Low44 Ų4498.5 Ų98.531%0.30850%0.498SS..Hα-helixtrans-63.6-42.8-179-37.90000112.1R573 A574 L575 K580 L581 F600R573-S577 PolarHBondContact O-OG 2.94Å; A574-S577 PolarHBondContact O-N 2.94Å; L575-S577 VanDerWaalsContact C-N 3.32Å; L575-S577 PolarHBondContact O-N 3.37Å; S577-K580 PolarHBondContact O-N 2.83Å; S577-L581 WeakPolarHBondContact O-CB 3.44Å; S577-L581 PolarHBondContact O-N 2.9Å; S577-F600 VanDerWaalsContact O-CE1 3.27Å; S577-F600 WeakPolarHBondContact O-CE1 3.19Å; S577-F600 WeakPolarHBondContact O-CZ 3.44Å
578K57.1Low53.6Low164 Ų16495.6 Ų95.671%0.71348%0.48SS*.Hα-helixtrans-67.7-38.6178.3-164.6173.3-178.4177.30112.3A574 L575 S576 Q582A574-K578 PolarHBondContact O-N 3.01Å; L575-K578 PolarHBondContact O-N 3.32Å; S576-K578 PolarHBondContact O-N 3.32Å; K578-Q582 WeakPolarHBondContact O-CB 3.4Å; K578-Q582 PolarHBondContact O-N 2.72Å
579L56.9Low55.6Low92 Ų9294.5 Ų94.548%0.48248%0.481SS..Hα-helixtrans-68.2-38.8174.6-72.7169.1000112.5L575 S576 S583L575-L579 WeakPolarHBondContact O-CG 3.38Å; L575-L579 PolarHBondContact O-N 3.43Å; L575-L579 VanDerWaalsContact O-N 3.1Å; S576-L579 PolarHBondContact O-N 2.87Å; L579-S583 WeakPolarHBondContact O-CB 3.33Å; L579-S583 PolarHBondContact O-N 2.84Å; L579-S583 PolarHBondContact O-OG 3.06Å
580K65.6Low57.5Low65 Ų6589.7 Ų89.728%0.28347%0.474SS..Hα-helixtrans-62.7-46.9173.7-75.3170176.4-175.60111.3S576 S577 S583 L584 F600S576-K580 WeakPolarHBondContact O-CB 3.48Å; S576-K580 WeakPolarHBondContact O-CG 3.42Å; S576-K580 PolarHBondContact O-N 3.1Å; S576-K580 WeakPolarHBondContact OG-CE 3.46Å; S577-K580 PolarHBondContact O-N 2.83Å; K580-S583 WeakPolarHBondContact O-CB 3.36Å; K580-S583 PolarHBondContact O-N 3.13Å; K580-L584 PolarHBondContact O-N 3.29Å; K580-F600 HydrophobicContact CB-CE2 3.52Å; K580-F600 HydrophobicContact CB-CZ 3.59Å; K580-F600 HydrophobicContact CD-CE2 4.14Å; K580-F600 HydrophobicContact CD-CZ 4.07Å; K580-F600 HydrophobicContact CG-CE2 4.47Å
581L74.5Confident59.6Low15 Ų1588.4 Ų88.48%0.07946%0.464CS..Hα-helixtrans-62.2-44.9176.8179.664.4000111.8S577 S583 L584 L585 E597 F600S577-L581 WeakPolarHBondContact O-CB 3.44Å; S577-L581 PolarHBondContact O-N 2.9Å; L581-S583 VanDerWaalsContact C-N 3.26Å; L581-S583 PolarHBondContact O-N 2.82Å; L581-L584 WeakPolarHBondContact O-CB 3.28Å; L581-L584 PolarHBondContact O-N 3.47Å; L581-L584 VanDerWaalsContact O-N 3.15Å; L581-L585 HydrophobicContact CD1-CG 4.49Å; L581-L585 HydrophobicContact CG-CD1 4.19Å; L581-L585 WeakPolarHBondContact O-CG 3.35Å; L581-L585 PolarHBondContact O-N 3.23Å; L581-E597 HydrophobicContact CD1-CB 4.45Å; L581-E597 HydrophobicContact CD1-CG 3.72Å; L581-E597 HydrophobicContact CD2-CG 3.8Å; L581-E597 HydrophobicContact CG-CG 4.28Å; L581-F600 HydrophobicContact CB-CD1 4.09Å; L581-F600 HydrophobicContact CB-CE1 4.15Å; L581-F600 HydrophobicContact CB-CG 4.44Å; L581-F600 HydrophobicContact CD1-CB 4.03Å; L581-F600 HydrophobicContact CD1-CD1 4.22Å; L581-F600 HydrophobicContact CD1-CG 4.12Å
582Q68.2Low61.8Low131 Ų13188.8 Ų88.861%0.61247%0.466SS*.Hα-helixtrans-63.8-34.1177.9-164.8179.39.100112.3K578 K586K578-Q582 WeakPolarHBondContact O-CB 3.4Å; K578-Q582 PolarHBondContact O-N 2.72Å; Q582-K586 WeakPolarHBondContact O-CB 3.05Å; Q582-K586 PolarHBondContact O-N 3.13Å; Q582-K586 VanDerWaalsContact O-N 3.14Å
583S65.9Low63.9Low41 Ų4186 Ų8629%0.28745%0.448SS..Hα-helixtrans-68-41.8172.7-63.40000112.1L579 K580 L581 K586 M587L579-S583 WeakPolarHBondContact O-CB 3.33Å; L579-S583 PolarHBondContact O-N 2.84Å; L579-S583 PolarHBondContact O-OG 3.06Å; K580-S583 WeakPolarHBondContact O-CB 3.36Å; K580-S583 PolarHBondContact O-N 3.13Å; L581-S583 VanDerWaalsContact C-N 3.26Å; L581-S583 PolarHBondContact O-N 2.82Å; S583-K586 PolarHBondContact O-N 3.05Å; S583-M587 WeakPolarHBondContact O-CB 3.2Å; S583-M587 WeakPolarHBondContact O-CE 3.49Å; S583-M587 WeakPolarHBondContact O-CG 3.18Å; S583-M587 PolarHBondContact O-N 3.07Å
584L66.8Low65.8Low42 Ų4281.5 Ų81.522%0.2244%0.439CS..Hα-helixtrans-59.1-49.4173.9-99.8147.9000111.9K580 L581 K586 M587 F588 L596 F600K580-L584 PolarHBondContact O-N 3.29Å; L581-L584 WeakPolarHBondContact O-CB 3.28Å; L581-L584 PolarHBondContact O-N 3.47Å; L581-L584 VanDerWaalsContact O-N 3.15Å; L584-K586 PolarHBondContact O-N 3.46Å; L584-M587 PolarHBondContact O-N 3.03Å; L584-F588 HydrophobicContact CD2-CD2 4.04Å; L584-F588 HydrophobicContact CD2-CE2 4.05Å; L584-F588 WeakPolarHBondContact O-CD2 3.49Å; L584-F588 PolarHBondContact O-N 3.24Å; L584-L596 HydrophobicContact CD2-CD2 3.72Å; L584-F600 HydrophobicContact CD1-CD2 3.52Å; L584-F600 HydrophobicContact CD1-CE2 4.13Å; L584-F600 HydrophobicContact CD1-CG 4.4Å
585L76.7Confident67.7Low54 Ų5484.1 Ų84.128%0.28344%0.443SS..Hα-helixtrans-61.1-32.5177-69.6169.4000112.5L581 S593 L596L581-L585 HydrophobicContact CD1-CG 4.49Å; L581-L585 HydrophobicContact CG-CD1 4.19Å; L581-L585 WeakPolarHBondContact O-CG 3.35Å; L581-L585 PolarHBondContact O-N 3.23Å; L585-S593 WeakPolarHBondContact CD2-OG 3.39Å; L585-L596 HydrophobicContact CD2-CB 4.28Å; L585-L596 HydrophobicContact CD2-CD1 4.05Å
586K71.3Confident69.3Low183 Ų18380.6 Ų80.680%0.79643%0.425SS*.Hα-helixtrans-77.9-33.8177.3-168.1178.6179.8-175.10113.1Q582 S583 L584Q582-K586 WeakPolarHBondContact O-CB 3.05Å; Q582-K586 PolarHBondContact O-N 3.13Å; Q582-K586 VanDerWaalsContact O-N 3.14Å; S583-K586 PolarHBondContact O-N 3.05Å; L584-K586 PolarHBondContact O-N 3.46Å
587M59.9Low70.3Confident72 Ų7281.2 Ų81.236%0.35542%0.422SS..Hα-helixtrans-74.5-31.7178.2-77.3-172.8-76.100112.8W533 S583 L584 P589W533-M587 HydrophobicContact CD2-CE 4.38Å; W533-M587 HydrophobicContact CD2-SD 3.87Å; W533-M587 HydrophobicContact CE3-CE 4.36Å; W533-M587 HydrophobicContact CE3-SD 4.43Å; W533-M587 HydrophobicContact CG-SD 4.4Å; W533-M587 HydrophobicContact CH2-CE 3.88Å; W533-M587 HydrophobicContact CH2-SD 4.07Å; W533-M587 HydrophobicContact CZ2-CE 3.85Å; W533-M587 HydrophobicContact CZ2-CG 3.97Å; W533-M587 HydrophobicContact CZ2-SD 3.41Å; W533-M587 WeakPolarHBondContact CZ2-SD 3.16Å; W533-M587 HydrophobicContact CZ3-CE 4.12Å; W533-M587 PolarHBondContact NE1-SD 3.35Å; S583-M587 WeakPolarHBondContact O-CB 3.2Å; S583-M587 WeakPolarHBondContact O-CE 3.49Å; S583-M587 WeakPolarHBondContact O-CG 3.18Å; S583-M587 PolarHBondContact O-N 3.07Å; L584-M587 PolarHBondContact O-N 3.03Å; M587-P589 WeakPolarHBondContact O-CD 3.1Å
588F76.5Confident71.4Confident90 Ų9083.8 Ų83.840%0.39543%0.432SS..  trans-123.663.4-175.4-59.1-77000112.2L584 S590 I591 L596L584-F588 HydrophobicContact CD2-CD2 4.04Å; L584-F588 HydrophobicContact CD2-CE2 4.05Å; L584-F588 WeakPolarHBondContact O-CD2 3.49Å; L584-F588 PolarHBondContact O-N 3.24Å; F588-S590 PolarHBondContact O-N 2.98Å; F588-I591 HydrophobicContact CB-CB 4.21Å; F588-I591 HydrophobicContact CB-CD1 3.71Å; F588-I591 HydrophobicContact CB-CG1 3.94Å; F588-I591 HydrophobicContact CD1-CD1 3.82Å; F588-I591 HydrophobicContact CG-CD1 3.86Å; F588-I591 PolarHBondContact O-N 3.4Å; F588-I591 VanDerWaalsContact O-N 3.1Å; F588-L596 HydrophobicContact CB-CD1 4.04Å
589P74.7Confident72.1Confident112 Ų11279.4 Ų79.473%0.72742%0.416SS*.THydrogen-bonded Turntrans-65.4-10.7-177.228.4-35.8000113.7M587M587-P589 WeakPolarHBondContact O-CD 3.1Å
590S70.7Confident72.9Confident112 Ų11276 Ų7678%0.78340%0.397SS*.THydrogen-bonded Turntrans-96-6.3178.958.40000114.3F588F588-S590 PolarHBondContact O-N 2.98Å
591I76.5Confident73.2Confident69 Ų6980.6 Ų80.635%0.35441%0.414SS..SBendtrans-96.7144177.6-58.1-179.6000108.4F588 S593 F595 L596F588-I591 HydrophobicContact CB-CB 4.21Å; F588-I591 HydrophobicContact CB-CD1 3.71Å; F588-I591 HydrophobicContact CB-CG1 3.94Å; F588-I591 HydrophobicContact CD1-CD1 3.82Å; F588-I591 HydrophobicContact CG-CD1 3.86Å; F588-I591 PolarHBondContact O-N 3.4Å; F588-I591 VanDerWaalsContact O-N 3.1Å; I591-S593 PolarHBondContact O-N 3.47Å; I591-F595 HydrophobicContact CG2-CD1 3.69Å; I591-F595 HydrophobicContact CG2-CE1 4.39Å; I591-L596 HydrophobicContact CB-CD1 3.84Å; I591-L596 HydrophobicContact CB-CG 4.12Å; I591-L596 HydrophobicContact CG2-CD1 3.98Å; I591-L596 HydrophobicContact CG2-CD2 4.33Å; I591-L596 HydrophobicContact CG2-CG 3.69Å
592D82.5Confident72.9Confident97 Ų9787.5 Ų87.552%0.51945%0.446SS..  trans-57.2133.5176.8-179.874000111.8D594 F595 L596D592-D594 VanDerWaalsContact C-N 3.34Å; D592-D594 PolarHBondContact O-N 2.92Å; D592-D594 WeakPolarHBondContact OD2-CB 3.47Å; D592-D594 PolarHBondContact OD2-N 2.94Å; D592-D594 VanDerWaalsContact OD2-N 3.12Å; D592-F595 HydrophobicContact CB-CB 4.04Å; D592-F595 PolarHBondContact O-N 3.21Å; D592-F595 PolarHBondContact OD2-N 3.36Å; D592-L596 PolarHBondContact O-N 3.41Å
593S75.9Confident72.2Confident48 Ų4887 Ų8734%0.33645%0.448SS..Hα-helixtrans-64.5-40.8-175-167.20000111.3L585 I591 F595 L596 E597L585-S593 WeakPolarHBondContact CD2-OG 3.39Å; I591-S593 PolarHBondContact O-N 3.47Å; S593-F595 VanDerWaalsContact C-N 3.34Å; S593-L596 PolarHBondContact O-N 3.08Å; S593-E597 WeakPolarHBondContact O-CB 2.87Å; S593-E597 WeakPolarHBondContact O-CG 3.46Å; S593-E597 PolarHBondContact O-N 2.92Å
594D79.6Confident71.4Confident105 Ų10589.4 Ų89.456%0.56148%0.479SS*.Hα-helixtrans-69.4-36.5-178.6-60.8-18.5000110.2D592 N598D592-D594 VanDerWaalsContact C-N 3.34Å; D592-D594 PolarHBondContact O-N 2.92Å; D592-D594 WeakPolarHBondContact OD2-CB 3.47Å; D592-D594 PolarHBondContact OD2-N 2.94Å; D592-D594 VanDerWaalsContact OD2-N 3.12Å; D594-N598 WeakPolarHBondContact O-CB 3.42Å; D594-N598 VanDerWaalsContact O-CG 3.23Å; D594-N598 PolarHBondContact O-N 3.39Å; D594-N598 PolarHBondContact O-ND2 3.11Å
595F78.2Confident71.6Confident97 Ų9791.8 Ų91.843%0.42549%0.492SS..Hα-helixtrans-63.2-46.2172.6-179.6-98.6000112.7I591 D592 S593 N598 L599I591-F595 HydrophobicContact CG2-CD1 3.69Å; I591-F595 HydrophobicContact CG2-CE1 4.39Å; D592-F595 HydrophobicContact CB-CB 4.04Å; D592-F595 PolarHBondContact O-N 3.21Å; D592-F595 PolarHBondContact OD2-N 3.36Å; S593-F595 VanDerWaalsContact C-N 3.34Å; F595-N598 PolarHBondContact O-N 2.9Å; F595-L599 HydrophobicContact CE1-CD2 4.37Å; F595-L599 VanDerWaalsContact O-CB 3.26Å; F595-L599 WeakPolarHBondContact O-CB 3.36Å; F595-L599 PolarHBondContact O-N 3.41Å
596L70.5Confident71.3Confident5 Ų593.8 Ų93.83%0.02650%0.503CS..Hα-helixtrans-65.4-38.7178.2-85168.2000112.5L584 L585 F588 I591 D592 S593 F600L584-L596 HydrophobicContact CD2-CD2 3.72Å; L585-L596 HydrophobicContact CD2-CB 4.28Å; L585-L596 HydrophobicContact CD2-CD1 4.05Å; F588-L596 HydrophobicContact CB-CD1 4.04Å; I591-L596 HydrophobicContact CB-CD1 3.84Å; I591-L596 HydrophobicContact CB-CG 4.12Å; I591-L596 HydrophobicContact CG2-CD1 3.98Å; I591-L596 HydrophobicContact CG2-CD2 4.33Å; I591-L596 HydrophobicContact CG2-CG 3.69Å; D592-L596 PolarHBondContact O-N 3.41Å; S593-L596 PolarHBondContact O-N 3.08Å; L596-F600 WeakPolarHBondContact O-CB 3.34Å; L596-F600 PolarHBondContact O-N 2.98Å
597E77.8Confident71.3Confident67 Ų6788.8 Ų88.831%0.31349%0.487SS..Hα-helixtrans-62.9-50174.4-78.5-176.5-164.300111.3L581 S593 L599 F600 Y601L581-E597 HydrophobicContact CD1-CB 4.45Å; L581-E597 HydrophobicContact CD1-CG 3.72Å; L581-E597 HydrophobicContact CD2-CG 3.8Å; L581-E597 HydrophobicContact CG-CG 4.28Å; S593-E597 WeakPolarHBondContact O-CB 2.87Å; S593-E597 WeakPolarHBondContact O-CG 3.46Å; S593-E597 PolarHBondContact O-N 2.92Å; E597-L599 PolarHBondContact O-N 2.7Å; E597-F600 WeakPolarHBondContact O-CB 3.45Å; E597-F600 PolarHBondContact O-N 3.37Å; E597-Y601 HydrophobicContact CB-CE2 4.43Å; E597-Y601 WeakPolarHBondContact O-CD2 3.49Å; E597-Y601 PolarHBondContact O-N 3.37Å
598N74.3Confident72Confident98 Ų9889.8 Ų89.852%0.52450%0.495SS..Hα-helixtrans-61-44.5177.4-73.1-40.6000111.7D594 F595 F600 Y601 E602D594-N598 WeakPolarHBondContact O-CB 3.42Å; D594-N598 VanDerWaalsContact O-CG 3.23Å; D594-N598 PolarHBondContact O-N 3.39Å; D594-N598 PolarHBondContact O-ND2 3.11Å; F595-N598 PolarHBondContact O-N 2.9Å; N598-F600 VanDerWaalsContact C-N 3.29Å; N598-F600 PolarHBondContact O-N 3.29Å; N598-Y601 PolarHBondContact O-N 2.96Å; N598-E602 WeakPolarHBondContact O-CB 3.24Å; N598-E602 WeakPolarHBondContact O-CG 3.28Å; N598-E602 PolarHBondContact O-N 3.06Å
599L70.2Confident71.7Confident72 Ų7289.8 Ų89.838%0.37750%0.501SS..Hα-helixtrans-60.9-39.4176.5-171.274.1000111.7F595 E597 N603F595-L599 HydrophobicContact CE1-CD2 4.37Å; F595-L599 VanDerWaalsContact O-CB 3.26Å; F595-L599 WeakPolarHBondContact O-CB 3.36Å; F595-L599 PolarHBondContact O-N 3.41Å; E597-L599 PolarHBondContact O-N 2.7Å; L599-N603 WeakPolarHBondContact O-CB 3.33Å; L599-N603 PolarHBondContact O-N 2.89Å; L599-N603 PolarHBondContact O-ND2 3.41Å
600F74Confident71.5Confident21 Ų2188.3 Ų88.39%0.09249%0.486CS..Hα-helixtrans-66.7-44.8177.5-176.6-102.3000111.7S577 K580 L581 L584 L596 E597 N598 N603 G604S577-F600 VanDerWaalsContact O-CE1 3.27Å; S577-F600 WeakPolarHBondContact O-CE1 3.19Å; S577-F600 WeakPolarHBondContact O-CZ 3.44Å; K580-F600 HydrophobicContact CB-CE2 3.52Å; K580-F600 HydrophobicContact CB-CZ 3.59Å; K580-F600 HydrophobicContact CD-CE2 4.14Å; K580-F600 HydrophobicContact CD-CZ 4.07Å; K580-F600 HydrophobicContact CG-CE2 4.47Å; L581-F600 HydrophobicContact CB-CD1 4.09Å; L581-F600 HydrophobicContact CB-CE1 4.15Å; L581-F600 HydrophobicContact CB-CG 4.44Å; L581-F600 HydrophobicContact CD1-CB 4.03Å; L581-F600 HydrophobicContact CD1-CD1 4.22Å; L581-F600 HydrophobicContact CD1-CG 4.12Å; L584-F600 HydrophobicContact CD1-CD2 3.52Å; L584-F600 HydrophobicContact CD1-CE2 4.13Å; L584-F600 HydrophobicContact CD1-CG 4.4Å; L596-F600 WeakPolarHBondContact O-CB 3.34Å; L596-F600 PolarHBondContact O-N 2.98Å; E597-F600 WeakPolarHBondContact O-CB 3.45Å; E597-F600 PolarHBondContact O-N 3.37Å; N598-F600 VanDerWaalsContact C-N 3.29Å; N598-F600 PolarHBondContact O-N 3.29Å; F600-N603 PolarHBondContact O-N 2.94Å; F600-G604 PolarHBondContact O-N 3.42Å
601Y71.7Confident71.6Confident161 Ų16186.6 Ų86.663%0.63146%0.464SS*.Hα-helixtrans-71.4-31177.9-71.9-62.4000113.6E597 N598E597-Y601 HydrophobicContact CB-CE2 4.43Å; E597-Y601 WeakPolarHBondContact O-CD2 3.49Å; E597-Y601 PolarHBondContact O-N 3.37Å; N598-Y601 PolarHBondContact O-N 2.96Å
602E69.2Low71.2Confident160 Ų16088 Ų8875%0.74847%0.473SS*.Hα-helixtrans-72.4-24.9177-78.1-173.2168.300113.6N598N598-E602 WeakPolarHBondContact O-CB 3.24Å; N598-E602 WeakPolarHBondContact O-CG 3.28Å; N598-E602 PolarHBondContact O-N 3.06Å
603N53.8Low70.2Confident121 Ų12187.3 Ų87.365%0.64747%0.469SS*.Hα-helixtrans-109.50.7-173.2-68.9-84.5000115.1L599 F600L599-N603 WeakPolarHBondContact O-CB 3.33Å; L599-N603 PolarHBondContact O-N 2.89Å; L599-N603 PolarHBondContact O-ND2 3.41Å; F600-N603 PolarHBondContact O-N 2.94Å
604G47.7Very low69.7Low92 Ų9290.8 Ų90.895%0.94848%0.481SS*.  trans71.10177.600000114.5F600F600-G604 PolarHBondContact O-N 3.42Å

Retrieved 604 of 604 residues in 859.7 ms (Link to these results)

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