A0A087WV24_HUMAN Loading...

Aromatic-L-amino-acid decarboxylase

Catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine and L-5-hydroxytryptophan to serotonin.

AlphaFold DB , UniProt , Accession A0A087WV24, Species HUMAN (Homo sapiens, Human), Gene DDC, Length 442 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M64.3Low79.2Confident132 Ų132104.7 Ų104.765%0.6552%0.516SS*.  01160-177.2-178.8-70.700108.6E5 F6 R9M1-E5 HydrophobicContact CG-CB 3.95Å; M1-E5 HydrophobicContact CG-CG 3.74Å; M1-F6 HydrophobicContact CG-CB 4.03Å; M1-F6 WeakPolarHBondContact SD-CA 3.39Å; M1-F6 HydrophobicContact SD-CB 3.83Å; M1-F6 HydrophobicContact SD-CD2 3.82Å; M1-F6 HydrophobicContact SD-CG 4.31Å; M1-R9 HydrophobicContact CE-CB 4.28Å; M1-R9 HydrophobicContact CE-CG 4.04Å; M1-R9 HydrophobicContact SD-CB 4.47Å
2N76.3Confident78.3Confident103 Ų103102.7 Ų102.755%0.55151%0.505SS*.  trans-78.8170.1178.970.338.9000111.9S4 E5 F6N2-S4 VanDerWaalsContact C-N 3.29Å; N2-S4 PolarHBondContact O-N 3.42Å; N2-S4 WeakPolarHBondContact OD1-CB 3.31Å; N2-S4 PolarHBondContact OD1-N 3.11Å; N2-S4 VanDerWaalsContact OD1-N 3.08Å; N2-E5 PolarHBondContact O-N 3Å; N2-E5 WeakPolarHBondContact OD1-CB 3.42Å; N2-E5 PolarHBondContact OD1-N 3.48Å; N2-F6 VanDerWaalsContact O-CB 3.32Å; N2-F6 WeakPolarHBondContact O-CB 3.5Å; N2-F6 PolarHBondContact O-N 3.21Å
3A80.4Confident77.9Confident70 Ų70103.4 Ų103.458%0.57951%0.508SS*.Hα-helixtrans-60.7-32.9-175.800000114.3R7A3-R7 WeakPolarHBondContact O-CB 3.44Å; A3-R7 VanDerWaalsContact O-CG 3.23Å; A3-R7 WeakPolarHBondContact O-CG 3.44Å; A3-R7 PolarHBondContact O-N 3.14Å
4S87Confident78Confident91 Ų91102.9 Ų102.964%0.63651%0.513SS*.Hα-helixtrans-69.7-48.1177.4-175.10000110.8N2 F6 R7 R8N2-S4 VanDerWaalsContact C-N 3.29Å; N2-S4 PolarHBondContact O-N 3.42Å; N2-S4 WeakPolarHBondContact OD1-CB 3.31Å; N2-S4 PolarHBondContact OD1-N 3.11Å; N2-S4 VanDerWaalsContact OD1-N 3.08Å; S4-F6 VanDerWaalsContact C-N 3.33Å; S4-F6 PolarHBondContact O-N 3.43Å; S4-R7 PolarHBondContact O-N 3.25Å; S4-R8 PolarHBondContact O-N 3.4Å
5E78.8Confident77.7Confident55 Ų55102.5 Ų102.526%0.25751%0.514SS..Hα-helixtrans-63.5-41.1176.3-177.863.6-175.600111M1 N2 R7 R8 R9M1-E5 HydrophobicContact CG-CB 3.95Å; M1-E5 HydrophobicContact CG-CG 3.74Å; N2-E5 PolarHBondContact O-N 3Å; N2-E5 WeakPolarHBondContact OD1-CB 3.42Å; N2-E5 PolarHBondContact OD1-N 3.48Å; E5-R7 PolarHBondContact O-N 2.96Å; E5-R8 PolarHBondContact O-N 3.48Å; E5-R8 IonicContact OE1-CZ 3.81Å; E5-R8 IonicContact OE1-NE 2.64Å; E5-R8 IonicContact OE1-NH2 3.69Å; E5-R8 PolarHBondContact OE1-NH2 3.41Å; E5-R8 IonicContact OE2-CZ 2.76Å; E5-R8 VanDerWaalsContact OE2-CZ 3.26Å; E5-R8 IonicContact OE2-NE 3.6Å; E5-R8 PolarHBondContact OE2-NE 3.44Å; E5-R8 IonicContact OE2-NH2 3.6Å; E5-R8 PolarHBondContact OE2-NH2 3.06Å; E5-R9 HydrophobicContact CG-CG 4.22Å; E5-R9 WeakPolarHBondContact O-CB 3.4Å; E5-R9 VanDerWaalsContact O-CG 3.32Å; E5-R9 WeakPolarHBondContact O-CG 3.38Å; E5-R9 PolarHBondContact O-N 3.04Å; E5-R9 WeakPolarHBondContact OE1-CG 3.4Å; E5-R9 IonicContact OE1-CZ 2.83Å; E5-R9 IonicContact OE1-NE 2.8Å; E5-R9 PolarHBondContact OE1-NE 3.48Å; E5-R9 IonicContact OE1-NH2 3.54Å
6F78.8Confident76.7Confident138 Ų138103.9 Ų103.961%0.60551%0.512SS*.Hα-helixtrans-60.4-44.6173.7-179.3-94.2000112M1 N2 S4 R8 G10M1-F6 HydrophobicContact CG-CB 4.03Å; M1-F6 WeakPolarHBondContact SD-CA 3.39Å; M1-F6 HydrophobicContact SD-CB 3.83Å; M1-F6 HydrophobicContact SD-CD2 3.82Å; M1-F6 HydrophobicContact SD-CG 4.31Å; N2-F6 VanDerWaalsContact O-CB 3.32Å; N2-F6 WeakPolarHBondContact O-CB 3.5Å; N2-F6 PolarHBondContact O-N 3.21Å; S4-F6 VanDerWaalsContact C-N 3.33Å; S4-F6 PolarHBondContact O-N 3.43Å; F6-R8 VanDerWaalsContact C-N 3.34Å; F6-R8 PolarHBondContact O-N 3.01Å; F6-G10 WeakPolarHBondContact O-CA 3.49Å; F6-G10 PolarHBondContact O-N 3.25Å
7R86.3Confident76.2Confident182 Ų182103.1 Ų103.169%0.68751%0.509SS*.Hα-helixtrans-62.9-41.1175.2-76.6172.7-170.1-105.54111.7A3 S4 E5 K11A3-R7 WeakPolarHBondContact O-CB 3.44Å; A3-R7 VanDerWaalsContact O-CG 3.23Å; A3-R7 WeakPolarHBondContact O-CG 3.44Å; A3-R7 PolarHBondContact O-N 3.14Å; S4-R7 PolarHBondContact O-N 3.25Å; E5-R7 PolarHBondContact O-N 2.96Å; R7-K11 WeakPolarHBondContact O-CB 3.33Å; R7-K11 VanDerWaalsContact O-CG 3.27Å; R7-K11 WeakPolarHBondContact O-CG 2.9Å; R7-K11 PolarHBondContact O-N 3.44Å
8R84.8Confident76.2Confident97 Ų9799.6 Ų99.637%0.36650%0.498SS..Hα-helixtrans-65.4-55.7178.8-173.3-177.766.794.2-17111.3S4 E5 F6 G10 K11 E12S4-R8 PolarHBondContact O-N 3.4Å; E5-R8 PolarHBondContact O-N 3.48Å; E5-R8 IonicContact OE1-CZ 3.81Å; E5-R8 IonicContact OE1-NE 2.64Å; E5-R8 IonicContact OE1-NH2 3.69Å; E5-R8 PolarHBondContact OE1-NH2 3.41Å; E5-R8 IonicContact OE2-CZ 2.76Å; E5-R8 VanDerWaalsContact OE2-CZ 3.26Å; E5-R8 IonicContact OE2-NE 3.6Å; E5-R8 PolarHBondContact OE2-NE 3.44Å; E5-R8 IonicContact OE2-NH2 3.6Å; E5-R8 PolarHBondContact OE2-NH2 3.06Å; F6-R8 VanDerWaalsContact C-N 3.34Å; F6-R8 PolarHBondContact O-N 3.01Å; R8-G10 VanDerWaalsContact C-N 3.27Å; R8-G10 PolarHBondContact O-N 2.63Å; R8-K11 PolarHBondContact O-N 3.25Å; R8-K11 VanDerWaalsContact O-N 3.15Å; R8-E12 IonicContact CZ-OE1 3.26Å; R8-E12 IonicContact NH1-OE1 2.72Å; R8-E12 PolarHBondContact NH1-OE1 3.11Å; R8-E12 IonicContact NH1-OE2 2.81Å; R8-E12 WeakPolarHBondContact O-CG 3.44Å; R8-E12 PolarHBondContact O-N 2.89Å
9R72.1Confident76.1Confident110 Ų11099.8 Ų99.842%0.41550%0.502SS..Hα-helixtrans-61.9-35.7177.7-63.1-50-172.3172.97.1112.4M1 E5 E12 M13M1-R9 HydrophobicContact CE-CB 4.28Å; M1-R9 HydrophobicContact CE-CG 4.04Å; M1-R9 HydrophobicContact SD-CB 4.47Å; E5-R9 HydrophobicContact CG-CG 4.22Å; E5-R9 WeakPolarHBondContact O-CB 3.4Å; E5-R9 VanDerWaalsContact O-CG 3.32Å; E5-R9 WeakPolarHBondContact O-CG 3.38Å; E5-R9 PolarHBondContact O-N 3.04Å; E5-R9 WeakPolarHBondContact OE1-CG 3.4Å; E5-R9 IonicContact OE1-CZ 2.83Å; E5-R9 IonicContact OE1-NE 2.8Å; E5-R9 PolarHBondContact OE1-NE 3.48Å; E5-R9 IonicContact OE1-NH2 3.54Å; R9-E12 WeakPolarHBondContact CD-OE2 3.14Å; R9-E12 IonicContact CZ-OE2 2.69Å; R9-E12 IonicContact NE-OE2 3.86Å; R9-E12 IonicContact NH1-OE1 3.51Å; R9-E12 IonicContact NH1-OE2 3.7Å; R9-E12 PolarHBondContact NH1-OE2 3.19Å; R9-E12 PolarHBondContact O-N 2.62Å; R9-M13 WeakPolarHBondContact O-CB 3.49Å; R9-M13 PolarHBondContact O-N 3.32Å
10G76.6Confident75.7Confident30 Ų3099.1 Ų99.131%0.30949%0.493SS..Hα-helixtrans-61.3-46.4173.200000112.2F6 R8 M13 V14F6-G10 WeakPolarHBondContact O-CA 3.49Å; F6-G10 PolarHBondContact O-N 3.25Å; R8-G10 VanDerWaalsContact C-N 3.27Å; R8-G10 PolarHBondContact O-N 2.63Å; G10-M13 PolarHBondContact O-N 3.35Å; G10-V14 WeakPolarHBondContact O-CG2 3.43Å; G10-V14 PolarHBondContact O-N 3.04Å
11K86.2Confident75.7Confident144 Ų14499 Ų9963%0.62649%0.492SS*.Hα-helixtrans-64-45.1175-73.8174.2-179.8-173.20112.1R7 R8 M13 V14 D15R7-K11 WeakPolarHBondContact O-CB 3.33Å; R7-K11 VanDerWaalsContact O-CG 3.27Å; R7-K11 WeakPolarHBondContact O-CG 2.9Å; R7-K11 PolarHBondContact O-N 3.44Å; R8-K11 PolarHBondContact O-N 3.25Å; R8-K11 VanDerWaalsContact O-N 3.15Å; K11-M13 VanDerWaalsContact C-N 3.25Å; K11-M13 PolarHBondContact O-N 2.99Å; K11-V14 WeakPolarHBondContact O-CA 3.39Å; K11-V14 WeakPolarHBondContact O-CB 3.36Å; K11-V14 PolarHBondContact O-N 3.13Å; K11-D15 PolarHBondContact O-N 3.37Å
12E68.4Low76.6Confident80 Ų80100.2 Ų100.237%0.37450%0.496SS..Hα-helixtrans-56.5-41.5175.7-72.9169.9-170.100111.8R8 R9 D15 Y16R8-E12 IonicContact CZ-OE1 3.26Å; R8-E12 IonicContact NH1-OE1 2.72Å; R8-E12 PolarHBondContact NH1-OE1 3.11Å; R8-E12 IonicContact NH1-OE2 2.81Å; R8-E12 WeakPolarHBondContact O-CG 3.44Å; R8-E12 PolarHBondContact O-N 2.89Å; R9-E12 WeakPolarHBondContact CD-OE2 3.14Å; R9-E12 IonicContact CZ-OE2 2.69Å; R9-E12 IonicContact NE-OE2 3.86Å; R9-E12 IonicContact NH1-OE1 3.51Å; R9-E12 IonicContact NH1-OE2 3.7Å; R9-E12 PolarHBondContact NH1-OE2 3.19Å; R9-E12 PolarHBondContact O-N 2.62Å; E12-D15 PolarHBondContact O-N 2.72Å; E12-Y16 WeakPolarHBondContact O-CB 3.48Å; E12-Y16 PolarHBondContact O-N 2.69Å
13M72.5Confident76.6Confident112 Ų11297 Ų9755%0.55249%0.488SS*.Hα-helixtrans-68.3-38.2176.1-173.757.965.400112.1R9 G10 K11 Y16 M17R9-M13 WeakPolarHBondContact O-CB 3.49Å; R9-M13 PolarHBondContact O-N 3.32Å; G10-M13 PolarHBondContact O-N 3.35Å; K11-M13 VanDerWaalsContact C-N 3.25Å; K11-M13 PolarHBondContact O-N 2.99Å; M13-Y16 PolarHBondContact O-N 3.04Å; M13-Y16 HydrophobicContact SD-CD1 4.14Å; M13-M17 HydrophobicContact CG-CG 4.4Å; M13-M17 WeakPolarHBondContact O-CB 3.1Å; M13-M17 WeakPolarHBondContact O-CG 3.27Å; M13-M17 PolarHBondContact O-N 3.39Å; M13-M17 HydrophobicContact SD-CG 4.17Å
14V79.6Confident76.6Confident96 Ų9696.9 Ų96.958%0.58248%0.477SS*.Hα-helixtrans-60.7-49.2174.3167.80000110.5G10 K11 Y16 M17 A18G10-V14 WeakPolarHBondContact O-CG2 3.43Å; G10-V14 PolarHBondContact O-N 3.04Å; K11-V14 WeakPolarHBondContact O-CA 3.39Å; K11-V14 WeakPolarHBondContact O-CB 3.36Å; K11-V14 PolarHBondContact O-N 3.13Å; V14-Y16 PolarHBondContact O-N 3.3Å; V14-M17 PolarHBondContact O-N 3.4Å; V14-A18 WeakPolarHBondContact O-CB 3.43Å; V14-A18 PolarHBondContact O-N 3.3Å
15D74.1Confident76.4Confident97 Ų9798.4 Ų98.452%0.51947%0.474SS..Hα-helixtrans-63.2-42.8179.2-64.8-24.3000111K11 E12 M17 A18 N19K11-D15 PolarHBondContact O-N 3.37Å; E12-D15 PolarHBondContact O-N 2.72Å; D15-M17 PolarHBondContact O-N 2.99Å; D15-A18 PolarHBondContact O-N 2.93Å; D15-N19 WeakPolarHBondContact O-CB 3.41Å; D15-N19 PolarHBondContact O-N 3.41Å; D15-N19 PolarHBondContact O-ND2 3.02Å; D15-N19 VanDerWaalsContact O-ND2 3.12Å
16Y60.4Low76.3Confident125 Ų12599.5 Ų99.549%0.4950%0.5SS..Hα-helixtrans-59.1-46.9174.9175.2-95.2000112.2E12 M13 V14 N19 Y20E12-Y16 WeakPolarHBondContact O-CB 3.48Å; E12-Y16 PolarHBondContact O-N 2.69Å; M13-Y16 PolarHBondContact O-N 3.04Å; M13-Y16 HydrophobicContact SD-CD1 4.14Å; V14-Y16 PolarHBondContact O-N 3.3Å; Y16-N19 PolarHBondContact O-N 3.16Å; Y16-Y20 VanDerWaalsContact O-CB 3.3Å; Y16-Y20 WeakPolarHBondContact O-CB 3.39Å; Y16-Y20 PolarHBondContact O-N 3.33Å
17M68.7Low76.1Confident91 Ų9198.8 Ų98.845%0.44849%0.493SS..Hα-helixtrans-66.3-39.6-180-72.4-65.1-66.600111.9M13 V14 D15 Y20 M21M13-M17 HydrophobicContact CG-CG 4.4Å; M13-M17 WeakPolarHBondContact O-CB 3.1Å; M13-M17 WeakPolarHBondContact O-CG 3.27Å; M13-M17 PolarHBondContact O-N 3.39Å; M13-M17 HydrophobicContact SD-CG 4.17Å; V14-M17 PolarHBondContact O-N 3.4Å; D15-M17 PolarHBondContact O-N 2.99Å; M17-Y20 PolarHBondContact O-N 3.24Å; M17-M21 VanDerWaalsContact O-CG 3.28Å; M17-M21 WeakPolarHBondContact O-CG 3.28Å; M17-M21 PolarHBondContact O-N 3.45Å
18A76.1Confident75.2Confident39 Ų3994.9 Ų94.932%0.32248%0.483SS..Hα-helixtrans-60.3-52.3174.300000110.9V14 D15 Y20 M21 E22V14-A18 WeakPolarHBondContact O-CB 3.43Å; V14-A18 PolarHBondContact O-N 3.3Å; D15-A18 PolarHBondContact O-N 2.93Å; A18-Y20 VanDerWaalsContact C-N 3.29Å; A18-Y20 PolarHBondContact O-N 3.35Å; A18-M21 PolarHBondContact O-N 2.89Å; A18-M21 VanDerWaalsContact O-N 3.11Å; A18-E22 WeakPolarHBondContact O-CG 3.37Å; A18-E22 PolarHBondContact O-N 3.38Å
19N75Confident74.5Confident105 Ų10594.6 Ų94.656%0.56149%0.492SS*.Hα-helixtrans-59.8-38.8176.9-68-26.7000112.3D15 Y16 G23D15-N19 WeakPolarHBondContact O-CB 3.41Å; D15-N19 PolarHBondContact O-N 3.41Å; D15-N19 PolarHBondContact O-ND2 3.02Å; D15-N19 VanDerWaalsContact O-ND2 3.12Å; Y16-N19 PolarHBondContact O-N 3.16Å; N19-G23 PolarHBondContact O-N 2.91Å
20Y67.8Low74.1Confident85 Ų8595 Ų9533%0.33349%0.494SS..Hα-helixtrans-61.5-45.3175.4173.6-91.9000111.5Y16 M17 A18 I24Y16-Y20 VanDerWaalsContact O-CB 3.3Å; Y16-Y20 WeakPolarHBondContact O-CB 3.39Å; Y16-Y20 PolarHBondContact O-N 3.33Å; M17-Y20 PolarHBondContact O-N 3.24Å; A18-Y20 VanDerWaalsContact C-N 3.29Å; A18-Y20 PolarHBondContact O-N 3.35Å; Y20-I24 HydrophobicContact CE1-CD1 3.68Å; Y20-I24 HydrophobicContact CE1-CG1 4.26Å; Y20-I24 WeakPolarHBondContact O-CA 3.35Å; Y20-I24 WeakPolarHBondContact O-CB 3.22Å; Y20-I24 PolarHBondContact O-N 2.91Å
21M75.5Confident73.4Confident97 Ų9797.1 Ų97.148%0.47850%0.502SS..Hα-helixtrans-69.1-40.3-179.8-71.2-179.670.900112.4M17 A18 I24M17-M21 VanDerWaalsContact O-CG 3.28Å; M17-M21 WeakPolarHBondContact O-CG 3.28Å; M17-M21 PolarHBondContact O-N 3.45Å; A18-M21 PolarHBondContact O-N 2.89Å; A18-M21 VanDerWaalsContact O-N 3.11Å; M21-I24 VanDerWaalsContact O-CG2 3.28Å; M21-I24 WeakPolarHBondContact O-CG2 3.42Å
22E83.9Confident72.4Confident157 Ų15795.9 Ų95.973%0.73450%0.503SS*.Hα-helixtrans-67.1-39.6176.1-71.1176.617800111.9A18A18-E22 WeakPolarHBondContact O-CG 3.37Å; A18-E22 PolarHBondContact O-N 3.38Å
23G75.6Confident71.9Confident37 Ų3795 Ų9538%0.38150%0.502SS..THydrogen-bonded Turntrans-88.15.9179.400000115.2N19 E25 G26N19-G23 PolarHBondContact O-N 2.91Å; G23-E25 VanDerWaalsContact C-N 3.26Å; G23-E25 PolarHBondContact O-N 3.48Å; G23-G26 PolarHBondContact O-N 2.88Å; G23-G26 VanDerWaalsContact O-N 3.16Å
24I80.5Confident70.9Confident66 Ų6696.5 Ų96.534%0.33851%0.508SS..G310 helixtrans-64.4-31.2-169.5-158.5166.7000112.8Y20 M21 G26 R27Y20-I24 HydrophobicContact CE1-CD1 3.68Å; Y20-I24 HydrophobicContact CE1-CG1 4.26Å; Y20-I24 WeakPolarHBondContact O-CA 3.35Å; Y20-I24 WeakPolarHBondContact O-CB 3.22Å; Y20-I24 PolarHBondContact O-N 2.91Å; M21-I24 VanDerWaalsContact O-CG2 3.28Å; M21-I24 WeakPolarHBondContact O-CG2 3.42Å; I24-G26 VanDerWaalsContact C-N 3.26Å; I24-G26 PolarHBondContact O-N 2.99Å; I24-R27 WeakPolarHBondContact O-CB 3.37Å; I24-R27 PolarHBondContact O-N 3.07Å; I24-R27 VanDerWaalsContact O-N 3.15Å
25E81.9Confident69.5Low124 Ų12498 Ų9858%0.57952%0.52SS*.G310 helixtrans-67-26.2179-66.3-175.3-171.200113G23 R27 H421G23-E25 VanDerWaalsContact C-N 3.26Å; G23-E25 PolarHBondContact O-N 3.48Å; E25-R27 PolarHBondContact O-N 3.03Å; E25-H421 IonicContact OE1-CE1 3.24Å; E25-H421 PolarHBondContact OE1-CE1 3.01Å; E25-H421 IonicContact OE1-NE2 2.88Å; E25-H421 PolarHBondContact OE1-NE2 2.7Å; E25-H421 IonicContact OE2-NE2 3.95Å
26G77Confident68.2Low77 Ų7795.9 Ų95.979%0.79452%0.521SS*.G310 helixtrans-79.9-2.4175.900000113.8G23 I24G23-G26 PolarHBondContact O-N 2.88Å; G23-G26 VanDerWaalsContact O-N 3.16Å; I24-G26 VanDerWaalsContact C-N 3.26Å; I24-G26 PolarHBondContact O-N 2.99Å
27R75.1Confident67.7Low124 Ų12495.4 Ų95.447%0.46852%0.519SS..SBendtrans-97.5148.7-176.8-62.1-178.4178.8-105.8-0.2111.4I24 E25 V29I24-R27 WeakPolarHBondContact O-CB 3.37Å; I24-R27 PolarHBondContact O-N 3.07Å; I24-R27 VanDerWaalsContact O-N 3.15Å; E25-R27 PolarHBondContact O-N 3.03Å; R27-V29 PolarHBondContact O-N 2.93Å
28Q66.6Low66.3Low100 Ų10095.1 Ų95.147%0.46752%0.519SS..  trans-63.9128.3171.8-166.2177.4-53.700110.2Y30 K393Q28-Y30 WeakPolarHBondContact CG-O 3.38Å; Q28-Y30 PolarHBondContact NE2-O 2.91Å; Q28-K393 HydrophobicContact CG-CB 3.72Å; Q28-K393 HydrophobicContact CG-CD 4.42Å; Q28-K393 HydrophobicContact CG-CG 4.3Å
29V71.6Confident64.7Low91 Ų91103.3 Ų103.355%0.55254%0.542SS*.SBendtrans-70.9-43.1-174.1179.40000111.7R27 H396R27-V29 PolarHBondContact O-N 2.93Å; V29-H396 HydrophobicContact CG1-CB 3.91Å
30Y63.9Low63.5Low117 Ų117103.4 Ų103.446%0.45955%0.548SS..SBendtrans-111.3124179.5-171.1-103.4000109.6Q28Q28-Y30 WeakPolarHBondContact CG-O 3.38Å; Q28-Y30 PolarHBondContact NE2-O 2.91Å
31P61.2Low62.4Low75 Ų75105.4 Ų105.449%0.48756%0.564SS.*  trans-69.7152.5-170.330.2-36.6000112.9V33P31-V33 HydrophobicContact CB-CG2 3.98Å; P31-V33 HydrophobicContact CG-CG2 4.1Å; P31-V33 PolarHBondContact O-N 2.92Å
32D65.8Low60.9Low119 Ų119105.1 Ų105.164%0.63656%0.563SS**  trans-96.166.8176.3-160.125.2000111.2K393D32-K393 IonicContact OD1-NZ 2.62Å; D32-K393 PolarHBondContact OD1-NZ 3Å; D32-K393 IonicContact OD2-NZ 2.6Å; D32-K393 PolarHBondContact OD2-NZ 3.28Å; D32-K393 VanDerWaalsContact OD2-NZ 3.11Å
33V57.7Low59Low60 Ų60102.8 Ų102.836%0.36456%0.562SS.*  trans-138.7137.8-174.1-61.20000111.5P31 Y37P31-V33 HydrophobicContact CB-CG2 3.98Å; P31-V33 HydrophobicContact CG-CG2 4.1Å; P31-V33 PolarHBondContact O-N 2.92Å; V33-Y37 HydrophobicContact CB-CD1 3.47Å; V33-Y37 VanDerWaalsContact CB-CD1 3.47Å; V33-Y37 HydrophobicContact CB-CD2 4Å; V33-Y37 HydrophobicContact CB-CE1 3.82Å; V33-Y37 HydrophobicContact CB-CE2 4.32Å; V33-Y37 HydrophobicContact CB-CG 3.56Å; V33-Y37 HydrophobicContact CG1-CD1 4.02Å; V33-Y37 HydrophobicContact CG1-CD2 3.67Å; V33-Y37 HydrophobicContact CG1-CE1 4.11Å; V33-Y37 HydrophobicContact CG1-CE2 3.77Å; V33-Y37 HydrophobicContact CG1-CG 3.8Å; V33-Y37 HydrophobicContact CG2-CD1 3.66Å; V33-Y37 HydrophobicContact CG2-CE1 3.59Å; V33-Y37 HydrophobicContact CG2-CG 4.26Å
34E51.5Low58Low145 Ų145106.6 Ų106.668%0.67859%0.59SS**  trans-84.3151.7174-66.7-57.8144.100111.3G36 Y37E34-G36 PolarHBondContact O-N 3.4Å; E34-G36 VanDerWaalsContact O-N 3.13Å; E34-Y37 WeakPolarHBondContact O-CB 3.34Å; E34-Y37 PolarHBondContact O-N 2.9Å
35P49.2Very low56.3Low127 Ų127107 Ų10783%0.82560%0.602SS**THydrogen-bonded Turntrans-49.9123.4171.5-27.535.6000111.5
36G47.7Very low54.8Low53 Ų53105.1 Ų105.155%0.54661%0.608SS.*THydrogen-bonded Turntrans93.1-1.8-178.500000116E34 L38 R39 P40E34-G36 PolarHBondContact O-N 3.4Å; E34-G36 VanDerWaalsContact O-N 3.13Å; G36-L38 PolarHBondContact O-N 2.93Å; G36-R39 WeakPolarHBondContact O-CB 3.27Å; G36-R39 PolarHBondContact O-N 3.42Å; G36-P40 WeakPolarHBondContact O-CD 3.39Å
37Y49.3Very low53.4Low114 Ų114107 Ų10745%0.44761%0.606SS.*THydrogen-bonded Turntrans-51.8-31.7-17982.6-78.6000114.5V33 E34 P40 L41V33-Y37 HydrophobicContact CB-CD1 3.47Å; V33-Y37 VanDerWaalsContact CB-CD1 3.47Å; V33-Y37 HydrophobicContact CB-CD2 4Å; V33-Y37 HydrophobicContact CB-CE1 3.82Å; V33-Y37 HydrophobicContact CB-CE2 4.32Å; V33-Y37 HydrophobicContact CB-CG 3.56Å; V33-Y37 HydrophobicContact CG1-CD1 4.02Å; V33-Y37 HydrophobicContact CG1-CD2 3.67Å; V33-Y37 HydrophobicContact CG1-CE1 4.11Å; V33-Y37 HydrophobicContact CG1-CE2 3.77Å; V33-Y37 HydrophobicContact CG1-CG 3.8Å; V33-Y37 HydrophobicContact CG2-CD1 3.66Å; V33-Y37 HydrophobicContact CG2-CE1 3.59Å; V33-Y37 HydrophobicContact CG2-CG 4.26Å; E34-Y37 WeakPolarHBondContact O-CB 3.34Å; E34-Y37 PolarHBondContact O-N 2.9Å; Y37-P40 VanDerWaalsContact O-CD 3.31Å; Y37-P40 WeakPolarHBondContact O-CD 3.23Å; Y37-P40 WeakPolarHBondContact O-CG 3.34Å; Y37-L41 HydrophobicContact CD2-CD1 4Å; Y37-L41 HydrophobicContact CE2-CD1 4.4Å; Y37-L41 WeakPolarHBondContact O-CD1 3.44Å; Y37-L41 WeakPolarHBondContact O-CG 3.5Å
38L39.8Very low51.9Low86 Ų86110.1 Ų110.145%0.4563%0.626SS.*THydrogen-bonded Turntrans-74.9-30.3-176.7-171.963.9000112.3G36 L41 I42G36-L38 PolarHBondContact O-N 2.93Å; L38-L41 WeakPolarHBondContact O-CA 3.22Å; L38-L41 WeakPolarHBondContact O-CB 3.24Å; L38-L41 PolarHBondContact O-N 3.18Å; L38-I42 HydrophobicContact CD1-CG2 4.05Å; L38-I42 HydrophobicContact CG-CD1 4.37Å; L38-I42 HydrophobicContact CG-CG2 4.21Å; L38-I42 PolarHBondContact O-N 3.33Å
39R42.3Very low51.2Low211 Ų211113 Ų11380%0.79664%0.64SS**G310 helixtrans-58.2-43.6-174.7-172.6173.3-177.7156.30.8114.1G36 L41G36-R39 WeakPolarHBondContact O-CB 3.27Å; G36-R39 PolarHBondContact O-N 3.42Å; R39-L41 VanDerWaalsContact C-N 3.27Å; R39-L41 PolarHBondContact O-N 3.47Å
40P50.2Low50.3Low107 Ų107113.3 Ų113.370%0.69564%0.644SS**G310 helixtrans-74.5-13.4173.729.8-36.9000114G36 Y37G36-P40 WeakPolarHBondContact O-CD 3.39Å; Y37-P40 VanDerWaalsContact O-CD 3.31Å; Y37-P40 WeakPolarHBondContact O-CD 3.23Å; Y37-P40 WeakPolarHBondContact O-CG 3.34Å
41L43.8Very low49.5Very low127 Ų127115.4 Ų115.467%0.66566%0.663SS**G310 helixtrans-92.1-9.6-176.3-59.6177.5000113.6Y37 L38 R39Y37-L41 HydrophobicContact CD2-CD1 4Å; Y37-L41 HydrophobicContact CE2-CD1 4.4Å; Y37-L41 WeakPolarHBondContact O-CD1 3.44Å; Y37-L41 WeakPolarHBondContact O-CG 3.5Å; L38-L41 WeakPolarHBondContact O-CA 3.22Å; L38-L41 WeakPolarHBondContact O-CB 3.24Å; L38-L41 PolarHBondContact O-N 3.18Å; R39-L41 VanDerWaalsContact C-N 3.27Å; R39-L41 PolarHBondContact O-N 3.47Å
42I44Very low48.9Very low90 Ų90117.2 Ų117.246%0.46267%0.673SS.*SBendtrans-119.8147.8178.664-179.1000109.4L38 A44L38-I42 HydrophobicContact CD1-CG2 4.05Å; L38-I42 HydrophobicContact CG-CD1 4.37Å; L38-I42 HydrophobicContact CG-CG2 4.21Å; L38-I42 PolarHBondContact O-N 3.33Å; I42-A44 PolarHBondContact O-N 3Å
43P45Very low48Very low109 Ų109116.9 Ų116.971%0.70867%0.666SS**  trans-52.2138.5175-27.635.8000112A45P43-A45 WeakPolarHBondContact CB-O 3.45Å; P43-A45 PolarHBondContact O-N 3.21Å; P43-A45 VanDerWaalsContact O-N 3.16Å
44A53.5Low47.5Very low117 Ų117121.2 Ų121.297%0.96768%0.682SS**SBendtrans-68-13.5-176.700000113.9I42I42-A44 PolarHBondContact O-N 3Å
45A45.9Very low47.4Very low73 Ų73120.7 Ų120.760%0.60368%0.684SS**SBendtrans-136.8150.8174.200000109.3P43P43-A45 WeakPolarHBondContact CB-O 3.45Å; P43-A45 PolarHBondContact O-N 3.21Å; P43-A45 VanDerWaalsContact O-N 3.16Å
46A50Low47.2Very low85 Ų85117.9 Ų117.970%0.70266%0.661SS**  trans-59.1146.8168.800000109.9
47P48.2Very low47.2Very low117 Ų117119.5 Ų119.576%0.7666%0.656SS**  trans-57.6140.7175.323.1-31.9000111
48Q42.6Very low47.1Very low189 Ų189119.5 Ų119.588%0.88366%0.664SS**SBendtrans-82.8-23.6-177.5-71.3-156.1-4.700114
49E52.3Low47.4Very low161 Ų161120.1 Ų120.175%0.75267%0.668SS**SBendtrans-104.1125.8177.3-63.7-62.1155.600110.5
50P52.4Low47.4Very low98 Ų98113.2 Ų113.264%0.63665%0.649SS**PPolyproline II helixtrans-80.2151170.631.1-31.8000112.2
51D46.2Very low47.1Very low161 Ų161114.8 Ų114.886%0.86165%0.647SS**SBendtrans-66.2145154.6-68-46.8000109.3F53D51-F53 PolarHBondContact O-N 3.47Å
52T50.5Low46.8Very low112 Ų112117.1 Ų117.169%0.68765%0.652SS**PPolyproline II helixtrans-64.2126-162.1560000114.7
53F46Very low46.7Very low112 Ų112118.5 Ų118.549%0.49166%0.659SS.*  trans-105.10.3-169179.1-94000112.4D51 D55 I56 I57D51-F53 PolarHBondContact O-N 3.47Å; F53-D55 VanDerWaalsContact C-N 3.31Å; F53-D55 PolarHBondContact O-N 3.46Å; F53-I56 HydrophobicContact CB-CD1 4.36Å; F53-I56 HydrophobicContact CD2-CB 3.91Å; F53-I56 HydrophobicContact CD2-CD1 3.62Å; F53-I56 HydrophobicContact CD2-CG1 4.28Å; F53-I56 HydrophobicContact CD2-CG2 3.93Å; F53-I56 HydrophobicContact CE2-CB 4.1Å; F53-I56 HydrophobicContact CE2-CD1 4.32Å; F53-I56 HydrophobicContact CE2-CG2 3.64Å; F53-I56 HydrophobicContact CG-CB 4.19Å; F53-I56 HydrophobicContact CG-CD1 4.25Å; F53-I56 HydrophobicContact CZ-CG2 4.16Å; F53-I56 VanDerWaalsContact O-CB 3.26Å; F53-I56 WeakPolarHBondContact O-CB 3.24Å; F53-I56 PolarHBondContact O-N 3.41Å; F53-I57 HydrophobicContact CE1-CD1 3.86Å; F53-I57 HydrophobicContact CZ-CD1 4.14Å
54E47.6Very low46.4Very low152 Ų152118.9 Ų118.971%0.7165%0.654SS**Hα-helixtrans-71.9-20.2-172.7-79.2150.8151.200114.2
55D48.1Very low45.5Very low133 Ų133119.7 Ų119.771%0.71164%0.639SS**Hα-helixtrans-79.3-22.8167-69.9-32.7000113.1F53 I57F53-D55 VanDerWaalsContact C-N 3.31Å; F53-D55 PolarHBondContact O-N 3.46Å; D55-I57 VanDerWaalsContact C-N 3.29Å; D55-I57 PolarHBondContact O-N 2.91Å
56I46.5Very low45.1Very low69 Ų69121.3 Ų121.335%0.35464%0.644SS.*Hα-helixtrans-73.6-24.4-174.6-61.1178.2000110.8F53 V60F53-I56 HydrophobicContact CB-CD1 4.36Å; F53-I56 HydrophobicContact CD2-CB 3.91Å; F53-I56 HydrophobicContact CD2-CD1 3.62Å; F53-I56 HydrophobicContact CD2-CG1 4.28Å; F53-I56 HydrophobicContact CD2-CG2 3.93Å; F53-I56 HydrophobicContact CE2-CB 4.1Å; F53-I56 HydrophobicContact CE2-CD1 4.32Å; F53-I56 HydrophobicContact CE2-CG2 3.64Å; F53-I56 HydrophobicContact CG-CB 4.19Å; F53-I56 HydrophobicContact CG-CD1 4.25Å; F53-I56 HydrophobicContact CZ-CG2 4.16Å; F53-I56 VanDerWaalsContact O-CB 3.26Å; F53-I56 WeakPolarHBondContact O-CB 3.24Å; F53-I56 PolarHBondContact O-N 3.41Å; I56-V60 VanDerWaalsContact O-CG2 3.28Å; I56-V60 WeakPolarHBondContact O-CG2 3.26Å
57I47.6Very low44.8Very low86 Ų86119.8 Ų119.844%0.44164%0.636SS.*Hα-helixtrans-90.4-26.2-172.2-141.560000114.2F53 D55 E61F53-I57 HydrophobicContact CE1-CD1 3.86Å; F53-I57 HydrophobicContact CZ-CD1 4.14Å; D55-I57 VanDerWaalsContact C-N 3.29Å; D55-I57 PolarHBondContact O-N 2.91Å; I57-E61 PolarHBondContact O-N 3.43Å
58N46.5Very low44.4Very low115 Ų115118.9 Ų118.962%0.61564%0.639SS**Hα-helixtrans-76.8-25.4179.7-81.3-34.8000113.8
59D45.3Very low44.7Very low99 Ų99113.5 Ų113.553%0.52963%0.627SS.*Hα-helixtrans-86.3-24.4175.8-84.5-18.6000113.2I63D59-I63 HydrophobicContact CB-CD1 4.24Å; D59-I63 WeakPolarHBondContact O-CB 3.08Å; D59-I63 PolarHBondContact O-N 2.79Å
60V42.7Very low44.9Very low65 Ų65108.7 Ų108.739%0.39461%0.611SS.*Iπ-helixtrans-69.2-42.2173.8172.50000110.8I56 K62 I64 M65I56-V60 VanDerWaalsContact O-CG2 3.28Å; I56-V60 WeakPolarHBondContact O-CG2 3.26Å; V60-K62 VanDerWaalsContact C-N 3.31Å; V60-K62 PolarHBondContact O-N 3.15Å; V60-I64 HydrophobicContact CG1-CB 4.38Å; V60-I64 HydrophobicContact CG2-CG1 4.41Å; V60-I64 WeakPolarHBondContact O-CB 3.45Å; V60-I64 PolarHBondContact O-N 3.21Å; V60-M65 PolarHBondContact O-N 2.92Å
61E43.6Very low45.2Very low141 Ų141108 Ų10866%0.65961%0.606SS**Iπ-helixtrans-64.9-28.5175.7-86.3-103.1148.700113.6I57I57-E61 PolarHBondContact O-N 3.43Å
62K38.2Very low45.6Very low175 Ų175103 Ų10376%0.76159%0.587SS**Iπ-helixtrans-104.1-24.7-171-144.3175.9-172175.90114.9V60V60-K62 VanDerWaalsContact C-N 3.31Å; V60-K62 PolarHBondContact O-N 3.15Å
63I42.5Very low46.2Very low119 Ų11998.3 Ų98.361%0.6156%0.559SS**Iπ-helixtrans-123.3-31.1-168.9-51177.3000112.7D59D59-I63 HydrophobicContact CB-CD1 4.24Å; D59-I63 WeakPolarHBondContact O-CB 3.08Å; D59-I63 PolarHBondContact O-N 2.79Å
64I38.2Very low47.2Very low117 Ų11793.9 Ų93.960%0.654%0.541SS*.Iπ-helixtrans-87.6-34.3178.9-58.1-78.3000111.3V60 P66 G67V60-I64 HydrophobicContact CG1-CB 4.38Å; V60-I64 HydrophobicContact CG2-CG1 4.41Å; V60-I64 WeakPolarHBondContact O-CB 3.45Å; V60-I64 PolarHBondContact O-N 3.21Å; I64-P66 VanDerWaalsContact C-CD 3.43Å; I64-G67 PolarHBondContact O-N 3.03Å
65M35.4Very low48.3Very low134 Ų13492.4 Ų92.466%0.6653%0.534SS*.THydrogen-bonded Turntrans-64.5-18.9-173.1-80.5-70.6-11200118.6V60 G67V60-M65 PolarHBondContact O-N 2.92Å; M65-G67 PolarHBondContact O-N 3.03Å
66P37.9Very low49.2Very low108 Ų10887.8 Ų87.870%0.70151%0.509SS*.THydrogen-bonded Turntrans-78.8-1.6172.4-13.429.7000114I64 A68I64-P66 VanDerWaalsContact C-CD 3.43Å; P66-A68 VanDerWaalsContact C-N 3.31Å; P66-A68 PolarHBondContact O-N 3.46Å; P66-A68 VanDerWaalsContact O-N 3.14Å
67G41.7Very low51Low53 Ų5384.5 Ų84.555%0.54649%0.492SS..  trans-84.646.4-176.800000115.3I64 M65 A69I64-G67 PolarHBondContact O-N 3.03Å; M65-G67 PolarHBondContact O-N 3.03Å; G67-A69 PolarHBondContact O-N 2.76Å; G67-A69 VanDerWaalsContact O-N 3.08Å
68A41.4Very low52.7Low98 Ų9881.7 Ų81.781%0.8148%0.479SS*.SBendtrans-75.893.7162.900000108.3P66P66-A68 VanDerWaalsContact C-N 3.31Å; P66-A68 PolarHBondContact O-N 3.46Å; P66-A68 VanDerWaalsContact O-N 3.14Å
69A47.7Very low54.2Low76 Ų7679.3 Ų79.363%0.62847%0.469SS*.SBendtrans78.343.917700000118.2G67 P71G67-A69 PolarHBondContact O-N 2.76Å; G67-A69 VanDerWaalsContact O-N 3.08Å; A69-P71 VanDerWaalsContact O-CD 3.3Å; A69-P71 WeakPolarHBondContact O-CD 3.25Å
70S57.2Low56.2Low60 Ų6074.6 Ų74.642%0.4244%0.444SS..  trans-18.397.3174.6-1740000115A72 C73S70-A72 PolarHBondContact O-N 2.94Å; S70-A72 VanDerWaalsContact O-N 3.16Å; S70-C73 VanDerWaalsContact O-CB 3.29Å; S70-C73 WeakPolarHBondContact O-CB 3.3Å; S70-C73 PolarHBondContact O-N 2.88Å
71P58.5Low58.6Low82 Ų8271.5 Ų71.553%0.53243%0.425SS..Hα-helixtrans-57.1-35.9-174.3-29.235.9000113.2A69 C73 T74 E75A69-P71 VanDerWaalsContact O-CD 3.3Å; A69-P71 WeakPolarHBondContact O-CD 3.25Å; P71-C73 VanDerWaalsContact C-N 3.31Å; P71-C73 PolarHBondContact O-N 3.02Å; P71-T74 PolarHBondContact O-N 2.67Å; P71-E75 WeakPolarHBondContact O-CB 3.45Å; P71-E75 WeakPolarHBondContact O-CG 3.48Å; P71-E75 PolarHBondContact O-N 3.06Å
72A55.4Low60.6Low56 Ų5665.5 Ų65.546%0.46340%0.397SS..Hα-helixtrans-63.3-32.717700000113.4S70 T74 L76S70-A72 PolarHBondContact O-N 2.94Å; S70-A72 VanDerWaalsContact O-N 3.16Å; A72-T74 VanDerWaalsContact C-N 3.33Å; A72-L76 WeakPolarHBondContact O-CB 3.36Å; A72-L76 PolarHBondContact O-N 2.92Å; A72-L76 VanDerWaalsContact O-N 3.1Å
73C62.7Low62.9Low14 Ų1462.4 Ų62.410%0.09538%0.381CS..Hα-helixtrans-63.8-42.8175.6-175.30000111S70 P71 E77 F319S70-C73 VanDerWaalsContact O-CB 3.29Å; S70-C73 WeakPolarHBondContact O-CB 3.3Å; S70-C73 PolarHBondContact O-N 2.88Å; P71-C73 VanDerWaalsContact C-N 3.31Å; P71-C73 PolarHBondContact O-N 3.02Å; C73-E77 WeakPolarHBondContact O-CB 3.15Å; C73-E77 PolarHBondContact O-N 3.05Å; C73-F319 HydrophobicContact CB-CD1 4.17Å; C73-F319 HydrophobicContact CB-CE1 4.45Å; C73-F319 HydrophobicContact CB-CG 4.42Å
74T67.6Low65.4Low20 Ų2056.8 Ų56.812%0.12335%0.352CS..Hα-helixtrans-74.1-53179.8-64.50000111.4P71 A72 L76 E77 T78 I305 T306 Y308P71-T74 PolarHBondContact O-N 2.67Å; A72-T74 VanDerWaalsContact C-N 3.33Å; T74-L76 PolarHBondContact O-N 3.14Å; T74-E77 PolarHBondContact O-N 2.92Å; T74-E77 VanDerWaalsContact O-N 3.15Å; T74-T78 PolarHBondContact O-N 3.29Å; T74-T78 PolarHBondContact O-OG1 3.2Å; T74-T78 VanDerWaalsContact O-OG1 3.1Å; T74-I305 HydrophobicContact CG2-CG2 4.35Å; T74-T306 WeakPolarHBondContact CG2-O 3.45Å; T74-Y308 HydrophobicContact CG2-CD2 3.89Å; T74-Y308 HydrophobicContact CG2-CE2 3.93Å
75E69.1Low68.1Low120 Ų12051.2 Ų51.256%0.56132%0.323SS*.Hα-helixtrans-64.6-41.6-175-71.9-174.4-16100112.4P71 E77 T78 V79P71-E75 WeakPolarHBondContact O-CB 3.45Å; P71-E75 WeakPolarHBondContact O-CG 3.48Å; P71-E75 PolarHBondContact O-N 3.06Å; E75-E77 VanDerWaalsContact C-N 3.29Å; E75-E77 PolarHBondContact O-N 2.99Å; E75-T78 WeakPolarHBondContact O-CB 3.49Å; E75-T78 PolarHBondContact O-N 2.91Å; E75-V79 WeakPolarHBondContact O-CG2 3.39Å; E75-V79 PolarHBondContact O-N 3.19Å
76L67.9Low70.9Confident36 Ų3649.4 Ų49.419%0.18831%0.312CS..Hα-helixtrans-65.4-36.6176.3-174.464.3000111.1A72 T74 V79 M80 F319 L322 W325A72-L76 WeakPolarHBondContact O-CB 3.36Å; A72-L76 PolarHBondContact O-N 2.92Å; A72-L76 VanDerWaalsContact O-N 3.1Å; T74-L76 PolarHBondContact O-N 3.14Å; L76-V79 PolarHBondContact O-N 2.83Å; L76-M80 HydrophobicContact CD1-CE 4.23Å; L76-M80 HydrophobicContact CD1-CG 4.1Å; L76-M80 HydrophobicContact CG-CG 4.11Å; L76-M80 WeakPolarHBondContact O-CB 3.32Å; L76-M80 WeakPolarHBondContact O-CG 3.39Å; L76-M80 PolarHBondContact O-N 2.69Å; L76-F319 HydrophobicContact CB-CE1 3.97Å; L76-F319 HydrophobicContact CB-CZ 4.32Å; L76-F319 HydrophobicContact CD2-CE1 3.54Å; L76-F319 HydrophobicContact CD2-CZ 3.65Å; L76-F319 HydrophobicContact CG-CE1 4.28Å; L76-L322 HydrophobicContact CD2-CD1 4.23Å; L76-W325 HydrophobicContact CD1-CB 4.41Å; L76-W325 HydrophobicContact CD1-CG 4.19Å; L76-W325 HydrophobicContact CD2-CB 4.29Å
77E84.8Confident73.6Confident0 Ų045.4 Ų45.40%028%0.284CS..Hα-helixtrans-62.7-47.5175.2-173160.2132.100111.7C73 T74 E75 V79 M80 M81 I106 Y308 R317 S321C73-E77 WeakPolarHBondContact O-CB 3.15Å; C73-E77 PolarHBondContact O-N 3.05Å; T74-E77 PolarHBondContact O-N 2.92Å; T74-E77 VanDerWaalsContact O-N 3.15Å; E75-E77 VanDerWaalsContact C-N 3.29Å; E75-E77 PolarHBondContact O-N 2.99Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3Å; E77-M80 PolarHBondContact O-N 3.4Å; E77-M81 HydrophobicContact CG-CG 4.17Å; E77-M81 WeakPolarHBondContact O-CB 3.32Å; E77-M81 VanDerWaalsContact O-CG 3.24Å; E77-M81 WeakPolarHBondContact O-CG 3.46Å; E77-M81 PolarHBondContact O-N 3.3Å; E77-I106 HydrophobicContact CG-CB 4.46Å; E77-I106 HydrophobicContact CG-CD1 3.81Å; E77-I106 HydrophobicContact CG-CG1 3.81Å; E77-I106 PolarHBondContact OE1-N 3.35Å; E77-Y308 HydrophobicContact CB-CE2 4.01Å; E77-Y308 HydrophobicContact CG-CE2 4.08Å; E77-R317 IonicContact OE1-CZ 2.9Å; E77-R317 IonicContact OE1-NH1 3Å; E77-R317 PolarHBondContact OE1-NH1 3.14Å; E77-R317 IonicContact OE1-NH2 2.87Å; E77-R317 PolarHBondContact OE1-NH2 3.38Å; E77-R317 IonicContact OE2-CZ 3.7Å; E77-R317 IonicContact OE2-NH1 3.95Å; E77-R317 PolarHBondContact OE2-NH1 2.9Å; E77-S321 VanDerWaalsContact CA-CB 3.45Å; E77-S321 PolarHBondContact N-OG 3.05Å
78T83.5Confident76.2Confident28 Ų2842.9 Ų42.917%0.17226%0.258CS..Hα-helixtrans-52.4-50.7174.4-55.40000111.6T74 E75 M81 D82 N96 Y308T74-T78 PolarHBondContact O-N 3.29Å; T74-T78 PolarHBondContact O-OG1 3.2Å; T74-T78 VanDerWaalsContact O-OG1 3.1Å; E75-T78 WeakPolarHBondContact O-CB 3.49Å; E75-T78 PolarHBondContact O-N 2.91Å; T78-M81 PolarHBondContact O-N 2.95Å; T78-D82 PolarHBondContact O-N 3.4Å; T78-N96 HydrophobicContact CG2-CB 3.42Å; T78-N96 VanDerWaalsContact CG2-CB 3.42Å; T78-N96 PolarHBondContact O-ND2 2.87Å; T78-Y308 PolarHBondContact OG1-OH 3.39Å
79V76.7Confident78.8Confident64 Ų6444.3 Ų44.339%0.38825%0.248SC..Hα-helixtrans-65.1-43.2-179.2177.30000111.5E75 L76 E77 M81 D82 W83E75-V79 WeakPolarHBondContact O-CG2 3.39Å; E75-V79 PolarHBondContact O-N 3.19Å; L76-V79 PolarHBondContact O-N 2.83Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3Å; V79-M81 VanDerWaalsContact C-N 3.34Å; V79-D82 PolarHBondContact O-N 3.36Å; V79-W83 HydrophobicContact CG1-CZ2 4.48Å; V79-W83 VanDerWaalsContact O-CD1 3.22Å; V79-W83 PolarHBondContact O-N 2.92Å
80M86.6Confident81.1Confident1 Ų141.2 Ų41.21%0.00522%0.221CC..Hα-helixtrans-67.8-35.4179.9-67-59.892.600112.4L76 E77 W83 L84 M324 W325 F328L76-M80 HydrophobicContact CD1-CE 4.23Å; L76-M80 HydrophobicContact CD1-CG 4.1Å; L76-M80 HydrophobicContact CG-CG 4.11Å; L76-M80 WeakPolarHBondContact O-CB 3.32Å; L76-M80 WeakPolarHBondContact O-CG 3.39Å; L76-M80 PolarHBondContact O-N 2.69Å; E77-M80 PolarHBondContact O-N 3.4Å; M80-W83 HydrophobicContact CE-CD2 3.62Å; M80-W83 HydrophobicContact CE-CE3 3.51Å; M80-W83 HydrophobicContact CE-CG 4.16Å; M80-W83 HydrophobicContact CE-CH2 4.23Å; M80-W83 HydrophobicContact CE-CZ2 4.33Å; M80-W83 HydrophobicContact CE-CZ3 3.83Å; M80-W83 PolarHBondContact O-N 3.39Å; M80-W83 HydrophobicContact SD-CE3 4.22Å; M80-L84 VanDerWaalsContact O-CB 3.29Å; M80-L84 WeakPolarHBondContact O-CB 3.33Å; M80-L84 PolarHBondContact O-N 3.37Å; M80-M324 HydrophobicContact CB-CE 3.37Å; M80-M324 HydrophobicContact CG-CE 4.44Å; M80-W325 HydrophobicContact CG-CB 4.2Å; M80-W325 VanDerWaalsContact SD-CA 3.52Å; M80-W325 HydrophobicContact SD-CB 3.59Å; M80-W325 VanDerWaalsContact SD-CB 3.59Å; M80-W325 HydrophobicContact SD-CG 4.04Å; M80-F328 HydrophobicContact SD-CD2 4.12Å
81M93.6Very high82.9Confident0 Ų040 Ų400%021%0.212CC..Hα-helixtrans-69-34.5174.6-70.7-56.2-65.900112.2E77 T78 V79 G85 I106 A275 M276 W277 M324E77-M81 HydrophobicContact CG-CG 4.17Å; E77-M81 WeakPolarHBondContact O-CB 3.32Å; E77-M81 VanDerWaalsContact O-CG 3.24Å; E77-M81 WeakPolarHBondContact O-CG 3.46Å; E77-M81 PolarHBondContact O-N 3.3Å; T78-M81 PolarHBondContact O-N 2.95Å; V79-M81 VanDerWaalsContact C-N 3.34Å; M81-G85 PolarHBondContact O-N 3.16Å; M81-I106 HydrophobicContact CG-CG1 4.28Å; M81-I106 HydrophobicContact SD-CG1 3.69Å; M81-A275 HydrophobicContact CE-CB 3.83Å; M81-A275 HydrophobicContact SD-CB 4.03Å; M81-M276 WeakPolarHBondContact CE-O 3.3Å; M81-W277 HydrophobicContact CE-CD2 3.73Å; M81-W277 HydrophobicContact CE-CE3 4.06Å; M81-W277 HydrophobicContact CE-CG 4.36Å; M81-W277 HydrophobicContact CE-CH2 3.77Å; M81-W277 HydrophobicContact CE-CZ2 3.42Å; M81-W277 VanDerWaalsContact CE-CZ2 3.42Å; M81-W277 HydrophobicContact CE-CZ3 4.08Å; M81-W277 WeakPolarHBondContact O-CZ2 3.27Å; M81-W277 PolarHBondContact O-NE1 3.38Å; M81-W277 HydrophobicContact SD-CZ2 4.29Å; M81-M324 HydrophobicContact SD-CE 4.01Å
82D86.8Confident84.5Confident15 Ų1544.1 Ų44.18%0.0822%0.221CC..Hα-helixtrans-70.7-42.3172.8-80.69.5000112.2T78 V79 L84 G85 K86 N96 E97T78-D82 PolarHBondContact O-N 3.4Å; V79-D82 PolarHBondContact O-N 3.36Å; D82-L84 VanDerWaalsContact C-N 3.32Å; D82-L84 PolarHBondContact O-N 3.05Å; D82-G85 PolarHBondContact O-N 3.27Å; D82-K86 WeakPolarHBondContact O-CB 3.37Å; D82-K86 WeakPolarHBondContact O-CG 3.32Å; D82-K86 PolarHBondContact O-N 2.83Å; D82-N96 WeakPolarHBondContact OD1-CB 3.45Å; D82-N96 PolarHBondContact OD1-N 3.12Å; D82-N96 PolarHBondContact OD1-ND2 2.91Å; D82-E97 WeakPolarHBondContact OD2-CG 3.21Å; D82-E97 PolarHBondContact OD2-N 3.01Å
83W86.8Confident86.3Confident110 Ų11043.3 Ų43.342%0.41721%0.214SC..Hα-helixtrans-58.5-47.9174.5-78.622.2000110.9V79 M80 K86 M87 F328 R329V79-W83 HydrophobicContact CG1-CZ2 4.48Å; V79-W83 VanDerWaalsContact O-CD1 3.22Å; V79-W83 PolarHBondContact O-N 2.92Å; M80-W83 HydrophobicContact CE-CD2 3.62Å; M80-W83 HydrophobicContact CE-CE3 3.51Å; M80-W83 HydrophobicContact CE-CG 4.16Å; M80-W83 HydrophobicContact CE-CH2 4.23Å; M80-W83 HydrophobicContact CE-CZ2 4.33Å; M80-W83 HydrophobicContact CE-CZ3 3.83Å; M80-W83 PolarHBondContact O-N 3.39Å; M80-W83 HydrophobicContact SD-CE3 4.22Å; W83-K86 PolarHBondContact O-N 3.33Å; W83-M87 VanDerWaalsContact O-CG 3.29Å; W83-M87 WeakPolarHBondContact O-CG 3.31Å; W83-M87 PolarHBondContact O-N 2.94Å; W83-F328 HydrophobicContact CE3-CD2 4.44Å; W83-R329 HydrophobicContact CZ3-CG 4.47Å
84L94.8Very high87.8Confident0 Ų042.6 Ų42.60%021%0.21CC..Hα-helixtrans-66.4-42.5179.6-172.255.1000111.8M80 D82 K86 M87 L88 F261 P263 L267 A275 W277 M324 F328M80-L84 VanDerWaalsContact O-CB 3.29Å; M80-L84 WeakPolarHBondContact O-CB 3.33Å; M80-L84 PolarHBondContact O-N 3.37Å; D82-L84 VanDerWaalsContact C-N 3.32Å; D82-L84 PolarHBondContact O-N 3.05Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 3.38Å; L84-M87 HydrophobicContact CD1-SD 4.33Å; L84-M87 WeakPolarHBondContact O-CB 3.27Å; L84-M87 PolarHBondContact O-N 3.25Å; L84-L88 VanDerWaalsContact O-CG 3.3Å; L84-L88 WeakPolarHBondContact O-CG 3.4Å; L84-L88 PolarHBondContact O-N 3.12Å; L84-L88 VanDerWaalsContact O-N 3.08Å; L84-F261 HydrophobicContact CD1-CE1 4.26Å; L84-F261 HydrophobicContact CD1-CZ 3.85Å; L84-F261 HydrophobicContact CD2-CE1 3.73Å; L84-F261 HydrophobicContact CD2-CZ 3.75Å; L84-F261 HydrophobicContact CG-CE1 3.98Å; L84-F261 HydrophobicContact CG-CZ 4.02Å; L84-P263 HydrophobicContact CD2-CG 3.95Å; L84-L267 HydrophobicContact CD1-CD2 3.93Å; L84-A275 HydrophobicContact CD2-CB 3.83Å; L84-W277 HydrophobicContact CB-CH2 4.24Å; L84-W277 HydrophobicContact CB-CZ2 3.95Å; L84-W277 HydrophobicContact CD2-CH2 3.61Å; L84-W277 HydrophobicContact CD2-CZ2 4.09Å; L84-W277 HydrophobicContact CG-CH2 3.71Å; L84-W277 HydrophobicContact CG-CZ2 3.93Å; L84-M324 HydrophobicContact CD2-CE 4.45Å; L84-M324 HydrophobicContact CD2-SD 3.92Å; L84-F328 HydrophobicContact CB-CE2 4.03Å; L84-F328 HydrophobicContact CB-CZ 4.09Å; L84-F328 HydrophobicContact CD1-CE1 4.38Å; L84-F328 HydrophobicContact CD1-CE2 4.31Å; L84-F328 HydrophobicContact CD1-CZ 3.62Å; L84-F328 HydrophobicContact CD2-CZ 4.12Å; L84-F328 HydrophobicContact CG-CZ 4.16Å
85G95.1Very high88.9Confident0 Ų042.1 Ų42.10%021%0.206CC..Hα-helixtrans-59.3-39.3174.400000112.6M81 D82 L88 E89 L90M81-G85 PolarHBondContact O-N 3.16Å; D82-G85 PolarHBondContact O-N 3.27Å; G85-L88 PolarHBondContact O-N 3.45Å; G85-E89 PolarHBondContact O-N 2.81Å; G85-E89 VanDerWaalsContact O-N 3.11Å; G85-L90 PolarHBondContact O-N 2.64Å
86K93.3Very high89.5Confident97 Ų9737.3 Ų37.342%0.42218%0.184SC..Hα-helixtrans-69.3-38.4174.4-71.1167.6-175.8176.10112.9D82 W83 L84 L88 E89 L95 E97D82-K86 WeakPolarHBondContact O-CB 3.37Å; D82-K86 WeakPolarHBondContact O-CG 3.32Å; D82-K86 PolarHBondContact O-N 2.83Å; W83-K86 PolarHBondContact O-N 3.33Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 3.38Å; K86-L88 PolarHBondContact O-N 2.8Å; K86-E89 PolarHBondContact O-N 2.72Å; K86-L95 HydrophobicContact CG-CD1 4.03Å; K86-E97 WeakPolarHBondContact CE-OE1 3.24Å; K86-E97 IonicContact NZ-OE1 2.62Å; K86-E97 PolarHBondContact NZ-OE1 3.33Å
87M94.6Very high89.6Confident24 Ų2439.7 Ų39.712%0.11819%0.194CC..Hα-helixtrans-60-35.4174.4-73170.160.100111.8W83 L84 E89 I242 R247 F328 V333 L336W83-M87 VanDerWaalsContact O-CG 3.29Å; W83-M87 WeakPolarHBondContact O-CG 3.31Å; W83-M87 PolarHBondContact O-N 2.94Å; L84-M87 HydrophobicContact CD1-SD 4.33Å; L84-M87 WeakPolarHBondContact O-CB 3.27Å; L84-M87 PolarHBondContact O-N 3.25Å; M87-E89 VanDerWaalsContact C-N 3.33Å; M87-I242 HydrophobicContact CB-CG2 4.14Å; M87-I242 HydrophobicContact CE-CB 4.35Å; M87-I242 HydrophobicContact CE-CD1 4.28Å; M87-I242 HydrophobicContact CE-CG2 4.01Å; M87-I242 WeakPolarHBondContact O-CA 3.47Å; M87-R247 PolarHBondContact O-NH2 3.4Å; M87-F328 HydrophobicContact SD-CE2 4.47Å; M87-V333 HydrophobicContact CE-CG1 4.39Å; M87-V333 HydrophobicContact CE-CG2 4.05Å; M87-V333 HydrophobicContact CG-CG2 3.94Å; M87-V333 HydrophobicContact SD-CG2 4Å; M87-L336 HydrophobicContact CE-CD1 3.97Å
88L95.8Very high88.1Confident0 Ų050.1 Ų50.10%024%0.24CC..THydrogen-bonded Turntrans-80.8-13175.9-63.9171.5000113.6L84 G85 K86 L90 G238 F241 I242 R247 F259 F261 W277L84-L88 VanDerWaalsContact O-CG 3.3Å; L84-L88 WeakPolarHBondContact O-CG 3.4Å; L84-L88 PolarHBondContact O-N 3.12Å; L84-L88 VanDerWaalsContact O-N 3.08Å; G85-L88 PolarHBondContact O-N 3.45Å; K86-L88 PolarHBondContact O-N 2.8Å; L88-L90 VanDerWaalsContact C-N 3.28Å; L88-L90 HydrophobicContact CB-CD2 4.4Å; L88-L90 HydrophobicContact CB-CG 3.91Å; L88-L90 HydrophobicContact CD1-CD1 3.98Å; L88-L90 HydrophobicContact CD1-CG 4.08Å; L88-L90 PolarHBondContact O-N 2.88Å; L88-G238 WeakPolarHBondContact CD2-O 3.43Å; L88-F241 HydrophobicContact CD2-CB 3.82Å; L88-I242 HydrophobicContact CD2-CG2 3.86Å; L88-R247 WeakPolarHBondContact O-CD 3.25Å; L88-R247 PolarHBondContact O-NE 2.76Å; L88-R247 VanDerWaalsContact O-NE 3.11Å; L88-F259 HydrophobicContact CD1-CE1 3.82Å; L88-F259 HydrophobicContact CD1-CZ 4.41Å; L88-F261 HydrophobicContact CD1-CD1 4.18Å; L88-F261 HydrophobicContact CD1-CE1 3.69Å; L88-F261 HydrophobicContact CD2-CE1 4.43Å; L88-W277 HydrophobicContact CD1-CH2 3.99Å; L88-W277 HydrophobicContact CD1-CZ3 4.3Å
89E96Very high86.7Confident128 Ų12853.7 Ų53.760%0.59827%0.272SS*.THydrogen-bonded Turntrans53.942.4-166.3-65.8173.9-156.300113G85 K86 M87 R247G85-E89 PolarHBondContact O-N 2.81Å; G85-E89 VanDerWaalsContact O-N 3.11Å; K86-E89 PolarHBondContact O-N 2.72Å; M87-E89 VanDerWaalsContact C-N 3.33Å; E89-R247 IonicContact OE1-CZ 3.41Å; E89-R247 IonicContact OE1-NH1 3.44Å; E89-R247 PolarHBondContact OE1-NH1 3.11Å; E89-R247 IonicContact OE1-NH2 3.39Å; E89-R247 IonicContact OE2-CZ 2.9Å; E89-R247 IonicContact OE2-NH1 2.83Å; E89-R247 PolarHBondContact OE2-NH1 3.41Å
90L96.3Very high86Confident10 Ų1051.2 Ų51.25%0.05226%0.259CS..  trans-60.9148.8171.4-69.2-179.3000111G85 L88 K92 F94 L250 V253 F259 W277G85-L90 PolarHBondContact O-N 2.64Å; L88-L90 VanDerWaalsContact C-N 3.28Å; L88-L90 HydrophobicContact CB-CD2 4.4Å; L88-L90 HydrophobicContact CB-CG 3.91Å; L88-L90 HydrophobicContact CD1-CD1 3.98Å; L88-L90 HydrophobicContact CD1-CG 4.08Å; L88-L90 PolarHBondContact O-N 2.88Å; L90-K92 PolarHBondContact O-N 3.06Å; L90-F94 HydrophobicContact CB-CB 4.42Å; L90-F94 HydrophobicContact CB-CD2 4.38Å; L90-L250 HydrophobicContact CD2-CD2 4.1Å; L90-V253 HydrophobicContact CD2-CG2 4.09Å; L90-F259 HydrophobicContact CD1-CD1 3.9Å; L90-F259 HydrophobicContact CD1-CE1 4.22Å; L90-F259 HydrophobicContact CD2-CD1 4.01Å; L90-F259 HydrophobicContact CD2-CE1 4.15Å; L90-F259 HydrophobicContact CD2-CG 4.35Å; L90-W277 HydrophobicContact CD1-CD2 3.64Å; L90-W277 HydrophobicContact CD1-CE3 3.98Å; L90-W277 HydrophobicContact CD1-CG 3.94Å; L90-W277 HydrophobicContact CD1-CZ2 4.33Å; L90-W277 HydrophobicContact CD1-CZ3 4.44Å
91P95.1Very high85.9Confident36 Ų3657 Ų5723%0.23429%0.286CS..  trans-49.6139.7172.6-27.331.2000112.1A93 F94 V253 E254P91-A93 PolarHBondContact O-N 3.24Å; P91-F94 HydrophobicContact CB-CD2 3.93Å; P91-F94 HydrophobicContact CB-CE2 4.3Å; P91-F94 HydrophobicContact CG-CD2 3.96Å; P91-F94 HydrophobicContact CG-CE2 3.98Å; P91-F94 WeakPolarHBondContact O-CB 3.46Å; P91-F94 PolarHBondContact O-N 2.92Å; P91-V253 HydrophobicContact CG-CG1 4.11Å; P91-E254 HydrophobicContact CG-CB 4.2Å
92K92.5Very high85.8Confident168 Ų16857 Ų5773%0.7329%0.286SS*.G310 helixtrans-53.3-28.3-179.6-66.5-173.9-179.7-179.90113.5L90 F94 L95L90-K92 PolarHBondContact O-N 3.06Å; K92-F94 PolarHBondContact O-N 2.91Å; K92-L95 PolarHBondContact O-N 2.88Å
93A93.1Very high86.1Confident38 Ų3856.3 Ų56.331%0.31428%0.283SS..G310 helixtrans-60.6-22176.700000113.8P91 G102 K279P91-A93 PolarHBondContact O-N 3.24Å; A93-G102 VanDerWaalsContact O-CA 3.24Å; A93-G102 WeakPolarHBondContact O-CA 3.33Å; A93-G102 PolarHBondContact O-N 3.17Å; A93-K279 HydrophobicContact CB-CG 3.94Å
94F94.8Very high86.5Confident0 Ų051 Ų510%026%0.263CS..G310 helixtrans-85.6-15.5174.6-71.9-68.4000113.7L90 P91 K92 G103 V253 A256 W277 V278 K279L90-F94 HydrophobicContact CB-CB 4.42Å; L90-F94 HydrophobicContact CB-CD2 4.38Å; P91-F94 HydrophobicContact CB-CD2 3.93Å; P91-F94 HydrophobicContact CB-CE2 4.3Å; P91-F94 HydrophobicContact CG-CD2 3.96Å; P91-F94 HydrophobicContact CG-CE2 3.98Å; P91-F94 WeakPolarHBondContact O-CB 3.46Å; P91-F94 PolarHBondContact O-N 2.92Å; K92-F94 PolarHBondContact O-N 2.91Å; F94-G103 CarbonylContact O-C 3.57Å; F94-G103 WeakPolarHBondContact O-CA 3.34Å; F94-G103 PolarHBondContact O-N 3.47Å; F94-V253 HydrophobicContact CE2-CG2 4.39Å; F94-A256 HydrophobicContact CZ-CB 4.2Å; F94-A256 VanDerWaalsContact CZ-O 3.32Å; F94-A256 WeakPolarHBondContact CZ-O 3.35Å; F94-W277 HydrophobicContact CB-CB 4.01Å; F94-W277 HydrophobicContact CB-CG 4.29Å; F94-W277 HydrophobicContact CD1-CB 3.61Å; F94-W277 HydrophobicContact CE1-CB 4.4Å; F94-W277 HydrophobicContact CG-CB 4.1Å; F94-W277 VanDerWaalsContact O-CD1 3.29Å; F94-V278 VanDerWaalsContact CD1-C 3.46Å; F94-K279 HydrophobicContact CD1-CB 4.37Å; F94-K279 HydrophobicContact CE1-CB 3.94Å; F94-K279 HydrophobicContact CZ-CB 4.33Å
95L90.3Very high86.6Confident10 Ų1051.1 Ų51.15%0.05226%0.263CS..SBendtrans-82.1150.5-176.5-53.4-177.7000110.9K86 K92 E97K86-L95 HydrophobicContact CG-CD1 4.03Å; K92-L95 PolarHBondContact O-N 2.88Å; L95-E97 HydrophobicContact CB-CG 4.42Å; L95-E97 PolarHBondContact O-N 3.04Å
96N80.4Confident86.7Confident18 Ų1851.1 Ų51.110%0.09626%0.263CS..  trans-76.3-8.7179-61.3-84.8000113.1T78 D82 G103 G104T78-N96 HydrophobicContact CG2-CB 3.42Å; T78-N96 VanDerWaalsContact CG2-CB 3.42Å; T78-N96 PolarHBondContact O-ND2 2.87Å; D82-N96 WeakPolarHBondContact OD1-CB 3.45Å; D82-N96 PolarHBondContact OD1-N 3.12Å; D82-N96 PolarHBondContact OD1-ND2 2.91Å; N96-G103 WeakPolarHBondContact OD1-CA 3.49Å; N96-G104 PolarHBondContact ND2-N 2.99Å; N96-G104 PolarHBondContact OD1-N 3.35Å
97E70.8Confident86.9Confident86 Ų8646.6 Ų46.640%0.40224%0.244SC..SBendtrans-54.7149.1178.5-59.6-171.1155.400112.1D82 K86 L95 A99 G100D82-E97 WeakPolarHBondContact OD2-CG 3.21Å; D82-E97 PolarHBondContact OD2-N 3.01Å; K86-E97 WeakPolarHBondContact CE-OE1 3.24Å; K86-E97 IonicContact NZ-OE1 2.62Å; K86-E97 PolarHBondContact NZ-OE1 3.33Å; L95-E97 HydrophobicContact CB-CG 4.42Å; L95-E97 PolarHBondContact O-N 3.04Å; E97-A99 PolarHBondContact O-N 2.9Å; E97-G100 PolarHBondContact O-N 3.17Å
98K54Low86.9Confident219 Ų21945.6 Ų45.695%0.95224%0.24SC*.THydrogen-bonded Turntrans-52.4-13.2-172.8-77.4-173.5175-177.50116.5
99A54.4Low87.1Confident104 Ų10446.7 Ų46.786%0.8625%0.247SC*.THydrogen-bonded Turntrans-90.9-8.5177.200000114.3E97E97-A99 PolarHBondContact O-N 2.9Å
100G61.5Low87.1Confident11 Ų1140.9 Ų40.911%0.11322%0.221CC..  trans-109.4139.2-177.100000114.1E97 G102 R281E97-G100 PolarHBondContact O-N 3.17Å; G100-G102 VanDerWaalsContact C-N 3.27Å; G100-R281 PolarHBondContact O-NH2 3.16Å
101E84.9Confident87.2Confident123 Ų12342.5 Ų42.558%0.57523%0.233SC*.SBendtrans-77.3-15.7171.1-67.6-176.8174.100112.5K279 K280 R281E101-K279 CarbonylContact C-O 3.58Å; E101-K280 HydrophobicContact CB-CG 4.46Å; E101-K280 WeakPolarHBondContact OE2-CE 3.37Å; E101-R281 WeakPolarHBondContact O-CB 3.25Å; E101-R281 VanDerWaalsContact O-CG 3.23Å; E101-R281 WeakPolarHBondContact O-CG 3.38Å; E101-R281 PolarHBondContact O-N 3.25Å; E101-R281 PolarHBondContact O-NE 2.8Å
102G91.2Very high87.4Confident0 Ų044.1 Ų44.10%024%0.238CC..  trans-90.2-155.8-176.800000114.7A93 G100 V278 K279 R281A93-G102 VanDerWaalsContact O-CA 3.24Å; A93-G102 WeakPolarHBondContact O-CA 3.33Å; A93-G102 PolarHBondContact O-N 3.17Å; G100-G102 VanDerWaalsContact C-N 3.27Å; G102-V278 CarbonylContact C-O 3.32Å; G102-V278 WeakPolarHBondContact CA-O 3.44Å; G102-K279 VanDerWaalsContact CA-O 3.22Å; G102-K279 WeakPolarHBondContact CA-O 3.45Å; G102-K279 PolarHBondContact N-O 3.39Å; G102-K279 VanDerWaalsContact N-O 3.09Å; G102-R281 PolarHBondContact O-NE 2.84Å
103G93.1Very high87.6Confident0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans163.5172.4177.100000112.4F94 N96 W277 V278F94-G103 CarbonylContact O-C 3.57Å; F94-G103 WeakPolarHBondContact O-CA 3.34Å; F94-G103 PolarHBondContact O-N 3.47Å; N96-G103 WeakPolarHBondContact OD1-CA 3.49Å; G103-W277 WeakPolarHBondContact O-CA 3.34Å; G103-V278 PolarHBondContact N-O 3.26Å; G103-V278 VanDerWaalsContact N-O 3.08Å; G103-V278 PolarHBondContact O-N 3.03Å
104G94.9Very high87.9Confident0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-114.3146.9177.300000113.1N96 M276 Y308N96-G104 PolarHBondContact ND2-N 2.99Å; N96-G104 PolarHBondContact OD1-N 3.35Å; G104-M276 CarbonylContact C-O 3.6Å; G104-M276 VanDerWaalsContact CA-O 3.24Å; G104-M276 WeakPolarHBondContact CA-O 3.49Å; G104-Y308 VanDerWaalsContact O-CE1 3.25Å; G104-Y308 WeakPolarHBondContact O-CE1 3.37Å; G104-Y308 PolarHBondContact O-OH 3.35Å
105V96.3Very high88.1Confident1 Ų135 Ų351%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-136.6145.8176.4610000110.4Q107 M276 Y308 W311 R317V105-Q107 VanDerWaalsContact CG1-NE2 3.34Å; V105-M276 HydrophobicContact CG1-CB 4.2Å; V105-M276 PolarHBondContact N-O 3.45Å; V105-M276 PolarHBondContact O-N 2.86Å; V105-Y308 HydrophobicContact CB-CD1 3.84Å; V105-Y308 HydrophobicContact CB-CE1 3.7Å; V105-Y308 HydrophobicContact CG2-CD1 3.5Å; V105-Y308 HydrophobicContact CG2-CE1 3.86Å; V105-Y308 HydrophobicContact CG2-CG 4.28Å; V105-W311 HydrophobicContact CB-CB 4.31Å; V105-W311 HydrophobicContact CB-CE3 4.07Å; V105-W311 HydrophobicContact CG1-CB 4.35Å; V105-W311 HydrophobicContact CG1-CE3 4.14Å; V105-W311 HydrophobicContact CG2-CB 4.08Å; V105-R317 VanDerWaalsContact CG2-NH2 3.3Å
106I97.1Very high88.5Confident0 Ų034.6 Ų34.60%019%0.189CC..EExtended strand (participates in β ladder)trans-93.9111.5173.9-53.6172.2000110.3E77 M81 S274 R320 M324E77-I106 HydrophobicContact CG-CB 4.46Å; E77-I106 HydrophobicContact CG-CD1 3.81Å; E77-I106 HydrophobicContact CG-CG1 3.81Å; E77-I106 PolarHBondContact OE1-N 3.35Å; M81-I106 HydrophobicContact CG-CG1 4.28Å; M81-I106 HydrophobicContact SD-CG1 3.69Å; I106-S274 CarbonylContact C-O 3.49Å; I106-S274 WeakPolarHBondContact CA-O 3.23Å; I106-R320 HydrophobicContact CB-CB 4.36Å; I106-R320 HydrophobicContact CD1-CB 4.14Å; I106-R320 HydrophobicContact CG2-CB 3.88Å; I106-R320 HydrophobicContact CG2-CG 4.37Å; I106-R320 PolarHBondContact O-NH1 3.32Å; I106-R320 VanDerWaalsContact O-NH1 3.08Å; I106-M324 HydrophobicContact CD1-CE 3.7Å; I106-M324 HydrophobicContact CG1-CE 4.29Å
107Q97.4Very high89.4Confident3 Ų333.7 Ų33.71%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-87168.5171.8-55-63.6-11.400111.6V105 E112 A113 S274 M276 W311V105-Q107 VanDerWaalsContact CG1-NE2 3.34Å; Q107-E112 HydrophobicContact CB-CB 4.44Å; Q107-A113 HydrophobicContact CB-CB 4.49Å; Q107-A113 HydrophobicContact CG-CB 4.09Å; Q107-S274 PolarHBondContact N-O 3.26Å; Q107-S274 PolarHBondContact O-N 2.91Å; Q107-M276 HydrophobicContact CG-CB 4.07Å; Q107-M276 HydrophobicContact CG-SD 4.19Å; Q107-W311 PolarHBondContact NE2-O 3.22Å
108G96.1Very high90.7Very high3 Ų329.6 Ų29.63%0.03117%0.166CC..SBendtrans-72.5-37.4173.600000112.5E112 D272G108-E112 VanDerWaalsContact CA-OE2 3.24Å; G108-E112 WeakPolarHBondContact CA-OE2 3.46Å; G108-E112 PolarHBondContact N-OE2 3.12Å; G108-D272 WeakPolarHBondContact O-CB 3.28Å
109S98.1Very high92.8Very high22 Ų2220.3 Ų20.315%0.15413%0.126CC..  trans-149.4161-177.363.40000112.8S111 E112 A113 S274S109-S111 PolarHBondContact O-N 3.5Å; S109-E112 WeakPolarHBondContact O-CB 3.28Å; S109-E112 PolarHBondContact O-N 2.93Å; S109-E112 WeakPolarHBondContact OG-CG 3.38Å; S109-E112 PolarHBondContact OG-N 3.13Å; S109-E112 VanDerWaalsContact OG-N 3.17Å; S109-E112 PolarHBondContact OG-OE1 3.1Å; S109-A113 PolarHBondContact O-N 3.24Å; S109-S274 VanDerWaalsContact C-CB 3.41Å; S109-S274 VanDerWaalsContact C-OG 3.29Å; S109-S274 PolarHBondContact O-OG 2.92Å
110A97.8Very high94.9Very high7 Ų715.4 Ų15.46%0.0589%0.085CC..Hα-helixtrans-59.9-35170.300000111.3E112 A113 T114 A235 N260 S274A110-E112 VanDerWaalsContact C-N 3.34Å; A110-E112 PolarHBondContact O-N 3.06Å; A110-A113 WeakPolarHBondContact O-CB 3.34Å; A110-A113 PolarHBondContact O-N 3.38Å; A110-A113 VanDerWaalsContact O-N 3.14Å; A110-T114 PolarHBondContact O-N 2.98Å; A110-T114 PolarHBondContact O-OG1 3.11Å; A110-T114 VanDerWaalsContact O-OG1 3.14Å; A110-A235 HydrophobicContact CB-CB 3.88Å; A110-N260 VanDerWaalsContact CB-ND2 3.33Å; A110-N260 WeakPolarHBondContact CB-ND2 3.27Å; A110-S274 PolarHBondContact N-OG 3.38Å
111S98.4Very high96.7Very high44 Ų4414.9 Ų14.931%0.3088%0.08SC..Hα-helixtrans-59.6-43.5175.1-500000112.5S109 L115 S156S109-S111 PolarHBondContact O-N 3.5Å; S111-L115 WeakPolarHBondContact O-CB 3.26Å; S111-L115 PolarHBondContact O-N 3.39Å; S111-S156 VanDerWaalsContact OG-CB 3.24Å; S111-S156 WeakPolarHBondContact OG-CB 3.23Å
112E97.8Very high97.3Very high69 Ų6911.1 Ų11.132%0.3226%0.061SC..Hα-helixtrans-64.5-43.2173.2-74.5157.8-130.700111.2Q107 G108 S109 A110 T114 L115 V116Q107-E112 HydrophobicContact CB-CB 4.44Å; G108-E112 VanDerWaalsContact CA-OE2 3.24Å; G108-E112 WeakPolarHBondContact CA-OE2 3.46Å; G108-E112 PolarHBondContact N-OE2 3.12Å; S109-E112 WeakPolarHBondContact O-CB 3.28Å; S109-E112 PolarHBondContact O-N 2.93Å; S109-E112 WeakPolarHBondContact OG-CG 3.38Å; S109-E112 PolarHBondContact OG-N 3.13Å; S109-E112 VanDerWaalsContact OG-N 3.17Å; S109-E112 PolarHBondContact OG-OE1 3.1Å; A110-E112 VanDerWaalsContact C-N 3.34Å; A110-E112 PolarHBondContact O-N 3.06Å; E112-T114 PolarHBondContact O-N 2.88Å; E112-L115 PolarHBondContact O-N 2.93Å; E112-V116 WeakPolarHBondContact O-CB 3.28Å; E112-V116 VanDerWaalsContact O-CG2 3.27Å; E112-V116 WeakPolarHBondContact O-CG2 3.22Å; E112-V116 PolarHBondContact O-N 3.45Å
113A98.2Very high97.6Very high0 Ų012.1 Ų12.10%07%0.067CC..Hα-helixtrans-59.4-46.2178.100000112.3Q107 S109 A110 V116 A117 N260 M276Q107-A113 HydrophobicContact CB-CB 4.49Å; Q107-A113 HydrophobicContact CG-CB 4.09Å; S109-A113 PolarHBondContact O-N 3.24Å; A110-A113 WeakPolarHBondContact O-CB 3.34Å; A110-A113 PolarHBondContact O-N 3.38Å; A110-A113 VanDerWaalsContact O-N 3.14Å; A113-V116 PolarHBondContact O-N 2.92Å; A113-A117 WeakPolarHBondContact O-CB 3.41Å; A113-A117 PolarHBondContact O-N 3.48Å; A113-N260 HydrophobicContact CB-CB 3.88Å; A113-M276 HydrophobicContact CB-CB 4.03Å; A113-M276 HydrophobicContact CB-CG 4.1Å; A113-M276 HydrophobicContact CB-SD 3.74Å; A113-M276 WeakPolarHBondContact O-CE 3.48Å
114T98.8Very high97.8Very high0 Ų014.9 Ų14.90%08%0.079CC..Hα-helixtrans-63.1-42.5175.5-56.40000112A110 E112 A117 L118 V157 A160 V202 H231A110-T114 PolarHBondContact O-N 2.98Å; A110-T114 PolarHBondContact O-OG1 3.11Å; A110-T114 VanDerWaalsContact O-OG1 3.14Å; E112-T114 PolarHBondContact O-N 2.88Å; T114-A117 PolarHBondContact O-N 3.09Å; T114-L118 WeakPolarHBondContact O-CB 3.34Å; T114-L118 PolarHBondContact O-N 2.93Å; T114-V157 HydrophobicContact CG2-CG2 4.27Å; T114-A160 HydrophobicContact CG2-CB 4.1Å; T114-V202 HydrophobicContact CG2-CG2 4.15Å; T114-H231 WeakPolarHBondContact CA-NE2 3.42Å; T114-H231 PolarHBondContact OG1-NE2 2.98Å
115L98.8Very high98Very high16 Ų1615.1 Ų15.18%0.0848%0.08CC..Hα-helixtrans-64.6-43.6176.5175.361.4000111.5S111 E112 A117 L118 L119 A160 I163 I313S111-L115 WeakPolarHBondContact O-CB 3.26Å; S111-L115 PolarHBondContact O-N 3.39Å; E112-L115 PolarHBondContact O-N 2.93Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 3.28Å; L115-L118 PolarHBondContact O-N 2.96Å; L115-L119 HydrophobicContact CD1-CD1 3.93Å; L115-L119 HydrophobicContact CD1-CD2 4.31Å; L115-L119 HydrophobicContact CD1-CG 3.86Å; L115-L119 HydrophobicContact CG-CD1 3.94Å; L115-L119 HydrophobicContact CG-CG 4.3Å; L115-L119 WeakPolarHBondContact O-CB 3.37Å; L115-L119 VanDerWaalsContact O-CG 3.24Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 3.31Å; L115-A160 HydrophobicContact CB-CB 4.15Å; L115-A160 HydrophobicContact CD1-CB 4.33Å; L115-I163 HydrophobicContact CD1-CB 4.13Å; L115-I163 HydrophobicContact CD1-CG2 3.97Å; L115-I163 HydrophobicContact CD2-CB 4.33Å; L115-I163 HydrophobicContact CD2-CD1 4.24Å; L115-I163 HydrophobicContact CD2-CG2 3.79Å; L115-I313 HydrophobicContact CD2-CD1 3.62Å; L115-I313 HydrophobicContact CG-CD1 4.15Å
116V98.5Very high98Very high0 Ų015.2 Ų15.20%08%0.081CC..Hα-helixtrans-58.7-45.2175.71660000110.6E112 A113 L119 A120 M276 L284 F288 I313E112-V116 WeakPolarHBondContact O-CB 3.28Å; E112-V116 VanDerWaalsContact O-CG2 3.27Å; E112-V116 WeakPolarHBondContact O-CG2 3.22Å; E112-V116 PolarHBondContact O-N 3.45Å; A113-V116 PolarHBondContact O-N 2.92Å; V116-L119 PolarHBondContact O-N 2.78Å; V116-A120 WeakPolarHBondContact O-CB 3.48Å; V116-A120 PolarHBondContact O-N 3.05Å; V116-M276 HydrophobicContact CB-CE 4.4Å; V116-M276 HydrophobicContact CB-SD 4.34Å; V116-M276 HydrophobicContact CG1-CE 3.99Å; V116-M276 HydrophobicContact CG1-SD 4.09Å; V116-L284 HydrophobicContact CG1-CD2 3.67Å; V116-F288 HydrophobicContact CB-CE2 4.5Å; V116-F288 HydrophobicContact CB-CZ 4.4Å; V116-F288 HydrophobicContact CG1-CE2 3.82Å; V116-F288 HydrophobicContact CG1-CZ 4.21Å; V116-F288 HydrophobicContact CG2-CZ 4.3Å; V116-I313 HydrophobicContact CG2-CD1 4.28Å; V116-I313 HydrophobicContact CG2-CG1 3.92Å
117A98.7Very high98Very high0 Ų020.1 Ų20.10%010%0.104CC..Hα-helixtrans-62-45.3176.200000112.1A113 T114 L115 A120 A121 F200 H231 M276A113-A117 WeakPolarHBondContact O-CB 3.41Å; A113-A117 PolarHBondContact O-N 3.48Å; T114-A117 PolarHBondContact O-N 3.09Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 3.28Å; A117-A120 PolarHBondContact O-N 3.37Å; A117-A121 WeakPolarHBondContact O-CB 3.42Å; A117-A121 PolarHBondContact O-N 3.46Å; A117-F200 HydrophobicContact CB-CE2 3.9Å; A117-F200 HydrophobicContact CB-CZ 4.05Å; A117-H231 HydrophobicContact CB-CB 4.32Å; A117-M276 HydrophobicContact CB-CE 3.83Å
118L98.8Very high97.9Very high0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-62.1-45.8178.7-177154.1000111.6T114 L115 A120 A121 R122 A160 V166 F199 F200T114-L118 WeakPolarHBondContact O-CB 3.34Å; T114-L118 PolarHBondContact O-N 2.93Å; L115-L118 PolarHBondContact O-N 2.96Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A121 PolarHBondContact O-N 3.43Å; L118-R122 VanDerWaalsContact O-CB 3.24Å; L118-R122 WeakPolarHBondContact O-CB 3.48Å; L118-R122 PolarHBondContact O-N 2.94Å; L118-A160 HydrophobicContact CD1-CB 4.11Å; L118-V166 HydrophobicContact CD1-CG2 3.97Å; L118-V166 HydrophobicContact CD2-CG2 4.04Å; L118-V166 HydrophobicContact CG-CG2 4.4Å; L118-F199 HydrophobicContact CG-CZ 4.47Å; L118-F200 HydrophobicContact CB-CD1 4.3Å; L118-F200 HydrophobicContact CB-CE1 3.91Å; L118-F200 HydrophobicContact CB-CE2 4.19Å; L118-F200 HydrophobicContact CB-CZ 3.86Å; L118-F200 HydrophobicContact CD1-CD1 4.15Å; L118-F200 HydrophobicContact CD1-CE1 4.13Å; L118-F200 HydrophobicContact CG-CD1 4.25Å; L118-F200 HydrophobicContact CG-CE1 4.28Å
119L98.6Very high98Very high24 Ų2426.1 Ų26.113%0.12613%0.128CC..Hα-helixtrans-64.7-39.5178.8-68.2175.2000111.4L115 V116 R122 T123 F288L115-L119 HydrophobicContact CD1-CD1 3.93Å; L115-L119 HydrophobicContact CD1-CD2 4.31Å; L115-L119 HydrophobicContact CD1-CG 3.86Å; L115-L119 HydrophobicContact CG-CD1 3.94Å; L115-L119 HydrophobicContact CG-CG 4.3Å; L115-L119 WeakPolarHBondContact O-CB 3.37Å; L115-L119 VanDerWaalsContact O-CG 3.24Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 3.31Å; V116-L119 PolarHBondContact O-N 2.78Å; L119-R122 VanDerWaalsContact CD2-CZ 3.48Å; L119-R122 PolarHBondContact O-N 3.36Å; L119-T123 WeakPolarHBondContact O-CB 3.5Å; L119-T123 PolarHBondContact O-N 2.98Å; L119-T123 PolarHBondContact O-OG1 3.48Å; L119-T123 VanDerWaalsContact O-OG1 3.06Å; L119-F288 HydrophobicContact CB-CE1 4.38Å; L119-F288 HydrophobicContact CB-CZ 3.77Å; L119-F288 HydrophobicContact CD1-CE1 3.96Å; L119-F288 HydrophobicContact CD1-CZ 3.96Å
120A98.4Very high97.9Very high0 Ų027.8 Ų27.80%013%0.133CC..Hα-helixtrans-63-49.3174.600000112.1V116 A117 L118 R122 T123 K124 W229 L284 A287V116-A120 WeakPolarHBondContact O-CB 3.48Å; V116-A120 PolarHBondContact O-N 3.05Å; A117-A120 PolarHBondContact O-N 3.37Å; L118-A120 VanDerWaalsContact C-N 3.34Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 3.3Å; A120-T123 PolarHBondContact O-N 2.95Å; A120-K124 VanDerWaalsContact O-CB 3.3Å; A120-K124 WeakPolarHBondContact O-CB 3.32Å; A120-K124 PolarHBondContact O-N 2.91Å; A120-W229 HydrophobicContact CB-CH2 4.13Å; A120-W229 HydrophobicContact CB-CZ3 4.48Å; A120-L284 HydrophobicContact CB-CD2 3.66Å; A120-A287 HydrophobicContact CB-CB 4.29Å
121A98.6Very high97.8Very high1 Ų131.4 Ų31.41%0.00816%0.163CC..Hα-helixtrans-58.7-44.3176.300000112.2A117 L118 K124 V125 F199 F200 W229A117-A121 WeakPolarHBondContact O-CB 3.42Å; A117-A121 PolarHBondContact O-N 3.46Å; L118-A121 PolarHBondContact O-N 3.43Å; A121-K124 PolarHBondContact O-N 2.95Å; A121-V125 PolarHBondContact O-N 3.49Å; A121-F199 HydrophobicContact CB-CD2 4.04Å; A121-F199 HydrophobicContact CB-CE2 4.17Å; A121-F200 HydrophobicContact CB-CB 4.47Å; A121-F200 HydrophobicContact CB-CD2 3.6Å; A121-F200 HydrophobicContact CB-CE2 4.3Å; A121-F200 HydrophobicContact CB-CG 4.46Å; A121-W229 HydrophobicContact CB-CB 3.51Å; A121-W229 HydrophobicContact CB-CD2 3.67Å; A121-W229 HydrophobicContact CB-CE3 3.79Å; A121-W229 HydrophobicContact CB-CG 3.57Å
122R98.1Very high97.7Very high44 Ų4433.1 Ų33.117%0.16618%0.18CC..Hα-helixtrans-59.6-51.7177.8-173.5-169.567.5179.43110.8L118 L119 A120 K124 V125 I126 L145 G164 V166 F199L118-R122 VanDerWaalsContact O-CB 3.24Å; L118-R122 WeakPolarHBondContact O-CB 3.48Å; L118-R122 PolarHBondContact O-N 2.94Å; L119-R122 VanDerWaalsContact CD2-CZ 3.48Å; L119-R122 PolarHBondContact O-N 3.36Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 3.3Å; R122-K124 VanDerWaalsContact C-N 3.35Å; R122-K124 PolarHBondContact O-N 3.46Å; R122-V125 PolarHBondContact O-N 2.89Å; R122-I126 HydrophobicContact CG-CD1 3.86Å; R122-I126 WeakPolarHBondContact O-CD1 3.27Å; R122-I126 VanDerWaalsContact O-CG1 3.27Å; R122-I126 WeakPolarHBondContact O-CG1 3.5Å; R122-I126 PolarHBondContact O-N 3.26Å; R122-L145 HydrophobicContact CG-CD1 3.63Å; R122-G164 PolarHBondContact NH1-O 3.22Å; R122-V166 HydrophobicContact CG-CG1 4.38Å; R122-F199 HydrophobicContact CB-CD2 4.47Å; R122-F199 HydrophobicContact CB-CE2 3.8Å; R122-F199 HydrophobicContact CB-CZ 4.44Å; R122-F199 HydrophobicContact CG-CE2 4.48Å
123T97.8Very high97.6Very high21 Ų2131.7 Ų31.713%0.12918%0.177CC..Hα-helixtrans-62.9-42.1179.7-61.40000111.6L119 A120 V125 I126 H127 A287L119-T123 WeakPolarHBondContact O-CB 3.5Å; L119-T123 PolarHBondContact O-N 2.98Å; L119-T123 PolarHBondContact O-OG1 3.48Å; L119-T123 VanDerWaalsContact O-OG1 3.06Å; A120-T123 PolarHBondContact O-N 2.95Å; T123-V125 PolarHBondContact O-N 3.26Å; T123-I126 PolarHBondContact O-N 2.82Å; T123-H127 WeakPolarHBondContact CG2-CE1 3.47Å; T123-H127 PolarHBondContact O-N 3.23Å; T123-A287 HydrophobicContact CG2-CB 4.18Å
124K97.3Very high97.4Very high58 Ų5836.8 Ų36.825%0.25221%0.211SC..Hα-helixtrans-56.4-48.2175.9-179179.8-177.7173.70112A120 A121 R122 H127 R128 W229 D283A120-K124 VanDerWaalsContact O-CB 3.3Å; A120-K124 WeakPolarHBondContact O-CB 3.32Å; A120-K124 PolarHBondContact O-N 2.91Å; A121-K124 PolarHBondContact O-N 2.95Å; R122-K124 VanDerWaalsContact C-N 3.35Å; R122-K124 PolarHBondContact O-N 3.46Å; K124-H127 PolarHBondContact O-N 2.92Å; K124-R128 WeakPolarHBondContact O-CB 3.35Å; K124-R128 PolarHBondContact O-N 3.47Å; K124-W229 HydrophobicContact CD-CE3 4.15Å; K124-W229 HydrophobicContact CD-CZ3 4.08Å; K124-D283 IonicContact NZ-OD1 3.66Å; K124-D283 IonicContact NZ-OD2 3.39Å; K124-D283 PolarHBondContact NZ-OD2 3.13Å
125V97.8Very high97.2Very high5 Ų543.5 Ų43.53%0.0324%0.242CC..Hα-helixtrans-69.3-38.3179.4170.80000112.2A121 R122 T123 R128 L129 L145 I197 F199A121-V125 PolarHBondContact O-N 3.49Å; R122-V125 PolarHBondContact O-N 2.89Å; T123-V125 PolarHBondContact O-N 3.26Å; V125-R128 PolarHBondContact O-N 2.79Å; V125-L129 HydrophobicContact CG1-CD1 3.76Å; V125-L129 HydrophobicContact CG1-CG 4.26Å; V125-L129 WeakPolarHBondContact O-CB 3.48Å; V125-L129 VanDerWaalsContact O-CG 3.32Å; V125-L129 WeakPolarHBondContact O-CG 3.34Å; V125-L129 PolarHBondContact O-N 2.87Å; V125-L145 HydrophobicContact CG1-CD2 3.84Å; V125-I197 HydrophobicContact CG1-CG2 4.26Å; V125-F199 HydrophobicContact CB-CB 4.39Å; V125-F199 HydrophobicContact CG1-CB 4.4Å; V125-F199 HydrophobicContact CG2-CB 3.93Å
126I97.5Very high97.1Very high3 Ų345.6 Ų45.62%0.01525%0.253CS..Hα-helixtrans-58-53.4173.9-71.3161.2000110.3R122 T123 R128 L129 Q130 Q138 I141 M142 L145R122-I126 HydrophobicContact CG-CD1 3.86Å; R122-I126 WeakPolarHBondContact O-CD1 3.27Å; R122-I126 VanDerWaalsContact O-CG1 3.27Å; R122-I126 WeakPolarHBondContact O-CG1 3.5Å; R122-I126 PolarHBondContact O-N 3.26Å; T123-I126 PolarHBondContact O-N 2.82Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.48Å; I126-L129 PolarHBondContact O-N 3.15Å; I126-Q130 HydrophobicContact CG2-CG 4.38Å; I126-Q130 WeakPolarHBondContact O-CB 3.07Å; I126-Q130 WeakPolarHBondContact O-CG 3.36Å; I126-Q130 PolarHBondContact O-N 3.08Å; I126-Q138 HydrophobicContact CD1-CG 3.99Å; I126-Q138 HydrophobicContact CG2-CB 4.44Å; I126-Q138 HydrophobicContact CG2-CG 4.09Å; I126-I141 HydrophobicContact CG1-CB 4.49Å; I126-I141 HydrophobicContact CG1-CG2 3.86Å; I126-I141 HydrophobicContact CG2-CD1 4.43Å; I126-M142 HydrophobicContact CD1-CG 3.88Å; I126-M142 HydrophobicContact CD1-SD 4.36Å; I126-L145 HydrophobicContact CG1-CD1 4.49Å
127H96.3Very high97Very high103 Ų10349.5 Ų49.548%0.47728%0.277SS..Hα-helixtrans-60.8-41.6-179.8-67.8169.4000112.2T123 K124 L129 Q130 A131T123-H127 WeakPolarHBondContact CG2-CE1 3.47Å; T123-H127 PolarHBondContact O-N 3.23Å; K124-H127 PolarHBondContact O-N 2.92Å; H127-L129 PolarHBondContact O-N 3Å; H127-Q130 PolarHBondContact O-N 3.11Å; H127-A131 VanDerWaalsContact O-CB 3.3Å; H127-A131 WeakPolarHBondContact O-CB 3.24Å; H127-A131 PolarHBondContact O-N 2.99Å
128R96.5Very high96.8Very high92 Ų9254.2 Ų54.235%0.34730%0.299SS..Hα-helixtrans-58.9-47.3176.8-175-175.671.5-154.90111.7K124 V125 I126 A131 A132 D227K124-R128 WeakPolarHBondContact O-CB 3.35Å; K124-R128 PolarHBondContact O-N 3.47Å; V125-R128 PolarHBondContact O-N 2.79Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.48Å; R128-A131 PolarHBondContact O-N 3.48Å; R128-A132 PolarHBondContact O-N 3.43Å; R128-D227 IonicContact CZ-OD2 3.48Å; R128-D227 IonicContact NH1-OD1 3.99Å; R128-D227 IonicContact NH1-OD2 3.57Å; R128-D227 PolarHBondContact NH1-OD2 3Å
129L97Very high96.7Very high40 Ų4057.6 Ų57.621%0.20933%0.327CS..Hα-helixtrans-71.3-38-178.2-68.7173.5000112.3V125 I126 H127 A132 S133 I141 I197V125-L129 HydrophobicContact CG1-CD1 3.76Å; V125-L129 HydrophobicContact CG1-CG 4.26Å; V125-L129 WeakPolarHBondContact O-CB 3.48Å; V125-L129 VanDerWaalsContact O-CG 3.32Å; V125-L129 WeakPolarHBondContact O-CG 3.34Å; V125-L129 PolarHBondContact O-N 2.87Å; I126-L129 PolarHBondContact O-N 3.15Å; H127-L129 PolarHBondContact O-N 3Å; L129-A132 PolarHBondContact O-N 2.92Å; L129-S133 PolarHBondContact O-N 3.19Å; L129-I141 HydrophobicContact CB-CD1 3.89Å; L129-I141 HydrophobicContact CB-CG1 4.41Å; L129-I141 HydrophobicContact CD1-CG1 4.38Å; L129-I141 HydrophobicContact CD1-CG2 3.73Å; L129-I197 HydrophobicContact CD1-CD1 3.78Å; L129-I197 HydrophobicContact CD1-CG2 4.48Å
130Q97Very high96.6Very high56 Ų5658.1 Ų58.126%0.26234%0.335SS..Hα-helixtrans-69.1-33.5175.3-68.9-175.4-54.800112.6I126 H127 A132 S133 P134 L136 I141I126-Q130 HydrophobicContact CG2-CG 4.38Å; I126-Q130 WeakPolarHBondContact O-CB 3.07Å; I126-Q130 WeakPolarHBondContact O-CG 3.36Å; I126-Q130 PolarHBondContact O-N 3.08Å; H127-Q130 PolarHBondContact O-N 3.11Å; Q130-A132 VanDerWaalsContact C-N 3.29Å; Q130-A132 PolarHBondContact O-N 3.42Å; Q130-S133 CarbonylContact O-C 3.59Å; Q130-S133 VanDerWaalsContact O-C 3.22Å; Q130-S133 PolarHBondContact O-N 3.4Å; Q130-P134 VanDerWaalsContact O-CA 3.22Å; Q130-P134 WeakPolarHBondContact O-CA 3.21Å; Q130-P134 VanDerWaalsContact O-N 3.1Å; Q130-L136 PolarHBondContact NE2-O 3.19Å; Q130-L136 VanDerWaalsContact NE2-O 3.12Å; Q130-I141 HydrophobicContact CG-CD1 3.55Å
131A96.1Very high96.5Very high84 Ų8458.3 Ų58.369%0.69434%0.336SS*.Hα-helixtrans-65.5-34.6173.400000112H127 R128H127-A131 VanDerWaalsContact O-CB 3.3Å; H127-A131 WeakPolarHBondContact O-CB 3.24Å; H127-A131 PolarHBondContact O-N 2.99Å; R128-A131 PolarHBondContact O-N 3.48Å
132A96Very high96.4Very high80 Ų8060.3 Ų60.366%0.66135%0.346SS*.Hα-helixtrans-79-31.8175.700000113.3R128 L129 Q130R128-A132 PolarHBondContact O-N 3.43Å; L129-A132 PolarHBondContact O-N 2.92Å; Q130-A132 VanDerWaalsContact C-N 3.29Å; Q130-A132 PolarHBondContact O-N 3.42Å
133S95.6Very high96.4Very high38 Ų3864.6 Ų64.627%0.26637%0.368SS..  trans-14284.3-176.2-70.10000110.4L129 Q130 E135 L136L129-S133 PolarHBondContact O-N 3.19Å; Q130-S133 CarbonylContact O-C 3.59Å; Q130-S133 VanDerWaalsContact O-C 3.22Å; Q130-S133 PolarHBondContact O-N 3.4Å; S133-E135 WeakPolarHBondContact CA-OE2 3.47Å; S133-E135 WeakPolarHBondContact CB-OE1 3.33Å; S133-E135 PolarHBondContact O-N 2.94Å; S133-E135 VanDerWaalsContact O-N 3.1Å; S133-L136 WeakPolarHBondContact O-CB 3.28Å; S133-L136 PolarHBondContact O-N 2.97Å
134P93.5Very high96.4Very high108 Ų10868.5 Ų68.570%0.70138%0.383SS*.THydrogen-bonded Turntrans-60.5-20.2-174.1-26.336.1000115.4Q130 L136Q130-P134 VanDerWaalsContact O-CA 3.22Å; Q130-P134 WeakPolarHBondContact O-CA 3.21Å; Q130-P134 VanDerWaalsContact O-N 3.1Å; P134-L136 VanDerWaalsContact C-N 3.29Å
135E95.2Very high96.5Very high141 Ų14165.7 Ų65.766%0.65937%0.371SS*.THydrogen-bonded Turntrans-73.6-17.8176.172.1-75.1178.300113.7S133 T137S133-E135 WeakPolarHBondContact CA-OE2 3.47Å; S133-E135 WeakPolarHBondContact CB-OE1 3.33Å; S133-E135 PolarHBondContact O-N 2.94Å; S133-E135 VanDerWaalsContact O-N 3.1Å; E135-T137 PolarHBondContact O-N 2.9Å
136L94.9Very high96.5Very high59 Ų5965.5 Ų65.531%0.30937%0.369SS..  trans-72.2116.5178.8-69.7178.6000110.7Q130 S133 P134 I141Q130-L136 PolarHBondContact NE2-O 3.19Å; Q130-L136 VanDerWaalsContact NE2-O 3.12Å; S133-L136 WeakPolarHBondContact O-CB 3.28Å; S133-L136 PolarHBondContact O-N 2.97Å; P134-L136 VanDerWaalsContact C-N 3.29Å; L136-I141 HydrophobicContact CB-CD1 3.99Å; L136-I141 HydrophobicContact CB-CG1 4.12Å; L136-I141 HydrophobicContact CD1-CG1 4.38Å
137T96.6Very high96.6Very high83 Ų8365.3 Ų65.351%0.50937%0.368SS..  trans-69.6149.1171.370.30000110.5E135 A139 A140 I141E135-T137 PolarHBondContact O-N 2.9Å; T137-A139 PolarHBondContact O-N 3.04Å; T137-A140 PolarHBondContact O-N 2.9Å; T137-A140 WeakPolarHBondContact OG1-CB 3.38Å; T137-A140 PolarHBondContact OG1-N 3.42Å; T137-I141 PolarHBondContact O-N 2.82Å; T137-I141 VanDerWaalsContact O-N 3.15Å
138Q95.3Very high96.7Very high98 Ų9860.4 Ų60.446%0.45835%0.346SS..Hα-helixtrans-55.2-38.8174.2178.5175.4-21.100111.9I126 I141 M142I126-Q138 HydrophobicContact CD1-CG 3.99Å; I126-Q138 HydrophobicContact CG2-CB 4.44Å; I126-Q138 HydrophobicContact CG2-CG 4.09Å; Q138-I141 PolarHBondContact O-N 3.45Å; Q138-M142 HydrophobicContact CG-CG 4.28Å; Q138-M142 HydrophobicContact CG-SD 4.15Å; Q138-M142 WeakPolarHBondContact O-CB 3.48Å; Q138-M142 WeakPolarHBondContact O-CG 3.46Å; Q138-M142 PolarHBondContact O-N 3.42Å
139A95.9Very high96.8Very high72 Ų7256.4 Ų56.460%0.59533%0.332SS*.Hα-helixtrans-62.1-45.8178.500000112.1T137 I141 M142 E143T137-A139 PolarHBondContact O-N 3.04Å; A139-I141 VanDerWaalsContact C-N 3.3Å; A139-I141 PolarHBondContact O-N 3.48Å; A139-M142 PolarHBondContact O-N 3.09Å; A139-E143 PolarHBondContact O-N 3.2Å
140A96.6Very high96.7Very high35 Ų3554.6 Ų54.629%0.28932%0.322SS..Hα-helixtrans-64-34.4178.300000112.6T137T137-A140 PolarHBondContact O-N 2.9Å; T137-A140 WeakPolarHBondContact OG1-CB 3.38Å; T137-A140 PolarHBondContact OG1-N 3.42Å
141I97.5Very high96.7Very high4 Ų455.2 Ų55.22%0.02133%0.328CS..Hα-helixtrans-69.1-52173.4-65.6164.7000110.1I126 L129 Q130 L136 T137 Q138 A139 E143 K144 L145I126-I141 HydrophobicContact CG1-CB 4.49Å; I126-I141 HydrophobicContact CG1-CG2 3.86Å; I126-I141 HydrophobicContact CG2-CD1 4.43Å; L129-I141 HydrophobicContact CB-CD1 3.89Å; L129-I141 HydrophobicContact CB-CG1 4.41Å; L129-I141 HydrophobicContact CD1-CG1 4.38Å; L129-I141 HydrophobicContact CD1-CG2 3.73Å; Q130-I141 HydrophobicContact CG-CD1 3.55Å; L136-I141 HydrophobicContact CB-CD1 3.99Å; L136-I141 HydrophobicContact CB-CG1 4.12Å; L136-I141 HydrophobicContact CD1-CG1 4.38Å; T137-I141 PolarHBondContact O-N 2.82Å; T137-I141 VanDerWaalsContact O-N 3.15Å; Q138-I141 PolarHBondContact O-N 3.45Å; A139-I141 VanDerWaalsContact C-N 3.3Å; A139-I141 PolarHBondContact O-N 3.48Å; I141-E143 PolarHBondContact O-N 3.13Å; I141-K144 PolarHBondContact O-N 3.33Å; I141-L145 HydrophobicContact CG2-CD2 4.19Å; I141-L145 HydrophobicContact CG2-CG 4.28Å; I141-L145 PolarHBondContact O-N 2.92Å
142M96.7Very high96.8Very high42 Ų4252.2 Ų52.221%0.20730%0.299CS..Hα-helixtrans-57.5-35.9-178.1-78-168.861.700112.7I126 Q138 A139 K144 L145I126-M142 HydrophobicContact CD1-CG 3.88Å; I126-M142 HydrophobicContact CD1-SD 4.36Å; Q138-M142 HydrophobicContact CG-CG 4.28Å; Q138-M142 HydrophobicContact CG-SD 4.15Å; Q138-M142 WeakPolarHBondContact O-CB 3.48Å; Q138-M142 WeakPolarHBondContact O-CG 3.46Å; Q138-M142 PolarHBondContact O-N 3.42Å; A139-M142 PolarHBondContact O-N 3.09Å; M142-K144 PolarHBondContact O-N 3.46Å; M142-L145 PolarHBondContact O-N 2.73Å
143E97Very high96.8Very high135 Ų13549.5 Ų49.563%0.63128%0.277SS*.Hα-helixtrans-57.5-31.5174.6-173.5-179.4-174.100112.6A139 I141 K167A139-E143 PolarHBondContact O-N 3.2Å; I141-E143 PolarHBondContact O-N 3.13Å; E143-K167 PolarHBondContact O-NZ 3.15Å
144K98.1Very high96.9Very high102 Ų10250.5 Ų50.544%0.44328%0.277SS..Hα-helixtrans-94-14.9-177.4-62.7-177179.3-175.60113.9I141 M142 V146 L196 I197I141-K144 PolarHBondContact O-N 3.33Å; M142-K144 PolarHBondContact O-N 3.46Å; K144-V146 PolarHBondContact O-N 2.97Å; K144-L196 CarbonylContact O-C 3.45Å; K144-L196 WeakPolarHBondContact O-CA 3.46Å; K144-I197 HydrophobicContact CB-CD1 3.83Å; K144-I197 HydrophobicContact CB-CG1 3.93Å; K144-I197 HydrophobicContact CD-CD1 4.34Å; K144-I197 PolarHBondContact O-N 2.9Å
145L98.6Very high97.1Very high0 Ų048.6 Ų48.60%027%0.266CS..EExtended strand (participates in β ladder)trans-65.5133.7-177.4-66.9-174.3000112R122 V125 I126 I141 M142 V166 I197 F199R122-L145 HydrophobicContact CG-CD1 3.63Å; V125-L145 HydrophobicContact CG1-CD2 3.84Å; I126-L145 HydrophobicContact CG1-CD1 4.49Å; I141-L145 HydrophobicContact CG2-CD2 4.19Å; I141-L145 HydrophobicContact CG2-CG 4.28Å; I141-L145 PolarHBondContact O-N 2.92Å; M142-L145 PolarHBondContact O-N 2.73Å; L145-V166 HydrophobicContact CB-CG1 4.45Å; L145-I197 WeakPolarHBondContact CA-O 3.31Å; L145-I197 HydrophobicContact CD2-CB 4.03Å; L145-I197 HydrophobicContact CD2-CG2 3.89Å; L145-F199 HydrophobicContact CB-CD1 3.7Å; L145-F199 HydrophobicContact CB-CE1 3.75Å; L145-F199 HydrophobicContact CD1-CD1 4.4Å; L145-F199 HydrophobicContact CD1-CE1 4.45Å; L145-F199 HydrophobicContact CD2-CB 4.16Å; L145-F199 HydrophobicContact CD2-CD1 4.05Å; L145-F199 HydrophobicContact CD2-CG 4.13Å; L145-F199 HydrophobicContact CG-CD1 4.25Å
146V98.8Very high97.3Very high0 Ų042 Ų420%024%0.236CC..EExtended strand (participates in β ladder)trans-133130173.959.30000111.2K144 Y148 K167 K169 D191 L196 I197 P198 F199K144-V146 PolarHBondContact O-N 2.97Å; V146-Y148 HydrophobicContact CG1-CE2 4.01Å; V146-Y148 WeakPolarHBondContact CG1-OH 3.27Å; V146-Y148 HydrophobicContact CG2-CE1 4.09Å; V146-Y148 HydrophobicContact CG2-CE2 4.3Å; V146-K167 HydrophobicContact CB-CB 4.34Å; V146-K167 HydrophobicContact CG2-CB 4.25Å; V146-K169 HydrophobicContact CG2-CD 3.93Å; V146-K169 HydrophobicContact CG2-CG 4.04Å; V146-D191 HydrophobicContact CG1-CB 4.45Å; V146-L196 HydrophobicContact CB-CB 4.48Å; V146-L196 HydrophobicContact CB-CD1 4.37Å; V146-L196 HydrophobicContact CG1-CB 3.8Å; V146-L196 HydrophobicContact CG1-CD1 4.31Å; V146-I197 PolarHBondContact N-O 3.26Å; V146-P198 HydrophobicContact CG1-CG 4.31Å; V146-P198 WeakPolarHBondContact O-CA 3.45Å; V146-F199 VanDerWaalsContact O-CD1 3.22Å; V146-F199 WeakPolarHBondContact O-CD1 3.46Å; V146-F199 PolarHBondContact O-N 3.14Å; V146-F199 VanDerWaalsContact O-N 3.15Å
147A98.8Very high97.4Very high0 Ų039.3 Ų39.30%022%0.222CC..EExtended strand (participates in β ladder)trans-104.8157.5174.700000110.7V166 K167 L168 K169 F199 F200A147-V166 HydrophobicContact CB-CG2 4.42Å; A147-K167 PolarHBondContact N-O 3.21Å; A147-L168 HydrophobicContact CB-CD1 3.88Å; A147-L168 CarbonylContact O-C 3.6Å; A147-L168 WeakPolarHBondContact O-CA 3.5Å; A147-K169 PolarHBondContact O-N 3.42Å; A147-F199 HydrophobicContact CB-CE1 3.88Å; A147-F199 HydrophobicContact CB-CZ 4.15Å; A147-F200 CarbonylContact C-O 3.56Å; A147-F200 VanDerWaalsContact CA-O 3.25Å; A147-F200 WeakPolarHBondContact CA-O 3.08Å; A147-F200 HydrophobicContact CB-CB 4Å; A147-F200 HydrophobicContact CB-CD1 4.14Å
148Y98.8Very high97.5Very high0 Ų041.9 Ų41.90%023%0.228CC..EExtended strand (participates in β ladder)trans-130.2150.9-177.9-56.7-83000111.9V146 K169 I171 L184 A187 L188 D191 P198 F200 M201 V202V146-Y148 HydrophobicContact CG1-CE2 4.01Å; V146-Y148 WeakPolarHBondContact CG1-OH 3.27Å; V146-Y148 HydrophobicContact CG2-CE1 4.09Å; V146-Y148 HydrophobicContact CG2-CE2 4.3Å; Y148-K169 VanDerWaalsContact CA-O 3.32Å; Y148-K169 WeakPolarHBondContact CA-O 3.44Å; Y148-K169 HydrophobicContact CD1-CB 4.01Å; Y148-K169 HydrophobicContact CE1-CB 4.17Å; Y148-K169 HydrophobicContact CE1-CD 4.36Å; Y148-I171 HydrophobicContact CD1-CD1 3.66Å; Y148-I171 HydrophobicContact CD1-CG1 4.31Å; Y148-I171 HydrophobicContact CE1-CD1 4.38Å; Y148-I171 HydrophobicContact CG-CD1 4.39Å; Y148-L184 HydrophobicContact CG-CD1 4.47Å; Y148-A187 HydrophobicContact CE1-CB 4.23Å; Y148-L188 HydrophobicContact CD2-CD2 4.1Å; Y148-L188 HydrophobicContact CE2-CD2 3.51Å; Y148-D191 WeakPolarHBondContact CE1-OD2 3.24Å; Y148-D191 VanDerWaalsContact OH-CB 3.23Å; Y148-D191 WeakPolarHBondContact OH-CB 3.26Å; Y148-D191 VanDerWaalsContact OH-CG 3.32Å; Y148-D191 PolarHBondContact OH-OD2 2.78Å; Y148-P198 HydrophobicContact CE2-CB 3.81Å; Y148-P198 HydrophobicContact CE2-CG 4.2Å; Y148-F200 PolarHBondContact N-O 2.8Å; Y148-M201 VanDerWaalsContact CB-SD 3.53Å; Y148-M201 CarbonylContact O-C 3.49Å; Y148-M201 WeakPolarHBondContact O-CA 3.37Å; Y148-M201 WeakPolarHBondContact O-CE 3.4Å; Y148-V202 PolarHBondContact O-N 2.81Å
149S98.4Very high97.6Very high8 Ų844.8 Ų44.86%0.05624%0.235CC..EExtended strand (participates in β ladder)trans-146.3160.7169.6720000109.6K169 A170 I171S149-K169 PolarHBondContact N-O 2.82Å; S149-K169 VanDerWaalsContact N-O 3.17Å; S149-A170 CarbonylContact O-C 3.59Å; S149-A170 WeakPolarHBondContact O-CA 3.18Å; S149-I171 PolarHBondContact O-N 3.48Å
150S95.8Very high97.7Very high1 Ų141.4 Ų41.41%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-57.6149.8161.6178.30000110.4Q152 A153 D214S150-Q152 PolarHBondContact O-N 3.26Å; S150-Q152 PolarHBondContact OG-N 2.83Å; S150-A153 WeakPolarHBondContact O-CB 3.28Å; S150-A153 PolarHBondContact O-N 3.42Å; S150-D214 WeakPolarHBondContact CB-OD1 3.2Å; S150-D214 VanDerWaalsContact CB-OD2 3.29Å; S150-D214 WeakPolarHBondContact CB-OD2 3.28Å; S150-D214 PolarHBondContact OG-OD1 2.9Å
151D96.2Very high97.8Very high70 Ų7040 Ų4037%0.37420%0.195SC..THydrogen-bonded Turntrans-65-10.617068.86.2000113.4A170 I171 P172 S173D151-A170 HydrophobicContact CB-CB 4.07Å; D151-I171 PolarHBondContact N-O 2.96Å; D151-P172 WeakPolarHBondContact OD2-CA 3.29Å; D151-S173 VanDerWaalsContact OD1-CB 3.24Å; D151-S173 WeakPolarHBondContact OD1-CB 3.27Å; D151-S173 PolarHBondContact OD1-N 2.63Å; D151-S173 PolarHBondContact OD1-OG 2.59Å; D151-S173 PolarHBondContact OD2-N 2.87Å
152Q97.4Very high97.8Very high20 Ų2046.6 Ų46.69%0.09323%0.23CC..THydrogen-bonded Turntrans-96.90.7172.8-56.7-51.3-57.800114S150 F177 T207 T209S150-Q152 PolarHBondContact O-N 3.26Å; S150-Q152 PolarHBondContact OG-N 2.83Å; Q152-F177 HydrophobicContact CG-CB 4Å; Q152-T207 HydrophobicContact CB-CG2 3.61Å; Q152-T209 PolarHBondContact OE1-OG1 3.19Å
153A97.4Very high97.9Very high23 Ų2349.7 Ų49.719%0.1925%0.247CC..SBendtrans-59.7149.6-179.100000111.2S150 V157S150-A153 WeakPolarHBondContact O-CB 3.28Å; S150-A153 PolarHBondContact O-N 3.42Å; A153-V157 HydrophobicContact CB-CB 4.38Å; A153-V157 HydrophobicContact CB-CG2 4Å
154H98.2Very high97.9Very high60 Ų6043.3 Ų43.328%0.27822%0.217SC..  trans-64.2149.1176.8-179.7-102.4000110.6S156 V157 T208H154-S156 WeakPolarHBondContact ND1-CB 3.43Å; H154-S156 PolarHBondContact ND1-N 3.25Å; H154-S156 PolarHBondContact ND1-OG 3.45Å; H154-S156 PolarHBondContact O-N 3.06Å; H154-V157 PolarHBondContact O-N 3.45Å; H154-T208 PolarHBondContact CD2-OG1 3.27Å; H154-T208 VanDerWaalsContact CD2-OG1 3.26Å
155S97.3Very high97.8Very high68 Ų6840.8 Ų40.848%0.47622%0.22SC..Hα-helixtrans-59.3-12.2-18060.30000114.3V157 E158 R159S155-V157 PolarHBondContact O-N 3.25Å; S155-E158 PolarHBondContact O-N 3.44Å; S155-R159 WeakPolarHBondContact O-CB 3.4Å; S155-R159 PolarHBondContact O-N 3.11Å
156S98Very high97.7Very high3 Ų341.7 Ų41.72%0.02123%0.225CC..Hα-helixtrans-62.2-29.8169.555.30000113.3S111 H154 R159 A160S111-S156 VanDerWaalsContact OG-CB 3.24Å; S111-S156 WeakPolarHBondContact OG-CB 3.23Å; H154-S156 WeakPolarHBondContact ND1-CB 3.43Å; H154-S156 PolarHBondContact ND1-N 3.25Å; H154-S156 PolarHBondContact ND1-OG 3.45Å; H154-S156 PolarHBondContact O-N 3.06Å; S156-R159 PolarHBondContact O-N 3.02Å; S156-A160 WeakPolarHBondContact O-CB 3.27Å; S156-A160 PolarHBondContact O-N 3.01Å
157V98.4Very high97.7Very high1 Ų146 Ų461%0.00624%0.244CC..Hα-helixtrans-71.1-44179.4-173.60000110.4T114 A153 H154 S155 R159 A160 G161 L168 V202T114-V157 HydrophobicContact CG2-CG2 4.27Å; A153-V157 HydrophobicContact CB-CB 4.38Å; A153-V157 HydrophobicContact CB-CG2 4Å; H154-V157 PolarHBondContact O-N 3.45Å; S155-V157 PolarHBondContact O-N 3.25Å; V157-R159 VanDerWaalsContact C-N 3.32Å; V157-R159 PolarHBondContact O-N 3.2Å; V157-A160 WeakPolarHBondContact O-CB 3.32Å; V157-A160 PolarHBondContact O-N 2.91Å; V157-G161 PolarHBondContact O-N 3.2Å; V157-L168 HydrophobicContact CG1-CD1 4.1Å; V157-L168 HydrophobicContact CG1-CD2 4.07Å; V157-V202 HydrophobicContact CG1-CB 4.1Å; V157-V202 HydrophobicContact CG1-CG2 3.65Å; V157-V202 HydrophobicContact CG2-CB 4.24Å; V157-V202 HydrophobicContact CG2-CG1 3.89Å; V157-V202 HydrophobicContact CG2-CG2 4.21Å
158E97.9Very high97.7Very high138 Ų13848.4 Ų48.465%0.64526%0.257SS*.Hα-helixtrans-58.5-45.2171-172-177.9-173.400111.4S155 A160 G161 L162 L168S155-E158 PolarHBondContact O-N 3.44Å; E158-A160 VanDerWaalsContact C-N 3.32Å; E158-A160 PolarHBondContact O-N 3.25Å; E158-G161 PolarHBondContact O-N 2.94Å; E158-L162 PolarHBondContact O-N 2.62Å; E158-L168 VanDerWaalsContact CA-CD2 3.44Å; E158-L168 HydrophobicContact CB-CD2 4.19Å
159R98.1Very high97.7Very high158 Ų15851.9 Ų51.960%0.59627%0.272SS*.Hα-helixtrans-62.1-38175.9-169.1169.7-60-150.7-1.3112.7S155 S156 V157 L162 I163S155-R159 WeakPolarHBondContact O-CB 3.4Å; S155-R159 PolarHBondContact O-N 3.11Å; S156-R159 PolarHBondContact O-N 3.02Å; V157-R159 VanDerWaalsContact C-N 3.32Å; V157-R159 PolarHBondContact O-N 3.2Å; R159-L162 PolarHBondContact O-N 3.49Å; R159-I163 HydrophobicContact CG-CD1 3.91Å; R159-I163 WeakPolarHBondContact O-CG1 3.38Å; R159-I163 PolarHBondContact O-N 3.4Å
160A98.4Very high97.6Very high2 Ų254.6 Ų54.62%0.01730%0.295CS..Hα-helixtrans-66.6-39.9175.500000111.4T114 L115 L118 S156 V157 E158 G164T114-A160 HydrophobicContact CG2-CB 4.1Å; L115-A160 HydrophobicContact CB-CB 4.15Å; L115-A160 HydrophobicContact CD1-CB 4.33Å; L118-A160 HydrophobicContact CD1-CB 4.11Å; S156-A160 WeakPolarHBondContact O-CB 3.27Å; S156-A160 PolarHBondContact O-N 3.01Å; V157-A160 WeakPolarHBondContact O-CB 3.32Å; V157-A160 PolarHBondContact O-N 2.91Å; E158-A160 VanDerWaalsContact C-N 3.32Å; E158-A160 PolarHBondContact O-N 3.25Å; A160-G164 WeakPolarHBondContact O-CA 3.24Å; A160-G164 PolarHBondContact O-N 3.36Å
161G98Very high97.8Very high4 Ų454.7 Ų54.74%0.04130%0.295CS..Hα-helixtrans-60.6-45.5172.400000112.4V157 E158 G164 G165 V166V157-G161 PolarHBondContact O-N 3.2Å; E158-G161 PolarHBondContact O-N 2.94Å; G161-G164 PolarHBondContact O-N 3.47Å; G161-G165 PolarHBondContact O-N 3.06Å; G161-V166 PolarHBondContact O-N 2.83Å; G161-V166 VanDerWaalsContact O-N 3.11Å
162L97.7Very high97.8Very high143 Ų14355.2 Ų55.275%0.74930%0.302SS*.Hα-helixtrans-59.8-53.9177.1-176.674.1000112E158 R159 G164 G165E158-L162 PolarHBondContact O-N 2.62Å; R159-L162 PolarHBondContact O-N 3.49Å; L162-G164 VanDerWaalsContact C-N 3.33Å; L162-G165 PolarHBondContact O-N 3.26Å
163I98.2Very high97.8Very high108 Ų10855.1 Ų55.155%0.55430%0.304SS*.Hα-helixtrans-67.8-36.6-179.9-64.3168.6000110.9L115 R159 G165L115-I163 HydrophobicContact CD1-CB 4.13Å; L115-I163 HydrophobicContact CD1-CG2 3.97Å; L115-I163 HydrophobicContact CD2-CB 4.33Å; L115-I163 HydrophobicContact CD2-CD1 4.24Å; L115-I163 HydrophobicContact CD2-CG2 3.79Å; R159-I163 HydrophobicContact CG-CD1 3.91Å; R159-I163 WeakPolarHBondContact O-CG1 3.38Å; R159-I163 PolarHBondContact O-N 3.4Å; I163-G165 PolarHBondContact O-N 3.23Å
164G97.1Very high97.7Very high1 Ų155.9 Ų55.91%0.0131%0.305CS..Hα-helixtrans-70.9-12.1177.300000114R122 A160 G161 L162R122-G164 PolarHBondContact NH1-O 3.22Å; A160-G164 WeakPolarHBondContact O-CA 3.24Å; A160-G164 PolarHBondContact O-N 3.36Å; G161-G164 PolarHBondContact O-N 3.47Å; L162-G164 VanDerWaalsContact C-N 3.33Å
165G97Very high97.5Very high49 Ų4955.6 Ų55.651%0.50532%0.317SS..THydrogen-bonded Turntrans62.440.1-179.600000112.8G161 L162 I163G161-G165 PolarHBondContact O-N 3.06Å; L162-G165 PolarHBondContact O-N 3.26Å; I163-G165 PolarHBondContact O-N 3.23Å
166V96.6Very high97.4Very high18 Ų1857.8 Ų57.811%0.10932%0.324CS..  trans-125.5153.1-178.5-63.70000111.4L118 R122 L145 A147 G161 L168 F199L118-V166 HydrophobicContact CD1-CG2 3.97Å; L118-V166 HydrophobicContact CD2-CG2 4.04Å; L118-V166 HydrophobicContact CG-CG2 4.4Å; R122-V166 HydrophobicContact CG-CG1 4.38Å; L145-V166 HydrophobicContact CB-CG1 4.45Å; A147-V166 HydrophobicContact CB-CG2 4.42Å; G161-V166 PolarHBondContact O-N 2.83Å; G161-V166 VanDerWaalsContact O-N 3.11Å; V166-L168 PolarHBondContact O-N 3.25Å; V166-F199 HydrophobicContact CB-CE1 4.15Å; V166-F199 HydrophobicContact CB-CZ 4.12Å; V166-F199 HydrophobicContact CG1-CE1 4.09Å; V166-F199 HydrophobicContact CG1-CZ 3.8Å; V166-F199 HydrophobicContact CG2-CE1 4.41Å; V166-F199 HydrophobicContact CG2-CZ 4.09Å
167K98.3Very high97.4Very high92 Ų9258.4 Ų58.440%0.433%0.326SS..EExtended strand (participates in β ladder)trans-67.1131.4170.8-63.4174.5174.466.60108.5E143 V146 A147 L196E143-K167 PolarHBondContact O-NZ 3.15Å; V146-K167 HydrophobicContact CB-CB 4.34Å; V146-K167 HydrophobicContact CG2-CB 4.25Å; A147-K167 PolarHBondContact N-O 3.21Å; K167-L196 HydrophobicContact CD-CD2 4.29Å
168L98.4Very high97.3Very high50 Ų5058.7 Ų58.726%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-117.4134.2171.8-178.570.6000109.2A147 V157 E158 V166A147-L168 HydrophobicContact CB-CD1 3.88Å; A147-L168 CarbonylContact O-C 3.6Å; A147-L168 WeakPolarHBondContact O-CA 3.5Å; V157-L168 HydrophobicContact CG1-CD1 4.1Å; V157-L168 HydrophobicContact CG1-CD2 4.07Å; E158-L168 VanDerWaalsContact CA-CD2 3.44Å; E158-L168 HydrophobicContact CB-CD2 4.19Å; V166-L168 PolarHBondContact O-N 3.25Å
169K98.4Very high97.3Very high73 Ų7352.1 Ų52.132%0.31730%0.298SS..EExtended strand (participates in β ladder)trans-124.7131.1175.2-66.2-175.9-175.81760110.9V146 A147 Y148 S149 D191V146-K169 HydrophobicContact CG2-CD 3.93Å; V146-K169 HydrophobicContact CG2-CG 4.04Å; A147-K169 PolarHBondContact O-N 3.42Å; Y148-K169 VanDerWaalsContact CA-O 3.32Å; Y148-K169 WeakPolarHBondContact CA-O 3.44Å; Y148-K169 HydrophobicContact CD1-CB 4.01Å; Y148-K169 HydrophobicContact CE1-CB 4.17Å; Y148-K169 HydrophobicContact CE1-CD 4.36Å; S149-K169 PolarHBondContact N-O 2.82Å; S149-K169 VanDerWaalsContact N-O 3.17Å; K169-D191 VanDerWaalsContact CD-OD2 3.27Å; K169-D191 WeakPolarHBondContact CD-OD2 3.33Å; K169-D191 IonicContact NZ-OD1 3.97Å; K169-D191 PolarHBondContact NZ-OD1 2.66Å; K169-D191 IonicContact NZ-OD2 3.38Å; K169-D191 PolarHBondContact NZ-OD2 2.83Å
170A97.8Very high97.2Very high65 Ų6548.3 Ų48.354%0.53728%0.284SS..EExtended strand (participates in β ladder)trans-77.9133.1172.400000110.3S149 D151S149-A170 CarbonylContact O-C 3.59Å; S149-A170 WeakPolarHBondContact O-CA 3.18Å; D151-A170 HydrophobicContact CB-CB 4.07Å
171I98.3Very high97Very high2 Ų249.2 Ų49.21%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-93.6126.2171.6-56.1-57.1000107.9Y148 S149 D151 S173 M179 A183 L184 A187Y148-I171 HydrophobicContact CD1-CD1 3.66Å; Y148-I171 HydrophobicContact CD1-CG1 4.31Å; Y148-I171 HydrophobicContact CE1-CD1 4.38Å; Y148-I171 HydrophobicContact CG-CD1 4.39Å; S149-I171 PolarHBondContact O-N 3.48Å; D151-I171 PolarHBondContact N-O 2.96Å; I171-S173 PolarHBondContact O-N 3.23Å; I171-M179 HydrophobicContact CB-CG 4.1Å; I171-M179 HydrophobicContact CB-SD 3.71Å; I171-M179 HydrophobicContact CG1-SD 3.98Å; I171-M179 HydrophobicContact CG2-CG 3.71Å; I171-M179 HydrophobicContact CG2-SD 3.9Å; I171-A183 HydrophobicContact CG2-CB 3.64Å; I171-L184 HydrophobicContact CD1-CD1 4.24Å; I171-L184 HydrophobicContact CG1-CD1 4.21Å; I171-A187 HydrophobicContact CD1-CB 3.38Å
172P96.9Very high96.9Very high82 Ų8252.7 Ų52.753%0.53232%0.315SS..PPolyproline II helixtrans-57.3137.2177.7-25.534.5000112.4D151D151-P172 WeakPolarHBondContact OD2-CA 3.29Å
173S97.1Very high97Very high17 Ų1746.9 Ų46.912%0.11929%0.288CS..BIsolated β-bridgetrans-90.4158.6173.257.80000112.7D151 I171 F177 A178D151-S173 VanDerWaalsContact OD1-CB 3.24Å; D151-S173 WeakPolarHBondContact OD1-CB 3.27Å; D151-S173 PolarHBondContact OD1-N 2.63Å; D151-S173 PolarHBondContact OD1-OG 2.59Å; D151-S173 PolarHBondContact OD2-N 2.87Å; I171-S173 PolarHBondContact O-N 3.23Å; S173-F177 VanDerWaalsContact CB-C 3.47Å; S173-A178 WeakPolarHBondContact CA-O 3.5Å
174D96.1Very high97Very high40 Ų4041.8 Ų41.821%0.21426%0.262CS..  trans-76.5-167.6-179.873.32.8000113.4N176 F177 A178 R180 R403D174-N176 PolarHBondContact O-N 3.22Å; D174-N176 WeakPolarHBondContact OD1-CA 3.42Å; D174-N176 WeakPolarHBondContact OD1-CB 3.27Å; D174-N176 PolarHBondContact OD1-N 3.28Å; D174-F177 PolarHBondContact O-N 3.29Å; D174-F177 VanDerWaalsContact O-N 3.08Å; D174-F177 PolarHBondContact OD1-N 3.39Å; D174-F177 VanDerWaalsContact OD1-N 3.14Å; D174-A178 PolarHBondContact N-O 2.96Å; D174-A178 PolarHBondContact OD1-N 3.23Å; D174-R180 HydrophobicContact CB-CG 3.92Å; D174-R180 WeakPolarHBondContact OD2-CD 3.19Å; D174-R180 IonicContact OD2-NH1 3.8Å; D174-R403 PolarHBondContact O-NH2 2.74Å
175G94.1Very high97Very high53 Ų5344.1 Ų44.155%0.54627%0.272SS..THydrogen-bonded Turntrans-59.8-24.4175.700000114.9
176N94.7Very high97.1Very high114 Ų11447.1 Ų47.161%0.6127%0.273SS*.THydrogen-bonded Turntrans-99.611.7178.4-62.1-32.9000111.9D174 A178 S212D174-N176 PolarHBondContact O-N 3.22Å; D174-N176 WeakPolarHBondContact OD1-CA 3.42Å; D174-N176 WeakPolarHBondContact OD1-CB 3.27Å; D174-N176 PolarHBondContact OD1-N 3.28Å; N176-A178 PolarHBondContact O-N 3.47Å; N176-S212 WeakPolarHBondContact O-CB 3.35Å
177F97.3Very high97.1Very high16 Ų1646.7 Ų46.77%0.0727%0.271CS..SBendtrans60.830.1-178.9-52.4-84.4000112.7Q152 S173 D174 S212 V364 L402 R403Q152-F177 HydrophobicContact CG-CB 4Å; S173-F177 VanDerWaalsContact CB-C 3.47Å; D174-F177 PolarHBondContact O-N 3.29Å; D174-F177 VanDerWaalsContact O-N 3.08Å; D174-F177 PolarHBondContact OD1-N 3.39Å; D174-F177 VanDerWaalsContact OD1-N 3.14Å; F177-S212 VanDerWaalsContact O-CB 3.27Å; F177-S212 WeakPolarHBondContact O-CB 3.37Å; F177-S212 PolarHBondContact O-OG 2.66Å; F177-V364 HydrophobicContact CD2-CG2 4.43Å; F177-L402 HydrophobicContact CE1-CB 4Å; F177-L402 HydrophobicContact CE1-CD2 4.31Å; F177-L402 HydrophobicContact CE2-CD1 4.24Å; F177-L402 HydrophobicContact CZ-CB 3.75Å; F177-L402 HydrophobicContact CZ-CD1 4.23Å; F177-L402 HydrophobicContact CZ-CD2 4.37Å; F177-L402 HydrophobicContact CZ-CG 4.33Å; F177-R403 HydrophobicContact CE1-CG 4.19Å
178A97.2Very high97.2Very high8 Ų842.3 Ų42.37%0.06625%0.252CS..  trans-106.2134.2174.500000110.7S173 D174 N176 F213S173-A178 WeakPolarHBondContact CA-O 3.5Å; D174-A178 PolarHBondContact N-O 2.96Å; D174-A178 PolarHBondContact OD1-N 3.23Å; N176-A178 PolarHBondContact O-N 3.47Å; A178-F213 WeakPolarHBondContact CB-O 3.28Å
179M97.1Very high97.1Very high0 Ų045.2 Ų45.20%027%0.265CS..BIsolated β-bridgetrans-69.7136.6170.2-179.6-179.356.900110.8I171 M201 A203 D214 N215 V219I171-M179 HydrophobicContact CB-CG 4.1Å; I171-M179 HydrophobicContact CB-SD 3.71Å; I171-M179 HydrophobicContact CG1-SD 3.98Å; I171-M179 HydrophobicContact CG2-CG 3.71Å; I171-M179 HydrophobicContact CG2-SD 3.9Å; M179-M201 HydrophobicContact CE-CE 3.31Å; M179-M201 HydrophobicContact CE-SD 4.02Å; M179-M201 HydrophobicContact SD-CE 3.44Å; M179-M201 WeakPolarHBondContact SD-CE 3.49Å; M179-M201 HydrophobicContact SD-SD 4.04Å; M179-A203 HydrophobicContact CE-CB 4.29Å; M179-D214 HydrophobicContact CB-CB 4.18Å; M179-D214 WeakPolarHBondContact CB-OD1 3.35Å; M179-D214 HydrophobicContact CE-CB 4.21Å; M179-D214 PolarHBondContact N-OD1 2.81Å; M179-N215 PolarHBondContact O-N 2.89Å; M179-V219 HydrophobicContact CE-CG1 4.05Å; M179-V219 HydrophobicContact CE-CG2 3.83Å
180R95.6Very high97.2Very high77 Ų7749.3 Ų49.329%0.29128%0.278SS..  trans-117.2158.2-177.4-53.4-52.7-64-146.3-5.6112.3D174 S182 A183 L184 N215 E218D174-R180 HydrophobicContact CB-CG 3.92Å; D174-R180 WeakPolarHBondContact OD2-CD 3.19Å; D174-R180 IonicContact OD2-NH1 3.8Å; R180-S182 VanDerWaalsContact C-N 3.32Å; R180-S182 PolarHBondContact O-N 2.92Å; R180-A183 PolarHBondContact O-N 3.47Å; R180-L184 PolarHBondContact O-N 2.74Å; R180-N215 PolarHBondContact NH2-ND2 3.17Å; R180-E218 IonicContact CZ-OE1 2.97Å; R180-E218 IonicContact CZ-OE2 3.35Å; R180-E218 IonicContact NE-OE1 3.91Å; R180-E218 IonicContact NE-OE2 3.84Å; R180-E218 PolarHBondContact NE-OE2 3.01Å; R180-E218 VanDerWaalsContact NH2-CD 3.27Å; R180-E218 IonicContact NH2-OE1 3.01Å; R180-E218 PolarHBondContact NH2-OE1 3.37Å; R180-E218 IonicContact NH2-OE2 3.39Å; R180-E218 PolarHBondContact NH2-OE2 3.33Å
181A95.6Very high97.2Very high22 Ų2246.5 Ų46.518%0.18225%0.254CS..Hα-helixtrans-54.5-43.1178.600000113.7L184 Q185 E218 I222A181-L184 PolarHBondContact O-N 2.64Å; A181-Q185 WeakPolarHBondContact O-CB 3.22Å; A181-Q185 PolarHBondContact O-N 3.45Å; A181-E218 HydrophobicContact CB-CB 3.74Å; A181-E218 HydrophobicContact CB-CG 4.22Å; A181-E218 PolarHBondContact N-OE2 3.47Å; A181-I222 HydrophobicContact CB-CD1 3.54Å
182S96.6Very high97.2Very high76 Ų7650.3 Ų50.353%0.53127%0.27SS..Hα-helixtrans-61-49.3-175.351.30000112.7R180 L184 Q185 E186R180-S182 VanDerWaalsContact C-N 3.32Å; R180-S182 PolarHBondContact O-N 2.92Å; S182-L184 VanDerWaalsContact C-N 3.31Å; S182-L184 PolarHBondContact O-N 3.18Å; S182-Q185 PolarHBondContact O-N 2.89Å; S182-E186 WeakPolarHBondContact O-CG 3.07Å; S182-E186 PolarHBondContact O-N 3.08Å
183A97.8Very high97.3Very high22 Ų2250.7 Ų50.718%0.18228%0.28CS..Hα-helixtrans-64-36.6-179.900000112.2I171 R180 A187I171-A183 HydrophobicContact CG2-CB 3.64Å; R180-A183 PolarHBondContact O-N 3.47Å; A183-A187 PolarHBondContact O-N 3.25Å
184L98.2Very high97.3Very high1 Ų153.3 Ų53.31%0.00530%0.303CS..Hα-helixtrans-66.1-48.7173.317759.7000111Y148 I171 R180 A181 S182 E186 A187 L188 M201 V219 I222Y148-L184 HydrophobicContact CG-CD1 4.47Å; I171-L184 HydrophobicContact CD1-CD1 4.24Å; I171-L184 HydrophobicContact CG1-CD1 4.21Å; R180-L184 PolarHBondContact O-N 2.74Å; A181-L184 PolarHBondContact O-N 2.64Å; S182-L184 VanDerWaalsContact C-N 3.31Å; S182-L184 PolarHBondContact O-N 3.18Å; L184-E186 VanDerWaalsContact C-N 3.34Å; L184-E186 PolarHBondContact O-N 3.14Å; L184-A187 WeakPolarHBondContact O-CB 3.42Å; L184-A187 PolarHBondContact O-N 2.82Å; L184-A187 VanDerWaalsContact O-N 3.11Å; L184-L188 HydrophobicContact CD1-CD1 4.2Å; L184-L188 HydrophobicContact CD1-CD2 4.25Å; L184-L188 HydrophobicContact CD1-CG 3.99Å; L184-L188 HydrophobicContact CG-CD1 4.05Å; L184-L188 HydrophobicContact CG-CG 4.25Å; L184-L188 VanDerWaalsContact O-CG 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 3.33Å; L184-M201 HydrophobicContact CD1-SD 3.81Å; L184-M201 HydrophobicContact CD2-SD 4.19Å; L184-V219 HydrophobicContact CD2-CB 4.4Å; L184-V219 HydrophobicContact CD2-CG1 3.73Å; L184-V219 HydrophobicContact CD2-CG2 4.34Å; L184-I222 HydrophobicContact CD2-CB 4.41Å; L184-I222 HydrophobicContact CD2-CG2 4.14Å; L184-I222 HydrophobicContact CG-CG2 4.44Å
185Q98.1Very high97.4Very high49 Ų4953.4 Ų53.423%0.22931%0.314CS..Hα-helixtrans-57.4-45.9-178.7-173.163.243.900111.7A181 S182 A187 L188 E189A181-Q185 WeakPolarHBondContact O-CB 3.22Å; A181-Q185 PolarHBondContact O-N 3.45Å; S182-Q185 PolarHBondContact O-N 2.89Å; Q185-A187 VanDerWaalsContact C-N 3.33Å; Q185-A187 PolarHBondContact O-N 2.88Å; Q185-L188 PolarHBondContact O-N 3.26Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.39Å; Q185-E189 PolarHBondContact NE2-OE1 3.06Å; Q185-E189 WeakPolarHBondContact O-CG 3.27Å; Q185-E189 PolarHBondContact O-N 2.72Å
186E98.1Very high97.6Very high113 Ų11352.4 Ų52.453%0.52830%0.296SS..Hα-helixtrans-60.4-40.5176.1-72.6175.9-164.300112.7S182 L184 R190S182-E186 WeakPolarHBondContact O-CG 3.07Å; S182-E186 PolarHBondContact O-N 3.08Å; L184-E186 VanDerWaalsContact C-N 3.34Å; L184-E186 PolarHBondContact O-N 3.14Å; E186-R190 WeakPolarHBondContact O-CB 3.44Å; E186-R190 PolarHBondContact O-N 3.2Å; E186-R190 VanDerWaalsContact O-N 3.11Å
187A98.4Very high97.8Very high8 Ų848.9 Ų48.97%0.06628%0.277CS..Hα-helixtrans-67.2-41.6177.500000111.8Y148 I171 A183 L184 Q185 D191Y148-A187 HydrophobicContact CE1-CB 4.23Å; I171-A187 HydrophobicContact CD1-CB 3.38Å; A183-A187 PolarHBondContact O-N 3.25Å; L184-A187 WeakPolarHBondContact O-CB 3.42Å; L184-A187 PolarHBondContact O-N 2.82Å; L184-A187 VanDerWaalsContact O-N 3.11Å; Q185-A187 VanDerWaalsContact C-N 3.33Å; Q185-A187 PolarHBondContact O-N 2.88Å; A187-D191 VanDerWaalsContact O-CB 3.3Å; A187-D191 WeakPolarHBondContact O-CB 3.33Å; A187-D191 VanDerWaalsContact O-CG 3.24Å; A187-D191 PolarHBondContact O-N 3.36Å
188L98.4Very high97.9Very high0 Ų048.8 Ų48.80%028%0.277CS..Hα-helixtrans-63.5-45.4177.1-66.4-178.8000111.7Y148 L184 Q185 D191 K192 P198 I222 E226 I228Y148-L188 HydrophobicContact CD2-CD2 4.1Å; Y148-L188 HydrophobicContact CE2-CD2 3.51Å; L184-L188 HydrophobicContact CD1-CD1 4.2Å; L184-L188 HydrophobicContact CD1-CD2 4.25Å; L184-L188 HydrophobicContact CD1-CG 3.99Å; L184-L188 HydrophobicContact CG-CD1 4.05Å; L184-L188 HydrophobicContact CG-CG 4.25Å; L184-L188 VanDerWaalsContact O-CG 3.32Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 3.33Å; Q185-L188 PolarHBondContact O-N 3.26Å; L188-D191 PolarHBondContact O-N 2.7Å; L188-K192 WeakPolarHBondContact O-CB 3.39Å; L188-K192 WeakPolarHBondContact O-CG 3.49Å; L188-K192 PolarHBondContact O-N 2.93Å; L188-P198 HydrophobicContact CD2-CB 3.64Å; L188-P198 HydrophobicContact CD2-CG 3.74Å; L188-I222 HydrophobicContact CD1-CG2 3.55Å; L188-E226 HydrophobicContact CD1-CG 4.21Å; L188-I228 HydrophobicContact CD1-CD1 3.82Å; L188-I228 HydrophobicContact CD2-CD1 3.54Å; L188-I228 HydrophobicContact CG-CD1 4.36Å
189E98.4Very high98Very high112 Ų11248.4 Ų48.452%0.52327%0.274SS..Hα-helixtrans-61.6-47.1178.7-75171.6-171.500111.8Q185 D191 A193Q185-E189 WeakPolarHBondContact CG-OE1 3.39Å; Q185-E189 PolarHBondContact NE2-OE1 3.06Å; Q185-E189 WeakPolarHBondContact O-CG 3.27Å; Q185-E189 PolarHBondContact O-N 2.72Å; E189-D191 VanDerWaalsContact C-N 3.33Å; E189-D191 PolarHBondContact O-N 2.74Å; E189-A193 VanDerWaalsContact O-CB 3.31Å; E189-A193 WeakPolarHBondContact O-CB 3.3Å; E189-A193 PolarHBondContact O-N 3.39Å
190R98.5Very high98.1Very high159 Ų15948.4 Ų48.460%0.627%0.274SS*.Hα-helixtrans-58.6-45176.8-173.3-171.3-55.1132.66.5112E186 A193 A194E186-R190 WeakPolarHBondContact O-CB 3.44Å; E186-R190 PolarHBondContact O-N 3.2Å; E186-R190 VanDerWaalsContact O-N 3.11Å; R190-A193 PolarHBondContact O-N 3.27Å; R190-A194 PolarHBondContact O-N 2.87Å
191D98.6Very high98.2Very high5 Ų544.8 Ų44.83%0.02726%0.261CS..Hα-helixtrans-75.7-37.4-173.7-75.9-5.8000112.6V146 Y148 K169 A187 L188 E189 A194 G195 L196V146-D191 HydrophobicContact CG1-CB 4.45Å; Y148-D191 WeakPolarHBondContact CE1-OD2 3.24Å; Y148-D191 VanDerWaalsContact OH-CB 3.23Å; Y148-D191 WeakPolarHBondContact OH-CB 3.26Å; Y148-D191 VanDerWaalsContact OH-CG 3.32Å; Y148-D191 PolarHBondContact OH-OD2 2.78Å; K169-D191 VanDerWaalsContact CD-OD2 3.27Å; K169-D191 WeakPolarHBondContact CD-OD2 3.33Å; K169-D191 IonicContact NZ-OD1 3.97Å; K169-D191 PolarHBondContact NZ-OD1 2.66Å; K169-D191 IonicContact NZ-OD2 3.38Å; K169-D191 PolarHBondContact NZ-OD2 2.83Å; A187-D191 VanDerWaalsContact O-CB 3.3Å; A187-D191 WeakPolarHBondContact O-CB 3.33Å; A187-D191 VanDerWaalsContact O-CG 3.24Å; A187-D191 PolarHBondContact O-N 3.36Å; L188-D191 PolarHBondContact O-N 2.7Å; E189-D191 VanDerWaalsContact C-N 3.33Å; E189-D191 PolarHBondContact O-N 2.74Å; D191-A194 CarbonylContact O-C 3.55Å; D191-A194 PolarHBondContact O-N 2.92Å; D191-G195 PolarHBondContact O-N 3.44Å; D191-L196 HydrophobicContact CB-CB 4.18Å; D191-L196 HydrophobicContact CB-CD1 4.08Å; D191-L196 VanDerWaalsContact O-CB 3.32Å; D191-L196 WeakPolarHBondContact O-CB 3.36Å; D191-L196 PolarHBondContact O-N 3.29Å
192K98.5Very high98.4Very high82 Ų8243.8 Ų43.836%0.35725%0.252SS..Hα-helixtrans-63.2-42170.3-72.6172.3174.9-172.10111.6L188 A194 G195 P198 E226L188-K192 WeakPolarHBondContact O-CB 3.39Å; L188-K192 WeakPolarHBondContact O-CG 3.49Å; L188-K192 PolarHBondContact O-N 2.93Å; K192-A194 PolarHBondContact O-N 3.41Å; K192-G195 PolarHBondContact O-N 3.09Å; K192-P198 HydrophobicContact CG-CG 4.03Å; K192-E226 IonicContact NZ-OE1 3.79Å; K192-E226 PolarHBondContact NZ-OE1 2.94Å; K192-E226 IonicContact NZ-OE2 2.73Å; K192-E226 PolarHBondContact NZ-OE2 2.72Å
193A98.4Very high98.5Very high90 Ų9040.1 Ų40.174%0.74423%0.227SC*.Hα-helixtrans-61.9-30174.400000112.3E189 R190 G195E189-A193 VanDerWaalsContact O-CB 3.31Å; E189-A193 WeakPolarHBondContact O-CB 3.3Å; E189-A193 PolarHBondContact O-N 3.39Å; R190-A193 PolarHBondContact O-N 3.27Å; A193-G195 VanDerWaalsContact C-N 3.26Å; A193-G195 PolarHBondContact O-N 2.74Å
194A98.4Very high98.5Very high72 Ų7239.3 Ų39.360%0.59522%0.219SC*.THydrogen-bonded Turntrans-81.54.1172.500000114.2R190 D191 K192 L196R190-A194 PolarHBondContact O-N 2.87Å; D191-A194 CarbonylContact O-C 3.55Å; D191-A194 PolarHBondContact O-N 2.92Å; K192-A194 PolarHBondContact O-N 3.41Å; A194-L196 VanDerWaalsContact C-N 3.31Å; A194-L196 PolarHBondContact O-N 3.5Å
195G97.9Very high98.5Very high43 Ų4339.3 Ų39.344%0.44322%0.219SC..THydrogen-bonded Turntrans75.314.5179.800000114.9D191 K192 A193D191-G195 PolarHBondContact O-N 3.44Å; K192-G195 PolarHBondContact O-N 3.09Å; A193-G195 VanDerWaalsContact C-N 3.26Å; A193-G195 PolarHBondContact O-N 2.74Å
196L98.6Very high98.6Very high32 Ų3237.3 Ų37.317%0.16821%0.212CC..  trans-79.9160.6172-57.9177.7000110.9K144 V146 K167 D191 A194 P198K144-L196 CarbonylContact O-C 3.45Å; K144-L196 WeakPolarHBondContact O-CA 3.46Å; V146-L196 HydrophobicContact CB-CB 4.48Å; V146-L196 HydrophobicContact CB-CD1 4.37Å; V146-L196 HydrophobicContact CG1-CB 3.8Å; V146-L196 HydrophobicContact CG1-CD1 4.31Å; K167-L196 HydrophobicContact CD-CD2 4.29Å; D191-L196 HydrophobicContact CB-CB 4.18Å; D191-L196 HydrophobicContact CB-CD1 4.08Å; D191-L196 VanDerWaalsContact O-CB 3.32Å; D191-L196 WeakPolarHBondContact O-CB 3.36Å; D191-L196 PolarHBondContact O-N 3.29Å; A194-L196 VanDerWaalsContact C-N 3.31Å; A194-L196 PolarHBondContact O-N 3.5Å; L196-P198 WeakPolarHBondContact O-CD 3.48Å
197I98.6Very high98.6Very high40 Ų4032 Ų3221%0.20519%0.187CC..EExtended strand (participates in β ladder)trans-11796.5-177.7-57.8172.4000108.2V125 L129 K144 L145 V146 F199V125-I197 HydrophobicContact CG1-CG2 4.26Å; L129-I197 HydrophobicContact CD1-CD1 3.78Å; L129-I197 HydrophobicContact CD1-CG2 4.48Å; K144-I197 HydrophobicContact CB-CD1 3.83Å; K144-I197 HydrophobicContact CB-CG1 3.93Å; K144-I197 HydrophobicContact CD-CD1 4.34Å; K144-I197 PolarHBondContact O-N 2.9Å; L145-I197 WeakPolarHBondContact CA-O 3.31Å; L145-I197 HydrophobicContact CD2-CB 4.03Å; L145-I197 HydrophobicContact CD2-CG2 3.89Å; V146-I197 PolarHBondContact N-O 3.26Å; I197-F199 PolarHBondContact O-N 3.05Å
198P98.8Very high98.5Very high13 Ų1334.2 Ų34.28%0.08420%0.2CC..EExtended strand (participates in β ladder)trans-53.8128.8166.4-29.338.5000111.2V146 Y148 L188 K192 L196 I228V146-P198 HydrophobicContact CG1-CG 4.31Å; V146-P198 WeakPolarHBondContact O-CA 3.45Å; Y148-P198 HydrophobicContact CE2-CB 3.81Å; Y148-P198 HydrophobicContact CE2-CG 4.2Å; L188-P198 HydrophobicContact CD2-CB 3.64Å; L188-P198 HydrophobicContact CD2-CG 3.74Å; K192-P198 HydrophobicContact CG-CG 4.03Å; L196-P198 WeakPolarHBondContact O-CD 3.48Å; P198-I228 HydrophobicContact CB-CD1 3.55Å; P198-I228 HydrophobicContact CB-CG1 3.9Å
199F98.8Very high98.3Very high1 Ų135.9 Ų35.90%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-142.3-21.1-178.483.6-79.3000115.8L118 A121 R122 V125 L145 V146 A147 V166 I197 W229L118-F199 HydrophobicContact CG-CZ 4.47Å; A121-F199 HydrophobicContact CB-CD2 4.04Å; A121-F199 HydrophobicContact CB-CE2 4.17Å; R122-F199 HydrophobicContact CB-CD2 4.47Å; R122-F199 HydrophobicContact CB-CE2 3.8Å; R122-F199 HydrophobicContact CB-CZ 4.44Å; R122-F199 HydrophobicContact CG-CE2 4.48Å; V125-F199 HydrophobicContact CB-CB 4.39Å; V125-F199 HydrophobicContact CG1-CB 4.4Å; V125-F199 HydrophobicContact CG2-CB 3.93Å; L145-F199 HydrophobicContact CB-CD1 3.7Å; L145-F199 HydrophobicContact CB-CE1 3.75Å; L145-F199 HydrophobicContact CD1-CD1 4.4Å; L145-F199 HydrophobicContact CD1-CE1 4.45Å; L145-F199 HydrophobicContact CD2-CB 4.16Å; L145-F199 HydrophobicContact CD2-CD1 4.05Å; L145-F199 HydrophobicContact CD2-CG 4.13Å; L145-F199 HydrophobicContact CG-CD1 4.25Å; V146-F199 VanDerWaalsContact O-CD1 3.22Å; V146-F199 WeakPolarHBondContact O-CD1 3.46Å; V146-F199 PolarHBondContact O-N 3.14Å; V146-F199 VanDerWaalsContact O-N 3.15Å; A147-F199 HydrophobicContact CB-CE1 3.88Å; A147-F199 HydrophobicContact CB-CZ 4.15Å; V166-F199 HydrophobicContact CB-CE1 4.15Å; V166-F199 HydrophobicContact CB-CZ 4.12Å; V166-F199 HydrophobicContact CG1-CE1 4.09Å; V166-F199 HydrophobicContact CG1-CZ 3.8Å; V166-F199 HydrophobicContact CG2-CE1 4.41Å; V166-F199 HydrophobicContact CG2-CZ 4.09Å; I197-F199 PolarHBondContact O-N 3.05Å; F199-W229 WeakPolarHBondContact O-CB 3.23Å; F199-W229 PolarHBondContact O-N 3.39Å
200F98.9Very high98.2Very high0 Ų030.6 Ų30.60%019%0.186CC..EExtended strand (participates in β ladder)trans-144.4136.6-175.6-173.1-103.9000111.6A117 L118 A121 A147 Y148 V202 W229 H231A117-F200 HydrophobicContact CB-CE2 3.9Å; A117-F200 HydrophobicContact CB-CZ 4.05Å; L118-F200 HydrophobicContact CB-CD1 4.3Å; L118-F200 HydrophobicContact CB-CE1 3.91Å; L118-F200 HydrophobicContact CB-CE2 4.19Å; L118-F200 HydrophobicContact CB-CZ 3.86Å; L118-F200 HydrophobicContact CD1-CD1 4.15Å; L118-F200 HydrophobicContact CD1-CE1 4.13Å; L118-F200 HydrophobicContact CG-CD1 4.25Å; L118-F200 HydrophobicContact CG-CE1 4.28Å; A121-F200 HydrophobicContact CB-CB 4.47Å; A121-F200 HydrophobicContact CB-CD2 3.6Å; A121-F200 HydrophobicContact CB-CE2 4.3Å; A121-F200 HydrophobicContact CB-CG 4.46Å; A147-F200 CarbonylContact C-O 3.56Å; A147-F200 VanDerWaalsContact CA-O 3.25Å; A147-F200 WeakPolarHBondContact CA-O 3.08Å; A147-F200 HydrophobicContact CB-CB 4Å; A147-F200 HydrophobicContact CB-CD1 4.14Å; Y148-F200 PolarHBondContact N-O 2.8Å; F200-V202 HydrophobicContact CD1-CG2 4.03Å; F200-V202 HydrophobicContact CE1-CG2 3.25Å; F200-V202 HydrophobicContact CZ-CG2 3.87Å; F200-W229 CarbonylContact C-O 3.56Å; F200-W229 WeakPolarHBondContact CA-O 3.48Å; F200-W229 HydrophobicContact CD2-CB 3.93Å; F200-W229 AromaticContact CD2-CD1 3.51Å; F200-W229 AromaticContact CD2-CG 3.84Å; F200-W229 HydrophobicContact CD2-CG 3.84Å; F200-W229 AromaticContact CE2-CD1 3.38Å; F200-W229 HydrophobicContact CE2-CG 4.11Å; F200-W229 AromaticContact CE2-NE1 3.81Å; F200-H231 HydrophobicContact CE1-CB 4.49Å; F200-H231 HydrophobicContact CE2-CB 3.76Å; F200-H231 HydrophobicContact CZ-CB 3.57Å
201M98.7Very high98.2Very high1 Ų123.3 Ų23.31%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-132.5126.7178.6178.171.4-114.200109.1Y148 M179 L184 V219 I228 W229 L230 H231Y148-M201 VanDerWaalsContact CB-SD 3.53Å; Y148-M201 CarbonylContact O-C 3.49Å; Y148-M201 WeakPolarHBondContact O-CA 3.37Å; Y148-M201 WeakPolarHBondContact O-CE 3.4Å; M179-M201 HydrophobicContact CE-CE 3.31Å; M179-M201 HydrophobicContact CE-SD 4.02Å; M179-M201 HydrophobicContact SD-CE 3.44Å; M179-M201 WeakPolarHBondContact SD-CE 3.49Å; M179-M201 HydrophobicContact SD-SD 4.04Å; L184-M201 HydrophobicContact CD1-SD 3.81Å; L184-M201 HydrophobicContact CD2-SD 4.19Å; M201-V219 HydrophobicContact CG-CG1 4.11Å; M201-I228 HydrophobicContact CB-CG2 3.89Å; M201-W229 PolarHBondContact N-O 3.04Å; M201-L230 HydrophobicContact CB-CD1 4.22Å; M201-L230 HydrophobicContact CG-CD1 3.91Å; M201-H231 PolarHBondContact O-N 3.14Å
202V98.8Very high98.2Very high0 Ų023.3 Ų23.30%016%0.16CC..EExtended strand (participates in β ladder)trans-101.3110.7168.2-174.20000110.8T114 Y148 V157 F200 H231 D233T114-V202 HydrophobicContact CG2-CG2 4.15Å; Y148-V202 PolarHBondContact O-N 2.81Å; V157-V202 HydrophobicContact CG1-CB 4.1Å; V157-V202 HydrophobicContact CG1-CG2 3.65Å; V157-V202 HydrophobicContact CG2-CB 4.24Å; V157-V202 HydrophobicContact CG2-CG1 3.89Å; V157-V202 HydrophobicContact CG2-CG2 4.21Å; F200-V202 HydrophobicContact CD1-CG2 4.03Å; F200-V202 HydrophobicContact CE1-CG2 3.25Å; F200-V202 HydrophobicContact CZ-CG2 3.87Å; V202-H231 CarbonylContact C-O 3.57Å; V202-H231 VanDerWaalsContact CA-O 3.31Å; V202-H231 WeakPolarHBondContact CA-O 3.34Å; V202-H231 HydrophobicContact CG2-CB 4.44Å; V202-D233 HydrophobicContact CG1-CB 4.09Å
203A98.6Very high98.2Very high0 Ų020.7 Ų20.70%015%0.148CC..EExtended strand (participates in β ladder)trans-95.5131.1167.300000109.6M179 D214 L216 L230 H231 V232 D233M179-A203 HydrophobicContact CE-CB 4.29Å; A203-D214 HydrophobicContact CB-CB 4.18Å; A203-L216 HydrophobicContact CB-CD2 3.33Å; A203-L230 HydrophobicContact CB-CD1 3.91Å; A203-H231 PolarHBondContact N-O 3.47Å; A203-V232 CarbonylContact O-C 3.55Å; A203-V232 WeakPolarHBondContact O-CA 3.22Å; A203-D233 PolarHBondContact O-N 2.65Å
204T98.8Very high98.2Very high4 Ų416.6 Ų16.63%0.02511%0.114CC..EExtended strand (participates in β ladder)trans-106.7127.4-174.6-53.70000110.9T207 D214 D233T204-T207 HydrophobicContact CG2-CG2 3.74Å; T204-D214 PolarHBondContact N-OD2 3.33Å; T204-D214 PolarHBondContact O-N 3.18Å; T204-D233 CarbonylContact C-O 3.51Å; T204-D233 WeakPolarHBondContact CA-O 3.45Å
205L98.8Very high98.2Very high1 Ų115 Ų151%0.00510%0.095CC..BIsolated β-bridgetrans-107.3107.2172.4-58.9-176000109.2F213 L216 V232 D233 A234 A237 F241 L250L205-F213 HydrophobicContact CB-CD1 3.86Å; L205-F213 HydrophobicContact CB-CE1 4.26Å; L205-F213 HydrophobicContact CD2-CB 4.34Å; L205-F213 HydrophobicContact CD2-CD1 4.13Å; L205-L216 HydrophobicContact CD1-CD1 3.92Å; L205-L216 HydrophobicContact CD2-CD1 4.2Å; L205-L216 HydrophobicContact CD2-CG 4.14Å; L205-L216 HydrophobicContact CG-CD1 4.38Å; L205-V232 HydrophobicContact CD1-CG1 3.7Å; L205-V232 HydrophobicContact CG-CG1 3.84Å; L205-D233 PolarHBondContact N-O 3.17Å; L205-A234 HydrophobicContact CB-CB 4.03Å; L205-A234 WeakPolarHBondContact O-CA 3.25Å; L205-A237 WeakPolarHBondContact O-CB 3.4Å; L205-F241 HydrophobicContact CB-CE2 4.43Å; L205-F241 HydrophobicContact CB-CZ 4.15Å; L205-F241 HydrophobicContact CD1-CE2 3.9Å; L205-F241 HydrophobicContact CD1-CZ 4.02Å; L205-L250 HydrophobicContact CD1-CD1 3.59Å
206G98.4Very high98.2Very high7 Ų713 Ų137%0.0728%0.075CC..SBendtrans81.667.3-172.200000111.8S212G206-S212 CarbonylContact C-O 3.58Å; G206-S212 WeakPolarHBondContact CA-O 3.31Å; G206-S212 PolarHBondContact N-O 3.22Å
207T98.4Very high98.2Very high2 Ų215.8 Ų15.81%0.0129%0.089CC..  trans-55.2152.9177.8600000112.5Q152 T204 T209 C211 S212Q152-T207 HydrophobicContact CB-CG2 3.61Å; T204-T207 HydrophobicContact CG2-CG2 3.74Å; T207-T209 PolarHBondContact O-N 2.92Å; T207-C211 WeakPolarHBondContact O-CA 3.43Å; T207-C211 PolarHBondContact O-N 3.14Å; T207-C211 PolarHBondContact OG1-N 3.03Å; T207-S212 VanDerWaalsContact CG2-OG 3.27Å; T207-S212 WeakPolarHBondContact CG2-OG 3.01Å; T207-S212 PolarHBondContact N-O 3.44Å; T207-S212 PolarHBondContact OG1-N 3.38Å; T207-S212 PolarHBondContact OG1-OG 2.87Å
208T96.4Very high98.1Very high55 Ų5516.9 Ų16.934%0.3379%0.093SC..THydrogen-bonded Turntrans-68.4-37.7-175.2-62.10000111.9H154 R409H154-T208 PolarHBondContact CD2-OG1 3.27Å; H154-T208 VanDerWaalsContact CD2-OG1 3.26Å; T208-R409 VanDerWaalsContact O-CZ 3.22Å; T208-R409 PolarHBondContact O-NE 2.87Å; T208-R409 PolarHBondContact O-NH2 3.13Å
209T95Very high98.1Very high34 Ų3416.2 Ų16.221%0.2099%0.089CC..THydrogen-bonded Turntrans-64.6-57.5-176.145.80000111.4Q152 T207 C400 R409Q152-T209 PolarHBondContact OE1-OG1 3.19Å; T207-T209 PolarHBondContact O-N 2.92Å; T209-C400 HydrophobicContact CG2-CB 4.38Å; T209-C400 PolarHBondContact O-SG 2.79Å; T209-C400 VanDerWaalsContact O-SG 3.35Å; T209-R409 WeakPolarHBondContact O-CD 3.11Å; T209-R409 PolarHBondContact O-NE 2.9Å; T209-R409 VanDerWaalsContact O-NE 3.13Å
210C97Very high98Very high2 Ų216.2 Ų16.21%0.0149%0.089CC..THydrogen-bonded Turntrans-130.54.1-170.745.50000115.9S212 V364 L402C210-S212 VanDerWaalsContact C-N 3.25Å; C210-S212 PolarHBondContact O-N 3.22Å; C210-V364 HydrophobicContact CB-CB 4.45Å; C210-V364 HydrophobicContact CB-CG1 3.82Å; C210-V364 HydrophobicContact CB-CG2 4.25Å; C210-L402 HydrophobicContact CB-CD1 4.3Å; C210-L402 HydrophobicContact CB-CD2 3.74Å
211C98.3Very high98Very high6 Ų618.8 Ų18.84%0.04111%0.106CC..  trans56.839.3-172.6-1660000112.6T207 F213 L370T207-C211 WeakPolarHBondContact O-CA 3.43Å; T207-C211 PolarHBondContact O-N 3.14Å; T207-C211 PolarHBondContact OG1-N 3.03Å; C211-F213 WeakPolarHBondContact O-CD2 3.28Å; C211-F213 WeakPolarHBondContact O-CE2 3.16Å; C211-L370 HydrophobicContact CB-CB 4.15Å; C211-L370 HydrophobicContact CB-CD2 3.83Å; C211-L370 HydrophobicContact CB-CG 4.48Å
212S98.1Very high98Very high5 Ų519.8 Ų19.84%0.03511%0.111CC..  trans-77.7166.9168.960.90000111.5N176 F177 G206 T207 C210N176-S212 WeakPolarHBondContact O-CB 3.35Å; F177-S212 VanDerWaalsContact O-CB 3.27Å; F177-S212 WeakPolarHBondContact O-CB 3.37Å; F177-S212 PolarHBondContact O-OG 2.66Å; G206-S212 CarbonylContact C-O 3.58Å; G206-S212 WeakPolarHBondContact CA-O 3.31Å; G206-S212 PolarHBondContact N-O 3.22Å; T207-S212 VanDerWaalsContact CG2-OG 3.27Å; T207-S212 WeakPolarHBondContact CG2-OG 3.01Å; T207-S212 PolarHBondContact N-O 3.44Å; T207-S212 PolarHBondContact OG1-N 3.38Å; T207-S212 PolarHBondContact OG1-OG 2.87Å; C210-S212 VanDerWaalsContact C-N 3.25Å; C210-S212 PolarHBondContact O-N 3.22Å
213F98.6Very high98Very high26 Ų2619.8 Ų19.811%0.11411%0.111CC..BIsolated β-bridgetrans-130.4119.1-174.4-63.9-97.7000110.2A178 L205 C211 A237 F241 L249 I367 L368A178-F213 WeakPolarHBondContact CB-O 3.28Å; L205-F213 HydrophobicContact CB-CD1 3.86Å; L205-F213 HydrophobicContact CB-CE1 4.26Å; L205-F213 HydrophobicContact CD2-CB 4.34Å; L205-F213 HydrophobicContact CD2-CD1 4.13Å; C211-F213 WeakPolarHBondContact O-CD2 3.28Å; C211-F213 WeakPolarHBondContact O-CE2 3.16Å; F213-A237 HydrophobicContact CE1-CB 3.73Å; F213-A237 HydrophobicContact CZ-CB 3.99Å; F213-F241 HydrophobicContact CE1-CE1 4.42Å; F213-F241 HydrophobicContact CE1-CZ 4.24Å; F213-L249 HydrophobicContact CD1-CB 3.97Å; F213-L249 HydrophobicContact CD1-CD1 4.47Å; F213-L249 HydrophobicContact CD1-CD2 4.22Å; F213-L249 HydrophobicContact CD1-CG 4.45Å; F213-L249 HydrophobicContact CD2-CD2 4.16Å; F213-L249 HydrophobicContact CE1-CB 3.96Å; F213-L249 HydrophobicContact CE1-CD1 3.84Å; F213-L249 HydrophobicContact CE1-CD2 4.39Å; F213-L249 HydrophobicContact CE1-CG 4.28Å; F213-L249 HydrophobicContact CE2-CD1 4.22Å; F213-L249 HydrophobicContact CE2-CD2 4.33Å; F213-L249 HydrophobicContact CG-CD2 4.13Å; F213-L249 HydrophobicContact CZ-CD1 3.72Å; F213-L249 HydrophobicContact CZ-CD2 4.46Å; F213-L249 HydrophobicContact CZ-CG 4.5Å; F213-I367 HydrophobicContact CD2-CD1 3.64Å; F213-I367 HydrophobicContact CE2-CB 4.03Å; F213-I367 HydrophobicContact CE2-CD1 3.61Å; F213-I367 HydrophobicContact CE2-CG1 4.41Å; F213-I367 HydrophobicContact CE2-CG2 3.78Å; F213-I367 HydrophobicContact CZ-CG2 4.27Å; F213-L368 HydrophobicContact CZ-CD1 3.77Å; F213-L368 HydrophobicContact CZ-CG 4.35Å
214D98.4Very high98Very high4 Ų423.6 Ų23.62%0.02113%0.131CC..  trans-66.8144.2171.9-67.2-29.2000110.6S150 M179 A203 T204 L216S150-D214 WeakPolarHBondContact CB-OD1 3.2Å; S150-D214 VanDerWaalsContact CB-OD2 3.29Å; S150-D214 WeakPolarHBondContact CB-OD2 3.28Å; S150-D214 PolarHBondContact OG-OD1 2.9Å; M179-D214 HydrophobicContact CB-CB 4.18Å; M179-D214 WeakPolarHBondContact CB-OD1 3.35Å; M179-D214 HydrophobicContact CE-CB 4.21Å; M179-D214 PolarHBondContact N-OD1 2.81Å; A203-D214 HydrophobicContact CB-CB 4.18Å; T204-D214 PolarHBondContact N-OD2 3.33Å; T204-D214 PolarHBondContact O-N 3.18Å; D214-L216 PolarHBondContact O-N 2.66Å; D214-L216 VanDerWaalsContact O-N 3.14Å
215N97.4Very high97.9Very high38 Ų3831.2 Ų31.220%0.20316%0.164CC..  trans-84.193.8-174.5-171.4-13.7000111.8M179 R180 L217 E218 V219M179-N215 PolarHBondContact O-N 2.89Å; R180-N215 PolarHBondContact NH2-ND2 3.17Å; N215-L217 VanDerWaalsContact C-N 3.3Å; N215-L217 PolarHBondContact O-N 3.12Å; N215-L217 PolarHBondContact OD1-N 3.19Å; N215-E218 HydrophobicContact CB-CB 4.18Å; N215-E218 VanDerWaalsContact ND2-CD 3.29Å; N215-E218 WeakPolarHBondContact ND2-CG 3.19Å; N215-E218 PolarHBondContact ND2-OE1 2.94Å; N215-E218 PolarHBondContact O-N 2.93Å; N215-E218 VanDerWaalsContact O-N 3.16Å; N215-E218 PolarHBondContact OD1-N 3.49Å; N215-V219 WeakPolarHBondContact O-CB 3.27Å; N215-V219 WeakPolarHBondContact O-CG2 3.12Å; N215-V219 PolarHBondContact O-N 3.47Å
216L98.2Very high97.9Very high3 Ų333.5 Ų33.52%0.01618%0.175CC..Hα-helixtrans-64.2-30.3179.8-60.9-177.6000113.7A203 L205 D214 E218 G220 V232 N251A203-L216 HydrophobicContact CB-CD2 3.33Å; L205-L216 HydrophobicContact CD1-CD1 3.92Å; L205-L216 HydrophobicContact CD2-CD1 4.2Å; L205-L216 HydrophobicContact CD2-CG 4.14Å; L205-L216 HydrophobicContact CG-CD1 4.38Å; D214-L216 PolarHBondContact O-N 2.66Å; D214-L216 VanDerWaalsContact O-N 3.14Å; L216-E218 PolarHBondContact O-N 3.1Å; L216-G220 WeakPolarHBondContact O-CA 3.43Å; L216-G220 PolarHBondContact O-N 3.4Å; L216-V232 HydrophobicContact CD1-CG1 4.21Å; L216-V232 HydrophobicContact CD1-CG2 3.94Å; L216-V232 HydrophobicContact CD2-CG2 3.82Å; L216-N251 WeakPolarHBondContact CB-O 3.42Å
217L98.2Very high97.8Very high89 Ų8937.3 Ų37.347%0.46619%0.193SC..Hα-helixtrans-66.7-24.9177-67.9174.4000112.2N215 P221 N251 F255N215-L217 VanDerWaalsContact C-N 3.3Å; N215-L217 PolarHBondContact O-N 3.12Å; N215-L217 PolarHBondContact OD1-N 3.19Å; L217-P221 VanDerWaalsContact O-CD 3.27Å; L217-P221 WeakPolarHBondContact O-CD 3.32Å; L217-P221 WeakPolarHBondContact O-CG 3.31Å; L217-N251 HydrophobicContact CD1-CB 4.06Å; L217-N251 HydrophobicContact CD2-CB 4.31Å; L217-N251 HydrophobicContact CG-CB 4.2Å; L217-F255 HydrophobicContact CD2-CE2 4.49Å
218E97.6Very high97.8Very high63 Ų6337.4 Ų37.429%0.29419%0.194SC..Hα-helixtrans-90.1-46.6174.9-82.3-175.4-169.600112.5R180 A181 N215 L216R180-E218 IonicContact CZ-OE1 2.97Å; R180-E218 IonicContact CZ-OE2 3.35Å; R180-E218 IonicContact NE-OE1 3.91Å; R180-E218 IonicContact NE-OE2 3.84Å; R180-E218 PolarHBondContact NE-OE2 3.01Å; R180-E218 VanDerWaalsContact NH2-CD 3.27Å; R180-E218 IonicContact NH2-OE1 3.01Å; R180-E218 PolarHBondContact NH2-OE1 3.37Å; R180-E218 IonicContact NH2-OE2 3.39Å; R180-E218 PolarHBondContact NH2-OE2 3.33Å; A181-E218 HydrophobicContact CB-CB 3.74Å; A181-E218 HydrophobicContact CB-CG 4.22Å; A181-E218 PolarHBondContact N-OE2 3.47Å; N215-E218 HydrophobicContact CB-CB 4.18Å; N215-E218 VanDerWaalsContact ND2-CD 3.29Å; N215-E218 WeakPolarHBondContact ND2-CG 3.19Å; N215-E218 PolarHBondContact ND2-OE1 2.94Å; N215-E218 PolarHBondContact O-N 2.93Å; N215-E218 VanDerWaalsContact O-N 3.16Å; N215-E218 PolarHBondContact OD1-N 3.49Å; L216-E218 PolarHBondContact O-N 3.1Å
219V97.6Very high97.9Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-77.2-38.9-173.6168.90000111.8M179 L184 M201 N215 I222 C223 L230M179-V219 HydrophobicContact CE-CG1 4.05Å; M179-V219 HydrophobicContact CE-CG2 3.83Å; L184-V219 HydrophobicContact CD2-CB 4.4Å; L184-V219 HydrophobicContact CD2-CG1 3.73Å; L184-V219 HydrophobicContact CD2-CG2 4.34Å; M201-V219 HydrophobicContact CG-CG1 4.11Å; N215-V219 WeakPolarHBondContact O-CB 3.27Å; N215-V219 WeakPolarHBondContact O-CG2 3.12Å; N215-V219 PolarHBondContact O-N 3.47Å; V219-I222 WeakPolarHBondContact O-CB 3.36Å; V219-I222 PolarHBondContact O-N 2.8Å; V219-I222 VanDerWaalsContact O-N 3.16Å; V219-C223 PolarHBondContact O-N 2.96Å; V219-C223 PolarHBondContact O-SG 3.04Å; V219-L230 HydrophobicContact CG1-CD1 4.36Å
220G98.3Very high98.1Very high0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-56.4-50.6-17700000114.6L216 I222 C223 N224 F255L216-G220 WeakPolarHBondContact O-CA 3.43Å; L216-G220 PolarHBondContact O-N 3.4Å; G220-I222 VanDerWaalsContact C-N 3.27Å; G220-I222 PolarHBondContact O-N 3.36Å; G220-C223 PolarHBondContact O-N 2.91Å; G220-N224 PolarHBondContact O-N 3.31Å; G220-F255 VanDerWaalsContact CA-CB 3.44Å
221P98.6Very high98.2Very high55 Ų5533.4 Ų33.436%0.35717%0.169SC..Hα-helixtrans-58.2-36.4175.8-27.335.6000113.7L217 K225 F255L217-P221 VanDerWaalsContact O-CD 3.27Å; L217-P221 WeakPolarHBondContact O-CD 3.32Å; L217-P221 WeakPolarHBondContact O-CG 3.31Å; P221-K225 VanDerWaalsContact O-CB 3.27Å; P221-K225 WeakPolarHBondContact O-CB 3.33Å; P221-K225 PolarHBondContact O-N 2.75Å; P221-F255 HydrophobicContact CG-CE1 3.98Å; P221-F255 HydrophobicContact CG-CE2 4Å; P221-F255 HydrophobicContact CG-CZ 3.72Å
222I98.4Very high98.2Very high21 Ų2133.1 Ų33.111%0.10817%0.167CC..Hα-helixtrans-65.8-50.6176.5-62.1172.6000109.6A181 L184 L188 V219 G220 N224 K225 E226A181-I222 HydrophobicContact CB-CD1 3.54Å; L184-I222 HydrophobicContact CD2-CB 4.41Å; L184-I222 HydrophobicContact CD2-CG2 4.14Å; L184-I222 HydrophobicContact CG-CG2 4.44Å; L188-I222 HydrophobicContact CD1-CG2 3.55Å; V219-I222 WeakPolarHBondContact O-CB 3.36Å; V219-I222 PolarHBondContact O-N 2.8Å; V219-I222 VanDerWaalsContact O-N 3.16Å; G220-I222 VanDerWaalsContact C-N 3.27Å; G220-I222 PolarHBondContact O-N 3.36Å; I222-N224 VanDerWaalsContact C-N 3.33Å; I222-N224 PolarHBondContact O-N 3.43Å; I222-K225 PolarHBondContact O-N 3.01Å; I222-E226 HydrophobicContact CG2-CG 4.19Å; I222-E226 WeakPolarHBondContact O-CB 3.39Å; I222-E226 VanDerWaalsContact O-CG 3.23Å; I222-E226 WeakPolarHBondContact O-CG 3.38Å; I222-E226 PolarHBondContact O-N 3.08Å
223C98.6Very high98.3Very high0 Ų033.1 Ų33.10%017%0.166CC..Hα-helixtrans-56.8-46.2179-67.80000112.2V219 G220 E226 D227 I228 L230V219-C223 PolarHBondContact O-N 2.96Å; V219-C223 PolarHBondContact O-SG 3.04Å; G220-C223 PolarHBondContact O-N 2.91Å; C223-E226 CarbonylContact O-C 3.59Å; C223-E226 PolarHBondContact O-N 2.78Å; C223-D227 PolarHBondContact O-N 3.4Å; C223-I228 HydrophobicContact CB-CB 4.32Å; C223-I228 PolarHBondContact O-N 2.85Å; C223-L230 HydrophobicContact CB-CB 4.03Å
224N97.9Very high98.3Very high80 Ų8031.9 Ų31.943%0.42816%0.161SC..Hα-helixtrans-63.3-44.7177.4-85.112.4000112.8G220 I222 E226 D227 F255G220-N224 PolarHBondContact O-N 3.31Å; I222-N224 VanDerWaalsContact C-N 3.33Å; I222-N224 PolarHBondContact O-N 3.43Å; N224-E226 PolarHBondContact O-N 3.04Å; N224-D227 PolarHBondContact O-N 3.04Å; N224-F255 WeakPolarHBondContact ND2-CD1 3.43Å; N224-F255 PolarHBondContact OD1-O 3.39Å
225K98.1Very high98.3Very high164 Ų16432.1 Ų32.171%0.71316%0.163SC*.Hα-helixtrans-61.7-36.5178.8179.6-176.1173.7-169.50111.6P221 I222P221-K225 VanDerWaalsContact O-CB 3.27Å; P221-K225 WeakPolarHBondContact O-CB 3.33Å; P221-K225 PolarHBondContact O-N 2.75Å; I222-K225 PolarHBondContact O-N 3.01Å
226E97.8Very high98.4Very high50 Ų5032.4 Ų32.423%0.23416%0.162CC..THydrogen-bonded Turntrans-93.83.8-174.9-58.4-68.5-156.700113.7L188 K192 I222 C223 N224 I228L188-E226 HydrophobicContact CD1-CG 4.21Å; K192-E226 IonicContact NZ-OE1 3.79Å; K192-E226 PolarHBondContact NZ-OE1 2.94Å; K192-E226 IonicContact NZ-OE2 2.73Å; K192-E226 PolarHBondContact NZ-OE2 2.72Å; I222-E226 HydrophobicContact CG2-CG 4.19Å; I222-E226 WeakPolarHBondContact O-CB 3.39Å; I222-E226 VanDerWaalsContact O-CG 3.23Å; I222-E226 WeakPolarHBondContact O-CG 3.38Å; I222-E226 PolarHBondContact O-N 3.08Å; C223-E226 CarbonylContact O-C 3.59Å; C223-E226 PolarHBondContact O-N 2.78Å; N224-E226 PolarHBondContact O-N 3.04Å; E226-I228 HydrophobicContact CB-CD1 3.72Å; E226-I228 HydrophobicContact CB-CG1 3.87Å; E226-I228 PolarHBondContact O-N 3.15Å
227D97.1Very high98.4Very high86 Ų8632.2 Ų32.246%0.4616%0.161SC..THydrogen-bonded Turntrans51.542.6-177.3-159.613000112.5R128 C223 N224R128-D227 IonicContact CZ-OD2 3.48Å; R128-D227 IonicContact NH1-OD1 3.99Å; R128-D227 IonicContact NH1-OD2 3.57Å; R128-D227 PolarHBondContact NH1-OD2 3Å; C223-D227 PolarHBondContact O-N 3.4Å; N224-D227 PolarHBondContact O-N 3.04Å
228I98.6Very high98.4Very high4 Ų428 Ų282%0.02114%0.139CC..  trans-99.1128.7175.9-62.6173.1000107.8L188 P198 M201 C223 E226 L230L188-I228 HydrophobicContact CD1-CD1 3.82Å; L188-I228 HydrophobicContact CD2-CD1 3.54Å; L188-I228 HydrophobicContact CG-CD1 4.36Å; P198-I228 HydrophobicContact CB-CD1 3.55Å; P198-I228 HydrophobicContact CB-CG1 3.9Å; M201-I228 HydrophobicContact CB-CG2 3.89Å; C223-I228 HydrophobicContact CB-CB 4.32Å; C223-I228 PolarHBondContact O-N 2.85Å; E226-I228 HydrophobicContact CB-CD1 3.72Å; E226-I228 HydrophobicContact CB-CG1 3.87Å; E226-I228 PolarHBondContact O-N 3.15Å; I228-L230 PolarHBondContact O-N 3.12Å
229W98.9Very high98.4Very high8 Ų825 Ų253%0.0313%0.125CC..EExtended strand (participates in β ladder)trans-63.6122.7175.5-177.3-67.9000111.1A120 A121 K124 F199 F200 M201 D257 S258 D283A120-W229 HydrophobicContact CB-CH2 4.13Å; A120-W229 HydrophobicContact CB-CZ3 4.48Å; A121-W229 HydrophobicContact CB-CB 3.51Å; A121-W229 HydrophobicContact CB-CD2 3.67Å; A121-W229 HydrophobicContact CB-CE3 3.79Å; A121-W229 HydrophobicContact CB-CG 3.57Å; K124-W229 HydrophobicContact CD-CE3 4.15Å; K124-W229 HydrophobicContact CD-CZ3 4.08Å; F199-W229 WeakPolarHBondContact O-CB 3.23Å; F199-W229 PolarHBondContact O-N 3.39Å; F200-W229 CarbonylContact C-O 3.56Å; F200-W229 WeakPolarHBondContact CA-O 3.48Å; F200-W229 HydrophobicContact CD2-CB 3.93Å; F200-W229 AromaticContact CD2-CD1 3.51Å; F200-W229 AromaticContact CD2-CG 3.84Å; F200-W229 HydrophobicContact CD2-CG 3.84Å; F200-W229 AromaticContact CE2-CD1 3.38Å; F200-W229 HydrophobicContact CE2-CG 4.11Å; F200-W229 AromaticContact CE2-NE1 3.81Å; M201-W229 PolarHBondContact N-O 3.04Å; W229-D257 VanDerWaalsContact CA-OD2 3.29Å; W229-D257 WeakPolarHBondContact CA-OD2 3.38Å; W229-D257 HydrophobicContact CD2-CB 3.57Å; W229-D257 VanDerWaalsContact CE2-CB 3.46Å; W229-D257 HydrophobicContact CE3-CB 4.08Å; W229-D257 HydrophobicContact CG-CB 3.89Å; W229-D257 HydrophobicContact CH2-CB 4.36Å; W229-D257 HydrophobicContact CZ2-CB 3.9Å; W229-D257 HydrophobicContact CZ3-CB 4.44Å; W229-S258 PolarHBondContact NE1-OG 2.89Å; W229-D283 HydrophobicContact CH2-CB 3.68Å; W229-D283 HydrophobicContact CZ3-CB 3.58Å; W229-D283 WeakPolarHBondContact CZ3-OD2 3.3Å
230L98.9Very high98.5Very high0 Ų025 Ų250%013%0.125CC..EExtended strand (participates in β ladder)trans-98.6112.7174.417960.9000111.1M201 A203 V219 C223 I228 V232 F255 A256 D257 S258M201-L230 HydrophobicContact CB-CD1 4.22Å; M201-L230 HydrophobicContact CG-CD1 3.91Å; A203-L230 HydrophobicContact CB-CD1 3.91Å; V219-L230 HydrophobicContact CG1-CD1 4.36Å; C223-L230 HydrophobicContact CB-CB 4.03Å; I228-L230 PolarHBondContact O-N 3.12Å; L230-V232 HydrophobicContact CG-CG2 4.41Å; L230-F255 HydrophobicContact CD2-CB 4.1Å; L230-A256 HydrophobicContact CD2-CB 4.44Å; L230-A256 HydrophobicContact CG-CB 4.35Å; L230-D257 PolarHBondContact N-OD2 3.07Å; L230-D257 PolarHBondContact O-N 3.28Å; L230-S258 PolarHBondContact O-N 3.06Å
231H98.9Very high98.5Very high0 Ų025 Ų250%013%0.125CC..EExtended strand (participates in β ladder)trans-100.6125.3170.2179.865000110.1T114 A117 F200 M201 V202 A203 S258 N260T114-H231 WeakPolarHBondContact CA-NE2 3.42Å; T114-H231 PolarHBondContact OG1-NE2 2.98Å; A117-H231 HydrophobicContact CB-CB 4.32Å; F200-H231 HydrophobicContact CE1-CB 4.49Å; F200-H231 HydrophobicContact CE2-CB 3.76Å; F200-H231 HydrophobicContact CZ-CB 3.57Å; M201-H231 PolarHBondContact O-N 3.14Å; V202-H231 CarbonylContact C-O 3.57Å; V202-H231 VanDerWaalsContact CA-O 3.31Å; V202-H231 WeakPolarHBondContact CA-O 3.34Å; V202-H231 HydrophobicContact CG2-CB 4.44Å; A203-H231 PolarHBondContact N-O 3.47Å; H231-S258 WeakPolarHBondContact CA-O 3.2Å; H231-S258 WeakPolarHBondContact CA-OG 3.5Å; H231-S258 WeakPolarHBondContact CB-OG 3.36Å; H231-S258 PolarHBondContact ND1-OG 3.21Å; H231-N260 PolarHBondContact CE1-OD1 2.89Å; H231-N260 PolarHBondContact NE2-OD1 2.84Å
232V98.9Very high98.5Very high0 Ų022.4 Ų22.40%011%0.108CC..EExtended strand (participates in β ladder)trans-100.8111.4175.5178.80000109.6A203 L205 L216 L230 A256 S258 F259 N260A203-V232 CarbonylContact O-C 3.55Å; A203-V232 WeakPolarHBondContact O-CA 3.22Å; L205-V232 HydrophobicContact CD1-CG1 3.7Å; L205-V232 HydrophobicContact CG-CG1 3.84Å; L216-V232 HydrophobicContact CD1-CG1 4.21Å; L216-V232 HydrophobicContact CD1-CG2 3.94Å; L216-V232 HydrophobicContact CD2-CG2 3.82Å; L230-V232 HydrophobicContact CG-CG2 4.41Å; V232-A256 HydrophobicContact CB-CB 4.49Å; V232-A256 HydrophobicContact CG2-CB 3.59Å; V232-S258 PolarHBondContact N-O 3.48Å; V232-F259 HydrophobicContact CB-CD2 3.89Å; V232-F259 HydrophobicContact CG1-CD2 3.66Å; V232-F259 HydrophobicContact CG1-CE2 4.09Å; V232-F259 WeakPolarHBondContact O-CA 3.48Å; V232-N260 PolarHBondContact O-N 2.83Å; V232-N260 PolarHBondContact O-OD1 2.81Å
233D98.9Very high98.5Very high5 Ų521.4 Ų21.43%0.02710%0.103CC..EExtended strand (participates in β ladder)trans-92.6107.1172-176.810.6000110.1V202 A203 T204 L205 A235 N260V202-D233 HydrophobicContact CG1-CB 4.09Å; A203-D233 PolarHBondContact O-N 2.65Å; T204-D233 CarbonylContact C-O 3.51Å; T204-D233 WeakPolarHBondContact CA-O 3.45Å; L205-D233 PolarHBondContact N-O 3.17Å; D233-A235 VanDerWaalsContact OD1-CB 3.26Å; D233-A235 WeakPolarHBondContact OD1-CB 3.44Å; D233-A235 PolarHBondContact OD1-N 2.79Å; D233-N260 WeakPolarHBondContact CA-OD1 3.4Å; D233-N260 PolarHBondContact OD1-ND2 3.02Å; D233-N260 VanDerWaalsContact OD1-ND2 3.13Å
234A98.7Very high98.5Very high0 Ų024.9 Ų24.90%013%0.125CC..  trans-113.329.6174.800000111.7L205 Y236 A237 G238 F241 F259 N260 F261L205-A234 HydrophobicContact CB-CB 4.03Å; L205-A234 WeakPolarHBondContact O-CA 3.25Å; A234-Y236 CarbonylContact O-C 3.56Å; A234-Y236 PolarHBondContact O-N 3.01Å; A234-A237 PolarHBondContact O-N 3.39Å; A234-G238 WeakPolarHBondContact O-CA 3.49Å; A234-G238 PolarHBondContact O-N 3.45Å; A234-F241 HydrophobicContact CB-CE2 4.04Å; A234-F259 HydrophobicContact CB-CD2 4.49Å; A234-F259 HydrophobicContact CB-CE2 3.54Å; A234-F259 HydrophobicContact CB-CZ 3.91Å; A234-N260 CarbonylContact C-O 3.51Å; A234-N260 WeakPolarHBondContact CA-O 3.43Å; A234-N260 WeakPolarHBondContact CB-O 3.42Å; A234-N260 PolarHBondContact N-O 2.96Å; A234-F261 HydrophobicContact CB-CB 4.2Å; A234-F261 WeakPolarHBondContact O-CB 3.22Å
235A98.8Very high98.5Very high8 Ų824.8 Ų24.87%0.06612%0.122CC..THydrogen-bonded Turntrans-37.1-48.8-170.100000114.8A110 D233 N262 K265A110-A235 HydrophobicContact CB-CB 3.88Å; D233-A235 VanDerWaalsContact OD1-CB 3.26Å; D233-A235 WeakPolarHBondContact OD1-CB 3.44Å; D233-A235 PolarHBondContact OD1-N 2.79Å; A235-N262 VanDerWaalsContact O-CB 3.31Å; A235-N262 WeakPolarHBondContact O-CB 3.17Å; A235-N262 PolarHBondContact O-N 3.37Å; A235-K265 HydrophobicContact CB-CD 4.32Å; A235-K265 WeakPolarHBondContact O-CD 3.4Å
236Y98.8Very high98.5Very high44 Ų4418.3 Ų18.317%0.1739%0.094CC..THydrogen-bonded Turntrans-90.6-57.6176.7170.4-113.9000113A234 G238 W266 L368 G369A234-Y236 CarbonylContact O-C 3.56Å; A234-Y236 PolarHBondContact O-N 3.01Å; Y236-G238 VanDerWaalsContact C-N 3.26Å; Y236-G238 PolarHBondContact O-N 3.45Å; Y236-W266 HydrophobicContact CD2-CB 4.2Å; Y236-W266 HydrophobicContact CD2-CD2 4.37Å; Y236-W266 HydrophobicContact CD2-CE3 4.09Å; Y236-W266 HydrophobicContact CD2-CG 4.47Å; Y236-W266 HydrophobicContact CE1-CE3 4.24Å; Y236-W266 HydrophobicContact CE1-CZ3 4.12Å; Y236-W266 HydrophobicContact CE2-CB 4.06Å; Y236-W266 AromaticContact CE2-CD2 3.53Å; Y236-W266 HydrophobicContact CE2-CD2 3.53Å; Y236-W266 AromaticContact CE2-CE3 3.41Å; Y236-W266 HydrophobicContact CE2-CE3 3.41Å; Y236-W266 VanDerWaalsContact CE2-CE3 3.41Å; Y236-W266 AromaticContact CE2-CG 3.84Å; Y236-W266 HydrophobicContact CE2-CG 3.84Å; Y236-W266 HydrophobicContact CE2-CZ3 4.02Å; Y236-W266 AromaticContact CZ-CD2 3.91Å; Y236-W266 AromaticContact CZ-CE3 3.5Å; Y236-W266 AromaticContact CZ-CZ3 3.59Å; Y236-W266 WeakPolarHBondContact OH-CH2 3.37Å; Y236-W266 WeakPolarHBondContact OH-CZ3 3.4Å; Y236-L368 HydrophobicContact CE1-CB 4.42Å; Y236-G369 WeakPolarHBondContact OH-CA 3.2Å; Y236-G369 PolarHBondContact OH-N 3.33Å
237A98.7Very high98.5Very high0 Ų017.5 Ų17.50%09%0.089CC..G310 helixtrans-71-18.6-169.500000114L205 F213 A234 S239 A240 F241 L368L205-A237 WeakPolarHBondContact O-CB 3.4Å; F213-A237 HydrophobicContact CE1-CB 3.73Å; F213-A237 HydrophobicContact CZ-CB 3.99Å; A234-A237 PolarHBondContact O-N 3.39Å; A237-S239 PolarHBondContact O-N 3.26Å; A237-S239 VanDerWaalsContact O-N 3.13Å; A237-A240 VanDerWaalsContact O-CB 3.28Å; A237-A240 WeakPolarHBondContact O-CB 3.27Å; A237-A240 PolarHBondContact O-N 3.17Å; A237-F241 HydrophobicContact CB-CE1 4.46Å; A237-F241 HydrophobicContact CB-CZ 4.08Å; A237-L368 HydrophobicContact CB-CD1 3.59Å
238G98.6Very high98.6Very high0 Ų018.6 Ų18.60%09%0.091CC..G310 helixtrans-56.2-31.7179.600000113.7L88 A234 Y236 A240 F241L88-G238 WeakPolarHBondContact CD2-O 3.43Å; A234-G238 WeakPolarHBondContact O-CA 3.49Å; A234-G238 PolarHBondContact O-N 3.45Å; Y236-G238 VanDerWaalsContact C-N 3.26Å; Y236-G238 PolarHBondContact O-N 3.45Å; G238-A240 PolarHBondContact O-N 3.05Å; G238-F241 PolarHBondContact O-N 2.93Å
239S98.6Very high98.5Very high0 Ų019.8 Ų19.80%010%0.097CC..G310 helixtrans-62.8-29.5174.3-610000112.9A237 F241 I242 F261 W266A237-S239 PolarHBondContact O-N 3.26Å; A237-S239 VanDerWaalsContact O-N 3.13Å; S239-F241 VanDerWaalsContact C-N 3.31Å; S239-F241 PolarHBondContact O-N 3.46Å; S239-I242 WeakPolarHBondContact O-CG1 3.43Å; S239-F261 VanDerWaalsContact N-CD2 3.31Å; S239-F261 WeakPolarHBondContact OG-CE2 3.4Å; S239-W266 WeakPolarHBondContact CB-O 3.45Å
240A98.7Very high98.5Very high0 Ų019.7 Ų19.70%010%0.097CC..G310 helixtrans-73-23.9-17900000112.7A237 G238 I242 C243 F246 W266 I340 L368A237-A240 VanDerWaalsContact O-CB 3.28Å; A237-A240 WeakPolarHBondContact O-CB 3.27Å; A237-A240 PolarHBondContact O-N 3.17Å; G238-A240 PolarHBondContact O-N 3.05Å; A240-I242 PolarHBondContact O-N 2.91Å; A240-I242 VanDerWaalsContact O-N 3.12Å; A240-C243 VanDerWaalsContact O-CB 3.3Å; A240-C243 WeakPolarHBondContact O-CB 3.24Å; A240-C243 PolarHBondContact O-N 3.37Å; A240-F246 HydrophobicContact CB-CB 4.19Å; A240-F246 HydrophobicContact CB-CD2 3.99Å; A240-F246 HydrophobicContact CB-CG 4.31Å; A240-W266 HydrophobicContact CB-CZ3 4.06Å; A240-I340 HydrophobicContact CB-CG2 4.11Å; A240-L368 HydrophobicContact CB-CD1 4Å; A240-L368 HydrophobicContact CB-CD2 3.81Å
241F98.7Very high98.5Very high0 Ų023.8 Ų23.80%012%0.119CC..G310 helixtrans-74.4-1.9-176.3-48.9-32.2000113.9L88 L205 F213 A234 A237 G238 S239 R247 L249 L250 F259L88-F241 HydrophobicContact CD2-CB 3.82Å; L205-F241 HydrophobicContact CB-CE2 4.43Å; L205-F241 HydrophobicContact CB-CZ 4.15Å; L205-F241 HydrophobicContact CD1-CE2 3.9Å; L205-F241 HydrophobicContact CD1-CZ 4.02Å; F213-F241 HydrophobicContact CE1-CE1 4.42Å; F213-F241 HydrophobicContact CE1-CZ 4.24Å; A234-F241 HydrophobicContact CB-CE2 4.04Å; A237-F241 HydrophobicContact CB-CE1 4.46Å; A237-F241 HydrophobicContact CB-CZ 4.08Å; G238-F241 PolarHBondContact O-N 2.93Å; S239-F241 VanDerWaalsContact C-N 3.31Å; S239-F241 PolarHBondContact O-N 3.46Å; F241-R247 PolarHBondContact O-NE 3.31Å; F241-R247 PolarHBondContact O-NH2 2.93Å; F241-L249 HydrophobicContact CE1-CB 3.7Å; F241-L249 HydrophobicContact CE1-CD1 4.32Å; F241-L249 HydrophobicContact CZ-CB 4.25Å; F241-L250 HydrophobicContact CB-CD2 4.14Å; F241-L250 HydrophobicContact CD1-CB 4.46Å; F241-L250 HydrophobicContact CD2-CB 3.94Å; F241-L250 HydrophobicContact CD2-CD1 3.9Å; F241-L250 HydrophobicContact CD2-CD2 3.77Å; F241-L250 HydrophobicContact CD2-CG 4.08Å; F241-L250 HydrophobicContact CE2-CB 4.1Å; F241-L250 HydrophobicContact CE2-CD1 3.83Å; F241-L250 HydrophobicContact CE2-CG 4.36Å; F241-L250 HydrophobicContact CG-CB 4.13Å; F241-L250 HydrophobicContact CG-CD2 4.17Å; F241-L250 HydrophobicContact CZ-CB 4.45Å; F241-F259 HydrophobicContact CD2-CZ 4.45Å
242I97.9Very high98.5Very high1 Ų123.8 Ų23.81%0.00512%0.119CC..G310 helixtrans-70.6-20.5164.477.1175.2000111.5M87 L88 S239 A240 L267 L336 Q337M87-I242 HydrophobicContact CB-CG2 4.14Å; M87-I242 HydrophobicContact CE-CB 4.35Å; M87-I242 HydrophobicContact CE-CD1 4.28Å; M87-I242 HydrophobicContact CE-CG2 4.01Å; M87-I242 WeakPolarHBondContact O-CA 3.47Å; L88-I242 HydrophobicContact CD2-CG2 3.86Å; S239-I242 WeakPolarHBondContact O-CG1 3.43Å; A240-I242 PolarHBondContact O-N 2.91Å; A240-I242 VanDerWaalsContact O-N 3.12Å; I242-L267 HydrophobicContact CD1-CD1 3.76Å; I242-L336 HydrophobicContact CD1-CB 3.62Å; I242-Q337 HydrophobicContact CD1-CG 4.13Å; I242-Q337 HydrophobicContact CG1-CG 3.92Å; I242-Q337 PolarHBondContact O-NE2 3.42Å
243C98.5Very high98.4Very high0 Ų024.2 Ų24.20%012%0.122CC..SBendtrans-91.5120.8174.6-58.30000108.9A240 E245 F246 R247A240-C243 VanDerWaalsContact O-CB 3.3Å; A240-C243 WeakPolarHBondContact O-CB 3.24Å; A240-C243 PolarHBondContact O-N 3.37Å; C243-E245 HydrophobicContact CB-CG 4.49Å; C243-E245 PolarHBondContact O-N 3.03Å; C243-E245 VanDerWaalsContact O-N 3.16Å; C243-F246 HydrophobicContact CB-CD2 3.66Å; C243-F246 HydrophobicContact CB-CE2 4.15Å; C243-F246 PolarHBondContact O-N 3.49Å; C243-F246 VanDerWaalsContact O-N 3.1Å; C243-R247 PolarHBondContact O-N 2.93Å
244P98Very high98.4Very high72 Ų7228.3 Ų28.347%0.46814%0.141SC..G310 helixtrans-54.6-36.2-176.5-28.736.1000114.4F246 R247P244-F246 VanDerWaalsContact C-N 3.26Å; P244-F246 PolarHBondContact O-N 2.65Å; P244-R247 WeakPolarHBondContact O-CB 3.41Å; P244-R247 PolarHBondContact O-N 3.27Å; P244-R247 VanDerWaalsContact O-N 3.16Å
245E98.6Very high98.4Very high79 Ų7930.4 Ų30.437%0.36915%0.15SC..G310 helixtrans-65.4-23.5-178.764.7-87.9-154.500114.2C243 H248 R341C243-E245 HydrophobicContact CB-CG 4.49Å; C243-E245 PolarHBondContact O-N 3.03Å; C243-E245 VanDerWaalsContact O-N 3.16Å; E245-H248 PolarHBondContact O-CE1 3.5Å; E245-H248 PolarHBondContact O-ND1 3.39Å; E245-R341 WeakPolarHBondContact OE1-CG 3.31Å; E245-R341 IonicContact OE1-CZ 2.88Å; E245-R341 IonicContact OE1-NE 2.59Å; E245-R341 PolarHBondContact OE1-NE 3.43Å; E245-R341 IonicContact OE1-NH2 3.48Å; E245-R341 PolarHBondContact OE1-NH2 3.11Å; E245-R341 VanDerWaalsContact OE1-NH2 3.13Å; E245-R341 IonicContact OE2-CZ 2.78Å; E245-R341 IonicContact OE2-NE 2.57Å; E245-R341 IonicContact OE2-NH2 2.83Å; E245-R341 PolarHBondContact OE2-NH2 2.79Å
246F98.6Very high98.4Very high28 Ų2830 Ų3012%0.12315%0.147CC..G310 helixtrans-97.4-7.7176.4-57.6-52.1000113A240 C243 P244 H248 L249 I340 V344 L368A240-F246 HydrophobicContact CB-CB 4.19Å; A240-F246 HydrophobicContact CB-CD2 3.99Å; A240-F246 HydrophobicContact CB-CG 4.31Å; C243-F246 HydrophobicContact CB-CD2 3.66Å; C243-F246 HydrophobicContact CB-CE2 4.15Å; C243-F246 PolarHBondContact O-N 3.49Å; C243-F246 VanDerWaalsContact O-N 3.1Å; P244-F246 VanDerWaalsContact C-N 3.26Å; P244-F246 PolarHBondContact O-N 2.65Å; F246-H248 PolarHBondContact O-N 3.27Å; F246-L249 HydrophobicContact CB-CD1 4.44Å; F246-L249 WeakPolarHBondContact O-CB 3.44Å; F246-L249 WeakPolarHBondContact O-CG 3.13Å; F246-L249 PolarHBondContact O-N 3.2Å; F246-L249 VanDerWaalsContact O-N 3.16Å; F246-I340 HydrophobicContact CD2-CG2 4.29Å; F246-I340 HydrophobicContact CE2-CG2 4.03Å; F246-V344 HydrophobicContact CE1-CG1 4.26Å; F246-V344 HydrophobicContact CE2-CG2 4.12Å; F246-V344 HydrophobicContact CZ-CB 4.12Å; F246-V344 HydrophobicContact CZ-CG1 3.87Å; F246-V344 HydrophobicContact CZ-CG2 3.87Å; F246-L368 HydrophobicContact CD1-CD2 3.84Å; F246-L368 HydrophobicContact CD2-CD2 4.26Å; F246-L368 HydrophobicContact CE1-CD2 4.06Å; F246-L368 HydrophobicContact CE2-CD2 4.5Å; F246-L368 HydrophobicContact CG-CD2 3.97Å; F246-L368 HydrophobicContact CZ-CD2 4.41Å
247R97.7Very high98.4Very high32 Ų3229 Ų2912%0.12114%0.144CC..G310 helixtrans-69.3-20.4-172-163.2173.7-70.1138.5-12.5113.5M87 L88 E89 F241 C243 P244 L249 L250M87-R247 PolarHBondContact O-NH2 3.4Å; L88-R247 WeakPolarHBondContact O-CD 3.25Å; L88-R247 PolarHBondContact O-NE 2.76Å; L88-R247 VanDerWaalsContact O-NE 3.11Å; E89-R247 IonicContact OE1-CZ 3.41Å; E89-R247 IonicContact OE1-NH1 3.44Å; E89-R247 PolarHBondContact OE1-NH1 3.11Å; E89-R247 IonicContact OE1-NH2 3.39Å; E89-R247 IonicContact OE2-CZ 2.9Å; E89-R247 IonicContact OE2-NH1 2.83Å; E89-R247 PolarHBondContact OE2-NH1 3.41Å; F241-R247 PolarHBondContact O-NE 3.31Å; F241-R247 PolarHBondContact O-NH2 2.93Å; C243-R247 PolarHBondContact O-N 2.93Å; P244-R247 WeakPolarHBondContact O-CB 3.41Å; P244-R247 PolarHBondContact O-N 3.27Å; P244-R247 VanDerWaalsContact O-N 3.16Å; R247-L249 PolarHBondContact O-N 3.17Å; R247-L249 VanDerWaalsContact O-N 3.14Å; R247-L250 WeakPolarHBondContact O-CB 3.24Å; R247-L250 PolarHBondContact O-N 3.25Å
248H98.2Very high98.4Very high110 Ų11029 Ų2951%0.50914%0.144SC..G310 helixtrans-58.4-25.5173.369.1-87.5000113.1E245 F246 L250 N251E245-H248 PolarHBondContact O-CE1 3.5Å; E245-H248 PolarHBondContact O-ND1 3.39Å; F246-H248 PolarHBondContact O-N 3.27Å; H248-L250 PolarHBondContact O-N 3.34Å; H248-N251 WeakPolarHBondContact O-CB 3.45Å; H248-N251 PolarHBondContact O-N 2.89Å; H248-N251 PolarHBondContact O-ND2 3.34Å
249L98.3Very high98.4Very high29 Ų2929 Ų2915%0.15214%0.144CC..G310 helixtrans-70.2-13.2174.6-60.6167.9000113.1F213 F241 F246 R247 I367F213-L249 HydrophobicContact CD1-CB 3.97Å; F213-L249 HydrophobicContact CD1-CD1 4.47Å; F213-L249 HydrophobicContact CD1-CD2 4.22Å; F213-L249 HydrophobicContact CD1-CG 4.45Å; F213-L249 HydrophobicContact CD2-CD2 4.16Å; F213-L249 HydrophobicContact CE1-CB 3.96Å; F213-L249 HydrophobicContact CE1-CD1 3.84Å; F213-L249 HydrophobicContact CE1-CD2 4.39Å; F213-L249 HydrophobicContact CE1-CG 4.28Å; F213-L249 HydrophobicContact CE2-CD1 4.22Å; F213-L249 HydrophobicContact CE2-CD2 4.33Å; F213-L249 HydrophobicContact CG-CD2 4.13Å; F213-L249 HydrophobicContact CZ-CD1 3.72Å; F213-L249 HydrophobicContact CZ-CD2 4.46Å; F213-L249 HydrophobicContact CZ-CG 4.5Å; F241-L249 HydrophobicContact CE1-CB 3.7Å; F241-L249 HydrophobicContact CE1-CD1 4.32Å; F241-L249 HydrophobicContact CZ-CB 4.25Å; F246-L249 HydrophobicContact CB-CD1 4.44Å; F246-L249 WeakPolarHBondContact O-CB 3.44Å; F246-L249 WeakPolarHBondContact O-CG 3.13Å; F246-L249 PolarHBondContact O-N 3.2Å; F246-L249 VanDerWaalsContact O-N 3.16Å; R247-L249 PolarHBondContact O-N 3.17Å; R247-L249 VanDerWaalsContact O-N 3.14Å; L249-I367 HydrophobicContact CD1-CG2 3.76Å; L249-I367 HydrophobicContact CD2-CG2 4.31Å
250L98.4Very high98.4Very high5 Ų529 Ų293%0.02614%0.144CC..G310 helixtrans-99.6-4.3177-172.460.9000112.5L90 L205 F241 R247 H248 G252 V253 F259L90-L250 HydrophobicContact CD2-CD2 4.1Å; L205-L250 HydrophobicContact CD1-CD1 3.59Å; F241-L250 HydrophobicContact CB-CD2 4.14Å; F241-L250 HydrophobicContact CD1-CB 4.46Å; F241-L250 HydrophobicContact CD2-CB 3.94Å; F241-L250 HydrophobicContact CD2-CD1 3.9Å; F241-L250 HydrophobicContact CD2-CD2 3.77Å; F241-L250 HydrophobicContact CD2-CG 4.08Å; F241-L250 HydrophobicContact CE2-CB 4.1Å; F241-L250 HydrophobicContact CE2-CD1 3.83Å; F241-L250 HydrophobicContact CE2-CG 4.36Å; F241-L250 HydrophobicContact CG-CB 4.13Å; F241-L250 HydrophobicContact CG-CD2 4.17Å; F241-L250 HydrophobicContact CZ-CB 4.45Å; R247-L250 WeakPolarHBondContact O-CB 3.24Å; R247-L250 PolarHBondContact O-N 3.25Å; H248-L250 PolarHBondContact O-N 3.34Å; L250-G252 PolarHBondContact O-N 3.15Å; L250-V253 HydrophobicContact CD1-CB 3.74Å; L250-V253 HydrophobicContact CD1-CG1 4.27Å; L250-V253 HydrophobicContact CD1-CG2 3.86Å; L250-V253 HydrophobicContact CD2-CG1 4.34Å; L250-V253 HydrophobicContact CG-CB 3.87Å; L250-V253 HydrophobicContact CG-CG1 3.86Å; L250-V253 HydrophobicContact CG-CG2 4.35Å; L250-V253 WeakPolarHBondContact O-CB 3.47Å; L250-V253 PolarHBondContact O-N 3.27Å; L250-F259 HydrophobicContact CD1-CD2 4.15Å; L250-F259 HydrophobicContact CD1-CE2 3.62Å; L250-F259 HydrophobicContact CD1-CZ 4.33Å
251N98.4Very high98.4Very high86 Ų8629 Ų2946%0.4614%0.144SC..THydrogen-bonded Turntrans-55.1130.5179.8-71.5-9.3000110.7L216 L217 H248L216-N251 WeakPolarHBondContact CB-O 3.42Å; L217-N251 HydrophobicContact CD1-CB 4.06Å; L217-N251 HydrophobicContact CD2-CB 4.31Å; L217-N251 HydrophobicContact CG-CB 4.2Å; H248-N251 WeakPolarHBondContact O-CB 3.45Å; H248-N251 PolarHBondContact O-N 2.89Å; H248-N251 PolarHBondContact O-ND2 3.34Å
252G98.1Very high98.4Very high0 Ų029.2 Ų29.20%015%0.145CC..THydrogen-bonded Turntrans99.3-4.6-172.600000114.1L250 E254 F255L250-G252 PolarHBondContact O-N 3.15Å; G252-E254 WeakPolarHBondContact CA-OE2 3.39Å; G252-E254 PolarHBondContact N-OE2 2.91Å; G252-E254 PolarHBondContact O-N 2.99Å; G252-E254 VanDerWaalsContact O-N 3.12Å; G252-F255 WeakPolarHBondContact O-CB 3.41Å; G252-F255 VanDerWaalsContact O-CD2 3.23Å; G252-F255 WeakPolarHBondContact O-CD2 3.48Å; G252-F255 PolarHBondContact O-N 3.4Å
253V98.4Very high98.4Very high9 Ų929.2 Ų29.26%0.05515%0.145CC..G310 helixtrans-59-21.917470.30000113.1L90 P91 F94 L250 F255 A256 F259L90-V253 HydrophobicContact CD2-CG2 4.09Å; P91-V253 HydrophobicContact CG-CG1 4.11Å; F94-V253 HydrophobicContact CE2-CG2 4.39Å; L250-V253 HydrophobicContact CD1-CB 3.74Å; L250-V253 HydrophobicContact CD1-CG1 4.27Å; L250-V253 HydrophobicContact CD1-CG2 3.86Å; L250-V253 HydrophobicContact CD2-CG1 4.34Å; L250-V253 HydrophobicContact CG-CB 3.87Å; L250-V253 HydrophobicContact CG-CG1 3.86Å; L250-V253 HydrophobicContact CG-CG2 4.35Å; L250-V253 WeakPolarHBondContact O-CB 3.47Å; L250-V253 PolarHBondContact O-N 3.27Å; V253-F255 PolarHBondContact O-N 3.15Å; V253-A256 HydrophobicContact CG2-CB 4.41Å; V253-A256 VanDerWaalsContact O-CB 3.26Å; V253-A256 WeakPolarHBondContact O-CB 3.32Å; V253-A256 PolarHBondContact O-N 2.81Å; V253-F259 HydrophobicContact CG2-CB 4.45Å; V253-F259 HydrophobicContact CG2-CD2 4.15Å; V253-F259 HydrophobicContact CG2-CG 4.44Å
254E97.6Very high98.4Very high91 Ų9130.9 Ų30.943%0.42515%0.153SC..G310 helixtrans-59.8-24.7172.965.5-85.8-159.400113.4P91 G252 K279P91-E254 HydrophobicContact CG-CB 4.2Å; G252-E254 WeakPolarHBondContact CA-OE2 3.39Å; G252-E254 PolarHBondContact N-OE2 2.91Å; G252-E254 PolarHBondContact O-N 2.99Å; G252-E254 VanDerWaalsContact O-N 3.12Å; E254-K279 WeakPolarHBondContact O-CE 3.45Å; E254-K279 PolarHBondContact O-NZ 2.84Å
255F98.5Very high98.4Very high45 Ų4532 Ų3220%0.19715%0.151CC..G310 helixtrans-76.2-26.6173.3-60.2-68.4000112L217 G220 P221 N224 L230 G252 V253 K279L217-F255 HydrophobicContact CD2-CE2 4.49Å; G220-F255 VanDerWaalsContact CA-CB 3.44Å; P221-F255 HydrophobicContact CG-CE1 3.98Å; P221-F255 HydrophobicContact CG-CE2 4Å; P221-F255 HydrophobicContact CG-CZ 3.72Å; N224-F255 WeakPolarHBondContact ND2-CD1 3.43Å; N224-F255 PolarHBondContact OD1-O 3.39Å; L230-F255 HydrophobicContact CD2-CB 4.1Å; G252-F255 WeakPolarHBondContact O-CB 3.41Å; G252-F255 VanDerWaalsContact O-CD2 3.23Å; G252-F255 WeakPolarHBondContact O-CD2 3.48Å; G252-F255 PolarHBondContact O-N 3.4Å; V253-F255 PolarHBondContact O-N 3.15Å; F255-K279 PolarHBondContact O-NZ 2.87Å
256A98.4Very high98.4Very high0 Ų028.4 Ų28.40%013%0.134CC..  trans-64.8141.2-173.200000113.7F94 L230 V232 V253 K279F94-A256 HydrophobicContact CZ-CB 4.2Å; F94-A256 VanDerWaalsContact CZ-O 3.32Å; F94-A256 WeakPolarHBondContact CZ-O 3.35Å; L230-A256 HydrophobicContact CD2-CB 4.44Å; L230-A256 HydrophobicContact CG-CB 4.35Å; V232-A256 HydrophobicContact CB-CB 4.49Å; V232-A256 HydrophobicContact CG2-CB 3.59Å; V253-A256 HydrophobicContact CG2-CB 4.41Å; V253-A256 VanDerWaalsContact O-CB 3.26Å; V253-A256 WeakPolarHBondContact O-CB 3.32Å; V253-A256 PolarHBondContact O-N 2.81Å; A256-K279 WeakPolarHBondContact O-CE 3.28Å; A256-K279 PolarHBondContact O-NZ 2.96Å
257D98.7Very high98.3Very high23 Ų2327.1 Ų27.112%0.12313%0.128CC..SBendtrans-83.3-27.5167.7-65.4-79.1000111.4W229 L230 V278 K279W229-D257 VanDerWaalsContact CA-OD2 3.29Å; W229-D257 WeakPolarHBondContact CA-OD2 3.38Å; W229-D257 HydrophobicContact CD2-CB 3.57Å; W229-D257 VanDerWaalsContact CE2-CB 3.46Å; W229-D257 HydrophobicContact CE3-CB 4.08Å; W229-D257 HydrophobicContact CG-CB 3.89Å; W229-D257 HydrophobicContact CH2-CB 4.36Å; W229-D257 HydrophobicContact CZ2-CB 3.9Å; W229-D257 HydrophobicContact CZ3-CB 4.44Å; L230-D257 PolarHBondContact N-OD2 3.07Å; L230-D257 PolarHBondContact O-N 3.28Å; D257-V278 CarbonylContact O-C 3.59Å; D257-V278 WeakPolarHBondContact O-CA 3.46Å; D257-K279 PolarHBondContact O-N 3.09Å
258S98.8Very high98.2Very high0 Ų027.5 Ų27.50%013%0.132CC..EExtended strand (participates in β ladder)trans-149.2150.4177.657.60000112W229 L230 H231 V232 W277W229-S258 PolarHBondContact NE1-OG 2.89Å; L230-S258 PolarHBondContact O-N 3.06Å; H231-S258 WeakPolarHBondContact CA-O 3.2Å; H231-S258 WeakPolarHBondContact CA-OG 3.5Å; H231-S258 WeakPolarHBondContact CB-OG 3.36Å; H231-S258 PolarHBondContact ND1-OG 3.21Å; V232-S258 PolarHBondContact N-O 3.48Å; S258-W277 CarbonylContact C-O 3.57Å; S258-W277 WeakPolarHBondContact CA-O 3.17Å; S258-W277 WeakPolarHBondContact CB-O 3.4Å
259F98.8Very high98.1Very high0 Ų022.5 Ų22.50%011%0.11CC..EExtended strand (participates in β ladder)trans-138.8137.5179.9168.4-96.3000109L88 L90 V232 A234 F241 L250 V253 F261 M276 W277L88-F259 HydrophobicContact CD1-CE1 3.82Å; L88-F259 HydrophobicContact CD1-CZ 4.41Å; L90-F259 HydrophobicContact CD1-CD1 3.9Å; L90-F259 HydrophobicContact CD1-CE1 4.22Å; L90-F259 HydrophobicContact CD2-CD1 4.01Å; L90-F259 HydrophobicContact CD2-CE1 4.15Å; L90-F259 HydrophobicContact CD2-CG 4.35Å; V232-F259 HydrophobicContact CB-CD2 3.89Å; V232-F259 HydrophobicContact CG1-CD2 3.66Å; V232-F259 HydrophobicContact CG1-CE2 4.09Å; V232-F259 WeakPolarHBondContact O-CA 3.48Å; A234-F259 HydrophobicContact CB-CD2 4.49Å; A234-F259 HydrophobicContact CB-CE2 3.54Å; A234-F259 HydrophobicContact CB-CZ 3.91Å; F241-F259 HydrophobicContact CD2-CZ 4.45Å; L250-F259 HydrophobicContact CD1-CD2 4.15Å; L250-F259 HydrophobicContact CD1-CE2 3.62Å; L250-F259 HydrophobicContact CD1-CZ 4.33Å; V253-F259 HydrophobicContact CG2-CB 4.45Å; V253-F259 HydrophobicContact CG2-CD2 4.15Å; V253-F259 HydrophobicContact CG2-CG 4.44Å; F259-F261 AromaticContact CE1-CD1 3.92Å; F259-F261 HydrophobicContact CE1-CD1 3.92Å; F259-F261 HydrophobicContact CZ-CB 4.46Å; F259-F261 HydrophobicContact CZ-CD1 4.3Å; F259-M276 CarbonylContact O-C 3.48Å; F259-M276 WeakPolarHBondContact O-CA 3.47Å; F259-W277 AromaticContact CD1-CE3 3.61Å; F259-W277 HydrophobicContact CD1-CE3 3.61Å; F259-W277 AromaticContact CD1-CZ3 3.95Å; F259-W277 HydrophobicContact CD1-CZ3 3.95Å; F259-W277 HydrophobicContact CE1-CE3 4.07Å; F259-W277 AromaticContact CE1-CZ3 3.92Å; F259-W277 HydrophobicContact CE1-CZ3 3.92Å; F259-W277 PolarHBondContact N-O 2.95Å; F259-W277 PolarHBondContact O-N 3.33Å
260N98.8Very high97.9Very high0 Ų026.2 Ų26.20%013%0.129CC..EExtended strand (participates in β ladder)trans-133.8153.1170.476.7-82.1000112.6A110 A113 H231 V232 D233 A234 A275 M276A110-N260 VanDerWaalsContact CB-ND2 3.33Å; A110-N260 WeakPolarHBondContact CB-ND2 3.27Å; A113-N260 HydrophobicContact CB-CB 3.88Å; H231-N260 PolarHBondContact CE1-OD1 2.89Å; H231-N260 PolarHBondContact NE2-OD1 2.84Å; V232-N260 PolarHBondContact O-N 2.83Å; V232-N260 PolarHBondContact O-OD1 2.81Å; D233-N260 WeakPolarHBondContact CA-OD1 3.4Å; D233-N260 PolarHBondContact OD1-ND2 3.02Å; D233-N260 VanDerWaalsContact OD1-ND2 3.13Å; A234-N260 CarbonylContact C-O 3.51Å; A234-N260 WeakPolarHBondContact CA-O 3.43Å; A234-N260 WeakPolarHBondContact CB-O 3.42Å; A234-N260 PolarHBondContact N-O 2.96Å; N260-A275 CarbonylContact C-O 3.46Å; N260-A275 WeakPolarHBondContact CA-O 3.37Å; N260-A275 WeakPolarHBondContact CB-O 3.47Å; N260-M276 HydrophobicContact CB-CB 4.28Å
261F98.6Very high97.8Very high0 Ų032.7 Ų32.70%016%0.157CC..EExtended strand (participates in β ladder)trans-150.1172.2157.684.4-75.1000111.6L84 L88 A234 S239 F259 P263 L267 A275 W277L84-F261 HydrophobicContact CD1-CE1 4.26Å; L84-F261 HydrophobicContact CD1-CZ 3.85Å; L84-F261 HydrophobicContact CD2-CE1 3.73Å; L84-F261 HydrophobicContact CD2-CZ 3.75Å; L84-F261 HydrophobicContact CG-CE1 3.98Å; L84-F261 HydrophobicContact CG-CZ 4.02Å; L88-F261 HydrophobicContact CD1-CD1 4.18Å; L88-F261 HydrophobicContact CD1-CE1 3.69Å; L88-F261 HydrophobicContact CD2-CE1 4.43Å; A234-F261 HydrophobicContact CB-CB 4.2Å; A234-F261 WeakPolarHBondContact O-CB 3.22Å; S239-F261 VanDerWaalsContact N-CD2 3.31Å; S239-F261 WeakPolarHBondContact OG-CE2 3.4Å; F259-F261 AromaticContact CE1-CD1 3.92Å; F259-F261 HydrophobicContact CE1-CD1 3.92Å; F259-F261 HydrophobicContact CZ-CB 4.46Å; F259-F261 HydrophobicContact CZ-CD1 4.3Å; F261-P263 HydrophobicContact CE2-CG 4.01Å; F261-P263 HydrophobicContact CZ-CG 3.94Å; F261-P263 WeakPolarHBondContact O-CD 3.47Å; F261-L267 HydrophobicContact CE2-CD2 4.11Å; F261-L267 HydrophobicContact CZ-CD2 4.04Å; F261-A275 HydrophobicContact CD1-CB 4.4Å; F261-A275 HydrophobicContact CE1-CB 4.23Å; F261-A275 PolarHBondContact N-O 2.88Å; F261-A275 PolarHBondContact O-N 2.94Å; F261-W277 HydrophobicContact CD1-CH2 4.2Å; F261-W277 AromaticContact CD1-CZ3 3.85Å; F261-W277 HydrophobicContact CD1-CZ3 3.85Å; F261-W277 AromaticContact CE1-CH2 3.74Å; F261-W277 HydrophobicContact CE1-CH2 3.74Å; F261-W277 AromaticContact CE1-CZ3 3.89Å; F261-W277 HydrophobicContact CE1-CZ3 3.89Å
262N98.7Very high97.7Very high4 Ų429.5 Ų29.52%0.02114%0.141CC..  trans-109.2101.1-177.3-63.7-14000111.4A235 H264 K265 S274A235-N262 VanDerWaalsContact O-CB 3.31Å; A235-N262 WeakPolarHBondContact O-CB 3.17Å; A235-N262 PolarHBondContact O-N 3.37Å; N262-H264 VanDerWaalsContact CB-CE1 3.48Å; N262-H264 WeakPolarHBondContact CB-CE1 3.41Å; N262-H264 PolarHBondContact ND2-CE1 2.77Å; N262-H264 PolarHBondContact ND2-NE2 3.06Å; N262-H264 VanDerWaalsContact ND2-NE2 3.1Å; N262-H264 PolarHBondContact O-N 2.95Å; N262-K265 HydrophobicContact CB-CB 4.03Å; N262-K265 HydrophobicContact CB-CD 4.1Å; N262-K265 HydrophobicContact CB-CG 3.72Å; N262-K265 WeakPolarHBondContact ND2-CE 3.19Å; N262-K265 PolarHBondContact O-N 2.99Å; N262-S274 VanDerWaalsContact OD1-CB 3.3Å; N262-S274 WeakPolarHBondContact OD1-CB 3.48Å; N262-S274 PolarHBondContact OD1-OG 2.92Å
263P98.3Very high97.6Very high0 Ų029.5 Ų29.50%014%0.141CC..Hα-helixtrans-49.4-30.2162.9-30.834.4000113.1L84 F261 K265 L267 V269 C273 A275 M324L84-P263 HydrophobicContact CD2-CG 3.95Å; F261-P263 HydrophobicContact CE2-CG 4.01Å; F261-P263 HydrophobicContact CZ-CG 3.94Å; F261-P263 WeakPolarHBondContact O-CD 3.47Å; P263-K265 VanDerWaalsContact C-N 3.29Å; P263-K265 PolarHBondContact O-N 3.35Å; P263-L267 HydrophobicContact CB-CB 4.13Å; P263-L267 HydrophobicContact CB-CD2 4.22Å; P263-L267 HydrophobicContact CG-CD2 4.48Å; P263-L267 CarbonylContact O-C 3.59Å; P263-L267 WeakPolarHBondContact O-CA 3.46Å; P263-L267 WeakPolarHBondContact O-CB 3.18Å; P263-L267 PolarHBondContact O-N 3.48Å; P263-V269 HydrophobicContact CB-CB 4.08Å; P263-V269 HydrophobicContact CB-CG2 3.88Å; P263-C273 VanDerWaalsContact CD-O 3.28Å; P263-C273 WeakPolarHBondContact CD-O 3.38Å; P263-A275 HydrophobicContact CG-CB 3.99Å; P263-M324 HydrophobicContact CG-SD 4.33Å
264H98.1Very high97.6Very high36 Ų3629.1 Ų29.117%0.16714%0.138CC..Hα-helixtrans-74.4-8.8176.770.5-107.6000116.8N262 V269 F271 C273N262-H264 VanDerWaalsContact CB-CE1 3.48Å; N262-H264 WeakPolarHBondContact CB-CE1 3.41Å; N262-H264 PolarHBondContact ND2-CE1 2.77Å; N262-H264 PolarHBondContact ND2-NE2 3.06Å; N262-H264 VanDerWaalsContact ND2-NE2 3.1Å; N262-H264 PolarHBondContact O-N 2.95Å; H264-V269 WeakPolarHBondContact CA-O 3.45Å; H264-F271 HydrophobicContact CB-CB 4.35Å; H264-F271 AromaticContact CD2-CD2 3.66Å; H264-F271 AromaticContact CG-CD2 3.87Å; H264-F271 AromaticContact NE2-CD2 3.78Å; H264-C273 HydrophobicContact CB-CB 4.22Å; H264-C273 PolarHBondContact N-O 2.88Å; H264-C273 PolarHBondContact ND1-N 2.89Å; H264-C273 VanDerWaalsContact ND1-N 3.15Å; H264-C273 PolarHBondContact ND1-O 3.41Å
265K98.1Very high97.7Very high95 Ų9524.8 Ų24.841%0.41312%0.118SC..Hα-helixtrans-86.8-53.7173.4-78.4-171.2177.7-179.40110.8A235 N262 P263A235-K265 HydrophobicContact CB-CD 4.32Å; A235-K265 WeakPolarHBondContact O-CD 3.4Å; N262-K265 HydrophobicContact CB-CB 4.03Å; N262-K265 HydrophobicContact CB-CD 4.1Å; N262-K265 HydrophobicContact CB-CG 3.72Å; N262-K265 WeakPolarHBondContact ND2-CE 3.19Å; N262-K265 PolarHBondContact O-N 2.99Å; P263-K265 VanDerWaalsContact C-N 3.29Å; P263-K265 PolarHBondContact O-N 3.35Å
266W98.1Very high97.7Very high4 Ų422.6 Ų22.62%0.01511%0.108CC..Hα-helixtrans-143.626.1-167-155.428.7000113.9Y236 S239 A240 Y339 I340 H343 V344 L368Y236-W266 HydrophobicContact CD2-CB 4.2Å; Y236-W266 HydrophobicContact CD2-CD2 4.37Å; Y236-W266 HydrophobicContact CD2-CE3 4.09Å; Y236-W266 HydrophobicContact CD2-CG 4.47Å; Y236-W266 HydrophobicContact CE1-CE3 4.24Å; Y236-W266 HydrophobicContact CE1-CZ3 4.12Å; Y236-W266 HydrophobicContact CE2-CB 4.06Å; Y236-W266 AromaticContact CE2-CD2 3.53Å; Y236-W266 HydrophobicContact CE2-CD2 3.53Å; Y236-W266 AromaticContact CE2-CE3 3.41Å; Y236-W266 HydrophobicContact CE2-CE3 3.41Å; Y236-W266 VanDerWaalsContact CE2-CE3 3.41Å; Y236-W266 AromaticContact CE2-CG 3.84Å; Y236-W266 HydrophobicContact CE2-CG 3.84Å; Y236-W266 HydrophobicContact CE2-CZ3 4.02Å; Y236-W266 AromaticContact CZ-CD2 3.91Å; Y236-W266 AromaticContact CZ-CE3 3.5Å; Y236-W266 AromaticContact CZ-CZ3 3.59Å; Y236-W266 WeakPolarHBondContact OH-CH2 3.37Å; Y236-W266 WeakPolarHBondContact OH-CZ3 3.4Å; S239-W266 WeakPolarHBondContact CB-O 3.45Å; A240-W266 HydrophobicContact CB-CZ3 4.06Å; W266-Y339 AromaticContact CD1-CE1 3.83Å; W266-I340 HydrophobicContact CD2-CD1 3.52Å; W266-I340 HydrophobicContact CE3-CD1 3.89Å; W266-I340 HydrophobicContact CG-CD1 3.82Å; W266-I340 HydrophobicContact CH2-CG2 4.24Å; W266-I340 HydrophobicContact CZ2-CD1 4.21Å; W266-I340 HydrophobicContact CZ3-CD1 4.36Å; W266-I340 WeakPolarHBondContact O-CD1 3.3Å; W266-H343 AromaticContact CD1-ND1 3.93Å; W266-H343 HydrophobicContact CZ2-CB 3.51Å; W266-H343 AromaticContact NE1-CE1 3.93Å; W266-H343 AromaticContact NE1-CG 3.52Å; W266-H343 AromaticContact NE1-ND1 3.07Å; W266-H343 PolarHBondContact NE1-ND1 2.97Å; W266-V344 HydrophobicContact CH2-CG2 3.77Å; W266-V344 HydrophobicContact CZ2-CG2 4.26Å; W266-L368 HydrophobicContact CH2-CB 4Å; W266-L368 HydrophobicContact CZ3-CB 4.1Å; W266-L368 HydrophobicContact CZ3-CD1 4.17Å
267L97.3Very high97.7Very high0 Ų022.6 Ų22.60%011%0.108CC..SBendtrans-129.624.8177.1-154.966.6000113L84 I242 F261 P263 V269 F328 L336L84-L267 HydrophobicContact CD1-CD2 3.93Å; I242-L267 HydrophobicContact CD1-CD1 3.76Å; F261-L267 HydrophobicContact CE2-CD2 4.11Å; F261-L267 HydrophobicContact CZ-CD2 4.04Å; P263-L267 HydrophobicContact CB-CB 4.13Å; P263-L267 HydrophobicContact CB-CD2 4.22Å; P263-L267 HydrophobicContact CG-CD2 4.48Å; P263-L267 CarbonylContact O-C 3.59Å; P263-L267 WeakPolarHBondContact O-CA 3.46Å; P263-L267 WeakPolarHBondContact O-CB 3.18Å; P263-L267 PolarHBondContact O-N 3.48Å; L267-V269 PolarHBondContact O-N 3.48Å; L267-F328 HydrophobicContact CD2-CE1 3.89Å; L267-F328 HydrophobicContact CD2-CZ 4.34Å; L267-L336 HydrophobicContact CD1-CB 4.36Å; L267-L336 HydrophobicContact CD1-CD1 4.4Å; L267-L336 HydrophobicContact CD1-CD2 4.39Å
268L96.4Very high97.6Very high40 Ų4021.6 Ų21.621%0.20910%0.103CC..SBendtrans62.79.4172.6-55179.8000116.3V327 Y331 L336 Y339 R415L268-V327 HydrophobicContact CB-CG1 4.28Å; L268-Y331 HydrophobicContact CB-CE2 4.39Å; L268-Y331 HydrophobicContact CD1-CD1 4.14Å; L268-Y331 HydrophobicContact CD1-CD2 4.32Å; L268-Y331 HydrophobicContact CD1-CE1 3.79Å; L268-Y331 HydrophobicContact CD1-CE2 3.97Å; L268-Y331 HydrophobicContact CD1-CG 4.4Å; L268-L336 HydrophobicContact CD1-CD2 4.15Å; L268-Y339 HydrophobicContact CD1-CD1 4.18Å; L268-Y339 HydrophobicContact CD1-CD2 4.18Å; L268-Y339 HydrophobicContact CD1-CE1 4.46Å; L268-Y339 HydrophobicContact CD1-CE2 4.45Å; L268-Y339 HydrophobicContact CD1-CG 4.03Å; L268-Y339 HydrophobicContact CD2-CD1 4.29Å; L268-Y339 HydrophobicContact CD2-CD2 4.2Å; L268-Y339 HydrophobicContact CD2-CE1 3.75Å; L268-Y339 HydrophobicContact CD2-CE2 3.64Å; L268-Y339 HydrophobicContact CD2-CG 4.49Å; L268-Y339 HydrophobicContact CG-CD1 4.05Å; L268-Y339 HydrophobicContact CG-CD2 4.5Å; L268-Y339 HydrophobicContact CG-CE1 3.89Å; L268-Y339 HydrophobicContact CG-CE2 4.35Å; L268-Y339 HydrophobicContact CG-CG 4.35Å; L268-R415 HydrophobicContact CD2-CB 4.09Å; L268-R415 HydrophobicContact CD2-CG 3.86Å
269V95.5Very high97.4Very high6 Ų623.5 Ų23.54%0.03611%0.111CC..PPolyproline II helixtrans-85.2134.4170.5-174.50000108.5P263 H264 L267 C273 K323 V327P263-V269 HydrophobicContact CB-CB 4.08Å; P263-V269 HydrophobicContact CB-CG2 3.88Å; H264-V269 WeakPolarHBondContact CA-O 3.45Å; L267-V269 PolarHBondContact O-N 3.48Å; V269-C273 HydrophobicContact CB-CB 4.38Å; V269-C273 HydrophobicContact CG1-CB 3.67Å; V269-K323 HydrophobicContact CG1-CB 4.45Å; V269-K323 HydrophobicContact CG1-CD 3.68Å; V269-K323 HydrophobicContact CG1-CG 3.85Å; V269-V327 HydrophobicContact CG2-CB 4.14Å; V269-V327 HydrophobicContact CG2-CG1 4.15Å; V269-V327 HydrophobicContact CG2-CG2 4.05Å
270N93.6Very high97.2Very high106 Ų10627.6 Ų27.657%0.56713%0.129SC*.PPolyproline II helixtrans-72.8151176.467.2-68000111.6K323N270-K323 PolarHBondContact O-NZ 2.83Å; N270-K323 VanDerWaalsContact OD1-CD 3.27Å; N270-K323 WeakPolarHBondContact OD1-CD 3.42Å
271F95.6Very high96.9Very high141 Ų14131 Ų3162%0.61814%0.142SC*.SBendtrans-58.2141.9174.8-174.7-90.3000111.7H264H264-F271 HydrophobicContact CB-CB 4.35Å; H264-F271 AromaticContact CD2-CD2 3.66Å; H264-F271 AromaticContact CG-CD2 3.87Å; H264-F271 AromaticContact NE2-CD2 3.78Å
272D96.3Very high96.6Very high20 Ų2035 Ų3511%0.10717%0.166CC..SBendcis-92.7133.1-161.8-38.8000113.2G108 R318 R320 K323G108-D272 WeakPolarHBondContact O-CB 3.28Å; D272-R318 IonicContact OD1-NH1 3.64Å; D272-R320 IonicContact OD1-NE 2.59Å; D272-R320 IonicContact OD2-CZ 2.66Å; D272-R320 IonicContact OD2-NE 2.74Å; D272-R320 PolarHBondContact OD2-NE 2.87Å; D272-R320 IonicContact OD2-NH2 2.87Å; D272-R320 PolarHBondContact OD2-NH2 3.26Å; D272-K323 WeakPolarHBondContact O-CE 3.47Å; D272-K323 PolarHBondContact O-NZ 2.6Å; D272-K323 IonicContact OD1-NZ 3.26Å
273C97.7Very high96.4Very high0 Ų036 Ų360%017%0.172CC..  trans-160.887.9175-169.50000110.7P263 H264 V269P263-C273 VanDerWaalsContact CD-O 3.28Å; P263-C273 WeakPolarHBondContact CD-O 3.38Å; H264-C273 HydrophobicContact CB-CB 4.22Å; H264-C273 PolarHBondContact N-O 2.88Å; H264-C273 PolarHBondContact ND1-N 2.89Å; H264-C273 VanDerWaalsContact ND1-N 3.15Å; H264-C273 PolarHBondContact ND1-O 3.41Å; V269-C273 HydrophobicContact CB-CB 4.38Å; V269-C273 HydrophobicContact CG1-CB 3.67Å
274S98.1Very high96.2Very high0 Ų036 Ų360%017%0.172CC..EExtended strand (participates in β ladder)trans-109.2118.2176.8-171.80000109.1I106 Q107 S109 A110 N262I106-S274 CarbonylContact C-O 3.49Å; I106-S274 WeakPolarHBondContact CA-O 3.23Å; Q107-S274 PolarHBondContact N-O 3.26Å; Q107-S274 PolarHBondContact O-N 2.91Å; S109-S274 VanDerWaalsContact C-CB 3.41Å; S109-S274 VanDerWaalsContact C-OG 3.29Å; S109-S274 PolarHBondContact O-OG 2.92Å; A110-S274 PolarHBondContact N-OG 3.38Å; N262-S274 VanDerWaalsContact OD1-CB 3.3Å; N262-S274 WeakPolarHBondContact OD1-CB 3.48Å; N262-S274 PolarHBondContact OD1-OG 2.92Å
275A98.4Very high96Very high0 Ų035.9 Ų35.90%017%0.174CC..EExtended strand (participates in β ladder)trans-90.6122.6-176.900000108.5M81 L84 N260 F261 P263 W277M81-A275 HydrophobicContact CE-CB 3.83Å; M81-A275 HydrophobicContact SD-CB 4.03Å; L84-A275 HydrophobicContact CD2-CB 3.83Å; N260-A275 CarbonylContact C-O 3.46Å; N260-A275 WeakPolarHBondContact CA-O 3.37Å; N260-A275 WeakPolarHBondContact CB-O 3.47Å; F261-A275 HydrophobicContact CD1-CB 4.4Å; F261-A275 HydrophobicContact CE1-CB 4.23Å; F261-A275 PolarHBondContact N-O 2.88Å; F261-A275 PolarHBondContact O-N 2.94Å; P263-A275 HydrophobicContact CG-CB 3.99Å; A275-W277 HydrophobicContact CB-CE3 4.49Å; A275-W277 HydrophobicContact CB-CH2 3.49Å; A275-W277 VanDerWaalsContact CB-CH2 3.49Å; A275-W277 HydrophobicContact CB-CZ2 4.44Å; A275-W277 HydrophobicContact CB-CZ3 3.52Å
276M98.4Very high95.6Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-123.7136178178.8-175.9179.800109.6M81 G104 V105 Q107 A113 V116 A117 F259 N260 V278 L284M81-M276 WeakPolarHBondContact CE-O 3.3Å; G104-M276 CarbonylContact C-O 3.6Å; G104-M276 VanDerWaalsContact CA-O 3.24Å; G104-M276 WeakPolarHBondContact CA-O 3.49Å; V105-M276 HydrophobicContact CG1-CB 4.2Å; V105-M276 PolarHBondContact N-O 3.45Å; V105-M276 PolarHBondContact O-N 2.86Å; Q107-M276 HydrophobicContact CG-CB 4.07Å; Q107-M276 HydrophobicContact CG-SD 4.19Å; A113-M276 HydrophobicContact CB-CB 4.03Å; A113-M276 HydrophobicContact CB-CG 4.1Å; A113-M276 HydrophobicContact CB-SD 3.74Å; A113-M276 WeakPolarHBondContact O-CE 3.48Å; V116-M276 HydrophobicContact CB-CE 4.4Å; V116-M276 HydrophobicContact CB-SD 4.34Å; V116-M276 HydrophobicContact CG1-CE 3.99Å; V116-M276 HydrophobicContact CG1-SD 4.09Å; A117-M276 HydrophobicContact CB-CE 3.83Å; F259-M276 CarbonylContact O-C 3.48Å; F259-M276 WeakPolarHBondContact O-CA 3.47Å; N260-M276 HydrophobicContact CB-CB 4.28Å; M276-V278 HydrophobicContact CE-CG1 3.82Å; M276-L284 HydrophobicContact CE-CD2 4.49Å
277W98.4Very high95.4Very high0 Ų034.6 Ų34.60%019%0.186CC..EExtended strand (participates in β ladder)trans-118.8148.9170.7-66-97.9000110.6M81 L84 L88 L90 F94 G103 S258 F259 F261 A275M81-W277 HydrophobicContact CE-CD2 3.73Å; M81-W277 HydrophobicContact CE-CE3 4.06Å; M81-W277 HydrophobicContact CE-CG 4.36Å; M81-W277 HydrophobicContact CE-CH2 3.77Å; M81-W277 HydrophobicContact CE-CZ2 3.42Å; M81-W277 VanDerWaalsContact CE-CZ2 3.42Å; M81-W277 HydrophobicContact CE-CZ3 4.08Å; M81-W277 WeakPolarHBondContact O-CZ2 3.27Å; M81-W277 PolarHBondContact O-NE1 3.38Å; M81-W277 HydrophobicContact SD-CZ2 4.29Å; L84-W277 HydrophobicContact CB-CH2 4.24Å; L84-W277 HydrophobicContact CB-CZ2 3.95Å; L84-W277 HydrophobicContact CD2-CH2 3.61Å; L84-W277 HydrophobicContact CD2-CZ2 4.09Å; L84-W277 HydrophobicContact CG-CH2 3.71Å; L84-W277 HydrophobicContact CG-CZ2 3.93Å; L88-W277 HydrophobicContact CD1-CH2 3.99Å; L88-W277 HydrophobicContact CD1-CZ3 4.3Å; L90-W277 HydrophobicContact CD1-CD2 3.64Å; L90-W277 HydrophobicContact CD1-CE3 3.98Å; L90-W277 HydrophobicContact CD1-CG 3.94Å; L90-W277 HydrophobicContact CD1-CZ2 4.33Å; L90-W277 HydrophobicContact CD1-CZ3 4.44Å; F94-W277 HydrophobicContact CB-CB 4.01Å; F94-W277 HydrophobicContact CB-CG 4.29Å; F94-W277 HydrophobicContact CD1-CB 3.61Å; F94-W277 HydrophobicContact CE1-CB 4.4Å; F94-W277 HydrophobicContact CG-CB 4.1Å; F94-W277 VanDerWaalsContact O-CD1 3.29Å; G103-W277 WeakPolarHBondContact O-CA 3.34Å; S258-W277 CarbonylContact C-O 3.57Å; S258-W277 WeakPolarHBondContact CA-O 3.17Å; S258-W277 WeakPolarHBondContact CB-O 3.4Å; F259-W277 AromaticContact CD1-CE3 3.61Å; F259-W277 HydrophobicContact CD1-CE3 3.61Å; F259-W277 AromaticContact CD1-CZ3 3.95Å; F259-W277 HydrophobicContact CD1-CZ3 3.95Å; F259-W277 HydrophobicContact CE1-CE3 4.07Å; F259-W277 AromaticContact CE1-CZ3 3.92Å; F259-W277 HydrophobicContact CE1-CZ3 3.92Å; F259-W277 PolarHBondContact N-O 2.95Å; F259-W277 PolarHBondContact O-N 3.33Å; F261-W277 HydrophobicContact CD1-CH2 4.2Å; F261-W277 AromaticContact CD1-CZ3 3.85Å; F261-W277 HydrophobicContact CD1-CZ3 3.85Å; F261-W277 AromaticContact CE1-CH2 3.74Å; F261-W277 HydrophobicContact CE1-CH2 3.74Å; F261-W277 AromaticContact CE1-CZ3 3.89Å; F261-W277 HydrophobicContact CE1-CZ3 3.89Å; A275-W277 HydrophobicContact CB-CE3 4.49Å; A275-W277 HydrophobicContact CB-CH2 3.49Å; A275-W277 VanDerWaalsContact CB-CH2 3.49Å; A275-W277 HydrophobicContact CB-CZ2 4.44Å; A275-W277 HydrophobicContact CB-CZ3 3.52Å
278V97.6Very high95.2Very high1 Ų136.4 Ų36.41%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-126.7143.2170.7-66.70000109.9F94 G102 G103 D257 M276 K280 L284 W311F94-V278 VanDerWaalsContact CD1-C 3.46Å; G102-V278 CarbonylContact C-O 3.32Å; G102-V278 WeakPolarHBondContact CA-O 3.44Å; G103-V278 PolarHBondContact N-O 3.26Å; G103-V278 VanDerWaalsContact N-O 3.08Å; G103-V278 PolarHBondContact O-N 3.03Å; D257-V278 CarbonylContact O-C 3.59Å; D257-V278 WeakPolarHBondContact O-CA 3.46Å; M276-V278 HydrophobicContact CE-CG1 3.82Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-L284 HydrophobicContact CB-CD1 4.32Å; V278-L284 HydrophobicContact CB-CG 4.39Å; V278-L284 HydrophobicContact CG1-CD1 3.65Å; V278-L284 HydrophobicContact CG1-CD2 4Å; V278-L284 HydrophobicContact CG1-CG 3.79Å; V278-L284 HydrophobicContact CG2-CD1 3.74Å; V278-L284 HydrophobicContact CG2-CG 4.03Å; V278-W311 HydrophobicContact CG2-CE3 4.3Å; V278-W311 HydrophobicContact CG2-CZ3 3.83Å
279K95.5Very high94.8Very high40 Ų4040.8 Ų40.817%0.17421%0.208CC..SBendtrans-72.1-29.7179.3-174-178.2-81.8160.30111.7A93 F94 E101 G102 E254 F255 A256 D257A93-K279 HydrophobicContact CB-CG 3.94Å; F94-K279 HydrophobicContact CD1-CB 4.37Å; F94-K279 HydrophobicContact CE1-CB 3.94Å; F94-K279 HydrophobicContact CZ-CB 4.33Å; E101-K279 CarbonylContact C-O 3.58Å; G102-K279 VanDerWaalsContact CA-O 3.22Å; G102-K279 WeakPolarHBondContact CA-O 3.45Å; G102-K279 PolarHBondContact N-O 3.39Å; G102-K279 VanDerWaalsContact N-O 3.09Å; E254-K279 WeakPolarHBondContact O-CE 3.45Å; E254-K279 PolarHBondContact O-NZ 2.84Å; F255-K279 PolarHBondContact O-NZ 2.87Å; A256-K279 WeakPolarHBondContact O-CE 3.28Å; A256-K279 PolarHBondContact O-NZ 2.96Å; D257-K279 PolarHBondContact O-N 3.09Å
280K94.3Very high94.1Very high87 Ų8747 Ų4738%0.37824%0.24SC..  trans-133.9110.6177.6-65.6-172.5177.4-173.50110.7E101 V278 T282 D283E101-K280 HydrophobicContact CB-CG 4.46Å; E101-K280 WeakPolarHBondContact OE2-CE 3.37Å; V278-K280 VanDerWaalsContact C-N 3.33Å; K280-T282 PolarHBondContact O-N 2.86Å; K280-D283 WeakPolarHBondContact O-CB 3.49Å; K280-D283 PolarHBondContact O-N 2.96Å
281R91.6Very high93.6Very high71 Ų7144.3 Ų44.327%0.26823%0.225SC..Hα-helixtrans-62.2-30.4-179.272.9-172.586.2-177.27.4113.3G100 E101 G102 D283 L284 T285 W311G100-R281 PolarHBondContact O-NH2 3.16Å; E101-R281 WeakPolarHBondContact O-CB 3.25Å; E101-R281 VanDerWaalsContact O-CG 3.23Å; E101-R281 WeakPolarHBondContact O-CG 3.38Å; E101-R281 PolarHBondContact O-N 3.25Å; E101-R281 PolarHBondContact O-NE 2.8Å; G102-R281 PolarHBondContact O-NE 2.84Å; R281-D283 PolarHBondContact O-N 2.85Å; R281-L284 PolarHBondContact O-N 3.27Å; R281-L284 VanDerWaalsContact O-N 3.13Å; R281-T285 PolarHBondContact O-N 2.85Å; R281-W311 HydrophobicContact CB-CH2 3.4Å; R281-W311 HydrophobicContact CB-CZ2 3.34Å; R281-W311 HydrophobicContact CB-CZ3 4.29Å; R281-W311 HydrophobicContact CG-CZ2 4.22Å
282T92.4Very high92.9Very high84 Ų8439.5 Ų39.552%0.51521%0.208SC..Hα-helixtrans-64.3-24.6179.546.30000112.9K280 T285 G286K280-T282 PolarHBondContact O-N 2.86Å; T282-T285 WeakPolarHBondContact CA-OG1 3.29Å; T282-T285 PolarHBondContact O-OG1 2.95Å; T282-G286 WeakPolarHBondContact O-CA 3.36Å; T282-G286 PolarHBondContact O-N 3.49Å
283D94.9Very high92.1Very high25 Ų2544.2 Ų44.213%0.13424%0.238CC..Hα-helixtrans-70.8-35.4175-70-20.7000111.4K124 W229 K280 R281K124-D283 IonicContact NZ-OD1 3.66Å; K124-D283 IonicContact NZ-OD2 3.39Å; K124-D283 PolarHBondContact NZ-OD2 3.13Å; W229-D283 HydrophobicContact CH2-CB 3.68Å; W229-D283 HydrophobicContact CZ3-CB 3.58Å; W229-D283 WeakPolarHBondContact CZ3-OD2 3.3Å; K280-D283 WeakPolarHBondContact O-CB 3.49Å; K280-D283 PolarHBondContact O-N 2.96Å; R281-D283 PolarHBondContact O-N 2.85Å
284L94.2Very high91.1Very high0 Ų053.2 Ų53.20%027%0.273CS..Hα-helixtrans-72.3-51.2171.9-66.7-171.2000111.1V116 A120 M276 V278 R281 G286 A287 F288 H310 W311V116-L284 HydrophobicContact CG1-CD2 3.67Å; A120-L284 HydrophobicContact CB-CD2 3.66Å; M276-L284 HydrophobicContact CE-CD2 4.49Å; V278-L284 HydrophobicContact CB-CD1 4.32Å; V278-L284 HydrophobicContact CB-CG 4.39Å; V278-L284 HydrophobicContact CG1-CD1 3.65Å; V278-L284 HydrophobicContact CG1-CD2 4Å; V278-L284 HydrophobicContact CG1-CG 3.79Å; V278-L284 HydrophobicContact CG2-CD1 3.74Å; V278-L284 HydrophobicContact CG2-CG 4.03Å; R281-L284 PolarHBondContact O-N 3.27Å; R281-L284 VanDerWaalsContact O-N 3.13Å; L284-G286 VanDerWaalsContact C-N 3.26Å; L284-G286 PolarHBondContact O-N 3.19Å; L284-A287 WeakPolarHBondContact O-CB 3.34Å; L284-A287 PolarHBondContact O-N 3.18Å; L284-F288 HydrophobicContact CD2-CE2 4.48Å; L284-F288 VanDerWaalsContact O-CD2 3.28Å; L284-F288 WeakPolarHBondContact O-CD2 3.25Å; L284-F288 PolarHBondContact O-N 2.85Å; L284-H310 CarbonylContact C-O 3.22Å; L284-W311 HydrophobicContact CD1-CB 4.11Å; L284-W311 HydrophobicContact CD1-CD2 4.05Å; L284-W311 HydrophobicContact CD1-CE3 3.68Å; L284-W311 HydrophobicContact CD1-CG 4.24Å; L284-W311 HydrophobicContact CD1-CZ3 4.48Å
285T92.5Very high90.1Very high34 Ų3455.4 Ų55.421%0.20929%0.285CS..Hα-helixtrans-64.5-34.6-177.163.20000111.5R281 T282 A287 F288 R289 H310R281-T285 PolarHBondContact O-N 2.85Å; T282-T285 WeakPolarHBondContact CA-OG1 3.29Å; T282-T285 PolarHBondContact O-OG1 2.95Å; T285-A287 PolarHBondContact O-N 2.76Å; T285-A287 VanDerWaalsContact O-N 3.15Å; T285-F288 PolarHBondContact O-N 3.35Å; T285-R289 WeakPolarHBondContact O-CB 3.39Å; T285-R289 PolarHBondContact O-N 3.3Å; T285-H310 HydrophobicContact CG2-CB 3.82Å
286G91.1Very high89.2Confident43 Ų4360.8 Ų60.844%0.44331%0.308SS..Hα-helixtrans-60.7-20.9172.700000114.3T282 L284T282-G286 WeakPolarHBondContact O-CA 3.36Å; T282-G286 PolarHBondContact O-N 3.49Å; L284-G286 VanDerWaalsContact C-N 3.26Å; L284-G286 PolarHBondContact O-N 3.19Å
287A93.4Very high87.9Confident29 Ų2963.8 Ų63.824%0.2432%0.322CS..Hα-helixtrans-97.2-31.217800000114.4A120 T123 L284 T285A120-A287 HydrophobicContact CB-CB 4.29Å; T123-A287 HydrophobicContact CG2-CB 4.18Å; L284-A287 WeakPolarHBondContact O-CB 3.34Å; L284-A287 PolarHBondContact O-N 3.18Å; T285-A287 PolarHBondContact O-N 2.76Å; T285-A287 VanDerWaalsContact O-N 3.15Å
288F93.3Very high86.5Confident37 Ų3769 Ų6916%0.16236%0.359CS..Hα-helixtrans-118.71.1-170.9-60.3-75.1000114.5V116 L119 L284 T285 L290 I313V116-F288 HydrophobicContact CB-CE2 4.5Å; V116-F288 HydrophobicContact CB-CZ 4.4Å; V116-F288 HydrophobicContact CG1-CE2 3.82Å; V116-F288 HydrophobicContact CG1-CZ 4.21Å; V116-F288 HydrophobicContact CG2-CZ 4.3Å; L119-F288 HydrophobicContact CB-CE1 4.38Å; L119-F288 HydrophobicContact CB-CZ 3.77Å; L119-F288 HydrophobicContact CD1-CE1 3.96Å; L119-F288 HydrophobicContact CD1-CZ 3.96Å; L284-F288 HydrophobicContact CD2-CE2 4.48Å; L284-F288 VanDerWaalsContact O-CD2 3.28Å; L284-F288 WeakPolarHBondContact O-CD2 3.25Å; L284-F288 PolarHBondContact O-N 2.85Å; T285-F288 PolarHBondContact O-N 3.35Å; F288-L290 PolarHBondContact O-N 3.1Å; F288-L290 VanDerWaalsContact O-N 3.16Å; F288-I313 HydrophobicContact CE1-CG1 4.49Å
289R88.4Confident84.9Confident133 Ų13373.1 Ų73.150%0.50238%0.378SS..  trans-66.1116.7-179.1-175.2173.2-175.7169.25.9111.5T285 D291 D301 H310T285-R289 WeakPolarHBondContact O-CB 3.39Å; T285-R289 PolarHBondContact O-N 3.3Å; R289-D291 IonicContact CZ-OD2 3.59Å; R289-D291 VanDerWaalsContact CZ-OD2 3.3Å; R289-D291 IonicContact NE-OD2 2.7Å; R289-D291 PolarHBondContact NE-OD2 3.32Å; R289-D291 IonicContact NH2-OD2 3.01Å; R289-D291 PolarHBondContact NH2-OD2 3.4Å; R289-D301 IonicContact NH2-OD1 3.18Å; R289-H310 WeakPolarHBondContact CA-ND1 3.32Å
290L81.2Confident83.5Confident135 Ų13573.9 Ų73.971%0.70738%0.382SS*.  trans-135.2119.9170.9-67.4174.4000108.1F288 P292 H310F288-L290 PolarHBondContact O-N 3.1Å; F288-L290 VanDerWaalsContact O-N 3.16Å; L290-P292 VanDerWaalsContact O-CD 3.23Å; L290-P292 WeakPolarHBondContact O-CD 3.34Å; L290-H310 PolarHBondContact O-CE1 3.45Å
291D82.5Confident82Confident50 Ų5075.3 Ų75.327%0.26739%0.393SS..  trans-119.965.1-172.7-71.6-29.6000112.7R289 R309 H310R289-D291 IonicContact CZ-OD2 3.59Å; R289-D291 VanDerWaalsContact CZ-OD2 3.3Å; R289-D291 IonicContact NE-OD2 2.7Å; R289-D291 PolarHBondContact NE-OD2 3.32Å; R289-D291 IonicContact NH2-OD2 3.01Å; R289-D291 PolarHBondContact NH2-OD2 3.4Å; D291-R309 IonicContact OD1-CZ 2.79Å; D291-R309 IonicContact OD1-NH2 3.33Å; D291-R309 PolarHBondContact OD1-NH2 3.33Å; D291-H310 IonicContact OD1-CE1 3.68Å; D291-H310 PolarHBondContact OD1-CE1 2.95Å; D291-H310 IonicContact OD1-NE2 3.67Å; D291-H310 PolarHBondContact OD1-NE2 3.31Å
292P81.1Confident80.5Confident41 Ų4174.4 Ų74.427%0.26640%0.398SS..  trans-64.6147.5171.531.5-35.3000110.2L290 Y294 L295L290-P292 VanDerWaalsContact O-CD 3.23Å; L290-P292 WeakPolarHBondContact O-CD 3.34Å; P292-Y294 HydrophobicContact CB-CD1 3.98Å; P292-Y294 HydrophobicContact CB-CE1 3.46Å; P292-Y294 VanDerWaalsContact CB-CE1 3.46Å; P292-Y294 HydrophobicContact CB-CE2 4.32Å; P292-Y294 HydrophobicContact CG-CD2 4.46Å; P292-Y294 HydrophobicContact CG-CE1 3.91Å; P292-Y294 HydrophobicContact CG-CE2 3.85Å; P292-Y294 PolarHBondContact O-N 2.94Å; P292-L295 HydrophobicContact CG-CB 4.25Å; P292-L295 HydrophobicContact CG-CD1 3.66Å; P292-L295 HydrophobicContact CG-CG 3.9Å; P292-L295 PolarHBondContact O-N 3.42Å
293T80.1Confident79.1Confident119 Ų11973.4 Ų73.473%0.7340%0.404SS*.G310 helixtrans-53.8-35-172.1-53.50000113.8L295 K296T293-L295 PolarHBondContact O-N 2.84Å; T293-K296 PolarHBondContact O-N 2.9Å
294Y75Confident77.4Confident188 Ų18878.7 Ų78.774%0.73743%0.432SS*.G310 helixtrans-73.8-6-178.859.5-99.9000114.8P292P292-Y294 HydrophobicContact CB-CD1 3.98Å; P292-Y294 HydrophobicContact CB-CE1 3.46Å; P292-Y294 VanDerWaalsContact CB-CE1 3.46Å; P292-Y294 HydrophobicContact CB-CE2 4.32Å; P292-Y294 HydrophobicContact CG-CD2 4.46Å; P292-Y294 HydrophobicContact CG-CE1 3.91Å; P292-Y294 HydrophobicContact CG-CE2 3.85Å; P292-Y294 PolarHBondContact O-N 2.94Å
295L78.7Confident75.9Confident46 Ų4681.7 Ų81.724%0.24145%0.448CS..G310 helixtrans-108.91.9175.2-62.8-179.2000113.2P292 T293 R309 L315P292-L295 HydrophobicContact CG-CB 4.25Å; P292-L295 HydrophobicContact CG-CD1 3.66Å; P292-L295 HydrophobicContact CG-CG 3.9Å; P292-L295 PolarHBondContact O-N 3.42Å; T293-L295 PolarHBondContact O-N 2.84Å; L295-R309 PolarHBondContact O-NH1 3.44Å; L295-L315 HydrophobicContact CD1-CD1 3.71Å; L295-L315 HydrophobicContact CD1-CD2 4.07Å; L295-L315 HydrophobicContact CD2-CD1 4.44Å; L295-L315 HydrophobicContact CD2-CD2 4.31Å
296K77.6Confident75.1Confident114 Ų11481.2 Ų81.250%0.49645%0.445SS..  trans-75.3144.2-179.5-66.8-173175.3-179.90111.3T293T293-K296 PolarHBondContact O-N 2.9Å
297H71.3Confident74.7Confident62 Ų6281 Ų8129%0.28743%0.434SS..  trans-144160.5174.965.493000111.2H299 Q300H297-H299 PolarHBondContact ND1-N 3.37Å; H297-H299 PolarHBondContact O-N 3.27Å; H297-Q300 VanDerWaalsContact CE1-CA 3.49Å; H297-Q300 WeakPolarHBondContact CE1-CA 3.18Å; H297-Q300 PolarHBondContact CE1-N 3.08Å; H297-Q300 PolarHBondContact ND1-N 3.14Å; H297-Q300 WeakPolarHBondContact O-CG 3.34Å; H297-Q300 PolarHBondContact O-N 2.96Å
298S69.7Low74.3Confident110 Ų11079.7 Ų79.777%0.76942%0.422SS*.THydrogen-bonded Turntrans-61.9-11.9-17350.90000115.5
299H64.8Low74Confident87 Ų8779.3 Ų79.340%0.40342%0.42SS..THydrogen-bonded Turntrans-112.81.6-176.3-61-69.5000113.8H297 D301 S302 I305H297-H299 PolarHBondContact ND1-N 3.37Å; H297-H299 PolarHBondContact O-N 3.27Å; H299-D301 VanDerWaalsContact C-N 3.28Å; H299-D301 PolarHBondContact O-N 3.46Å; H299-S302 WeakPolarHBondContact O-CB 3.38Å; H299-S302 PolarHBondContact O-N 2.91Å; H299-S302 VanDerWaalsContact O-N 3.1Å; H299-S302 PolarHBondContact O-OG 3.48Å; H299-I305 HydrophobicContact CB-CD1 3.78Å; H299-I305 HydrophobicContact CB-CG1 4.36Å
300Q65.5Low74Confident56 Ų5673.7 Ų73.726%0.26240%0.399SS..THydrogen-bonded Turntrans-60.5-35.5-171.274.8-172.71200113.1H297H297-Q300 VanDerWaalsContact CE1-CA 3.49Å; H297-Q300 WeakPolarHBondContact CE1-CA 3.18Å; H297-Q300 PolarHBondContact CE1-N 3.08Å; H297-Q300 PolarHBondContact ND1-N 3.14Å; H297-Q300 WeakPolarHBondContact O-CG 3.34Å; H297-Q300 PolarHBondContact O-N 2.96Å
301D63.3Low74.6Confident117 Ų11767.6 Ų67.663%0.62637%0.367SS*.THydrogen-bonded Turntrans-99.92.2-178-59.8-54.6000112.4R289 H299 G303R289-D301 IonicContact NH2-OD1 3.18Å; H299-D301 VanDerWaalsContact C-N 3.28Å; H299-D301 PolarHBondContact O-N 3.46Å; D301-G303 VanDerWaalsContact C-N 3.29Å; D301-G303 PolarHBondContact O-N 3.05Å
302S60.2Low75.2Confident52 Ų5265.3 Ų65.336%0.36436%0.355SS..SBendtrans-75.8-18.3-178.1710000113.3H299 L304H299-S302 WeakPolarHBondContact O-CB 3.38Å; H299-S302 PolarHBondContact O-N 2.91Å; H299-S302 VanDerWaalsContact O-N 3.1Å; H299-S302 PolarHBondContact O-OG 3.48Å; S302-L304 PolarHBondContact O-N 3.29Å; S302-L304 WeakPolarHBondContact OG-CB 3.43Å; S302-L304 PolarHBondContact OG-N 3.42Å
303G61.9Low75.9Confident63 Ų6367.7 Ų67.765%0.64936%0.364SS*.SBendtrans64.80.9-170.100000114.4D301D301-G303 VanDerWaalsContact C-N 3.29Å; D301-G303 PolarHBondContact O-N 3.05Å
304L58.9Low76.5Confident137 Ų13765 Ų6572%0.71735%0.348SS*.SBendtrans-78.7-26.5-178.1-62.6170.8000112.6S302S302-L304 PolarHBondContact O-N 3.29Å; S302-L304 WeakPolarHBondContact OG-CB 3.43Å; S302-L304 PolarHBondContact OG-N 3.42Å
305I64.3Low77Confident63 Ų6360.7 Ų60.732%0.32334%0.338SS..SBendtrans-124.1126.9-176.9-55.7-180000108.6T74 H299 D307T74-I305 HydrophobicContact CG2-CG2 4.35Å; H299-I305 HydrophobicContact CB-CD1 3.78Å; H299-I305 HydrophobicContact CB-CG1 4.36Å; I305-D307 PolarHBondContact O-N 3.17Å
306T75Confident77.2Confident24 Ų2461.2 Ų61.215%0.14735%0.354CS..  trans-75.9115172.8-59.70000109.6T74 Y308 W311T74-T306 WeakPolarHBondContact CG2-O 3.45Å; T306-Y308 HydrophobicContact CG2-CD1 3.82Å; T306-Y308 HydrophobicContact CG2-CD2 4.34Å; T306-Y308 HydrophobicContact CG2-CE1 3.7Å; T306-Y308 HydrophobicContact CG2-CE2 4.24Å; T306-Y308 HydrophobicContact CG2-CG 4.15Å; T306-Y308 PolarHBondContact O-N 3.33Å; T306-W311 HydrophobicContact CG2-CH2 4.48Å; T306-W311 HydrophobicContact CG2-CZ2 3.66Å
307D81.7Confident77.6Confident39 Ų3958.5 Ų58.521%0.20934%0.341CS..  trans-85.993.3169.9-162.7-23000110.6I305 R309 H310 W311I305-D307 PolarHBondContact O-N 3.17Å; D307-R309 VanDerWaalsContact CG-CD 3.48Å; D307-R309 PolarHBondContact O-N 3.02Å; D307-R309 VanDerWaalsContact O-N 3.09Å; D307-R309 VanDerWaalsContact OD1-CB 3.3Å; D307-R309 WeakPolarHBondContact OD1-CB 3.22Å; D307-R309 VanDerWaalsContact OD1-CD 3.26Å; D307-R309 WeakPolarHBondContact OD1-CD 3.35Å; D307-R309 WeakPolarHBondContact OD1-CG 3.32Å; D307-R309 PolarHBondContact OD1-N 2.92Å; D307-R309 VanDerWaalsContact OD1-N 3.08Å; D307-R309 IonicContact OD1-NE 3.94Å; D307-R309 WeakPolarHBondContact OD2-CD 3.43Å; D307-R309 IonicContact OD2-CZ 3.99Å; D307-R309 IonicContact OD2-NE 2.78Å; D307-R309 PolarHBondContact OD2-NE 2.86Å; D307-R309 IonicContact OD2-NH1 3.3Å; D307-R309 PolarHBondContact OD2-NH1 3.3Å; D307-R309 IonicContact OD2-NH2 3.01Å; D307-H310 PolarHBondContact O-N 3.44Å; D307-W311 VanDerWaalsContact O-CD1 3.31Å
308Y86.8Confident78.4Confident1 Ų163.6 Ų63.60%0.00436%0.358CS..G310 helixtrans-64.1-10.3-178.8-77.3-59.3000114.2T74 E77 T78 G104 V105 T306 H310 W311 Q312 R317T74-Y308 HydrophobicContact CG2-CD2 3.89Å; T74-Y308 HydrophobicContact CG2-CE2 3.93Å; E77-Y308 HydrophobicContact CB-CE2 4.01Å; E77-Y308 HydrophobicContact CG-CE2 4.08Å; T78-Y308 PolarHBondContact OG1-OH 3.39Å; G104-Y308 VanDerWaalsContact O-CE1 3.25Å; G104-Y308 WeakPolarHBondContact O-CE1 3.37Å; G104-Y308 PolarHBondContact O-OH 3.35Å; V105-Y308 HydrophobicContact CB-CD1 3.84Å; V105-Y308 HydrophobicContact CB-CE1 3.7Å; V105-Y308 HydrophobicContact CG2-CD1 3.5Å; V105-Y308 HydrophobicContact CG2-CE1 3.86Å; V105-Y308 HydrophobicContact CG2-CG 4.28Å; T306-Y308 HydrophobicContact CG2-CD1 3.82Å; T306-Y308 HydrophobicContact CG2-CD2 4.34Å; T306-Y308 HydrophobicContact CG2-CE1 3.7Å; T306-Y308 HydrophobicContact CG2-CE2 4.24Å; T306-Y308 HydrophobicContact CG2-CG 4.15Å; T306-Y308 PolarHBondContact O-N 3.33Å; Y308-H310 PolarHBondContact O-N 3.07Å; Y308-W311 HydrophobicContact CD1-CB 4.12Å; Y308-W311 HydrophobicContact CD1-CD2 4.1Å; Y308-W311 HydrophobicContact CD1-CE3 4.44Å; Y308-W311 AromaticContact CD1-CG 3.98Å; Y308-W311 HydrophobicContact CD1-CG 3.98Å; Y308-W311 HydrophobicContact CE1-CD2 4.3Å; Y308-W311 HydrophobicContact CE1-CE3 4.28Å; Y308-W311 PolarHBondContact O-N 3.34Å; Y308-W311 VanDerWaalsContact O-N 3.07Å; Y308-Q312 WeakPolarHBondContact O-CG 3.48Å; Y308-R317 VanDerWaalsContact CB-CZ 3.44Å
309R85.3Confident79Confident28 Ų2862.3 Ų62.311%0.10634%0.338CS..G310 helixtrans-59.8-26.317283.7-166.5179.6-159.211.6112.2D291 L295 D307 W311 L315D291-R309 IonicContact OD1-CZ 2.79Å; D291-R309 IonicContact OD1-NH2 3.33Å; D291-R309 PolarHBondContact OD1-NH2 3.33Å; L295-R309 PolarHBondContact O-NH1 3.44Å; D307-R309 VanDerWaalsContact CG-CD 3.48Å; D307-R309 PolarHBondContact O-N 3.02Å; D307-R309 VanDerWaalsContact O-N 3.09Å; D307-R309 VanDerWaalsContact OD1-CB 3.3Å; D307-R309 WeakPolarHBondContact OD1-CB 3.22Å; D307-R309 VanDerWaalsContact OD1-CD 3.26Å; D307-R309 WeakPolarHBondContact OD1-CD 3.35Å; D307-R309 WeakPolarHBondContact OD1-CG 3.32Å; D307-R309 PolarHBondContact OD1-N 2.92Å; D307-R309 VanDerWaalsContact OD1-N 3.08Å; D307-R309 IonicContact OD1-NE 3.94Å; D307-R309 WeakPolarHBondContact OD2-CD 3.43Å; D307-R309 IonicContact OD2-CZ 3.99Å; D307-R309 IonicContact OD2-NE 2.78Å; D307-R309 PolarHBondContact OD2-NE 2.86Å; D307-R309 IonicContact OD2-NH1 3.3Å; D307-R309 PolarHBondContact OD2-NH1 3.3Å; D307-R309 IonicContact OD2-NH2 3.01Å; R309-W311 VanDerWaalsContact C-N 3.33Å; R309-L315 HydrophobicContact CB-CD1 4Å
310H90.1Very high80.3Confident16 Ų1659.2 Ų59.27%0.07432%0.323CS..G310 helixtrans-91.27.3179.6-56.5-46.6000113.7L284 T285 R289 L290 D291 D307 Y308L284-H310 CarbonylContact C-O 3.22Å; T285-H310 HydrophobicContact CG2-CB 3.82Å; R289-H310 WeakPolarHBondContact CA-ND1 3.32Å; L290-H310 PolarHBondContact O-CE1 3.45Å; D291-H310 IonicContact OD1-CE1 3.68Å; D291-H310 PolarHBondContact OD1-CE1 2.95Å; D291-H310 IonicContact OD1-NE2 3.67Å; D291-H310 PolarHBondContact OD1-NE2 3.31Å; D307-H310 PolarHBondContact O-N 3.44Å; Y308-H310 PolarHBondContact O-N 3.07Å
311W93.8Very high81Confident6 Ų656.6 Ų56.62%0.02331%0.311CS..G310 helixtrans-117.34.9-176.4-6656.5000112.2V105 Q107 V278 R281 L284 T306 D307 Y308 R309V105-W311 HydrophobicContact CB-CB 4.31Å; V105-W311 HydrophobicContact CB-CE3 4.07Å; V105-W311 HydrophobicContact CG1-CB 4.35Å; V105-W311 HydrophobicContact CG1-CE3 4.14Å; V105-W311 HydrophobicContact CG2-CB 4.08Å; Q107-W311 PolarHBondContact NE2-O 3.22Å; V278-W311 HydrophobicContact CG2-CE3 4.3Å; V278-W311 HydrophobicContact CG2-CZ3 3.83Å; R281-W311 HydrophobicContact CB-CH2 3.4Å; R281-W311 HydrophobicContact CB-CZ2 3.34Å; R281-W311 HydrophobicContact CB-CZ3 4.29Å; R281-W311 HydrophobicContact CG-CZ2 4.22Å; L284-W311 HydrophobicContact CD1-CB 4.11Å; L284-W311 HydrophobicContact CD1-CD2 4.05Å; L284-W311 HydrophobicContact CD1-CE3 3.68Å; L284-W311 HydrophobicContact CD1-CG 4.24Å; L284-W311 HydrophobicContact CD1-CZ3 4.48Å; T306-W311 HydrophobicContact CG2-CH2 4.48Å; T306-W311 HydrophobicContact CG2-CZ2 3.66Å; D307-W311 VanDerWaalsContact O-CD1 3.31Å; Y308-W311 HydrophobicContact CD1-CB 4.12Å; Y308-W311 HydrophobicContact CD1-CD2 4.1Å; Y308-W311 HydrophobicContact CD1-CE3 4.44Å; Y308-W311 AromaticContact CD1-CG 3.98Å; Y308-W311 HydrophobicContact CD1-CG 3.98Å; Y308-W311 HydrophobicContact CE1-CD2 4.3Å; Y308-W311 HydrophobicContact CE1-CE3 4.28Å; Y308-W311 PolarHBondContact O-N 3.34Å; Y308-W311 VanDerWaalsContact O-N 3.07Å; R309-W311 VanDerWaalsContact C-N 3.33Å
312Q94Very high81.7Confident3 Ų354.2 Ų54.21%0.01430%0.298CS..SBendtrans-151.1170.6-173.568.1179.738.200110.4Y308 P314 G316 R317Y308-Q312 WeakPolarHBondContact O-CG 3.48Å; Q312-P314 VanDerWaalsContact CG-O 3.31Å; Q312-P314 WeakPolarHBondContact CG-O 3.45Å; Q312-P314 PolarHBondContact NE2-O 2.97Å; Q312-G316 PolarHBondContact NE2-O 2.95Å; Q312-R317 VanDerWaalsContact OE1-CZ 3.23Å
313I95.5Very high82.8Confident90 Ų9053.8 Ų53.846%0.46229%0.289SS..SBendtrans-73.8-54.3179.7-61.3168.6000112.6L115 V116 F288L115-I313 HydrophobicContact CD2-CD1 3.62Å; L115-I313 HydrophobicContact CG-CD1 4.15Å; V116-I313 HydrophobicContact CG2-CD1 4.28Å; V116-I313 HydrophobicContact CG2-CG1 3.92Å; F288-I313 HydrophobicContact CE1-CG1 4.49Å
314P93.2Very high83.8Confident62 Ų6250.8 Ų50.840%0.40326%0.259SS..  trans-82.2155.7-176.732.3-35000112.4Q312Q312-P314 VanDerWaalsContact CG-O 3.31Å; Q312-P314 WeakPolarHBondContact CG-O 3.45Å; Q312-P314 PolarHBondContact NE2-O 2.97Å
315L85.4Confident84.4Confident99 Ų9947.8 Ų47.852%0.51824%0.238SC..SBendtrans-68.4-52.5169176.362.3000111.4L295 R309L295-L315 HydrophobicContact CD1-CD1 3.71Å; L295-L315 HydrophobicContact CD1-CD2 4.07Å; L295-L315 HydrophobicContact CD2-CD1 4.44Å; L295-L315 HydrophobicContact CD2-CD2 4.31Å; R309-L315 HydrophobicContact CB-CD1 4Å
316G82.9Confident84.6Confident57 Ų5749.6 Ų49.659%0.58824%0.243SC*.  trans-68.4137.8-176.900000112.5Q312Q312-G316 PolarHBondContact NE2-O 2.95Å
317R86.9Confident85Confident56 Ų5649.3 Ų49.321%0.21124%0.241CC..  trans-138.6149.2173.140.2169.437.1-123.2-3.2111.8E77 V105 Y308 Q312E77-R317 IonicContact OE1-CZ 2.9Å; E77-R317 IonicContact OE1-NH1 3Å; E77-R317 PolarHBondContact OE1-NH1 3.14Å; E77-R317 IonicContact OE1-NH2 2.87Å; E77-R317 PolarHBondContact OE1-NH2 3.38Å; E77-R317 IonicContact OE2-CZ 3.7Å; E77-R317 IonicContact OE2-NH1 3.95Å; E77-R317 PolarHBondContact OE2-NH1 2.9Å; V105-R317 VanDerWaalsContact CG2-NH2 3.3Å; Y308-R317 VanDerWaalsContact CB-CZ 3.44Å; Q312-R317 VanDerWaalsContact OE1-CZ 3.23Å
318R88.1Confident84.9Confident170 Ų17048 Ų4864%0.64223%0.234SC*.  trans-92.8162.5177.1-60.6-176.4-177.4122.81.1110.3D272 R320D272-R318 IonicContact OD1-NH1 3.64Å; R318-R320 HydrophobicContact CB-CG 4.27Å; R318-R320 PolarHBondContact O-N 3Å
319F81.4Confident83.8Confident82 Ų8255.6 Ų55.636%0.3626%0.263SS..  trans-76.463.4174.6-162.52.2000112.3C73 L76 S321 L322C73-F319 HydrophobicContact CB-CD1 4.17Å; C73-F319 HydrophobicContact CB-CE1 4.45Å; C73-F319 HydrophobicContact CB-CG 4.42Å; L76-F319 HydrophobicContact CB-CE1 3.97Å; L76-F319 HydrophobicContact CB-CZ 4.32Å; L76-F319 HydrophobicContact CD2-CE1 3.54Å; L76-F319 HydrophobicContact CD2-CZ 3.65Å; L76-F319 HydrophobicContact CG-CE1 4.28Å; F319-S321 VanDerWaalsContact C-N 3.34Å; F319-S321 WeakPolarHBondContact CD1-OG 3.34Å; F319-S321 VanDerWaalsContact CE1-OG 3.25Å; F319-S321 WeakPolarHBondContact CE1-OG 3.5Å; F319-S321 PolarHBondContact O-N 3.12Å; F319-L322 HydrophobicContact CD1-CB 4.11Å; F319-L322 HydrophobicContact CD2-CB 4.33Å; F319-L322 HydrophobicContact CD2-CD2 4.31Å; F319-L322 HydrophobicContact CE1-CB 4.22Å; F319-L322 HydrophobicContact CE2-CB 4.43Å; F319-L322 HydrophobicContact CE2-CD2 4.4Å; F319-L322 HydrophobicContact CG-CB 4.18Å; F319-L322 HydrophobicContact CZ-CB 4.38Å; F319-L322 PolarHBondContact O-N 3.2Å
320R91.1Very high83.2Confident23 Ų2361.1 Ų61.19%0.08729%0.291CS..Hα-helixtrans-68.2-30.8-173.5-63-176.2-178.5111.6-3113.3I106 D272 R318 L322 K323I106-R320 HydrophobicContact CB-CB 4.36Å; I106-R320 HydrophobicContact CD1-CB 4.14Å; I106-R320 HydrophobicContact CG2-CB 3.88Å; I106-R320 HydrophobicContact CG2-CG 4.37Å; I106-R320 PolarHBondContact O-NH1 3.32Å; I106-R320 VanDerWaalsContact O-NH1 3.08Å; D272-R320 IonicContact OD1-NE 2.59Å; D272-R320 IonicContact OD2-CZ 2.66Å; D272-R320 IonicContact OD2-NE 2.74Å; D272-R320 PolarHBondContact OD2-NE 2.87Å; D272-R320 IonicContact OD2-NH2 2.87Å; D272-R320 PolarHBondContact OD2-NH2 3.26Å; R318-R320 HydrophobicContact CB-CG 4.27Å; R318-R320 PolarHBondContact O-N 3Å; R320-L322 PolarHBondContact O-N 3.22Å; R320-K323 WeakPolarHBondContact O-CG 3.3Å
321S82.2Confident82.7Confident0 Ų064.9 Ų64.90%031%0.305CS..Hα-helixtrans-65.1-23.1-178.754.60000113.3E77 F319 M324 W325E77-S321 VanDerWaalsContact CA-CB 3.45Å; E77-S321 PolarHBondContact N-OG 3.05Å; F319-S321 VanDerWaalsContact C-N 3.34Å; F319-S321 WeakPolarHBondContact CD1-OG 3.34Å; F319-S321 VanDerWaalsContact CE1-OG 3.25Å; F319-S321 WeakPolarHBondContact CE1-OG 3.5Å; F319-S321 PolarHBondContact O-N 3.12Å; S321-M324 PolarHBondContact O-N 3.02Å; S321-W325 WeakPolarHBondContact O-CB 3.41Å; S321-W325 PolarHBondContact O-N 2.96Å
322L76.1Confident82Confident68 Ų6865.9 Ų65.936%0.35632%0.318SS..Hα-helixtrans-61.6-50.4179.7-173.660.9000112.1L76 F319 R320 M324 W325 F326L76-L322 HydrophobicContact CD2-CD1 4.23Å; F319-L322 HydrophobicContact CD1-CB 4.11Å; F319-L322 HydrophobicContact CD2-CB 4.33Å; F319-L322 HydrophobicContact CD2-CD2 4.31Å; F319-L322 HydrophobicContact CE1-CB 4.22Å; F319-L322 HydrophobicContact CE2-CB 4.43Å; F319-L322 HydrophobicContact CE2-CD2 4.4Å; F319-L322 HydrophobicContact CG-CB 4.18Å; F319-L322 HydrophobicContact CZ-CB 4.38Å; F319-L322 PolarHBondContact O-N 3.2Å; R320-L322 PolarHBondContact O-N 3.22Å; L322-M324 VanDerWaalsContact C-N 3.27Å; L322-M324 PolarHBondContact O-N 3.36Å; L322-W325 HydrophobicContact CD1-CE3 4.48Å; L322-W325 WeakPolarHBondContact O-CB 3.29Å; L322-W325 PolarHBondContact O-N 2.93Å; L322-F326 HydrophobicContact CD1-CD2 4.12Å; L322-F326 HydrophobicContact CD1-CE2 3.78Å; L322-F326 HydrophobicContact CG-CD2 4.19Å; L322-F326 HydrophobicContact CG-CE2 4.04Å; L322-F326 WeakPolarHBondContact O-CD2 3.49Å; L322-F326 PolarHBondContact O-N 2.98Å
323K83.4Confident81.5Confident43 Ų4368.7 Ų68.719%0.18734%0.335CS..Hα-helixtrans-63.2-34.5178.153.6174.8174-173.40112.6V269 N270 D272 R320 F326 V327V269-K323 HydrophobicContact CG1-CB 4.45Å; V269-K323 HydrophobicContact CG1-CD 3.68Å; V269-K323 HydrophobicContact CG1-CG 3.85Å; N270-K323 PolarHBondContact O-NZ 2.83Å; N270-K323 VanDerWaalsContact OD1-CD 3.27Å; N270-K323 WeakPolarHBondContact OD1-CD 3.42Å; D272-K323 WeakPolarHBondContact O-CE 3.47Å; D272-K323 PolarHBondContact O-NZ 2.6Å; D272-K323 IonicContact OD1-NZ 3.26Å; R320-K323 WeakPolarHBondContact O-CG 3.3Å; K323-F326 PolarHBondContact O-N 3.4Å; K323-V327 WeakPolarHBondContact O-CG2 3.3Å; K323-V327 PolarHBondContact O-N 3.39Å; K323-V327 VanDerWaalsContact O-N 3.07Å
324M83.3Confident81.3Confident0 Ų073 Ų730%035%0.35CS..Hα-helixtrans-65.4-42.8175.3-172.1155.677.300111.2M80 M81 L84 I106 P263 S321 L322 F326 V327 F328M80-M324 HydrophobicContact CB-CE 3.37Å; M80-M324 HydrophobicContact CG-CE 4.44Å; M81-M324 HydrophobicContact SD-CE 4.01Å; L84-M324 HydrophobicContact CD2-CE 4.45Å; L84-M324 HydrophobicContact CD2-SD 3.92Å; I106-M324 HydrophobicContact CD1-CE 3.7Å; I106-M324 HydrophobicContact CG1-CE 4.29Å; P263-M324 HydrophobicContact CG-SD 4.33Å; S321-M324 PolarHBondContact O-N 3.02Å; L322-M324 VanDerWaalsContact C-N 3.27Å; L322-M324 PolarHBondContact O-N 3.36Å; M324-F326 PolarHBondContact O-N 3.36Å; M324-V327 PolarHBondContact O-N 3.24Å; M324-F328 HydrophobicContact CE-CE2 4.42Å; M324-F328 HydrophobicContact CG-CD1 4.31Å; M324-F328 HydrophobicContact CG-CD2 4.02Å; M324-F328 HydrophobicContact CG-CE1 3.75Å; M324-F328 HydrophobicContact CG-CE2 3.43Å; M324-F328 VanDerWaalsContact CG-CE2 3.43Å; M324-F328 HydrophobicContact CG-CG 4.43Å; M324-F328 HydrophobicContact CG-CZ 3.27Å; M324-F328 VanDerWaalsContact O-CG 3.3Å; M324-F328 WeakPolarHBondContact O-CG 3.5Å; M324-F328 PolarHBondContact O-N 3.5Å; M324-F328 HydrophobicContact SD-CE1 4.48Å; M324-F328 HydrophobicContact SD-CE2 3.98Å; M324-F328 HydrophobicContact SD-CZ 3.64Å
325W71.2Confident81.2Confident74 Ų7471.4 Ų71.428%0.2835%0.346SS..Hα-helixtrans-58.5-45.8174-17986.3000112.5L76 M80 S321 L322 F328 R329L76-W325 HydrophobicContact CD1-CB 4.41Å; L76-W325 HydrophobicContact CD1-CG 4.19Å; L76-W325 HydrophobicContact CD2-CB 4.29Å; M80-W325 HydrophobicContact CG-CB 4.2Å; M80-W325 VanDerWaalsContact SD-CA 3.52Å; M80-W325 HydrophobicContact SD-CB 3.59Å; M80-W325 VanDerWaalsContact SD-CB 3.59Å; M80-W325 HydrophobicContact SD-CG 4.04Å; S321-W325 WeakPolarHBondContact O-CB 3.41Å; S321-W325 PolarHBondContact O-N 2.96Å; L322-W325 HydrophobicContact CD1-CE3 4.48Å; L322-W325 WeakPolarHBondContact O-CB 3.29Å; L322-W325 PolarHBondContact O-N 2.93Å; W325-F328 PolarHBondContact O-N 3.38Å; W325-R329 HydrophobicContact CD2-CG 4.49Å; W325-R329 VanDerWaalsContact CH2-NH1 3.3Å; W325-R329 WeakPolarHBondContact O-CB 3.47Å; W325-R329 WeakPolarHBondContact O-CG 3.42Å; W325-R329 PolarHBondContact O-N 3.3Å
326F68.2Low81.6Confident101 Ų10166.7 Ų66.744%0.44332%0.321SS..Hα-helixtrans-58.7-50.6175.2-88.9-95.7000111.5L322 K323 M324 F328 R329 M330L322-F326 HydrophobicContact CD1-CD2 4.12Å; L322-F326 HydrophobicContact CD1-CE2 3.78Å; L322-F326 HydrophobicContact CG-CD2 4.19Å; L322-F326 HydrophobicContact CG-CE2 4.04Å; L322-F326 WeakPolarHBondContact O-CD2 3.49Å; L322-F326 PolarHBondContact O-N 2.98Å; K323-F326 PolarHBondContact O-N 3.4Å; M324-F326 PolarHBondContact O-N 3.36Å; F326-F328 PolarHBondContact O-N 3.01Å; F326-R329 PolarHBondContact O-N 3.44Å; F326-M330 HydrophobicContact CD1-SD 4.2Å; F326-M330 VanDerWaalsContact O-CB 3.25Å; F326-M330 WeakPolarHBondContact O-CB 3.38Å; F326-M330 WeakPolarHBondContact O-CG 3.46Å; F326-M330 PolarHBondContact O-N 3.49Å
327V84.2Confident82.3Confident17 Ų1765.4 Ų65.410%0.10330%0.3CS..Hα-helixtrans-58.3-49.5179.4170.20000111.1L268 V269 K323 M324 R329 M330 Y331 L336L268-V327 HydrophobicContact CB-CG1 4.28Å; V269-V327 HydrophobicContact CG2-CB 4.14Å; V269-V327 HydrophobicContact CG2-CG1 4.15Å; V269-V327 HydrophobicContact CG2-CG2 4.05Å; K323-V327 WeakPolarHBondContact O-CG2 3.3Å; K323-V327 PolarHBondContact O-N 3.39Å; K323-V327 VanDerWaalsContact O-N 3.07Å; M324-V327 PolarHBondContact O-N 3.24Å; V327-R329 VanDerWaalsContact C-N 3.31Å; V327-R329 PolarHBondContact O-N 3.4Å; V327-M330 PolarHBondContact O-N 2.91Å; V327-Y331 HydrophobicContact CB-CD2 4.48Å; V327-Y331 HydrophobicContact CG1-CD2 3.87Å; V327-Y331 HydrophobicContact CG1-CE2 4.32Å; V327-Y331 WeakPolarHBondContact O-CD2 3.45Å; V327-Y331 PolarHBondContact O-N 3.26Å; V327-L336 HydrophobicContact CG1-CD2 4.06Å
328F80.2Confident82.9Confident13 Ų1365.3 Ų65.36%0.05731%0.311CS..Hα-helixtrans-62.7-38.8-177.8-67.8-4.4000112.5M80 W83 L84 M87 L267 M324 W325 F326 G332 L336M80-F328 HydrophobicContact SD-CD2 4.12Å; W83-F328 HydrophobicContact CE3-CD2 4.44Å; L84-F328 HydrophobicContact CB-CE2 4.03Å; L84-F328 HydrophobicContact CB-CZ 4.09Å; L84-F328 HydrophobicContact CD1-CE1 4.38Å; L84-F328 HydrophobicContact CD1-CE2 4.31Å; L84-F328 HydrophobicContact CD1-CZ 3.62Å; L84-F328 HydrophobicContact CD2-CZ 4.12Å; L84-F328 HydrophobicContact CG-CZ 4.16Å; M87-F328 HydrophobicContact SD-CE2 4.47Å; L267-F328 HydrophobicContact CD2-CE1 3.89Å; L267-F328 HydrophobicContact CD2-CZ 4.34Å; M324-F328 HydrophobicContact CE-CE2 4.42Å; M324-F328 HydrophobicContact CG-CD1 4.31Å; M324-F328 HydrophobicContact CG-CD2 4.02Å; M324-F328 HydrophobicContact CG-CE1 3.75Å; M324-F328 HydrophobicContact CG-CE2 3.43Å; M324-F328 VanDerWaalsContact CG-CE2 3.43Å; M324-F328 HydrophobicContact CG-CG 4.43Å; M324-F328 HydrophobicContact CG-CZ 3.27Å; M324-F328 VanDerWaalsContact O-CG 3.3Å; M324-F328 WeakPolarHBondContact O-CG 3.5Å; M324-F328 PolarHBondContact O-N 3.5Å; M324-F328 HydrophobicContact SD-CE1 4.48Å; M324-F328 HydrophobicContact SD-CE2 3.98Å; M324-F328 HydrophobicContact SD-CZ 3.64Å; W325-F328 PolarHBondContact O-N 3.38Å; F326-F328 PolarHBondContact O-N 3.01Å; F328-G332 WeakPolarHBondContact O-CA 3.01Å; F328-G332 PolarHBondContact O-N 2.87Å; F328-L336 HydrophobicContact CD1-CD1 3.92Å; F328-L336 HydrophobicContact CE1-CD1 4.34Å
329R64.3Low83.4Confident160 Ų16058.5 Ų58.560%0.60429%0.285SS*.Hα-helixtrans-77.8-35179.7-67.8-164.872.2-1633113.6W83 W325 F326 V327W83-R329 HydrophobicContact CZ3-CG 4.47Å; W325-R329 HydrophobicContact CD2-CG 4.49Å; W325-R329 VanDerWaalsContact CH2-NH1 3.3Å; W325-R329 WeakPolarHBondContact O-CB 3.47Å; W325-R329 WeakPolarHBondContact O-CG 3.42Å; W325-R329 PolarHBondContact O-N 3.3Å; F326-R329 PolarHBondContact O-N 3.44Å; V327-R329 VanDerWaalsContact C-N 3.31Å; V327-R329 PolarHBondContact O-N 3.4Å
330M72.3Confident84.2Confident144 Ų14454.6 Ų54.671%0.70927%0.268SS*.Hα-helixtrans-74.8-43.2-179-72.2179.371.900112.3F326 V327F326-M330 HydrophobicContact CD1-SD 4.2Å; F326-M330 VanDerWaalsContact O-CB 3.25Å; F326-M330 WeakPolarHBondContact O-CB 3.38Å; F326-M330 WeakPolarHBondContact O-CG 3.46Å; F326-M330 PolarHBondContact O-N 3.49Å; V327-M330 PolarHBondContact O-N 2.91Å
331Y79.5Confident84.5Confident94 Ų9457.9 Ų57.937%0.36928%0.281SS..Hα-helixtrans-88.4-33.1-179.1-69.8-80000112.6L268 V327 G335 L336L268-Y331 HydrophobicContact CB-CE2 4.39Å; L268-Y331 HydrophobicContact CD1-CD1 4.14Å; L268-Y331 HydrophobicContact CD1-CD2 4.32Å; L268-Y331 HydrophobicContact CD1-CE1 3.79Å; L268-Y331 HydrophobicContact CD1-CE2 3.97Å; L268-Y331 HydrophobicContact CD1-CG 4.4Å; V327-Y331 HydrophobicContact CB-CD2 4.48Å; V327-Y331 HydrophobicContact CG1-CD2 3.87Å; V327-Y331 HydrophobicContact CG1-CE2 4.32Å; V327-Y331 WeakPolarHBondContact O-CD2 3.45Å; V327-Y331 PolarHBondContact O-N 3.26Å; Y331-G335 WeakPolarHBondContact O-CA 3.17Å; Y331-G335 PolarHBondContact O-N 3.37Å; Y331-L336 HydrophobicContact CD2-CD2 4.34Å; Y331-L336 HydrophobicContact CG-CD2 4.15Å
332G77.7Confident85.3Confident27 Ų2760.6 Ų60.628%0.27829%0.292SS..Hα-helixtrans65.1163.9-166.300000112.7F328 K334 G335 L336F328-G332 WeakPolarHBondContact O-CA 3.01Å; F328-G332 PolarHBondContact O-N 2.87Å; G332-K334 VanDerWaalsContact C-N 3.3Å; G332-K334 PolarHBondContact O-N 3.36Å; G332-G335 PolarHBondContact O-N 3.14Å; G332-L336 WeakPolarHBondContact O-CG 3.33Å; G332-L336 PolarHBondContact O-N 2.89Å; G332-L336 VanDerWaalsContact O-N 3.1Å
333V85.4Confident86.4Confident63 Ų6357.3 Ų57.338%0.38228%0.275SS..Hα-helixtrans-58.5-42.7179.9-179.90000111.4M87 G335 L336 Q337M87-V333 HydrophobicContact CE-CG1 4.39Å; M87-V333 HydrophobicContact CE-CG2 4.05Å; M87-V333 HydrophobicContact CG-CG2 3.94Å; M87-V333 HydrophobicContact SD-CG2 4Å; V333-G335 PolarHBondContact O-N 3.16Å; V333-L336 PolarHBondContact O-N 3.33Å; V333-Q337 HydrophobicContact CG1-CG 4.25Å; V333-Q337 WeakPolarHBondContact O-CB 3.33Å; V333-Q337 VanDerWaalsContact O-CG 3.3Å; V333-Q337 WeakPolarHBondContact O-CG 3.24Å; V333-Q337 PolarHBondContact O-N 2.83Å
334K89.6Confident87.1Confident179 Ų17955.7 Ų55.778%0.77827%0.269SS*.Hα-helixtrans-62.1-40.7179.3-67.2-174.7179.8-178.50112.5G332 Q337 A338G332-K334 VanDerWaalsContact C-N 3.3Å; G332-K334 PolarHBondContact O-N 3.36Å; K334-Q337 PolarHBondContact O-N 3.2Å; K334-A338 WeakPolarHBondContact O-CB 3.41Å; K334-A338 PolarHBondContact O-N 3.14Å
335G91.1Very high87.9Confident30 Ų3062.2 Ų62.231%0.30930%0.299SS..Hα-helixtrans-67.1-42.3177.700000112.2Y331 G332 V333 A338 Y339Y331-G335 WeakPolarHBondContact O-CA 3.17Å; Y331-G335 PolarHBondContact O-N 3.37Å; G332-G335 PolarHBondContact O-N 3.14Å; V333-G335 PolarHBondContact O-N 3.16Å; G335-A338 PolarHBondContact O-N 3.18Å; G335-Y339 WeakPolarHBondContact O-CB 3.19Å; G335-Y339 PolarHBondContact O-N 3.36Å
336L95.3Very high89.2Confident0 Ų059 Ų590%029%0.288CS..Hα-helixtrans-64.9-41.3175.2-65.2171.7000112.1M87 I242 L267 L268 V327 F328 Y331 G332 V333 Y339 I340M87-L336 HydrophobicContact CE-CD1 3.97Å; I242-L336 HydrophobicContact CD1-CB 3.62Å; L267-L336 HydrophobicContact CD1-CB 4.36Å; L267-L336 HydrophobicContact CD1-CD1 4.4Å; L267-L336 HydrophobicContact CD1-CD2 4.39Å; L268-L336 HydrophobicContact CD1-CD2 4.15Å; V327-L336 HydrophobicContact CG1-CD2 4.06Å; F328-L336 HydrophobicContact CD1-CD1 3.92Å; F328-L336 HydrophobicContact CE1-CD1 4.34Å; Y331-L336 HydrophobicContact CD2-CD2 4.34Å; Y331-L336 HydrophobicContact CG-CD2 4.15Å; G332-L336 WeakPolarHBondContact O-CG 3.33Å; G332-L336 PolarHBondContact O-N 2.89Å; G332-L336 VanDerWaalsContact O-N 3.1Å; V333-L336 PolarHBondContact O-N 3.33Å; L336-Y339 WeakPolarHBondContact O-CB 3.4Å; L336-Y339 PolarHBondContact O-N 3.41Å; L336-I340 PolarHBondContact O-N 2.94Å; L336-I340 VanDerWaalsContact O-N 3.1Å
337Q97.8Very high90.7Very high30 Ų3054.2 Ų54.214%0.1427%0.267CS..Hα-helixtrans-63.1-44.5174.4-73.8174.1-14.900111.8I242 V333 K334 Y339 I340 R341I242-Q337 HydrophobicContact CD1-CG 4.13Å; I242-Q337 HydrophobicContact CG1-CG 3.92Å; I242-Q337 PolarHBondContact O-NE2 3.42Å; V333-Q337 HydrophobicContact CG1-CG 4.25Å; V333-Q337 WeakPolarHBondContact O-CB 3.33Å; V333-Q337 VanDerWaalsContact O-CG 3.3Å; V333-Q337 WeakPolarHBondContact O-CG 3.24Å; V333-Q337 PolarHBondContact O-N 2.83Å; K334-Q337 PolarHBondContact O-N 3.2Å; Q337-Y339 VanDerWaalsContact C-N 3.29Å; Q337-Y339 PolarHBondContact O-N 2.86Å; Q337-I340 PolarHBondContact O-N 2.94Å; Q337-R341 WeakPolarHBondContact O-CB 3.45Å; Q337-R341 VanDerWaalsContact O-CG 3.27Å; Q337-R341 WeakPolarHBondContact O-CG 3.34Å; Q337-R341 PolarHBondContact O-N 3.31Å
338A97.9Very high91.4Very high54 Ų5457 Ų5745%0.44628%0.278SS..Hα-helixtrans-61.3-38.9176.700000111.9K334 G335 R341 K342K334-A338 WeakPolarHBondContact O-CB 3.41Å; K334-A338 PolarHBondContact O-N 3.14Å; G335-A338 PolarHBondContact O-N 3.18Å; A338-R341 PolarHBondContact O-N 2.9Å; A338-K342 WeakPolarHBondContact O-CB 3.3Å; A338-K342 PolarHBondContact O-N 3.16Å
339Y98.3Very high92.3Very high26 Ų2658.3 Ų58.310%0.10229%0.285CS..Hα-helixtrans-59.1-50.2174.1168.8-101.8000112.5W266 L268 G335 L336 Q337 K342 H343 R415W266-Y339 AromaticContact CD1-CE1 3.83Å; L268-Y339 HydrophobicContact CD1-CD1 4.18Å; L268-Y339 HydrophobicContact CD1-CD2 4.18Å; L268-Y339 HydrophobicContact CD1-CE1 4.46Å; L268-Y339 HydrophobicContact CD1-CE2 4.45Å; L268-Y339 HydrophobicContact CD1-CG 4.03Å; L268-Y339 HydrophobicContact CD2-CD1 4.29Å; L268-Y339 HydrophobicContact CD2-CD2 4.2Å; L268-Y339 HydrophobicContact CD2-CE1 3.75Å; L268-Y339 HydrophobicContact CD2-CE2 3.64Å; L268-Y339 HydrophobicContact CD2-CG 4.49Å; L268-Y339 HydrophobicContact CG-CD1 4.05Å; L268-Y339 HydrophobicContact CG-CD2 4.5Å; L268-Y339 HydrophobicContact CG-CE1 3.89Å; L268-Y339 HydrophobicContact CG-CE2 4.35Å; L268-Y339 HydrophobicContact CG-CG 4.35Å; G335-Y339 WeakPolarHBondContact O-CB 3.19Å; G335-Y339 PolarHBondContact O-N 3.36Å; L336-Y339 WeakPolarHBondContact O-CB 3.4Å; L336-Y339 PolarHBondContact O-N 3.41Å; Q337-Y339 VanDerWaalsContact C-N 3.29Å; Q337-Y339 PolarHBondContact O-N 2.86Å; Y339-K342 PolarHBondContact O-N 3.06Å; Y339-H343 AromaticContact CD2-NE2 3.75Å; Y339-H343 AromaticContact CE2-CD2 3.72Å; Y339-H343 AromaticContact CE2-CE1 3.53Å; Y339-H343 AromaticContact CE2-NE2 3.01Å; Y339-H343 WeakPolarHBondContact CE2-NE2 3.48Å; Y339-H343 AromaticContact CZ-CE1 3.45Å; Y339-H343 VanDerWaalsContact CZ-CE1 3.45Å; Y339-H343 AromaticContact CZ-NE2 3.43Å; Y339-H343 PolarHBondContact O-CD2 3.47Å; Y339-H343 VanDerWaalsContact O-CD2 3.28Å; Y339-H343 PolarHBondContact O-N 3.03Å; Y339-H343 PolarHBondContact OH-CE1 3.15Å; Y339-R415 HydrophobicContact CE2-CB 4.38Å; Y339-R415 HydrophobicContact CE2-CG 4.2Å
340I98.7Very high93.9Very high0 Ų050.7 Ų50.70%026%0.256CS..Hα-helixtrans-60.1-49.7176.2-67.7-56.3000110.9A240 F246 W266 L336 Q337 K342 H343 V344A240-I340 HydrophobicContact CB-CG2 4.11Å; F246-I340 HydrophobicContact CD2-CG2 4.29Å; F246-I340 HydrophobicContact CE2-CG2 4.03Å; W266-I340 HydrophobicContact CD2-CD1 3.52Å; W266-I340 HydrophobicContact CE3-CD1 3.89Å; W266-I340 HydrophobicContact CG-CD1 3.82Å; W266-I340 HydrophobicContact CH2-CG2 4.24Å; W266-I340 HydrophobicContact CZ2-CD1 4.21Å; W266-I340 HydrophobicContact CZ3-CD1 4.36Å; W266-I340 WeakPolarHBondContact O-CD1 3.3Å; L336-I340 PolarHBondContact O-N 2.94Å; L336-I340 VanDerWaalsContact O-N 3.1Å; Q337-I340 PolarHBondContact O-N 2.94Å; I340-K342 VanDerWaalsContact C-N 3.28Å; I340-K342 PolarHBondContact O-N 2.82Å; I340-H343 PolarHBondContact O-N 3.13Å; I340-V344 HydrophobicContact CG2-CG2 4.38Å; I340-V344 WeakPolarHBondContact O-CG2 3.26Å; I340-V344 PolarHBondContact O-N 3.23Å
341R98.8Very high95.2Very high92 Ų9245.1 Ų45.135%0.34723%0.228SC..Hα-helixtrans-56.3-42.5-179.8-73.9167.4177.2138.47.8111.9E245 Q337 A338 H343 V344 Q345E245-R341 WeakPolarHBondContact OE1-CG 3.31Å; E245-R341 IonicContact OE1-CZ 2.88Å; E245-R341 IonicContact OE1-NE 2.59Å; E245-R341 PolarHBondContact OE1-NE 3.43Å; E245-R341 IonicContact OE1-NH2 3.48Å; E245-R341 PolarHBondContact OE1-NH2 3.11Å; E245-R341 VanDerWaalsContact OE1-NH2 3.13Å; E245-R341 IonicContact OE2-CZ 2.78Å; E245-R341 IonicContact OE2-NE 2.57Å; E245-R341 IonicContact OE2-NH2 2.83Å; E245-R341 PolarHBondContact OE2-NH2 2.79Å; Q337-R341 WeakPolarHBondContact O-CB 3.45Å; Q337-R341 VanDerWaalsContact O-CG 3.27Å; Q337-R341 WeakPolarHBondContact O-CG 3.34Å; Q337-R341 PolarHBondContact O-N 3.31Å; A338-R341 PolarHBondContact O-N 2.9Å; R341-H343 PolarHBondContact O-N 2.98Å; R341-V344 PolarHBondContact O-N 3.2Å; R341-Q345 WeakPolarHBondContact O-CB 3.07Å; R341-Q345 PolarHBondContact O-N 3.28Å
342K98.8Very high96.1Very high57 Ų5743.4 Ų43.425%0.24823%0.23CC..Hα-helixtrans-59.5-45.8175.6-174.7-172.5-175.6-169.90111.6A338 Y339 I340 V344 Q345 L346 V417 E418A338-K342 WeakPolarHBondContact O-CB 3.3Å; A338-K342 PolarHBondContact O-N 3.16Å; Y339-K342 PolarHBondContact O-N 3.06Å; I340-K342 VanDerWaalsContact C-N 3.28Å; I340-K342 PolarHBondContact O-N 2.82Å; K342-V344 VanDerWaalsContact C-N 3.34Å; K342-V344 PolarHBondContact O-N 2.87Å; K342-Q345 PolarHBondContact O-N 3.1Å; K342-L346 HydrophobicContact CG-CD1 4.16Å; K342-L346 VanDerWaalsContact O-CG 3.28Å; K342-L346 WeakPolarHBondContact O-CG 3.25Å; K342-L346 PolarHBondContact O-N 2.99Å; K342-V417 VanDerWaalsContact CE-O 3.28Å; K342-V417 WeakPolarHBondContact CE-O 3.49Å; K342-V417 PolarHBondContact NZ-O 3.25Å; K342-E418 WeakPolarHBondContact CE-OE2 3.41Å; K342-E418 IonicContact NZ-OE1 2.85Å; K342-E418 PolarHBondContact NZ-OE1 3.17Å; K342-E418 IonicContact NZ-OE2 3.81Å; K342-E418 PolarHBondContact NZ-OE2 3.5Å
343H98.8Very high97.1Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-65.5-38.2179.8-77.7-136.4000112.2W266 Y339 I340 R341 L346 S347 I412 C413 S414W266-H343 AromaticContact CD1-ND1 3.93Å; W266-H343 HydrophobicContact CZ2-CB 3.51Å; W266-H343 AromaticContact NE1-CE1 3.93Å; W266-H343 AromaticContact NE1-CG 3.52Å; W266-H343 AromaticContact NE1-ND1 3.07Å; W266-H343 PolarHBondContact NE1-ND1 2.97Å; Y339-H343 AromaticContact CD2-NE2 3.75Å; Y339-H343 AromaticContact CE2-CD2 3.72Å; Y339-H343 AromaticContact CE2-CE1 3.53Å; Y339-H343 AromaticContact CE2-NE2 3.01Å; Y339-H343 WeakPolarHBondContact CE2-NE2 3.48Å; Y339-H343 AromaticContact CZ-CE1 3.45Å; Y339-H343 VanDerWaalsContact CZ-CE1 3.45Å; Y339-H343 AromaticContact CZ-NE2 3.43Å; Y339-H343 PolarHBondContact O-CD2 3.47Å; Y339-H343 VanDerWaalsContact O-CD2 3.28Å; Y339-H343 PolarHBondContact O-N 3.03Å; Y339-H343 PolarHBondContact OH-CE1 3.15Å; I340-H343 PolarHBondContact O-N 3.13Å; R341-H343 PolarHBondContact O-N 2.98Å; H343-L346 PolarHBondContact O-N 2.79Å; H343-S347 PolarHBondContact O-N 2.91Å; H343-S347 PolarHBondContact O-OG 3.16Å; H343-I412 HydrophobicContact CB-CB 4.3Å; H343-I412 HydrophobicContact CB-CG2 3.92Å; H343-I412 PolarHBondContact ND1-O 3.3Å; H343-C413 PolarHBondContact CE1-O 3.18Å; H343-S414 PolarHBondContact CE1-O 3.26Å; H343-S414 PolarHBondContact NE2-O 2.91Å
344V98.9Very high97.7Very high9 Ų940 Ų406%0.05520%0.203CC..Hα-helixtrans-67.9-39.3174.6178.50000111.4F246 W266 I340 R341 K342 L346 S347 H348 L368F246-V344 HydrophobicContact CE1-CG1 4.26Å; F246-V344 HydrophobicContact CE2-CG2 4.12Å; F246-V344 HydrophobicContact CZ-CB 4.12Å; F246-V344 HydrophobicContact CZ-CG1 3.87Å; F246-V344 HydrophobicContact CZ-CG2 3.87Å; W266-V344 HydrophobicContact CH2-CG2 3.77Å; W266-V344 HydrophobicContact CZ2-CG2 4.26Å; I340-V344 HydrophobicContact CG2-CG2 4.38Å; I340-V344 WeakPolarHBondContact O-CG2 3.26Å; I340-V344 PolarHBondContact O-N 3.23Å; R341-V344 PolarHBondContact O-N 3.2Å; K342-V344 VanDerWaalsContact C-N 3.34Å; K342-V344 PolarHBondContact O-N 2.87Å; V344-L346 VanDerWaalsContact C-N 3.32Å; V344-L346 PolarHBondContact O-N 2.82Å; V344-S347 WeakPolarHBondContact CA-OG 3.18Å; V344-S347 PolarHBondContact O-N 3.12Å; V344-S347 PolarHBondContact O-OG 2.98Å; V344-H348 PolarHBondContact O-CD2 2.66Å; V344-H348 PolarHBondContact O-N 2.85Å; V344-H348 VanDerWaalsContact O-N 3.12Å; V344-L368 HydrophobicContact CG2-CD2 4.11Å
345Q98.8Very high98.2Very high136 Ų13638.6 Ų38.664%0.63619%0.193SC*.Hα-helixtrans-59.7-44.2173.2-179.3-175.9-7.800111.5R341 K342 H348 E349R341-Q345 WeakPolarHBondContact O-CB 3.07Å; R341-Q345 PolarHBondContact O-N 3.28Å; K342-Q345 PolarHBondContact O-N 3.1Å; Q345-H348 PolarHBondContact O-N 3.13Å; Q345-E349 PolarHBondContact O-N 3.07Å
346L98.9Very high98.5Very high7 Ų743.8 Ų43.84%0.03721%0.209CC..Hα-helixtrans-68.8-31.8-180-71173.3000113.1K342 H343 V344 E349 F350 I412 V417 V422K342-L346 HydrophobicContact CG-CD1 4.16Å; K342-L346 VanDerWaalsContact O-CG 3.28Å; K342-L346 WeakPolarHBondContact O-CG 3.25Å; K342-L346 PolarHBondContact O-N 2.99Å; H343-L346 PolarHBondContact O-N 2.79Å; V344-L346 VanDerWaalsContact C-N 3.32Å; V344-L346 PolarHBondContact O-N 2.82Å; L346-E349 PolarHBondContact O-N 3.26Å; L346-F350 PolarHBondContact O-N 2.93Å; L346-I412 HydrophobicContact CB-CD1 4.2Å; L346-I412 HydrophobicContact CB-CG1 4.32Å; L346-I412 HydrophobicContact CB-CG2 4.28Å; L346-I412 HydrophobicContact CD1-CG2 4.32Å; L346-V417 HydrophobicContact CD1-CB 4.48Å; L346-V417 HydrophobicContact CD1-CG1 3.71Å; L346-V417 HydrophobicContact CD1-CG2 4.27Å; L346-V422 HydrophobicContact CB-CG2 4.15Å; L346-V422 HydrophobicContact CD2-CG2 4.09Å
347S98.8Very high98.7Very high0 Ų044.7 Ų44.70%021%0.214CC..Hα-helixtrans-69.2-39.4172.857.20000111.5H343 V344 F350 E351 L368 V371H343-S347 PolarHBondContact O-N 2.91Å; H343-S347 PolarHBondContact O-OG 3.16Å; V344-S347 WeakPolarHBondContact CA-OG 3.18Å; V344-S347 PolarHBondContact O-N 3.12Å; V344-S347 PolarHBondContact O-OG 2.98Å; S347-F350 PolarHBondContact O-N 3.24Å; S347-E351 WeakPolarHBondContact O-CB 3.35Å; S347-E351 PolarHBondContact O-N 3.06Å; S347-L368 WeakPolarHBondContact CB-O 3.44Å; S347-L368 PolarHBondContact OG-O 3.48Å; S347-V371 WeakPolarHBondContact O-CG2 3.3Å
348H98.9Very high98.7Very high75 Ų7548.1 Ų48.135%0.34724%0.239SC..Hα-helixtrans-69.1-30.9173.2-74-63.7000113.3V344 Q345 E351 S352 V366V344-H348 PolarHBondContact O-CD2 2.66Å; V344-H348 PolarHBondContact O-N 2.85Å; V344-H348 VanDerWaalsContact O-N 3.12Å; Q345-H348 PolarHBondContact O-N 3.13Å; H348-E351 IonicContact CE1-OE2 3.13Å; H348-E351 IonicContact CG-OE2 2.79Å; H348-E351 IonicContact ND1-OE2 2.66Å; H348-E351 PolarHBondContact ND1-OE2 3.39Å; H348-E351 PolarHBondContact O-N 2.97Å; H348-S352 WeakPolarHBondContact O-CB 3.45Å; H348-S352 PolarHBondContact O-N 3.45Å; H348-V366 PolarHBondContact CE1-O 2.9Å
349E98.9Very high98.7Very high42 Ų4249.1 Ų49.120%0.19623%0.231CC..Hα-helixtrans-59.9-49.9168.6-176.5-178.1160.300110.4Q345 L346 E351 S352 L353 S419 Q423Q345-E349 PolarHBondContact O-N 3.07Å; L346-E349 PolarHBondContact O-N 3.26Å; E349-E351 VanDerWaalsContact C-N 3.34Å; E349-E351 PolarHBondContact O-N 2.79Å; E349-S352 WeakPolarHBondContact O-CB 3.29Å; E349-S352 PolarHBondContact O-N 3.01Å; E349-L353 WeakPolarHBondContact O-CG 3.24Å; E349-L353 PolarHBondContact O-N 3.17Å; E349-S419 VanDerWaalsContact CD-OG 3.3Å; E349-S419 PolarHBondContact OE1-OG 3.16Å; E349-S419 VanDerWaalsContact OE2-CB 3.27Å; E349-S419 WeakPolarHBondContact OE2-CB 3.42Å; E349-S419 PolarHBondContact OE2-OG 2.92Å; E349-Q423 PolarHBondContact OE1-NE2 2.8Å
350F98.9Very high98.7Very high0 Ų048.2 Ų48.20%023%0.228CC..Hα-helixtrans-60.8-41.9175.7-174.8-100.5000112.5L346 S347 S352 L353 V354 V371 F373 F410 V422 W426 I429L346-F350 PolarHBondContact O-N 2.93Å; S347-F350 PolarHBondContact O-N 3.24Å; F350-S352 VanDerWaalsContact C-N 3.34Å; F350-S352 PolarHBondContact O-N 2.78Å; F350-L353 WeakPolarHBondContact O-CB 3.3Å; F350-L353 PolarHBondContact O-N 3.09Å; F350-V354 HydrophobicContact CD1-CG2 3.91Å; F350-V354 HydrophobicContact CE1-CG2 3.51Å; F350-V354 HydrophobicContact CE2-CG2 4.34Å; F350-V354 HydrophobicContact CG-CG2 4.48Å; F350-V354 HydrophobicContact CZ-CG2 3.76Å; F350-V354 VanDerWaalsContact O-CG2 3.24Å; F350-V354 WeakPolarHBondContact O-CG2 3.46Å; F350-V354 PolarHBondContact O-N 2.76Å; F350-V371 HydrophobicContact CD1-CB 3.75Å; F350-V371 HydrophobicContact CD1-CG1 3.81Å; F350-V371 HydrophobicContact CD1-CG2 3.89Å; F350-V371 HydrophobicContact CE1-CB 4.15Å; F350-V371 HydrophobicContact CE1-CG1 4.06Å; F350-F373 AromaticContact CE1-CD1 3.85Å; F350-F373 HydrophobicContact CE1-CD1 3.85Å; F350-F373 AromaticContact CE1-CE1 3.88Å; F350-F373 HydrophobicContact CE1-CE1 3.88Å; F350-F373 HydrophobicContact CE1-CG 4.32Å; F350-F373 HydrophobicContact CE1-CZ 4.36Å; F350-F373 HydrophobicContact CZ-CD1 4.25Å; F350-F373 AromaticContact CZ-CE1 3.87Å; F350-F373 HydrophobicContact CZ-CE1 3.87Å; F350-F373 HydrophobicContact CZ-CE2 4.37Å; F350-F373 AromaticContact CZ-CZ 3.94Å; F350-F373 HydrophobicContact CZ-CZ 3.94Å; F350-F410 HydrophobicContact CB-CD1 4.32Å; F350-F410 HydrophobicContact CB-CE1 4.34Å; F350-F410 HydrophobicContact CD1-CB 3.96Å; F350-F410 AromaticContact CD1-CD1 3.77Å; F350-F410 HydrophobicContact CD1-CD1 3.77Å; F350-F410 HydrophobicContact CD1-CE1 4.43Å; F350-F410 AromaticContact CD1-CG 3.86Å; F350-F410 HydrophobicContact CD1-CG 3.86Å; F350-F410 AromaticContact CD2-CD1 3.98Å; F350-F410 HydrophobicContact CD2-CD1 3.98Å; F350-F410 HydrophobicContact CD2-CD2 4.3Å; F350-F410 AromaticContact CD2-CE1 3.84Å; F350-F410 HydrophobicContact CD2-CE1 3.84Å; F350-F410 HydrophobicContact CD2-CE2 4.21Å; F350-F410 HydrophobicContact CD2-CG 4.21Å; F350-F410 AromaticContact CD2-CZ 3.99Å; F350-F410 HydrophobicContact CD2-CZ 3.99Å; F350-F410 HydrophobicContact CE1-CB 3.51Å; F350-F410 HydrophobicContact CE1-CD1 4.03Å; F350-F410 HydrophobicContact CE1-CD2 4.07Å; F350-F410 AromaticContact CE1-CG 3.61Å; F350-F410 HydrophobicContact CE1-CG 3.61Å; F350-F410 HydrophobicContact CE2-CD1 4.22Å; F350-F410 AromaticContact CE2-CD2 3.75Å; F350-F410 HydrophobicContact CE2-CD2 3.75Å; F350-F410 HydrophobicContact CE2-CE1 4.25Å; F350-F410 AromaticContact CE2-CE2 3.82Å; F350-F410 HydrophobicContact CE2-CE2 3.82Å; F350-F410 AromaticContact CE2-CG 3.97Å; F350-F410 HydrophobicContact CE2-CG 3.97Å; F350-F410 HydrophobicContact CE2-CZ 4.08Å; F350-F410 AromaticContact CG-CD1 3.74Å; F350-F410 HydrophobicContact CG-CD1 3.74Å; F350-F410 AromaticContact CG-CE1 3.94Å; F350-F410 HydrophobicContact CG-CE1 3.94Å; F350-F410 HydrophobicContact CG-CG 4.15Å; F350-F410 HydrophobicContact CZ-CB 3.93Å; F350-F410 HydrophobicContact CZ-CD1 4.25Å; F350-F410 AromaticContact CZ-CD2 3.62Å; F350-F410 HydrophobicContact CZ-CD2 3.62Å; F350-F410 HydrophobicContact CZ-CE2 4.18Å; F350-F410 AromaticContact CZ-CG 3.67Å; F350-F410 HydrophobicContact CZ-CG 3.67Å; F350-V422 HydrophobicContact CB-CG1 3.68Å; F350-V422 HydrophobicContact CD2-CG1 3.94Å; F350-V422 HydrophobicContact CG-CG1 4.29Å; F350-W426 HydrophobicContact CD2-CB 4.39Å; F350-W426 HydrophobicContact CE2-CB 4.2Å; F350-W426 HydrophobicContact CE2-CD2 4.45Å; F350-W426 AromaticContact CE2-CE3 3.78Å; F350-W426 HydrophobicContact CE2-CE3 3.78Å; F350-W426 HydrophobicContact CZ-CE3 4.04Å; F350-W426 HydrophobicContact CZ-CZ3 4.44Å; F350-I429 HydrophobicContact CE2-CD1 3.99Å; F350-I429 HydrophobicContact CZ-CD1 3.98Å
351E98.9Very high98.7Very high27 Ų2751.2 Ų51.213%0.12624%0.242CC..Hα-helixtrans-56.5-47.8175-173.6-166.6179.800111.5S347 H348 E349 L353 V354 R355 I362 V366S347-E351 WeakPolarHBondContact O-CB 3.35Å; S347-E351 PolarHBondContact O-N 3.06Å; H348-E351 IonicContact CE1-OE2 3.13Å; H348-E351 IonicContact CG-OE2 2.79Å; H348-E351 IonicContact ND1-OE2 2.66Å; H348-E351 PolarHBondContact ND1-OE2 3.39Å; H348-E351 PolarHBondContact O-N 2.97Å; E349-E351 VanDerWaalsContact C-N 3.34Å; E349-E351 PolarHBondContact O-N 2.79Å; E351-L353 VanDerWaalsContact C-N 3.33Å; E351-L353 PolarHBondContact O-N 3.25Å; E351-V354 PolarHBondContact O-N 3.3Å; E351-R355 WeakPolarHBondContact O-CG 3.08Å; E351-R355 PolarHBondContact O-N 2.89Å; E351-R355 IonicContact OE1-CZ 3.88Å; E351-R355 VanDerWaalsContact OE1-CZ 3.26Å; E351-R355 IonicContact OE1-NE 3.32Å; E351-R355 PolarHBondContact OE1-NE 3.35Å; E351-R355 IonicContact OE1-NH2 2.82Å; E351-R355 PolarHBondContact OE1-NH2 3.27Å; E351-I362 HydrophobicContact CG-CD1 3.97Å; E351-I362 HydrophobicContact CG-CG1 4.07Å; E351-V366 HydrophobicContact CB-CG2 4.08Å; E351-V366 HydrophobicContact CG-CB 4.35Å; E351-V366 HydrophobicContact CG-CG2 3.71Å
352S98.8Very high98.7Very high58 Ų5848 Ų4841%0.40623%0.232SC..Hα-helixtrans-59.8-43.8177.8-178.30000111.7H348 E349 F350 V354 R355 Q356H348-S352 WeakPolarHBondContact O-CB 3.45Å; H348-S352 PolarHBondContact O-N 3.45Å; E349-S352 WeakPolarHBondContact O-CB 3.29Å; E349-S352 PolarHBondContact O-N 3.01Å; F350-S352 VanDerWaalsContact C-N 3.34Å; F350-S352 PolarHBondContact O-N 2.78Å; S352-V354 PolarHBondContact O-N 2.83Å; S352-R355 PolarHBondContact O-N 3.32Å; S352-Q356 VanDerWaalsContact O-CG 3.28Å; S352-Q356 WeakPolarHBondContact O-CG 3.48Å; S352-Q356 PolarHBondContact O-N 2.8Å; S352-Q356 VanDerWaalsContact O-N 3.14Å; S352-Q356 PolarHBondContact O-NE2 3.08Å; S352-Q356 PolarHBondContact OG-NE2 3.44Å; S352-Q356 VanDerWaalsContact OG-NE2 3.11Å
353L98.8Very high98.7Very high19 Ų1946.9 Ų46.910%0.09923%0.23CC..Hα-helixtrans-60.2-43.3176.6-71.4173.1000112.4E349 F350 E351 Q356 V422 W426E349-L353 WeakPolarHBondContact O-CG 3.24Å; E349-L353 PolarHBondContact O-N 3.17Å; F350-L353 WeakPolarHBondContact O-CB 3.3Å; F350-L353 PolarHBondContact O-N 3.09Å; E351-L353 VanDerWaalsContact C-N 3.33Å; E351-L353 PolarHBondContact O-N 3.25Å; L353-Q356 PolarHBondContact O-N 3.1Å; L353-V422 HydrophobicContact CD1-CG1 4.31Å; L353-W426 HydrophobicContact CB-CD2 4.19Å; L353-W426 HydrophobicContact CB-CG 3.91Å; L353-W426 HydrophobicContact CD1-CB 3.96Å; L353-W426 HydrophobicContact CD1-CG 4.02Å; L353-W426 HydrophobicContact CG-CG 4.47Å; L353-W426 WeakPolarHBondContact O-CZ2 3.44Å
354V98.8Very high98.6Very high0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-65.6-43.1177.9175.40000111F350 E351 S352 Q356 D357 F360 I362 F373 W426F350-V354 HydrophobicContact CD1-CG2 3.91Å; F350-V354 HydrophobicContact CE1-CG2 3.51Å; F350-V354 HydrophobicContact CE2-CG2 4.34Å; F350-V354 HydrophobicContact CG-CG2 4.48Å; F350-V354 HydrophobicContact CZ-CG2 3.76Å; F350-V354 VanDerWaalsContact O-CG2 3.24Å; F350-V354 WeakPolarHBondContact O-CG2 3.46Å; F350-V354 PolarHBondContact O-N 2.76Å; E351-V354 PolarHBondContact O-N 3.3Å; S352-V354 PolarHBondContact O-N 2.83Å; V354-Q356 VanDerWaalsContact C-N 3.25Å; V354-Q356 PolarHBondContact O-N 2.76Å; V354-D357 PolarHBondContact O-N 3.49Å; V354-F360 HydrophobicContact CG1-CB 3.77Å; V354-I362 HydrophobicContact CB-CD1 3.88Å; V354-I362 HydrophobicContact CG1-CD1 3.64Å; V354-I362 HydrophobicContact CG1-CG1 4.22Å; V354-I362 HydrophobicContact CG2-CD1 4.47Å; V354-F373 HydrophobicContact CG1-CB 3.98Å; V354-F373 HydrophobicContact CG1-CD2 4.29Å; V354-F373 HydrophobicContact CG1-CG 4.45Å; V354-F373 HydrophobicContact CG2-CD2 4.32Å; V354-F373 HydrophobicContact CG2-CG 4.42Å; V354-W426 HydrophobicContact CB-CH2 4.17Å; V354-W426 HydrophobicContact CB-CZ3 4.37Å; V354-W426 HydrophobicContact CG1-CH2 4.41Å; V354-W426 HydrophobicContact CG2-CE3 4.01Å; V354-W426 HydrophobicContact CG2-CH2 3.89Å; V354-W426 HydrophobicContact CG2-CZ3 3.59Å
355R98.6Very high98.5Very high149 Ų14954.2 Ų54.256%0.56227%0.265SS*.Hα-helixtrans-65.7-26.7-179.9-72.2-179.3-177-73.70.8113.4E351 S352 D357 I362E351-R355 WeakPolarHBondContact O-CG 3.08Å; E351-R355 PolarHBondContact O-N 2.89Å; E351-R355 IonicContact OE1-CZ 3.88Å; E351-R355 VanDerWaalsContact OE1-CZ 3.26Å; E351-R355 IonicContact OE1-NE 3.32Å; E351-R355 PolarHBondContact OE1-NE 3.35Å; E351-R355 IonicContact OE1-NH2 2.82Å; E351-R355 PolarHBondContact OE1-NH2 3.27Å; S352-R355 PolarHBondContact O-N 3.32Å; R355-D357 VanDerWaalsContact C-N 3.28Å; R355-I362 HydrophobicContact CG-CG1 3.8Å
356Q98.6Very high98.5Very high138 Ų13848 Ų4865%0.64524%0.237SC*.Hα-helixtrans-73.1-19.3176.6-72.5169.550.500113.1S352 L353 V354S352-Q356 VanDerWaalsContact O-CG 3.28Å; S352-Q356 WeakPolarHBondContact O-CG 3.48Å; S352-Q356 PolarHBondContact O-N 2.8Å; S352-Q356 VanDerWaalsContact O-N 3.14Å; S352-Q356 PolarHBondContact O-NE2 3.08Å; S352-Q356 PolarHBondContact OG-NE2 3.44Å; S352-Q356 VanDerWaalsContact OG-NE2 3.11Å; L353-Q356 PolarHBondContact O-N 3.1Å; V354-Q356 VanDerWaalsContact C-N 3.25Å; V354-Q356 PolarHBondContact O-N 2.76Å
357D98.6Very high98.4Very high19 Ų1949.7 Ų49.710%0.10225%0.245CC..SBendtrans-98.2110.7177.8-168.9-35.7000110.9V354 R355 R359 F360 W426V354-D357 PolarHBondContact O-N 3.49Å; R355-D357 VanDerWaalsContact C-N 3.28Å; D357-R359 PolarHBondContact O-N 3Å; D357-R359 VanDerWaalsContact OD1-CB 3.22Å; D357-R359 WeakPolarHBondContact OD1-CB 3.41Å; D357-R359 VanDerWaalsContact OD1-CG 3.24Å; D357-R359 WeakPolarHBondContact OD1-CG 3.15Å; D357-R359 IonicContact OD1-CZ 3.97Å; D357-R359 PolarHBondContact OD1-N 3.15Å; D357-R359 IonicContact OD1-NE 3.96Å; D357-R359 PolarHBondContact OD1-NE 3.44Å; D357-R359 IonicContact OD1-NH2 3.87Å; D357-R359 IonicContact OD2-CZ 2.72Å; D357-R359 VanDerWaalsContact OD2-CZ 3.3Å; D357-R359 IonicContact OD2-NE 2.67Å; D357-R359 PolarHBondContact OD2-NE 2.85Å; D357-R359 VanDerWaalsContact OD2-NE 3.14Å; D357-R359 IonicContact OD2-NH2 3.3Å; D357-R359 PolarHBondContact OD2-NH2 3.4Å; D357-F360 HydrophobicContact CB-CD2 3.94Å; D357-F360 PolarHBondContact O-N 3.23Å; D357-W426 HydrophobicContact CB-CH2 4.29Å; D357-W426 HydrophobicContact CB-CZ2 3.76Å
358P98.1Very high98.4Very high103 Ų10349.7 Ų49.767%0.66925%0.246SC*.THydrogen-bonded Turntrans-66-13.7-17327.9-36000113.9F360 K376P358-F360 VanDerWaalsContact C-N 3.27Å; P358-K376 PolarHBondContact O-NZ 3.23Å
359R98.4Very high98.4Very high75 Ų7546.1 Ų46.128%0.28323%0.229SC..THydrogen-bonded Turntrans-71.3-23.2176.5-57176.4-67.9168.10.3112.2D357 L375 K376 L437D357-R359 PolarHBondContact O-N 3Å; D357-R359 VanDerWaalsContact OD1-CB 3.22Å; D357-R359 WeakPolarHBondContact OD1-CB 3.41Å; D357-R359 VanDerWaalsContact OD1-CG 3.24Å; D357-R359 WeakPolarHBondContact OD1-CG 3.15Å; D357-R359 IonicContact OD1-CZ 3.97Å; D357-R359 PolarHBondContact OD1-N 3.15Å; D357-R359 IonicContact OD1-NE 3.96Å; D357-R359 PolarHBondContact OD1-NE 3.44Å; D357-R359 IonicContact OD1-NH2 3.87Å; D357-R359 IonicContact OD2-CZ 2.72Å; D357-R359 VanDerWaalsContact OD2-CZ 3.3Å; D357-R359 IonicContact OD2-NE 2.67Å; D357-R359 PolarHBondContact OD2-NE 2.85Å; D357-R359 VanDerWaalsContact OD2-NE 3.14Å; D357-R359 IonicContact OD2-NH2 3.3Å; D357-R359 PolarHBondContact OD2-NH2 3.4Å; R359-L375 HydrophobicContact CB-CD2 3.94Å; R359-K376 PolarHBondContact O-N 3.43Å; R359-L437 HydrophobicContact CB-CD1 4.43Å; R359-L437 HydrophobicContact CG-CD1 4.35Å
360F98.8Very high98.4Very high6 Ų644.6 Ų44.63%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-106.3165.1-176.3-65.9-95.3000112.4V354 D357 P358 F373 R374 L375 K376 L385 W426 I429 A433V354-F360 HydrophobicContact CG1-CB 3.77Å; D357-F360 HydrophobicContact CB-CD2 3.94Å; D357-F360 PolarHBondContact O-N 3.23Å; P358-F360 VanDerWaalsContact C-N 3.27Å; F360-F373 AromaticContact CD1-CD2 3.83Å; F360-F373 HydrophobicContact CD1-CD2 3.83Å; F360-F373 HydrophobicContact CD1-CE2 4.11Å; F360-F373 HydrophobicContact CE1-CD2 4.19Å; F360-F373 AromaticContact CE1-CE2 3.99Å; F360-F373 HydrophobicContact CE1-CE2 3.99Å; F360-R374 CarbonylContact C-O 3.54Å; F360-R374 VanDerWaalsContact CA-O 3.27Å; F360-R374 WeakPolarHBondContact CA-O 3.16Å; F360-L375 HydrophobicContact CD1-CD2 3.75Å; F360-L375 HydrophobicContact CD1-CG 3.99Å; F360-L375 HydrophobicContact CD2-CD2 3.94Å; F360-L375 HydrophobicContact CE1-CD2 3.51Å; F360-L375 HydrophobicContact CE1-CG 3.63Å; F360-L375 HydrophobicContact CE2-CD2 3.71Å; F360-L375 HydrophobicContact CG-CD2 3.98Å; F360-L375 HydrophobicContact CZ-CD2 3.51Å; F360-L375 HydrophobicContact CZ-CG 4.04Å; F360-K376 VanDerWaalsContact O-CE 3.25Å; F360-K376 WeakPolarHBondContact O-CE 3.47Å; F360-L385 HydrophobicContact CE1-CD2 3.97Å; F360-L385 HydrophobicContact CZ-CD2 4.46Å; F360-W426 HydrophobicContact CD1-CH2 4.38Å; F360-W426 AromaticContact CD2-CH2 3.64Å; F360-W426 HydrophobicContact CD2-CH2 3.64Å; F360-W426 HydrophobicContact CD2-CZ2 4.43Å; F360-W426 HydrophobicContact CE1-CH2 4.42Å; F360-W426 HydrophobicContact CE1-CZ3 4.42Å; F360-W426 AromaticContact CE2-CH2 3.7Å; F360-W426 HydrophobicContact CE2-CH2 3.7Å; F360-W426 HydrophobicContact CE2-CZ2 4.47Å; F360-W426 HydrophobicContact CE2-CZ3 4.34Å; F360-W426 AromaticContact CG-CH2 3.98Å; F360-W426 HydrophobicContact CG-CH2 3.98Å; F360-W426 HydrophobicContact CZ-CH2 4.07Å; F360-W426 HydrophobicContact CZ-CZ3 4.27Å; F360-I429 HydrophobicContact CE1-CG2 4.12Å; F360-I429 HydrophobicContact CZ-CG2 3.97Å; F360-A433 HydrophobicContact CE1-CB 4.45Å; F360-A433 HydrophobicContact CE2-CB 4.13Å; F360-A433 HydrophobicContact CZ-CB 3.52Å
361E98.5Very high98.4Very high63 Ų6344.6 Ų44.629%0.29422%0.222SC..EExtended strand (participates in β ladder)trans-139.6144.2169.161.8-178.2-172.700111.2F373 R374 K376E361-F373 VanDerWaalsContact O-CA 3.31Å; E361-F373 WeakPolarHBondContact O-CA 3.35Å; E361-R374 HydrophobicContact CG-CG 3.56Å; E361-R374 PolarHBondContact N-O 3.33Å; E361-R374 PolarHBondContact O-N 3.36Å; E361-R374 WeakPolarHBondContact OE1-CD 3.46Å; E361-R374 IonicContact OE1-NE 3.65Å; E361-K376 HydrophobicContact CB-CG 4.19Å; E361-K376 HydrophobicContact CG-CG 4.13Å
362I98.5Very high98.4Very high26 Ų2643.4 Ų43.413%0.13322%0.217CC..EExtended strand (participates in β ladder)trans-81.5126.4166.9-63.4-63.6000107.7E351 V354 R355 V364 V366 V371 F373E351-I362 HydrophobicContact CG-CD1 3.97Å; E351-I362 HydrophobicContact CG-CG1 4.07Å; V354-I362 HydrophobicContact CB-CD1 3.88Å; V354-I362 HydrophobicContact CG1-CD1 3.64Å; V354-I362 HydrophobicContact CG1-CG1 4.22Å; V354-I362 HydrophobicContact CG2-CD1 4.47Å; R355-I362 HydrophobicContact CG-CG1 3.8Å; I362-V364 WeakPolarHBondContact CG2-O 3.3Å; I362-V366 HydrophobicContact CG2-CG2 4.33Å; I362-V371 HydrophobicContact CD1-CG1 3.63Å; I362-F373 HydrophobicContact CD1-CB 4.15Å
363C97.7Very high98.4Very high33 Ų3340.6 Ų40.622%0.22320%0.197CC..  trans-87.4-19-169.9-630000114.2C372 R374 L402 V407C363-C372 HydrophobicContact CB-CB 4.42Å; C363-C372 PolarHBondContact N-O 3.43Å; C363-R374 VanDerWaalsContact SG-CG 3.55Å; C363-L402 HydrophobicContact CB-CD1 3.86Å; C363-V407 HydrophobicContact CB-CG1 4.12Å; C363-V407 HydrophobicContact CB-CG2 4.19Å
364V96.8Very high98.4Very high24 Ų2440 Ų4015%0.14519%0.194CC..SBendtrans-162.2151.2-172.947.30000107.7F177 C210 I362 V366 C372 L402F177-V364 HydrophobicContact CD2-CG2 4.43Å; C210-V364 HydrophobicContact CB-CB 4.45Å; C210-V364 HydrophobicContact CB-CG1 3.82Å; C210-V364 HydrophobicContact CB-CG2 4.25Å; I362-V364 WeakPolarHBondContact CG2-O 3.3Å; V364-V366 PolarHBondContact O-N 3.38Å; V364-C372 HydrophobicContact CG1-CB 3.44Å; V364-C372 VanDerWaalsContact CG1-CB 3.44Å; V364-L402 HydrophobicContact CG1-CD1 4.13Å
365E97.2Very high98.3Very high138 Ų13840 Ų4065%0.64519%0.194SC*.  trans-51.5133.9176.2-174.6175.7-16900112.1I367E365-I367 HydrophobicContact CB-CG1 4.47Å; E365-I367 HydrophobicContact CG-CG1 4.02Å; E365-I367 PolarHBondContact O-N 3.43Å
366V98.4Very high98.3Very high6 Ų638.2 Ų38.24%0.03619%0.19CC..  trans-87.8109.5175179.90000107.8H348 E351 I362 V364 V371H348-V366 PolarHBondContact CE1-O 2.9Å; E351-V366 HydrophobicContact CB-CG2 4.08Å; E351-V366 HydrophobicContact CG-CB 4.35Å; E351-V366 HydrophobicContact CG-CG2 3.71Å; I362-V366 HydrophobicContact CG2-CG2 4.33Å; V364-V366 PolarHBondContact O-N 3.38Å; V366-V371 HydrophobicContact CG1-CG2 3.88Å; V366-V371 HydrophobicContact CG2-CB 4.26Å; V366-V371 HydrophobicContact CG2-CG1 3.88Å; V366-V371 HydrophobicContact CG2-CG2 3.97Å
367I98Very high98.1Very high42 Ų4234.3 Ų34.322%0.21519%0.187CC..  trans-102.9-39-176.9-57.4170.9000111.3F213 L249 E365F213-I367 HydrophobicContact CD2-CD1 3.64Å; F213-I367 HydrophobicContact CE2-CB 4.03Å; F213-I367 HydrophobicContact CE2-CD1 3.61Å; F213-I367 HydrophobicContact CE2-CG1 4.41Å; F213-I367 HydrophobicContact CE2-CG2 3.78Å; F213-I367 HydrophobicContact CZ-CG2 4.27Å; L249-I367 HydrophobicContact CD1-CG2 3.76Å; L249-I367 HydrophobicContact CD2-CG2 4.31Å; E365-I367 HydrophobicContact CB-CG1 4.47Å; E365-I367 HydrophobicContact CG-CG1 4.02Å; E365-I367 PolarHBondContact O-N 3.43Å
368L98.7Very high98.1Very high1 Ų136 Ų361%0.00520%0.2CC..SBendtrans-131.8-145.9-176.1-64.5178.8000110.3F213 Y236 A237 A240 F246 W266 V344 S347 L370F213-L368 HydrophobicContact CZ-CD1 3.77Å; F213-L368 HydrophobicContact CZ-CG 4.35Å; Y236-L368 HydrophobicContact CE1-CB 4.42Å; A237-L368 HydrophobicContact CB-CD1 3.59Å; A240-L368 HydrophobicContact CB-CD1 4Å; A240-L368 HydrophobicContact CB-CD2 3.81Å; F246-L368 HydrophobicContact CD1-CD2 3.84Å; F246-L368 HydrophobicContact CD2-CD2 4.26Å; F246-L368 HydrophobicContact CE1-CD2 4.06Å; F246-L368 HydrophobicContact CE2-CD2 4.5Å; F246-L368 HydrophobicContact CG-CD2 3.97Å; F246-L368 HydrophobicContact CZ-CD2 4.41Å; W266-L368 HydrophobicContact CH2-CB 4Å; W266-L368 HydrophobicContact CZ3-CB 4.1Å; W266-L368 HydrophobicContact CZ3-CD1 4.17Å; V344-L368 HydrophobicContact CG2-CD2 4.11Å; S347-L368 WeakPolarHBondContact CB-O 3.44Å; S347-L368 PolarHBondContact OG-O 3.48Å; L368-L370 VanDerWaalsContact C-N 3.26Å; L368-L370 PolarHBondContact O-N 3.1Å
369G98.3Very high98.1Very high0 Ų033.3 Ų33.30%018%0.18CC..SBendtrans-80.917.1-174.100000116.2Y236 A411 I412Y236-G369 WeakPolarHBondContact OH-CA 3.2Å; Y236-G369 PolarHBondContact OH-N 3.33Å; G369-A411 WeakPolarHBondContact O-CA 3.37Å; G369-I412 PolarHBondContact O-N 3.32Å
370L98.8Very high98Very high10 Ų1037.4 Ų37.45%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-120.8125.2178.6173.663.3000110.6C211 L368 R409 A411C211-L370 HydrophobicContact CB-CB 4.15Å; C211-L370 HydrophobicContact CB-CD2 3.83Å; C211-L370 HydrophobicContact CB-CG 4.48Å; L368-L370 VanDerWaalsContact C-N 3.26Å; L368-L370 PolarHBondContact O-N 3.1Å; L370-R409 HydrophobicContact CD1-CB 3.79Å; L370-R409 HydrophobicContact CD1-CG 4.33Å; L370-A411 HydrophobicContact CD1-CB 4.17Å
371V98.8Very high98Very high0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-111.4126.2171.7-173.60000109.8S347 F350 I362 V366 F410S347-V371 WeakPolarHBondContact O-CG2 3.3Å; F350-V371 HydrophobicContact CD1-CB 3.75Å; F350-V371 HydrophobicContact CD1-CG1 3.81Å; F350-V371 HydrophobicContact CD1-CG2 3.89Å; F350-V371 HydrophobicContact CE1-CB 4.15Å; F350-V371 HydrophobicContact CE1-CG1 4.06Å; I362-V371 HydrophobicContact CD1-CG1 3.63Å; V366-V371 HydrophobicContact CG1-CG2 3.88Å; V366-V371 HydrophobicContact CG2-CB 4.26Å; V366-V371 HydrophobicContact CG2-CG1 3.88Å; V366-V371 HydrophobicContact CG2-CG2 3.97Å; V371-F410 HydrophobicContact CB-CB 4.36Å; V371-F410 PolarHBondContact N-O 3.34Å; V371-F410 PolarHBondContact O-N 3.03Å
372C98.8Very high98Very high1 Ų134.2 Ų34.21%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-107115.8175.9-700000109.2C363 V364 V407 L408C363-C372 HydrophobicContact CB-CB 4.42Å; C363-C372 PolarHBondContact N-O 3.43Å; V364-C372 HydrophobicContact CG1-CB 3.44Å; V364-C372 VanDerWaalsContact CG1-CB 3.44Å; C372-V407 HydrophobicContact CB-CG1 3.75Å; C372-L408 WeakPolarHBondContact CA-O 2.98Å
373F98.8Very high98Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-141.7161.8-172.475.3-70.7000111.2F350 V354 F360 E361 I362 L397 L408 F410 W426 I429F350-F373 AromaticContact CE1-CD1 3.85Å; F350-F373 HydrophobicContact CE1-CD1 3.85Å; F350-F373 AromaticContact CE1-CE1 3.88Å; F350-F373 HydrophobicContact CE1-CE1 3.88Å; F350-F373 HydrophobicContact CE1-CG 4.32Å; F350-F373 HydrophobicContact CE1-CZ 4.36Å; F350-F373 HydrophobicContact CZ-CD1 4.25Å; F350-F373 AromaticContact CZ-CE1 3.87Å; F350-F373 HydrophobicContact CZ-CE1 3.87Å; F350-F373 HydrophobicContact CZ-CE2 4.37Å; F350-F373 AromaticContact CZ-CZ 3.94Å; F350-F373 HydrophobicContact CZ-CZ 3.94Å; V354-F373 HydrophobicContact CG1-CB 3.98Å; V354-F373 HydrophobicContact CG1-CD2 4.29Å; V354-F373 HydrophobicContact CG1-CG 4.45Å; V354-F373 HydrophobicContact CG2-CD2 4.32Å; V354-F373 HydrophobicContact CG2-CG 4.42Å; F360-F373 AromaticContact CD1-CD2 3.83Å; F360-F373 HydrophobicContact CD1-CD2 3.83Å; F360-F373 HydrophobicContact CD1-CE2 4.11Å; F360-F373 HydrophobicContact CE1-CD2 4.19Å; F360-F373 AromaticContact CE1-CE2 3.99Å; F360-F373 HydrophobicContact CE1-CE2 3.99Å; E361-F373 VanDerWaalsContact O-CA 3.31Å; E361-F373 WeakPolarHBondContact O-CA 3.35Å; I362-F373 HydrophobicContact CD1-CB 4.15Å; F373-L397 HydrophobicContact CE1-CD1 4.41Å; F373-L397 HydrophobicContact CZ-CD1 4.16Å; F373-L408 HydrophobicContact CD1-CB 4.19Å; F373-L408 WeakPolarHBondContact CD1-O 3.32Å; F373-L408 HydrophobicContact CE1-CB 3.72Å; F373-L408 HydrophobicContact CE2-CD2 4.46Å; F373-L408 HydrophobicContact CZ-CB 3.92Å; F373-L408 HydrophobicContact CZ-CD2 4.08Å; F373-L408 PolarHBondContact N-O 3.31Å; F373-L408 PolarHBondContact O-N 3.05Å; F373-F410 HydrophobicContact CD1-CB 4.43Å; F373-F410 HydrophobicContact CE1-CB 4.01Å; F373-W426 HydrophobicContact CE2-CZ3 4.37Å; F373-I429 HydrophobicContact CE2-CG2 4.04Å; F373-I429 HydrophobicContact CZ-CD1 4.08Å; F373-I429 HydrophobicContact CZ-CG2 4.37Å
374R98.7Very high98Very high7 Ų737 Ų373%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-153159.7175.969.1179.3-71.11704.2111.1F360 E361 C363 G377 S378 N379 N382 K405F360-R374 CarbonylContact C-O 3.54Å; F360-R374 VanDerWaalsContact CA-O 3.27Å; F360-R374 WeakPolarHBondContact CA-O 3.16Å; E361-R374 HydrophobicContact CG-CG 3.56Å; E361-R374 PolarHBondContact N-O 3.33Å; E361-R374 PolarHBondContact O-N 3.36Å; E361-R374 WeakPolarHBondContact OE1-CD 3.46Å; E361-R374 IonicContact OE1-NE 3.65Å; C363-R374 VanDerWaalsContact SG-CG 3.55Å; R374-G377 PolarHBondContact NH2-O 2.94Å; R374-S378 PolarHBondContact NH2-O 3.44Å; R374-N379 PolarHBondContact NH1-OD1 3.36Å; R374-N379 PolarHBondContact NH2-OD1 2.83Å; R374-N382 WeakPolarHBondContact CA-OD1 3.45Å; R374-N382 VanDerWaalsContact CB-OD1 3.27Å; R374-N382 WeakPolarHBondContact CB-OD1 3.33Å; R374-N382 PolarHBondContact NH2-ND2 3.43Å; R374-K405 VanDerWaalsContact NH1-CG 3.31Å
375L98.5Very high98.1Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-66.5137.1158.6-77.8172.9000109.3R359 F360 V381 N382 L385 A433 L437R359-L375 HydrophobicContact CB-CD2 3.94Å; F360-L375 HydrophobicContact CD1-CD2 3.75Å; F360-L375 HydrophobicContact CD1-CG 3.99Å; F360-L375 HydrophobicContact CD2-CD2 3.94Å; F360-L375 HydrophobicContact CE1-CD2 3.51Å; F360-L375 HydrophobicContact CE1-CG 3.63Å; F360-L375 HydrophobicContact CE2-CD2 3.71Å; F360-L375 HydrophobicContact CG-CD2 3.98Å; F360-L375 HydrophobicContact CZ-CD2 3.51Å; F360-L375 HydrophobicContact CZ-CG 4.04Å; L375-V381 HydrophobicContact CB-CG1 3.96Å; L375-V381 HydrophobicContact CD1-CG1 3.48Å; L375-V381 VanDerWaalsContact CD1-CG1 3.48Å; L375-V381 HydrophobicContact CG-CG1 4.37Å; L375-N382 PolarHBondContact N-OD1 3.49Å; L375-N382 PolarHBondContact O-ND2 2.86Å; L375-L385 HydrophobicContact CD1-CB 4.36Å; L375-L385 HydrophobicContact CD1-CD2 3.7Å; L375-L385 HydrophobicContact CG-CD2 3.91Å; L375-A433 HydrophobicContact CD1-CB 4.04Å; L375-A433 HydrophobicContact CD2-CB 4.18Å; L375-A433 HydrophobicContact CG-CB 4.5Å; L375-L437 HydrophobicContact CD1-CD2 4.5Å; L375-L437 HydrophobicContact CD1-CG 4.4Å; L375-L437 HydrophobicContact CD2-CD1 4.19Å
376K97.6Very high98.1Very high110 Ų11030 Ų3048%0.47817%0.167SC..SBendtrans-63.2134.2168.3-68.1176-177.4158.30108.8P358 R359 F360 E361P358-K376 PolarHBondContact O-NZ 3.23Å; R359-K376 PolarHBondContact O-N 3.43Å; F360-K376 VanDerWaalsContact O-CE 3.25Å; F360-K376 WeakPolarHBondContact O-CE 3.47Å; E361-K376 HydrophobicContact CB-CG 4.19Å; E361-K376 HydrophobicContact CG-CG 4.13Å
377G95.1Very high98.1Very high57 Ų5736.2 Ų36.259%0.58820%0.195SC*.SBendtrans125.8-154-175.300000112R374R374-G377 PolarHBondContact NH2-O 2.94Å
378S96.9Very high98.1Very high53 Ų5338.9 Ų38.937%0.37120%0.202SC..  trans-73.7164.1-172.477.80000113.2R374 K380 V381 N382R374-S378 PolarHBondContact NH2-O 3.44Å; S378-K380 VanDerWaalsContact C-N 3.28Å; S378-K380 PolarHBondContact OG-N 3.16Å; S378-V381 PolarHBondContact OG-N 3.1Å; S378-N382 PolarHBondContact O-ND2 2.95Å
379N98.3Very high98.1Very high47 Ų4738.8 Ų38.825%0.25120%0.202SC..Hα-helixtrans-64.6-35170.2-70.6-9.1000111.4R374 V381 N382 E383 D404 F406R374-N379 PolarHBondContact NH1-OD1 3.36Å; R374-N379 PolarHBondContact NH2-OD1 2.83Å; N379-V381 VanDerWaalsContact C-N 3.31Å; N379-V381 PolarHBondContact O-N 2.57Å; N379-N382 WeakPolarHBondContact O-CB 3.34Å; N379-N382 PolarHBondContact O-N 2.88Å; N379-E383 PolarHBondContact O-N 3.19Å; N379-D404 PolarHBondContact ND2-O 2.75Å; N379-F406 HydrophobicContact CB-CB 3.72Å; N379-F406 PolarHBondContact OD1-N 3.03Å
380K97.7Very high98Very high161 Ų16140.4 Ų40.470%0.721%0.21SC*.Hα-helixtrans-58.1-39.9179.1-65.8-177.1176.8-178.80112.8S378 N382 E383 A384S378-K380 VanDerWaalsContact C-N 3.28Å; S378-K380 PolarHBondContact OG-N 3.16Å; K380-N382 VanDerWaalsContact C-N 3.28Å; K380-N382 PolarHBondContact O-N 3.1Å; K380-E383 PolarHBondContact O-N 3.45Å; K380-A384 WeakPolarHBondContact O-CB 3.43Å; K380-A384 PolarHBondContact O-N 2.99Å
381V97.8Very high97.8Very high3 Ų343.5 Ų43.52%0.01823%0.233CC..Hα-helixtrans-59.6-41.6174.7173.40000111.7L375 S378 N379 A384 L385 V436 L437 E440L375-V381 HydrophobicContact CB-CG1 3.96Å; L375-V381 HydrophobicContact CD1-CG1 3.48Å; L375-V381 VanDerWaalsContact CD1-CG1 3.48Å; L375-V381 HydrophobicContact CG-CG1 4.37Å; S378-V381 PolarHBondContact OG-N 3.1Å; N379-V381 VanDerWaalsContact C-N 3.31Å; N379-V381 PolarHBondContact O-N 2.57Å; V381-A384 PolarHBondContact O-N 3.23Å; V381-L385 WeakPolarHBondContact O-CB 3.22Å; V381-L385 PolarHBondContact O-N 3.48Å; V381-V436 HydrophobicContact CG1-CG1 3.95Å; V381-L437 HydrophobicContact CG1-CD2 4.27Å; V381-E440 HydrophobicContact CG2-CG 4.15Å; V381-E440 WeakPolarHBondContact CG2-OE1 3.14Å; V381-E440 WeakPolarHBondContact CG2-OE2 3.35Å
382N98.5Very high97.6Very high0 Ų045.4 Ų45.40%025%0.249CC..Hα-helixtrans-75.7-35.9-177.1-75-79.6000111.9R374 L375 S378 N379 K380 L385 L386 F406 L408R374-N382 WeakPolarHBondContact CA-OD1 3.45Å; R374-N382 VanDerWaalsContact CB-OD1 3.27Å; R374-N382 WeakPolarHBondContact CB-OD1 3.33Å; R374-N382 PolarHBondContact NH2-ND2 3.43Å; L375-N382 PolarHBondContact N-OD1 3.49Å; L375-N382 PolarHBondContact O-ND2 2.86Å; S378-N382 PolarHBondContact O-ND2 2.95Å; N379-N382 WeakPolarHBondContact O-CB 3.34Å; N379-N382 PolarHBondContact O-N 2.88Å; K380-N382 VanDerWaalsContact C-N 3.28Å; K380-N382 PolarHBondContact O-N 3.1Å; N382-L385 PolarHBondContact O-N 3.25Å; N382-L386 WeakPolarHBondContact O-CB 3.23Å; N382-L386 PolarHBondContact O-N 3Å; N382-F406 HydrophobicContact CB-CD1 3.74Å; N382-F406 HydrophobicContact CB-CE1 4.36Å; N382-L408 HydrophobicContact CB-CD1 3.83Å
383E98.4Very high97.2Very high84 Ų8447.7 Ų47.739%0.39326%0.258SS..Hα-helixtrans-60.3-47.2169.2-71.7166.6-157.200111.1N379 K380 L386 Q387 F406N379-E383 PolarHBondContact O-N 3.19Å; K380-E383 PolarHBondContact O-N 3.45Å; E383-L386 PolarHBondContact O-N 3.49Å; E383-Q387 WeakPolarHBondContact O-CB 3.35Å; E383-Q387 PolarHBondContact O-N 3.29Å; E383-F406 HydrophobicContact CB-CZ 4.45Å; E383-F406 HydrophobicContact CG-CD1 4.1Å; E383-F406 HydrophobicContact CG-CD2 3.78Å; E383-F406 HydrophobicContact CG-CE1 3.94Å; E383-F406 HydrophobicContact CG-CE2 3.62Å; E383-F406 HydrophobicContact CG-CG 4.01Å; E383-F406 HydrophobicContact CG-CZ 3.68Å
384A98.1Very high96.9Very high33 Ų3354.5 Ų54.527%0.27329%0.288SS..Hα-helixtrans-62.9-42.7176.800000112.2K380 V381 Q387 R388 V436K380-A384 WeakPolarHBondContact O-CB 3.43Å; K380-A384 PolarHBondContact O-N 2.99Å; V381-A384 PolarHBondContact O-N 3.23Å; A384-Q387 PolarHBondContact O-N 3.47Å; A384-R388 WeakPolarHBondContact O-CG 3.22Å; A384-R388 PolarHBondContact O-N 2.94Å; A384-V436 HydrophobicContact CB-CG1 4.11Å
385L98.6Very high96.8Very high0 Ų055.4 Ų55.40%029%0.293CS..Hα-helixtrans-60.3-49.7175176.259.7000111.2F360 L375 V381 N382 Q387 R388 I389 L408 L432 A433 V436F360-L385 HydrophobicContact CE1-CD2 3.97Å; F360-L385 HydrophobicContact CZ-CD2 4.46Å; L375-L385 HydrophobicContact CD1-CB 4.36Å; L375-L385 HydrophobicContact CD1-CD2 3.7Å; L375-L385 HydrophobicContact CG-CD2 3.91Å; V381-L385 WeakPolarHBondContact O-CB 3.22Å; V381-L385 PolarHBondContact O-N 3.48Å; N382-L385 PolarHBondContact O-N 3.25Å; L385-Q387 VanDerWaalsContact C-N 3.32Å; L385-Q387 PolarHBondContact O-N 3.36Å; L385-R388 PolarHBondContact O-N 3.3Å; L385-I389 HydrophobicContact CD1-CD1 3.79Å; L385-I389 HydrophobicContact CD1-CG1 4.09Å; L385-I389 HydrophobicContact CD2-CD1 4.4Å; L385-I389 HydrophobicContact CG-CD1 3.71Å; L385-I389 HydrophobicContact CG-CG1 4.43Å; L385-I389 VanDerWaalsContact O-CG1 3.28Å; L385-I389 WeakPolarHBondContact O-CG1 3.27Å; L385-I389 PolarHBondContact O-N 3.22Å; L385-L408 HydrophobicContact CD2-CD2 4Å; L385-L408 HydrophobicContact CG-CD2 4.14Å; L385-L432 HydrophobicContact CD1-CB 3.99Å; L385-A433 HydrophobicContact CD1-CB 4.04Å; L385-A433 HydrophobicContact CD2-CB 4.36Å; L385-V436 HydrophobicContact CB-CG2 4.39Å
386L98.5Very high96.7Very high16 Ų1659.3 Ų59.38%0.08431%0.311CS..Hα-helixtrans-58.6-45.2177.7178.372.9000111.6N382 E383 R388 I389 N390 L397 P399 F406 L408N382-L386 WeakPolarHBondContact O-CB 3.23Å; N382-L386 PolarHBondContact O-N 3Å; E383-L386 PolarHBondContact O-N 3.49Å; L386-R388 VanDerWaalsContact C-N 3.32Å; L386-R388 PolarHBondContact O-N 3.33Å; L386-I389 PolarHBondContact O-N 2.99Å; L386-N390 PolarHBondContact O-N 2.93Å; L386-L397 HydrophobicContact CD1-CB 3.75Å; L386-L397 WeakPolarHBondContact CD1-O 3.23Å; L386-P399 HydrophobicContact CD2-CB 3.79Å; L386-P399 HydrophobicContact CD2-CG 3.54Å; L386-F406 HydrophobicContact CB-CE1 4.43Å; L386-F406 HydrophobicContact CD2-CE1 4.12Å; L386-F406 HydrophobicContact CD2-CZ 3.74Å; L386-L408 HydrophobicContact CB-CD2 4.45Å; L386-L408 HydrophobicContact CB-CG 4.41Å; L386-L408 HydrophobicContact CD1-CG 4.37Å
387Q97.8Very high96.7Very high136 Ų13654.3 Ų54.364%0.63629%0.29SS*.Hα-helixtrans-59-45.4178.7-175.5-178.92.300110.7E383 A384 L385 S391E383-Q387 WeakPolarHBondContact O-CB 3.35Å; E383-Q387 PolarHBondContact O-N 3.29Å; A384-Q387 PolarHBondContact O-N 3.47Å; L385-Q387 VanDerWaalsContact C-N 3.32Å; L385-Q387 PolarHBondContact O-N 3.36Å; Q387-S391 WeakPolarHBondContact O-CB 3.46Å; Q387-S391 PolarHBondContact O-N 3.03Å; Q387-S391 PolarHBondContact O-OG 3.32Å
388R97.8Very high96.7Very high97 Ų9754.7 Ų54.737%0.36628%0.281SS..Hα-helixtrans-64.9-42.5177.2-71.1-170.8-170.6-1493.5112.3A384 L385 L386 S391 A392 L432 V436A384-R388 WeakPolarHBondContact O-CG 3.22Å; A384-R388 PolarHBondContact O-N 2.94Å; L385-R388 PolarHBondContact O-N 3.3Å; L386-R388 VanDerWaalsContact C-N 3.32Å; L386-R388 PolarHBondContact O-N 3.33Å; R388-S391 PolarHBondContact O-N 2.95Å; R388-A392 WeakPolarHBondContact O-CB 3.34Å; R388-A392 PolarHBondContact O-N 3.38Å; R388-L432 HydrophobicContact CB-CD1 4.41Å; R388-L432 HydrophobicContact CB-CD2 4.19Å; R388-V436 HydrophobicContact CG-CG2 4.48Å
389I97.9Very high96.8Very high0 Ų054.5 Ų54.50%028%0.278CS..Hα-helixtrans-58.2-53.3177-71.7166.1000110.7L385 L386 S391 A392 K393 I395 L397 L408 I429 L432L385-I389 HydrophobicContact CD1-CD1 3.79Å; L385-I389 HydrophobicContact CD1-CG1 4.09Å; L385-I389 HydrophobicContact CD2-CD1 4.4Å; L385-I389 HydrophobicContact CG-CD1 3.71Å; L385-I389 HydrophobicContact CG-CG1 4.43Å; L385-I389 VanDerWaalsContact O-CG1 3.28Å; L385-I389 WeakPolarHBondContact O-CG1 3.27Å; L385-I389 PolarHBondContact O-N 3.22Å; L386-I389 PolarHBondContact O-N 2.99Å; I389-S391 VanDerWaalsContact C-N 3.34Å; I389-S391 PolarHBondContact O-N 3.36Å; I389-A392 PolarHBondContact O-N 3.47Å; I389-K393 PolarHBondContact O-N 2.92Å; I389-I395 HydrophobicContact CG2-CD1 3.72Å; I389-I395 HydrophobicContact CG2-CG1 3.43Å; I389-I395 VanDerWaalsContact CG2-CG1 3.43Å; I389-L397 HydrophobicContact CD1-CD1 3.92Å; I389-L397 HydrophobicContact CG2-CD1 4.13Å; I389-L397 HydrophobicContact CG2-CG 4.13Å; I389-L408 HydrophobicContact CD1-CD2 3.95Å; I389-I429 HydrophobicContact CD1-CG1 3.94Å; I389-I429 HydrophobicContact CD1-CG2 4.42Å; I389-I429 HydrophobicContact CG1-CG1 4.49Å; I389-L432 HydrophobicContact CB-CD1 4.23Å; I389-L432 HydrophobicContact CG1-CD1 3.65Å
390N96.8Very high96.7Very high33 Ų3353 Ų5318%0.17627%0.271CS..Hα-helixtrans-69.4-33-177.6-76.2-20.7000112L386 K393 H396 L397L386-N390 PolarHBondContact O-N 2.93Å; N390-K393 PolarHBondContact O-N 3.23Å; N390-H396 WeakPolarHBondContact OD1-CA 3.39Å; N390-H396 PolarHBondContact OD1-ND1 3.24Å; N390-L397 PolarHBondContact ND2-O 3.01Å; N390-L397 PolarHBondContact OD1-N 2.99Å; N390-L397 PolarHBondContact OD1-O 2.82Å
391S94.4Very high96.6Very high76 Ų7650.3 Ų50.353%0.53126%0.261SS..Hα-helixtrans-69.7-32176.2-59.50000112.5Q387 R388 I389 K393Q387-S391 WeakPolarHBondContact O-CB 3.46Å; Q387-S391 PolarHBondContact O-N 3.03Å; Q387-S391 PolarHBondContact O-OG 3.32Å; R388-S391 PolarHBondContact O-N 2.95Å; I389-S391 VanDerWaalsContact C-N 3.34Å; I389-S391 PolarHBondContact O-N 3.36Å; S391-K393 WeakPolarHBondContact O-CG 3.45Å; S391-K393 PolarHBondContact O-N 3.16Å
392A94.5Very high96.5Very high39 Ų3950.4 Ų50.432%0.32226%0.261SS..Hα-helixtrans-69.5-16.8173.800000112.8R388 I389 K394 H428 L432R388-A392 WeakPolarHBondContact O-CB 3.34Å; R388-A392 PolarHBondContact O-N 3.38Å; I389-A392 PolarHBondContact O-N 3.47Å; A392-K394 PolarHBondContact O-N 2.59Å; A392-H428 WeakPolarHBondContact CB-NE2 3.3Å; A392-L432 HydrophobicContact CB-CD1 4.38Å
393K89.9Confident96.1Very high49 Ų4957.8 Ų57.821%0.21329%0.289CS..  trans59.58.2171.4-65.1151.6161.5177.60115.6Q28 D32 I389 N390 S391Q28-K393 HydrophobicContact CG-CB 3.72Å; Q28-K393 HydrophobicContact CG-CD 4.42Å; Q28-K393 HydrophobicContact CG-CG 4.3Å; D32-K393 IonicContact OD1-NZ 2.62Å; D32-K393 PolarHBondContact OD1-NZ 3Å; D32-K393 IonicContact OD2-NZ 2.6Å; D32-K393 PolarHBondContact OD2-NZ 3.28Å; D32-K393 VanDerWaalsContact OD2-NZ 3.11Å; I389-K393 PolarHBondContact O-N 2.92Å; N390-K393 PolarHBondContact O-N 3.23Å; S391-K393 WeakPolarHBondContact O-CG 3.45Å; S391-K393 PolarHBondContact O-N 3.16Å
394K93Very high95.9Very high144 Ų14459.7 Ų59.763%0.62630%0.302SS*.SBendtrans-79-35.3177-64.5-169.8-176.8177.50112.6A392A392-K394 PolarHBondContact O-N 2.59Å
395I96.5Very high95.8Very high26 Ų2662.5 Ų62.513%0.13331%0.308CS..SBendtrans-136.3163172.367.1178.3000108.4I389 L397 A425 I429I389-I395 HydrophobicContact CG2-CD1 3.72Å; I389-I395 HydrophobicContact CG2-CG1 3.43Å; I389-I395 VanDerWaalsContact CG2-CG1 3.43Å; I395-L397 HydrophobicContact CD1-CD1 4.47Å; I395-L397 HydrophobicContact CD1-CG 4.42Å; I395-A425 HydrophobicContact CD1-CB 4.27Å; I395-A425 HydrophobicContact CG2-CB 3.9Å; I395-I429 HydrophobicContact CD1-CD1 3.87Å; I395-I429 HydrophobicContact CD1-CG1 3.74Å
396H96.8Very high95.8Very high81 Ų8163.2 Ų63.238%0.37531%0.311SS..  trans-125.7125.2174.5-179.552.7000110.3V29 N390V29-H396 HydrophobicContact CG1-CB 3.91Å; N390-H396 WeakPolarHBondContact OD1-CA 3.39Å; N390-H396 PolarHBondContact OD1-ND1 3.24Å
397L97.7Very high95.8Very high6 Ų662.5 Ų62.53%0.03131%0.307CS..  trans-120.6152.9173.4-55.5-178.9000109.8F373 L386 I389 N390 I395 L408 F410 I429F373-L397 HydrophobicContact CE1-CD1 4.41Å; F373-L397 HydrophobicContact CZ-CD1 4.16Å; L386-L397 HydrophobicContact CD1-CB 3.75Å; L386-L397 WeakPolarHBondContact CD1-O 3.23Å; I389-L397 HydrophobicContact CD1-CD1 3.92Å; I389-L397 HydrophobicContact CG2-CD1 4.13Å; I389-L397 HydrophobicContact CG2-CG 4.13Å; N390-L397 PolarHBondContact ND2-O 3.01Å; N390-L397 PolarHBondContact OD1-N 2.99Å; N390-L397 PolarHBondContact OD1-O 2.82Å; I395-L397 HydrophobicContact CD1-CD1 4.47Å; I395-L397 HydrophobicContact CD1-CG 4.42Å; L397-L408 HydrophobicContact CD1-CD2 4.15Å; L397-F410 HydrophobicContact CD2-CB 4.45Å; L397-F410 HydrophobicContact CD2-CD2 3.57Å; L397-F410 HydrophobicContact CD2-CE2 4.23Å; L397-F410 HydrophobicContact CD2-CG 4.37Å; L397-I429 HydrophobicContact CD1-CD1 4.25Å
398V95.4Very high95.8Very high65 Ų6556 Ų5639%0.39428%0.277SS..EExtended strand (participates in β ladder)trans-121.2138.6176.5-179.90000108R409V398-R409 WeakPolarHBondContact O-CB 3.26Å; V398-R409 PolarHBondContact O-N 3.34Å; V398-R409 VanDerWaalsContact O-N 3.17Å
399P97.7Very high95.9Very high49 Ų4953.8 Ų53.832%0.31827%0.269SS..EExtended strand (participates in β ladder)trans-83.7168.9178.731.6-28.8000112.5L386 F406 V407L386-P399 HydrophobicContact CD2-CB 3.79Å; L386-P399 HydrophobicContact CD2-CG 3.54Å; P399-F406 HydrophobicContact CB-CD1 4.5Å; P399-F406 HydrophobicContact CB-CD2 4.49Å; P399-F406 HydrophobicContact CB-CE1 3.71Å; P399-F406 HydrophobicContact CB-CE2 3.68Å; P399-F406 HydrophobicContact CB-CZ 3.24Å; P399-F406 HydrophobicContact CG-CE2 4.07Å; P399-F406 HydrophobicContact CG-CZ 3.74Å; P399-V407 CarbonylContact C-O 3.52Å; P399-V407 VanDerWaalsContact CA-O 3.23Å; P399-V407 WeakPolarHBondContact CA-O 3.43Å
400C97.1Very high95.9Very high14 Ų1454.8 Ų54.810%0.09527%0.273CS..EExtended strand (participates in β ladder)trans-141.2173.915664.30000110.5T209 V407 R409T209-C400 HydrophobicContact CG2-CB 4.38Å; T209-C400 PolarHBondContact O-SG 2.79Å; T209-C400 VanDerWaalsContact O-SG 3.35Å; C400-V407 PolarHBondContact N-O 3.12Å; C400-V407 PolarHBondContact O-N 3.01Å; C400-R409 HydrophobicContact CB-CG 4.43Å; C400-R409 VanDerWaalsContact SG-CD 3.59Å
401H96.1Very high96Very high105 Ų10555.5 Ų55.549%0.48628%0.283SS..EExtended strand (participates in β ladder)trans-108127.8166.3-73.883.2000109.4K405 F406H401-K405 CarbonylContact C-O 3.6Å; H401-K405 VanDerWaalsContact CA-O 3.32Å; H401-K405 WeakPolarHBondContact CA-O 3.32Å; H401-F406 AromaticContact CE1-CD2 3.71Å; H401-F406 AromaticContact NE2-CD2 3.72Å
402L94.5Very high96.2Very high6 Ų652.2 Ų52.23%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-106.396167.4-62.4-173.3000107.3F177 C210 C363 V364 D404 K405 V407F177-L402 HydrophobicContact CE1-CB 4Å; F177-L402 HydrophobicContact CE1-CD2 4.31Å; F177-L402 HydrophobicContact CE2-CD1 4.24Å; F177-L402 HydrophobicContact CZ-CB 3.75Å; F177-L402 HydrophobicContact CZ-CD1 4.23Å; F177-L402 HydrophobicContact CZ-CD2 4.37Å; F177-L402 HydrophobicContact CZ-CG 4.33Å; C210-L402 HydrophobicContact CB-CD1 4.3Å; C210-L402 HydrophobicContact CB-CD2 3.74Å; C363-L402 HydrophobicContact CB-CD1 3.86Å; V364-L402 HydrophobicContact CG1-CD1 4.13Å; L402-D404 PolarHBondContact O-N 3.29Å; L402-K405 PolarHBondContact N-O 3.22Å; L402-K405 WeakPolarHBondContact O-CB 3.27Å; L402-K405 PolarHBondContact O-N 2.97Å; L402-V407 HydrophobicContact CB-CG2 4.25Å; L402-V407 HydrophobicContact CD1-CG1 4.42Å; L402-V407 HydrophobicContact CD1-CG2 4.06Å; L402-V407 HydrophobicContact CG-CB 4.46Å; L402-V407 HydrophobicContact CG-CG2 4.01Å
403R91Very high96.2Very high155 Ų15554.7 Ų54.759%0.58527%0.274SS*.THydrogen-bonded Turntrans55.1-117.6-164.2-59.9170.3-174.9158.81.7110.1D174 F177D174-R403 PolarHBondContact O-NH2 2.74Å; F177-R403 HydrophobicContact CE1-CG 4.19Å
404D93.4Very high96.3Very high123 Ų12355.1 Ų55.166%0.65828%0.283SS*.THydrogen-bonded Turntrans-87.8-0.6-179.664.4-43.4000113.6N379 L402N379-D404 PolarHBondContact ND2-O 2.75Å; L402-D404 PolarHBondContact O-N 3.29Å
405K96.5Very high96.3Very high92 Ų9253.6 Ų53.640%0.427%0.273SS..EExtended strand (participates in β ladder)trans-97.2123.3-175.3-69-168.9178.6-171.10112.3R374 H401 L402 V407R374-K405 VanDerWaalsContact NH1-CG 3.31Å; H401-K405 CarbonylContact C-O 3.6Å; H401-K405 VanDerWaalsContact CA-O 3.32Å; H401-K405 WeakPolarHBondContact CA-O 3.32Å; L402-K405 PolarHBondContact N-O 3.22Å; L402-K405 WeakPolarHBondContact O-CB 3.27Å; L402-K405 PolarHBondContact O-N 2.97Å; K405-V407 HydrophobicContact CB-CG2 4.25Å
406F98.4Very high96.2Very high16 Ų1654.9 Ų54.97%0.0728%0.283CS..EExtended strand (participates in β ladder)trans-76.9125.7168.2-171-82.6000110.1N379 N382 E383 L386 P399 H401 L408N379-F406 HydrophobicContact CB-CB 3.72Å; N379-F406 PolarHBondContact OD1-N 3.03Å; N382-F406 HydrophobicContact CB-CD1 3.74Å; N382-F406 HydrophobicContact CB-CE1 4.36Å; E383-F406 HydrophobicContact CB-CZ 4.45Å; E383-F406 HydrophobicContact CG-CD1 4.1Å; E383-F406 HydrophobicContact CG-CD2 3.78Å; E383-F406 HydrophobicContact CG-CE1 3.94Å; E383-F406 HydrophobicContact CG-CE2 3.62Å; E383-F406 HydrophobicContact CG-CG 4.01Å; E383-F406 HydrophobicContact CG-CZ 3.68Å; L386-F406 HydrophobicContact CB-CE1 4.43Å; L386-F406 HydrophobicContact CD2-CE1 4.12Å; L386-F406 HydrophobicContact CD2-CZ 3.74Å; P399-F406 HydrophobicContact CB-CD1 4.5Å; P399-F406 HydrophobicContact CB-CD2 4.49Å; P399-F406 HydrophobicContact CB-CE1 3.71Å; P399-F406 HydrophobicContact CB-CE2 3.68Å; P399-F406 HydrophobicContact CB-CZ 3.24Å; P399-F406 HydrophobicContact CG-CE2 4.07Å; P399-F406 HydrophobicContact CG-CZ 3.74Å; H401-F406 AromaticContact CE1-CD2 3.71Å; H401-F406 AromaticContact NE2-CD2 3.72Å; F406-L408 HydrophobicContact CD1-CD1 4.36Å; F406-L408 HydrophobicContact CE1-CD1 4.22Å
407V98.4Very high96.3Very high0 Ų051.8 Ų51.80%027%0.269CS..EExtended strand (participates in β ladder)trans-132.7139.6-169.8177.80000110.6C363 C372 P399 C400 L402 K405C363-V407 HydrophobicContact CB-CG1 4.12Å; C363-V407 HydrophobicContact CB-CG2 4.19Å; C372-V407 HydrophobicContact CB-CG1 3.75Å; P399-V407 CarbonylContact C-O 3.52Å; P399-V407 VanDerWaalsContact CA-O 3.23Å; P399-V407 WeakPolarHBondContact CA-O 3.43Å; C400-V407 PolarHBondContact N-O 3.12Å; C400-V407 PolarHBondContact O-N 3.01Å; L402-V407 HydrophobicContact CB-CG2 4.25Å; L402-V407 HydrophobicContact CD1-CG1 4.42Å; L402-V407 HydrophobicContact CD1-CG2 4.06Å; L402-V407 HydrophobicContact CG-CB 4.46Å; L402-V407 HydrophobicContact CG-CG2 4.01Å; K405-V407 HydrophobicContact CB-CG2 4.25Å
408L98.8Very high96.3Very high0 Ų055.7 Ų55.70%029%0.287CS..EExtended strand (participates in β ladder)trans-89.7139.2175-73.569.1000109.6C372 F373 N382 L385 L386 I389 L397 F406C372-L408 WeakPolarHBondContact CA-O 2.98Å; F373-L408 HydrophobicContact CD1-CB 4.19Å; F373-L408 WeakPolarHBondContact CD1-O 3.32Å; F373-L408 HydrophobicContact CE1-CB 3.72Å; F373-L408 HydrophobicContact CE2-CD2 4.46Å; F373-L408 HydrophobicContact CZ-CB 3.92Å; F373-L408 HydrophobicContact CZ-CD2 4.08Å; F373-L408 PolarHBondContact N-O 3.31Å; F373-L408 PolarHBondContact O-N 3.05Å; N382-L408 HydrophobicContact CB-CD1 3.83Å; L385-L408 HydrophobicContact CD2-CD2 4Å; L385-L408 HydrophobicContact CG-CD2 4.14Å; L386-L408 HydrophobicContact CB-CD2 4.45Å; L386-L408 HydrophobicContact CB-CG 4.41Å; L386-L408 HydrophobicContact CD1-CG 4.37Å; I389-L408 HydrophobicContact CD1-CD2 3.95Å; L397-L408 HydrophobicContact CD1-CD2 4.15Å; F406-L408 HydrophobicContact CD1-CD1 4.36Å; F406-L408 HydrophobicContact CE1-CD1 4.22Å
409R98.8Very high96.4Very high51 Ų5154.9 Ų54.919%0.19229%0.285CS..EExtended strand (participates in β ladder)trans-111.8118.8-179.1-63.4169.864.8-112.41.2110.8T208 T209 L370 V398 C400T208-R409 VanDerWaalsContact O-CZ 3.22Å; T208-R409 PolarHBondContact O-NE 2.87Å; T208-R409 PolarHBondContact O-NH2 3.13Å; T209-R409 WeakPolarHBondContact O-CD 3.11Å; T209-R409 PolarHBondContact O-NE 2.9Å; T209-R409 VanDerWaalsContact O-NE 3.13Å; L370-R409 HydrophobicContact CD1-CB 3.79Å; L370-R409 HydrophobicContact CD1-CG 4.33Å; V398-R409 WeakPolarHBondContact O-CB 3.26Å; V398-R409 PolarHBondContact O-N 3.34Å; V398-R409 VanDerWaalsContact O-N 3.17Å; C400-R409 HydrophobicContact CB-CG 4.43Å; C400-R409 VanDerWaalsContact SG-CD 3.59Å
410F98.7Very high96.5Very high20 Ų2055 Ų559%0.08829%0.29CS..EExtended strand (participates in β ladder)trans-105102.1174.1-164.3-88.8000109.8F350 V371 F373 L397 I412 A425 I429F350-F410 HydrophobicContact CB-CD1 4.32Å; F350-F410 HydrophobicContact CB-CE1 4.34Å; F350-F410 HydrophobicContact CD1-CB 3.96Å; F350-F410 AromaticContact CD1-CD1 3.77Å; F350-F410 HydrophobicContact CD1-CD1 3.77Å; F350-F410 HydrophobicContact CD1-CE1 4.43Å; F350-F410 AromaticContact CD1-CG 3.86Å; F350-F410 HydrophobicContact CD1-CG 3.86Å; F350-F410 AromaticContact CD2-CD1 3.98Å; F350-F410 HydrophobicContact CD2-CD1 3.98Å; F350-F410 HydrophobicContact CD2-CD2 4.3Å; F350-F410 AromaticContact CD2-CE1 3.84Å; F350-F410 HydrophobicContact CD2-CE1 3.84Å; F350-F410 HydrophobicContact CD2-CE2 4.21Å; F350-F410 HydrophobicContact CD2-CG 4.21Å; F350-F410 AromaticContact CD2-CZ 3.99Å; F350-F410 HydrophobicContact CD2-CZ 3.99Å; F350-F410 HydrophobicContact CE1-CB 3.51Å; F350-F410 HydrophobicContact CE1-CD1 4.03Å; F350-F410 HydrophobicContact CE1-CD2 4.07Å; F350-F410 AromaticContact CE1-CG 3.61Å; F350-F410 HydrophobicContact CE1-CG 3.61Å; F350-F410 HydrophobicContact CE2-CD1 4.22Å; F350-F410 AromaticContact CE2-CD2 3.75Å; F350-F410 HydrophobicContact CE2-CD2 3.75Å; F350-F410 HydrophobicContact CE2-CE1 4.25Å; F350-F410 AromaticContact CE2-CE2 3.82Å; F350-F410 HydrophobicContact CE2-CE2 3.82Å; F350-F410 AromaticContact CE2-CG 3.97Å; F350-F410 HydrophobicContact CE2-CG 3.97Å; F350-F410 HydrophobicContact CE2-CZ 4.08Å; F350-F410 AromaticContact CG-CD1 3.74Å; F350-F410 HydrophobicContact CG-CD1 3.74Å; F350-F410 AromaticContact CG-CE1 3.94Å; F350-F410 HydrophobicContact CG-CE1 3.94Å; F350-F410 HydrophobicContact CG-CG 4.15Å; F350-F410 HydrophobicContact CZ-CB 3.93Å; F350-F410 HydrophobicContact CZ-CD1 4.25Å; F350-F410 AromaticContact CZ-CD2 3.62Å; F350-F410 HydrophobicContact CZ-CD2 3.62Å; F350-F410 HydrophobicContact CZ-CE2 4.18Å; F350-F410 AromaticContact CZ-CG 3.67Å; F350-F410 HydrophobicContact CZ-CG 3.67Å; V371-F410 HydrophobicContact CB-CB 4.36Å; V371-F410 PolarHBondContact N-O 3.34Å; V371-F410 PolarHBondContact O-N 3.03Å; F373-F410 HydrophobicContact CD1-CB 4.43Å; F373-F410 HydrophobicContact CE1-CB 4.01Å; L397-F410 HydrophobicContact CD2-CB 4.45Å; L397-F410 HydrophobicContact CD2-CD2 3.57Å; L397-F410 HydrophobicContact CD2-CE2 4.23Å; L397-F410 HydrophobicContact CD2-CG 4.37Å; F410-I412 HydrophobicContact CD1-CD1 3.92Å; F410-I412 HydrophobicContact CE1-CD1 3.5Å; F410-A425 HydrophobicContact CE2-CB 3.8Å; F410-A425 HydrophobicContact CZ-CB 3.87Å; F410-I429 HydrophobicContact CD2-CD1 4.3Å; F410-I429 HydrophobicContact CE2-CD1 4.34Å
411A98.3Very high96.5Very high48 Ų4856.7 Ų56.740%0.39730%0.296SS..EExtended strand (participates in β ladder)trans-104.9127-17900000111.3G369 L370 C413G369-A411 WeakPolarHBondContact O-CA 3.37Å; L370-A411 HydrophobicContact CD1-CB 4.17Å; A411-C413 PolarHBondContact O-N 3.28Å; A411-C413 PolarHBondContact O-SG 3.46Å
412I98.3Very high96.7Very high7 Ų751.8 Ų51.84%0.03627%0.273CS..  trans-77.8103176.9-52.1-62.2000109.9H343 L346 G369 F410 V417 V422H343-I412 HydrophobicContact CB-CB 4.3Å; H343-I412 HydrophobicContact CB-CG2 3.92Å; H343-I412 PolarHBondContact ND1-O 3.3Å; L346-I412 HydrophobicContact CB-CD1 4.2Å; L346-I412 HydrophobicContact CB-CG1 4.32Å; L346-I412 HydrophobicContact CB-CG2 4.28Å; L346-I412 HydrophobicContact CD1-CG2 4.32Å; G369-I412 PolarHBondContact O-N 3.32Å; F410-I412 HydrophobicContact CD1-CD1 3.92Å; F410-I412 HydrophobicContact CE1-CD1 3.5Å; I412-V417 HydrophobicContact CG2-CB 4.48Å; I412-V417 HydrophobicContact CG2-CG1 3.58Å; I412-V417 HydrophobicContact CG2-CG2 4.3Å; I412-V422 HydrophobicContact CD1-CG2 4.14Å
413C94.6Very high96.9Very high92 Ų9254.6 Ų54.662%0.62229%0.286SS*.  trans-107.1-59.4-167.3-62.20000115.1H343 A411H343-C413 PolarHBondContact CE1-O 3.18Å; A411-C413 PolarHBondContact O-N 3.28Å; A411-C413 PolarHBondContact O-SG 3.46Å
414S93.3Very high97.2Very high58 Ų5854.3 Ų54.341%0.40629%0.285SS..  trans-62.7142.7-168.1179.50000112.6H343 T416 V417H343-S414 PolarHBondContact CE1-O 3.26Å; H343-S414 PolarHBondContact NE2-O 2.91Å; S414-T416 PolarHBondContact O-N 2.83Å; S414-T416 PolarHBondContact OG-N 2.73Å; S414-T416 PolarHBondContact OG-OG1 3.08Å; S414-V417 WeakPolarHBondContact O-CB 3.35Å; S414-V417 WeakPolarHBondContact O-CG1 3.4Å; S414-V417 PolarHBondContact O-N 3Å
415R93.1Very high97.4Very high111 Ų11148.8 Ų48.842%0.41926%0.257SS..THydrogen-bonded Turntrans-61-29.3173.8-176.7179.758.772.6-0.2113.2L268 Y339L268-R415 HydrophobicContact CD2-CB 4.09Å; L268-R415 HydrophobicContact CD2-CG 3.86Å; Y339-R415 HydrophobicContact CE2-CB 4.38Å; Y339-R415 HydrophobicContact CE2-CG 4.2Å
416T94.5Very high97.5Very high54 Ų5444.6 Ų44.633%0.33124%0.238SC..THydrogen-bonded Turntrans-99.111.7-177.459.60000112.9S414S414-T416 PolarHBondContact O-N 2.83Å; S414-T416 PolarHBondContact OG-N 2.73Å; S414-T416 PolarHBondContact OG-OG1 3.08Å
417V97.1Very high97.5Very high16 Ų1647.8 Ų47.810%0.09725%0.253CS..  trans-62.1142.1177.169.70000110.5K342 L346 I412 S414 H421K342-V417 VanDerWaalsContact CE-O 3.28Å; K342-V417 WeakPolarHBondContact CE-O 3.49Å; K342-V417 PolarHBondContact NZ-O 3.25Å; L346-V417 HydrophobicContact CD1-CB 4.48Å; L346-V417 HydrophobicContact CD1-CG1 3.71Å; L346-V417 HydrophobicContact CD1-CG2 4.27Å; I412-V417 HydrophobicContact CG2-CB 4.48Å; I412-V417 HydrophobicContact CG2-CG1 3.58Å; I412-V417 HydrophobicContact CG2-CG2 4.3Å; S414-V417 WeakPolarHBondContact O-CB 3.35Å; S414-V417 WeakPolarHBondContact O-CG1 3.4Å; S414-V417 PolarHBondContact O-N 3Å; V417-H421 HydrophobicContact CG2-CB 4.07Å
418E98.1Very high97.5Very high88 Ų8848.5 Ų48.541%0.41126%0.257SS..  trans-138.6164.4-177.5-62.4-59.1159.900108.7K342 A420 H421 V422K342-E418 WeakPolarHBondContact CE-OE2 3.41Å; K342-E418 IonicContact NZ-OE1 2.85Å; K342-E418 PolarHBondContact NZ-OE1 3.17Å; K342-E418 IonicContact NZ-OE2 3.81Å; K342-E418 PolarHBondContact NZ-OE2 3.5Å; E418-A420 PolarHBondContact O-N 3.44Å; E418-H421 PolarHBondContact N-ND1 2.83Å; E418-H421 VanDerWaalsContact O-CB 3.27Å; E418-H421 WeakPolarHBondContact O-CB 3.23Å; E418-H421 PolarHBondContact O-N 3.04Å; E418-V422 PolarHBondContact O-N 3.39Å
419S98.6Very high97.5Very high48 Ų4848.5 Ų48.534%0.33626%0.257SS..Hα-helixtrans-52.4-41.9175.9163.50000112E349 H421 V422 Q423E349-S419 VanDerWaalsContact CD-OG 3.3Å; E349-S419 PolarHBondContact OE1-OG 3.16Å; E349-S419 VanDerWaalsContact OE2-CB 3.27Å; E349-S419 WeakPolarHBondContact OE2-CB 3.42Å; E349-S419 PolarHBondContact OE2-OG 2.92Å; S419-H421 PolarHBondContact O-N 3.11Å; S419-H421 VanDerWaalsContact O-N 3.13Å; S419-V422 WeakPolarHBondContact O-CB 3.43Å; S419-V422 PolarHBondContact O-N 3.38Å; S419-Q423 WeakPolarHBondContact O-CG 3.18Å; S419-Q423 PolarHBondContact O-N 3.29Å
420A98.3Very high97.5Very high51 Ų5148.5 Ų48.542%0.42126%0.258SS..Hα-helixtrans-56.8-32.7176.500000113.5E418 R424E418-A420 PolarHBondContact O-N 3.44Å; A420-R424 WeakPolarHBondContact O-CB 3.24Å; A420-R424 VanDerWaalsContact O-CG 3.25Å; A420-R424 WeakPolarHBondContact O-CG 3.07Å; A420-R424 PolarHBondContact O-N 3.5Å; A420-R424 PolarHBondContact O-NE 3.11Å
421H98.4Very high97.5Very high49 Ų4953 Ų5323%0.22728%0.279CS..Hα-helixtrans-69.3-43.3174.7-63.1110.7000111.8E25 V417 E418 S419 R424 A425E25-H421 IonicContact OE1-CE1 3.24Å; E25-H421 PolarHBondContact OE1-CE1 3.01Å; E25-H421 IonicContact OE1-NE2 2.88Å; E25-H421 PolarHBondContact OE1-NE2 2.7Å; E25-H421 IonicContact OE2-NE2 3.95Å; V417-H421 HydrophobicContact CG2-CB 4.07Å; E418-H421 PolarHBondContact N-ND1 2.83Å; E418-H421 VanDerWaalsContact O-CB 3.27Å; E418-H421 WeakPolarHBondContact O-CB 3.23Å; E418-H421 PolarHBondContact O-N 3.04Å; S419-H421 PolarHBondContact O-N 3.11Å; S419-H421 VanDerWaalsContact O-N 3.13Å; H421-R424 PolarHBondContact CD2-NH2 2.79Å; H421-R424 PolarHBondContact NE2-NH2 3.02Å; H421-R424 VanDerWaalsContact NE2-NH2 3.1Å; H421-R424 PolarHBondContact O-N 3.39Å; H421-A425 WeakPolarHBondContact O-CB 3.47Å; H421-A425 PolarHBondContact O-N 3.31Å
422V98.8Very high97.5Very high2 Ų251.8 Ų51.81%0.01227%0.266CS..Hα-helixtrans-63.8-46.6178.2177.70000110.7L346 F350 L353 I412 E418 S419 A425 W426L346-V422 HydrophobicContact CB-CG2 4.15Å; L346-V422 HydrophobicContact CD2-CG2 4.09Å; F350-V422 HydrophobicContact CB-CG1 3.68Å; F350-V422 HydrophobicContact CD2-CG1 3.94Å; F350-V422 HydrophobicContact CG-CG1 4.29Å; L353-V422 HydrophobicContact CD1-CG1 4.31Å; I412-V422 HydrophobicContact CD1-CG2 4.14Å; E418-V422 PolarHBondContact O-N 3.39Å; S419-V422 WeakPolarHBondContact O-CB 3.43Å; S419-V422 PolarHBondContact O-N 3.38Å; V422-A425 PolarHBondContact O-N 2.9Å; V422-W426 WeakPolarHBondContact O-CB 3.2Å; V422-W426 PolarHBondContact O-N 3.39Å
423Q98.6Very high97.5Very high65 Ų6551.4 Ų51.430%0.30426%0.264SS..Hα-helixtrans-60.2-49177.2-65.7-69.3-6.500111.4E349 S419 A425 W426 E427E349-Q423 PolarHBondContact OE1-NE2 2.8Å; S419-Q423 WeakPolarHBondContact O-CG 3.18Å; S419-Q423 PolarHBondContact O-N 3.29Å; Q423-A425 VanDerWaalsContact C-N 3.33Å; Q423-A425 PolarHBondContact O-N 3.37Å; Q423-W426 PolarHBondContact O-N 2.88Å; Q423-E427 WeakPolarHBondContact O-CG 3.49Å; Q423-E427 PolarHBondContact O-N 3.48Å
424R98.3Very high97.6Very high149 Ų14948.4 Ų48.456%0.56225%0.246SC*.Hα-helixtrans-60.4-41.2176.7-76.3-171.7-65.7-128.89.1112.6A420 H421 W426 H428A420-R424 WeakPolarHBondContact O-CB 3.24Å; A420-R424 VanDerWaalsContact O-CG 3.25Å; A420-R424 WeakPolarHBondContact O-CG 3.07Å; A420-R424 PolarHBondContact O-N 3.5Å; A420-R424 PolarHBondContact O-NE 3.11Å; H421-R424 PolarHBondContact CD2-NH2 2.79Å; H421-R424 PolarHBondContact NE2-NH2 3.02Å; H421-R424 VanDerWaalsContact NE2-NH2 3.1Å; H421-R424 PolarHBondContact O-N 3.39Å; R424-W426 VanDerWaalsContact C-N 3.35Å; R424-H428 WeakPolarHBondContact O-CB 3.33Å; R424-H428 PolarHBondContact O-N 2.94Å; R424-H428 VanDerWaalsContact O-N 3.12Å
425A98.4Very high97.7Very high7 Ų748.3 Ų48.36%0.05824%0.241CC..Hα-helixtrans-63.7-42.5176.600000111.4I395 F410 H421 V422 Q423 H428 I429I395-A425 HydrophobicContact CD1-CB 4.27Å; I395-A425 HydrophobicContact CG2-CB 3.9Å; F410-A425 HydrophobicContact CE2-CB 3.8Å; F410-A425 HydrophobicContact CZ-CB 3.87Å; H421-A425 WeakPolarHBondContact O-CB 3.47Å; H421-A425 PolarHBondContact O-N 3.31Å; V422-A425 PolarHBondContact O-N 2.9Å; Q423-A425 VanDerWaalsContact C-N 3.33Å; Q423-A425 PolarHBondContact O-N 3.37Å; A425-H428 PolarHBondContact O-N 3.31Å; A425-I429 WeakPolarHBondContact O-CD1 3.4Å; A425-I429 VanDerWaalsContact O-CG1 3.24Å; A425-I429 WeakPolarHBondContact O-CG1 3.22Å; A425-I429 PolarHBondContact O-N 3.08Å
426W98.8Very high97.9Very high5 Ų543.2 Ų43.22%0.01922%0.222CC..Hα-helixtrans-65.9-45.2178.1177.9-120.7000113.2F350 L353 V354 D357 F360 F373 V422 Q423 R424 H428 I429 K430F350-W426 HydrophobicContact CD2-CB 4.39Å; F350-W426 HydrophobicContact CE2-CB 4.2Å; F350-W426 HydrophobicContact CE2-CD2 4.45Å; F350-W426 AromaticContact CE2-CE3 3.78Å; F350-W426 HydrophobicContact CE2-CE3 3.78Å; F350-W426 HydrophobicContact CZ-CE3 4.04Å; F350-W426 HydrophobicContact CZ-CZ3 4.44Å; L353-W426 HydrophobicContact CB-CD2 4.19Å; L353-W426 HydrophobicContact CB-CG 3.91Å; L353-W426 HydrophobicContact CD1-CB 3.96Å; L353-W426 HydrophobicContact CD1-CG 4.02Å; L353-W426 HydrophobicContact CG-CG 4.47Å; L353-W426 WeakPolarHBondContact O-CZ2 3.44Å; V354-W426 HydrophobicContact CB-CH2 4.17Å; V354-W426 HydrophobicContact CB-CZ3 4.37Å; V354-W426 HydrophobicContact CG1-CH2 4.41Å; V354-W426 HydrophobicContact CG2-CE3 4.01Å; V354-W426 HydrophobicContact CG2-CH2 3.89Å; V354-W426 HydrophobicContact CG2-CZ3 3.59Å; D357-W426 HydrophobicContact CB-CH2 4.29Å; D357-W426 HydrophobicContact CB-CZ2 3.76Å; F360-W426 HydrophobicContact CD1-CH2 4.38Å; F360-W426 AromaticContact CD2-CH2 3.64Å; F360-W426 HydrophobicContact CD2-CH2 3.64Å; F360-W426 HydrophobicContact CD2-CZ2 4.43Å; F360-W426 HydrophobicContact CE1-CH2 4.42Å; F360-W426 HydrophobicContact CE1-CZ3 4.42Å; F360-W426 AromaticContact CE2-CH2 3.7Å; F360-W426 HydrophobicContact CE2-CH2 3.7Å; F360-W426 HydrophobicContact CE2-CZ2 4.47Å; F360-W426 HydrophobicContact CE2-CZ3 4.34Å; F360-W426 AromaticContact CG-CH2 3.98Å; F360-W426 HydrophobicContact CG-CH2 3.98Å; F360-W426 HydrophobicContact CZ-CH2 4.07Å; F360-W426 HydrophobicContact CZ-CZ3 4.27Å; F373-W426 HydrophobicContact CE2-CZ3 4.37Å; V422-W426 WeakPolarHBondContact O-CB 3.2Å; V422-W426 PolarHBondContact O-N 3.39Å; Q423-W426 PolarHBondContact O-N 2.88Å; R424-W426 VanDerWaalsContact C-N 3.35Å; W426-H428 VanDerWaalsContact C-N 3.27Å; W426-H428 PolarHBondContact O-N 3.34Å; W426-I429 HydrophobicContact CE3-CB 4.13Å; W426-I429 HydrophobicContact CE3-CD1 4.4Å; W426-I429 HydrophobicContact CE3-CG2 4.07Å; W426-I429 HydrophobicContact CZ3-CB 4.41Å; W426-I429 HydrophobicContact CZ3-CG2 3.84Å; W426-I429 PolarHBondContact O-N 3.19Å; W426-I429 VanDerWaalsContact O-N 3.14Å; W426-K430 HydrophobicContact CD2-CD 4.44Å; W426-K430 HydrophobicContact CD2-CG 4.06Å; W426-K430 HydrophobicContact CH2-CG 4.13Å; W426-K430 HydrophobicContact CZ2-CD 3.85Å; W426-K430 HydrophobicContact CZ2-CG 3.61Å; W426-K430 PolarHBondContact O-N 3.21Å
427E98.6Very high97.9Very high82 Ų8242 Ų4238%0.38321%0.214SC..Hα-helixtrans-56.2-45.1174.3-69.7-51137.900111.1Q423 I429 K430 E431Q423-E427 WeakPolarHBondContact O-CG 3.49Å; Q423-E427 PolarHBondContact O-N 3.48Å; E427-I429 VanDerWaalsContact C-N 3.35Å; E427-I429 PolarHBondContact O-N 2.9Å; E427-K430 VanDerWaalsContact CD-CE 3.4Å; E427-K430 PolarHBondContact O-N 3.23Å; E427-K430 VanDerWaalsContact OE1-CE 3.26Å; E427-K430 WeakPolarHBondContact OE1-CE 3.29Å; E427-K430 IonicContact OE1-NZ 2.92Å; E427-K430 PolarHBondContact OE1-NZ 3.42Å; E427-K430 WeakPolarHBondContact OE2-CE 3.46Å; E427-K430 IonicContact OE2-NZ 3.14Å; E427-K430 PolarHBondContact OE2-NZ 3.31Å; E427-E431 WeakPolarHBondContact O-CG 3.49Å; E427-E431 PolarHBondContact O-N 3.04Å
428H98.3Very high97.7Very high16 Ų1648.1 Ų48.17%0.07424%0.235CC..Hα-helixtrans-62-40177.2-17245.4000113.1A392 R424 A425 W426 L432A392-H428 WeakPolarHBondContact CB-NE2 3.3Å; R424-H428 WeakPolarHBondContact O-CB 3.33Å; R424-H428 PolarHBondContact O-N 2.94Å; R424-H428 VanDerWaalsContact O-N 3.12Å; A425-H428 PolarHBondContact O-N 3.31Å; W426-H428 VanDerWaalsContact C-N 3.27Å; W426-H428 PolarHBondContact O-N 3.34Å; H428-L432 WeakPolarHBondContact O-CG 3.47Å; H428-L432 PolarHBondContact O-N 3.34Å
429I98.8Very high97.1Very high0 Ų046.1 Ų46.10%023%0.233CC..Hα-helixtrans-63.5-44.2175.2-69.8162000110.7F350 F360 F373 I389 I395 L397 F410 A425 W426 E427 L432 A433F350-I429 HydrophobicContact CE2-CD1 3.99Å; F350-I429 HydrophobicContact CZ-CD1 3.98Å; F360-I429 HydrophobicContact CE1-CG2 4.12Å; F360-I429 HydrophobicContact CZ-CG2 3.97Å; F373-I429 HydrophobicContact CE2-CG2 4.04Å; F373-I429 HydrophobicContact CZ-CD1 4.08Å; F373-I429 HydrophobicContact CZ-CG2 4.37Å; I389-I429 HydrophobicContact CD1-CG1 3.94Å; I389-I429 HydrophobicContact CD1-CG2 4.42Å; I389-I429 HydrophobicContact CG1-CG1 4.49Å; I395-I429 HydrophobicContact CD1-CD1 3.87Å; I395-I429 HydrophobicContact CD1-CG1 3.74Å; L397-I429 HydrophobicContact CD1-CD1 4.25Å; F410-I429 HydrophobicContact CD2-CD1 4.3Å; F410-I429 HydrophobicContact CE2-CD1 4.34Å; A425-I429 WeakPolarHBondContact O-CD1 3.4Å; A425-I429 VanDerWaalsContact O-CG1 3.24Å; A425-I429 WeakPolarHBondContact O-CG1 3.22Å; A425-I429 PolarHBondContact O-N 3.08Å; W426-I429 HydrophobicContact CE3-CB 4.13Å; W426-I429 HydrophobicContact CE3-CD1 4.4Å; W426-I429 HydrophobicContact CE3-CG2 4.07Å; W426-I429 HydrophobicContact CZ3-CB 4.41Å; W426-I429 HydrophobicContact CZ3-CG2 3.84Å; W426-I429 PolarHBondContact O-N 3.19Å; W426-I429 VanDerWaalsContact O-N 3.14Å; E427-I429 VanDerWaalsContact C-N 3.35Å; E427-I429 PolarHBondContact O-N 2.9Å; I429-L432 PolarHBondContact O-N 2.99Å; I429-A433 VanDerWaalsContact O-CB 3.22Å; I429-A433 WeakPolarHBondContact O-CB 3.36Å; I429-A433 PolarHBondContact O-N 2.9Å
430K98.3Very high96.3Very high50 Ų5049.2 Ų49.222%0.21724%0.242CC..Hα-helixtrans-63.9-41.1179.8-77.6-170-65.3170.40112.9W426 E427 A434W426-K430 HydrophobicContact CD2-CD 4.44Å; W426-K430 HydrophobicContact CD2-CG 4.06Å; W426-K430 HydrophobicContact CH2-CG 4.13Å; W426-K430 HydrophobicContact CZ2-CD 3.85Å; W426-K430 HydrophobicContact CZ2-CG 3.61Å; W426-K430 PolarHBondContact O-N 3.21Å; E427-K430 VanDerWaalsContact CD-CE 3.4Å; E427-K430 PolarHBondContact O-N 3.23Å; E427-K430 VanDerWaalsContact OE1-CE 3.26Å; E427-K430 WeakPolarHBondContact OE1-CE 3.29Å; E427-K430 IonicContact OE1-NZ 2.92Å; E427-K430 PolarHBondContact OE1-NZ 3.42Å; E427-K430 WeakPolarHBondContact OE2-CE 3.46Å; E427-K430 IonicContact OE2-NZ 3.14Å; E427-K430 PolarHBondContact OE2-NZ 3.31Å; K430-A434 PolarHBondContact O-N 2.81Å
431E98.1Very high95.4Very high114 Ų11457 Ų5753%0.53326%0.261SS..Hα-helixtrans-59.9-54.5176.1-74.2172.9174.900110.3E427 A433 A434 D435E427-E431 WeakPolarHBondContact O-CG 3.49Å; E427-E431 PolarHBondContact O-N 3.04Å; E431-A433 VanDerWaalsContact C-N 3.29Å; E431-A433 PolarHBondContact O-N 3.09Å; E431-A434 WeakPolarHBondContact O-CB 3.49Å; E431-A434 PolarHBondContact O-N 2.98Å; E431-A434 VanDerWaalsContact O-N 3.07Å; E431-D435 PolarHBondContact O-N 3.22Å
432L98.3Very high93.9Very high23 Ų2364.8 Ų64.812%0.1230%0.297CS..Hα-helixtrans-63.9-35.2-179.7-68.5173.2000112.4L385 R388 I389 A392 H428 I429 A434 D435 V436L385-L432 HydrophobicContact CD1-CB 3.99Å; R388-L432 HydrophobicContact CB-CD1 4.41Å; R388-L432 HydrophobicContact CB-CD2 4.19Å; I389-L432 HydrophobicContact CB-CD1 4.23Å; I389-L432 HydrophobicContact CG1-CD1 3.65Å; A392-L432 HydrophobicContact CB-CD1 4.38Å; H428-L432 WeakPolarHBondContact O-CG 3.47Å; H428-L432 PolarHBondContact O-N 3.34Å; I429-L432 PolarHBondContact O-N 2.99Å; L432-A434 VanDerWaalsContact C-N 3.34Å; L432-D435 PolarHBondContact O-N 3.39Å; L432-V436 WeakPolarHBondContact O-CG2 3.46Å; L432-V436 PolarHBondContact O-N 3.2Å
433A98.1Very high93.6Very high0 Ų067.9 Ų67.90%031%0.312CS..Hα-helixtrans-64.8-37.1174.200000112.6F360 L375 L385 I429 E431 D435 V436 L437F360-A433 HydrophobicContact CE1-CB 4.45Å; F360-A433 HydrophobicContact CE2-CB 4.13Å; F360-A433 HydrophobicContact CZ-CB 3.52Å; L375-A433 HydrophobicContact CD1-CB 4.04Å; L375-A433 HydrophobicContact CD2-CB 4.18Å; L375-A433 HydrophobicContact CG-CB 4.5Å; L385-A433 HydrophobicContact CD1-CB 4.04Å; L385-A433 HydrophobicContact CD2-CB 4.36Å; I429-A433 VanDerWaalsContact O-CB 3.22Å; I429-A433 WeakPolarHBondContact O-CB 3.36Å; I429-A433 PolarHBondContact O-N 2.9Å; E431-A433 VanDerWaalsContact C-N 3.29Å; E431-A433 PolarHBondContact O-N 3.09Å; A433-D435 VanDerWaalsContact C-N 3.29Å; A433-D435 PolarHBondContact O-N 3.03Å; A433-V436 PolarHBondContact O-N 2.89Å; A433-L437 WeakPolarHBondContact O-CB 3.5Å; A433-L437 VanDerWaalsContact O-CG 3.27Å; A433-L437 WeakPolarHBondContact O-CG 3.22Å; A433-L437 PolarHBondContact O-N 3.23Å
434A97.2Very high93.4Very high29 Ų2968.1 Ų68.124%0.2431%0.312CS..Hα-helixtrans-62.5-39.7173.700000111.2K430 E431 L432 R438K430-A434 PolarHBondContact O-N 2.81Å; E431-A434 WeakPolarHBondContact O-CB 3.49Å; E431-A434 PolarHBondContact O-N 2.98Å; E431-A434 VanDerWaalsContact O-N 3.07Å; L432-A434 VanDerWaalsContact C-N 3.34Å; A434-R438 WeakPolarHBondContact O-CG 3.4Å; A434-R438 PolarHBondContact O-N 3.1Å
435D95.5Very high93.1Very high55 Ų5563.6 Ų63.629%0.29430%0.298SS..Hα-helixtrans-66.8-42.5177.2-62-28.4000112.9E431 L432 A433 R438 A439E431-D435 PolarHBondContact O-N 3.22Å; L432-D435 PolarHBondContact O-N 3.39Å; A433-D435 VanDerWaalsContact C-N 3.29Å; A433-D435 PolarHBondContact O-N 3.03Å; D435-R438 PolarHBondContact O-N 2.77Å; D435-R438 IonicContact OD1-CZ 3.61Å; D435-R438 IonicContact OD1-NE 3.11Å; D435-R438 IonicContact OD1-NH2 3.95Å; D435-R438 PolarHBondContact OD1-NH2 2.65Å; D435-A439 PolarHBondContact O-N 3.18Å; D435-A439 VanDerWaalsContact O-N 3.11Å
436V96.4Very high92.8Very high4 Ų466.9 Ų66.92%0.02431%0.312CS..Hα-helixtrans-62.4-46.1177.1174.50000110.8V381 A384 L385 R388 L432 A433 R438 A439 E440V381-V436 HydrophobicContact CG1-CG1 3.95Å; A384-V436 HydrophobicContact CB-CG1 4.11Å; L385-V436 HydrophobicContact CB-CG2 4.39Å; R388-V436 HydrophobicContact CG-CG2 4.48Å; L432-V436 WeakPolarHBondContact O-CG2 3.46Å; L432-V436 PolarHBondContact O-N 3.2Å; A433-V436 PolarHBondContact O-N 2.89Å; V436-R438 VanDerWaalsContact C-N 3.29Å; V436-R438 PolarHBondContact O-N 2.97Å; V436-A439 PolarHBondContact O-N 3.46Å; V436-E440 PolarHBondContact O-N 2.89Å; V436-E440 VanDerWaalsContact O-N 3.14Å
437L94.6Very high92.4Very high30 Ų3070.8 Ų70.816%0.15733%0.331CS..Hα-helixtrans-70.7-23.3-178.5-68.5172.1000113.5R359 L375 V381 A433 R441R359-L437 HydrophobicContact CB-CD1 4.43Å; R359-L437 HydrophobicContact CG-CD1 4.35Å; L375-L437 HydrophobicContact CD1-CD2 4.5Å; L375-L437 HydrophobicContact CD1-CG 4.4Å; L375-L437 HydrophobicContact CD2-CD1 4.19Å; V381-L437 HydrophobicContact CG1-CD2 4.27Å; A433-L437 WeakPolarHBondContact O-CB 3.5Å; A433-L437 VanDerWaalsContact O-CG 3.27Å; A433-L437 WeakPolarHBondContact O-CG 3.22Å; A433-L437 PolarHBondContact O-N 3.23Å; L437-R441 WeakPolarHBondContact O-CG 3.39Å; L437-R441 PolarHBondContact O-NE 3.45Å
438R92.5Very high92Very high144 Ų14470 Ų7054%0.54333%0.327SS..Hα-helixtrans-71.3-47.6169.2-79.3-170.9-72-134.64.4110.9A434 D435 V436 E440 R441 E442A434-R438 WeakPolarHBondContact O-CG 3.4Å; A434-R438 PolarHBondContact O-N 3.1Å; D435-R438 PolarHBondContact O-N 2.77Å; D435-R438 IonicContact OD1-CZ 3.61Å; D435-R438 IonicContact OD1-NE 3.11Å; D435-R438 IonicContact OD1-NH2 3.95Å; D435-R438 PolarHBondContact OD1-NH2 2.65Å; V436-R438 VanDerWaalsContact C-N 3.29Å; V436-R438 PolarHBondContact O-N 2.97Å; R438-E440 PolarHBondContact O-N 3.48Å; R438-R441 PolarHBondContact O-N 2.62Å; R438-E442 PolarHBondContact O-N 3.05Å
439A86.8Confident91.5Very high45 Ų4573.9 Ų73.937%0.37235%0.345SS..Hα-helixtrans-65.2-19-179.900000114.2D435 V436D435-A439 PolarHBondContact O-N 3.18Å; D435-A439 VanDerWaalsContact O-N 3.11Å; V436-A439 PolarHBondContact O-N 3.46Å
440E80.9Confident91Very high113 Ų11379.5 Ų79.553%0.52837%0.372SS..THydrogen-bonded Turntrans-79.1-19171.4-94.1-153.6145.600114.3V381 V436 R438V381-E440 HydrophobicContact CG2-CG 4.15Å; V381-E440 WeakPolarHBondContact CG2-OE1 3.14Å; V381-E440 WeakPolarHBondContact CG2-OE2 3.35Å; V436-E440 PolarHBondContact O-N 2.89Å; V436-E440 VanDerWaalsContact O-N 3.14Å; R438-E440 PolarHBondContact O-N 3.48Å
441R79.1Confident90.4Very high215 Ų21582 Ų8281%0.81138%0.384SS*.THydrogen-bonded Turntrans-93.8-18.3-178.3-63.8178.8-163.2-153.71.3112.8L437 R438L437-R441 WeakPolarHBondContact O-CG 3.39Å; L437-R441 PolarHBondContact O-NE 3.45Å; R438-R441 PolarHBondContact O-N 2.62Å
442E67.2Low89.7Confident212 Ų21279.1 Ų79.199%0.99137%0.371SS*.  trans-86.90171.2-65.9173.7-174.700109.3R438R438-E442 PolarHBondContact O-N 3.05Å

Retrieved 442 of 442 residues in 470.8 ms (Link to these results)

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