A0A3Q0KTF3_SCHMA Loading...

Aldehyde dehydrogenase

AlphaFold DB , UniProt , Accession A0A3Q0KTF3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 473 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
1M84.9Confident93.7Very high115 Ų11570.5 Ų70.557%0.56737%0.368SS*.  0-77.50-159.857.269.900111.5E3 D4 I5 V173 I176M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3Å; M1-D4 VanDerWaalsContact CA-OD2 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.36Å; M1-D4 PolarHBondContact N-OD2 3.1Å; M1-D4 WeakPolarHBondContact O-CA 3.5Å; M1-D4 WeakPolarHBondContact O-CB 3.33Å; M1-D4 PolarHBondContact O-N 2.77Å; M1-I5 HydrophobicContact CG-CD1 4.2Å; M1-I5 HydrophobicContact CG-CG1 4.49Å; M1-I5 WeakPolarHBondContact O-CG1 3.37Å; M1-I5 PolarHBondContact O-N 2.72Å; M1-I5 HydrophobicContact SD-CD1 4.34Å; M1-I5 HydrophobicContact SD-CG1 4.35Å; M1-V173 HydrophobicContact CE-CG2 4.25Å; M1-V173 HydrophobicContact CG-CG2 4.42Å; M1-V173 HydrophobicContact SD-CG2 4.24Å; M1-I176 HydrophobicContact CG-CD1 4.19Å
2S83.3Confident94.2Very high55 Ų5564.7 Ų64.739%0.38534%0.337SS..Hα-helixtrans-52.3-45.8-177-1640000113.4D4 I5 E6S2-D4 VanDerWaalsContact C-N 3.3Å; S2-D4 PolarHBondContact O-N 3.09Å; S2-I5 PolarHBondContact O-N 2.97Å; S2-E6 PolarHBondContact O-N 3.05Å
3E88.2Confident94.5Very high133 Ų13365.8 Ų65.862%0.62134%0.335SS*.Hα-helixtrans-62.3-33.5175.6-66.8-179.4-169.900113.5M1 K7M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3Å; E3-K7 VanDerWaalsContact O-CG 3.24Å; E3-K7 WeakPolarHBondContact O-CG 3.35Å; E3-K7 PolarHBondContact O-N 3.23Å
4D93.2Very high94.8Very high78 Ų7868.4 Ų68.442%0.41734%0.342SS..Hα-helixtrans-72.3-41.1178.8-52-51.2000110.4M1 S2 E6 K7 I8M1-D4 VanDerWaalsContact CA-OD2 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.36Å; M1-D4 PolarHBondContact N-OD2 3.1Å; M1-D4 WeakPolarHBondContact O-CA 3.5Å; M1-D4 WeakPolarHBondContact O-CB 3.33Å; M1-D4 PolarHBondContact O-N 2.77Å; S2-D4 VanDerWaalsContact C-N 3.3Å; S2-D4 PolarHBondContact O-N 3.09Å; D4-E6 VanDerWaalsContact C-N 3.34Å; D4-K7 PolarHBondContact O-N 3.41Å; D4-I8 VanDerWaalsContact O-CG1 3.27Å; D4-I8 WeakPolarHBondContact O-CG1 3.28Å; D4-I8 PolarHBondContact O-N 3.29Å
5I96.2Very high95Very high1 Ų163.9 Ų63.91%0.00532%0.32CS..Hα-helixtrans-61.3-45.5175.1-55.6-168.9000109.9M1 S2 I8 T9 I167 V173 I176 I177 Q181M1-I5 HydrophobicContact CG-CD1 4.2Å; M1-I5 HydrophobicContact CG-CG1 4.49Å; M1-I5 WeakPolarHBondContact O-CG1 3.37Å; M1-I5 PolarHBondContact O-N 2.72Å; M1-I5 HydrophobicContact SD-CD1 4.34Å; M1-I5 HydrophobicContact SD-CG1 4.35Å; S2-I5 PolarHBondContact O-N 2.97Å; I5-I8 PolarHBondContact O-N 2.87Å; I5-T9 HydrophobicContact CG2-CG2 4.38Å; I5-T9 WeakPolarHBondContact O-CG2 3.28Å; I5-T9 PolarHBondContact O-N 3.21Å; I5-T9 PolarHBondContact O-OG1 3.43Å; I5-T9 VanDerWaalsContact O-OG1 3.12Å; I5-I167 HydrophobicContact CB-CD1 4.18Å; I5-I167 HydrophobicContact CG1-CD1 3.92Å; I5-I167 HydrophobicContact CG2-CD1 3.96Å; I5-V173 HydrophobicContact CD1-CG1 4.16Å; I5-I176 HydrophobicContact CD1-CB 4.22Å; I5-I176 HydrophobicContact CD1-CG2 3.82Å; I5-I177 HydrophobicContact CD1-CG1 3.73Å; I5-I177 HydrophobicContact CG2-CG1 4.01Å; I5-Q181 HydrophobicContact CG2-CG 3.61Å
6E96.5Very high95.2Very high116 Ų11662.6 Ų62.654%0.54232%0.316SS..Hα-helixtrans-63-41.6177.9-173.6176.8-17600112.6S2 D4 I8 T9 S10S2-E6 PolarHBondContact O-N 3.05Å; D4-E6 VanDerWaalsContact C-N 3.34Å; E6-I8 VanDerWaalsContact C-N 3.35Å; E6-I8 PolarHBondContact O-N 3.23Å; E6-T9 WeakPolarHBondContact CA-OG1 3.41Å; E6-T9 PolarHBondContact O-OG1 2.93Å; E6-T9 VanDerWaalsContact O-OG1 3.04Å; E6-S10 VanDerWaalsContact O-CB 3.25Å; E6-S10 WeakPolarHBondContact O-CB 3.44Å; E6-S10 PolarHBondContact O-N 2.96Å
7K97.3Very high95.3Very high124 Ų12465.4 Ų65.454%0.53934%0.337SS..Hα-helixtrans-60.8-44.8173.7-74.1166.7-169.7165.30111.4E3 D4 S10 V11E3-K7 VanDerWaalsContact O-CG 3.24Å; E3-K7 WeakPolarHBondContact O-CG 3.35Å; E3-K7 PolarHBondContact O-N 3.23Å; D4-K7 PolarHBondContact O-N 3.41Å; K7-S10 PolarHBondContact O-N 2.94Å; K7-V11 WeakPolarHBondContact O-CG2 3.42Å; K7-V11 PolarHBondContact O-N 2.76Å
8I97.7Very high95.4Very high33 Ų3368.1 Ų68.117%0.16935%0.348CS..Hα-helixtrans-62.7-50.5179.3-71.9167.7000110.7D4 I5 E6 S10 V11 L12 L137 Q165 I167D4-I8 VanDerWaalsContact O-CG1 3.27Å; D4-I8 WeakPolarHBondContact O-CG1 3.28Å; D4-I8 PolarHBondContact O-N 3.29Å; I5-I8 PolarHBondContact O-N 2.87Å; E6-I8 VanDerWaalsContact C-N 3.35Å; E6-I8 PolarHBondContact O-N 3.23Å; I8-S10 VanDerWaalsContact C-N 3.3Å; I8-S10 PolarHBondContact O-N 3.43Å; I8-V11 PolarHBondContact O-N 3.19Å; I8-V11 VanDerWaalsContact O-N 3.16Å; I8-L12 HydrophobicContact CG2-CD1 4.17Å; I8-L12 WeakPolarHBondContact O-CG 3.35Å; I8-L12 PolarHBondContact O-N 2.79Å; I8-L137 HydrophobicContact CG2-CD1 3.88Å; I8-Q165 HydrophobicContact CG2-CB 3.73Å; I8-Q165 HydrophobicContact CG2-CG 4.39Å; I8-Q165 PolarHBondContact O-NE2 3.3Å; I8-I167 HydrophobicContact CB-CD1 4.38Å; I8-I167 HydrophobicContact CD1-CD1 3.78Å; I8-I167 HydrophobicContact CD1-CG1 3.65Å; I8-I167 HydrophobicContact CG2-CD1 4.2Å
9T97.5Very high95.4Very high8 Ų865.2 Ų65.25%0.04934%0.337CS..Hα-helixtrans-64.9-34.6179.956.10000111.9I5 E6 L12 R13 L137 Q181 F183I5-T9 HydrophobicContact CG2-CG2 4.38Å; I5-T9 WeakPolarHBondContact O-CG2 3.28Å; I5-T9 PolarHBondContact O-N 3.21Å; I5-T9 PolarHBondContact O-OG1 3.43Å; I5-T9 VanDerWaalsContact O-OG1 3.12Å; E6-T9 WeakPolarHBondContact CA-OG1 3.41Å; E6-T9 PolarHBondContact O-OG1 2.93Å; E6-T9 VanDerWaalsContact O-OG1 3.04Å; T9-L12 PolarHBondContact O-N 2.85Å; T9-R13 VanDerWaalsContact O-CB 3.31Å; T9-R13 WeakPolarHBondContact O-CB 3.43Å; T9-R13 PolarHBondContact O-N 3.1Å; T9-L137 HydrophobicContact CG2-CD2 4.25Å; T9-Q181 HydrophobicContact CG2-CB 4.2Å; T9-Q181 HydrophobicContact CG2-CG 3.96Å; T9-Q181 PolarHBondContact OG1-OE1 3.3Å; T9-F183 HydrophobicContact CG2-CE1 4.3Å; T9-F183 HydrophobicContact CG2-CZ 4.13Å
10S98Very high95.5Very high75 Ų7564 Ų6452%0.52433%0.333SS..Hα-helixtrans-62.8-41172.9-177.10000112.4E6 K7 I8 R13 K14E6-S10 VanDerWaalsContact O-CB 3.25Å; E6-S10 WeakPolarHBondContact O-CB 3.44Å; E6-S10 PolarHBondContact O-N 2.96Å; K7-S10 PolarHBondContact O-N 2.94Å; I8-S10 VanDerWaalsContact C-N 3.3Å; I8-S10 PolarHBondContact O-N 3.43Å; S10-R13 PolarHBondContact O-N 2.85Å; S10-K14 WeakPolarHBondContact O-CB 3.39Å; S10-K14 PolarHBondContact O-N 3.11Å
11V98.5Very high95.7Very high38 Ų3861.1 Ų61.123%0.2332%0.318CS..Hα-helixtrans-65.7-43.2176.6170.20000111K7 I8 K14 G15 K161 H162K7-V11 WeakPolarHBondContact O-CG2 3.42Å; K7-V11 PolarHBondContact O-N 2.76Å; I8-V11 PolarHBondContact O-N 3.19Å; I8-V11 VanDerWaalsContact O-N 3.16Å; V11-K14 WeakPolarHBondContact O-CB 3.34Å; V11-K14 PolarHBondContact O-N 3.28Å; V11-G15 PolarHBondContact O-N 3.37Å; V11-K161 HydrophobicContact CG1-CB 4.4Å; V11-K161 HydrophobicContact CG1-CD 4.25Å; V11-K161 HydrophobicContact CG1-CG 3.97Å; V11-H162 PolarHBondContact O-CD2 3.07Å
12L98.7Very high96.2Very high0 Ų060.9 Ų60.90%032%0.319CS..Hα-helixtrans-62.6-44.3176.6-67.3170.4000111.4I8 T9 K14 G15 V16 V108 S135 V136 L137 K161 Q165I8-L12 HydrophobicContact CG2-CD1 4.17Å; I8-L12 WeakPolarHBondContact O-CG 3.35Å; I8-L12 PolarHBondContact O-N 2.79Å; T9-L12 PolarHBondContact O-N 2.85Å; L12-K14 VanDerWaalsContact C-N 3.3Å; L12-K14 PolarHBondContact O-N 2.89Å; L12-G15 WeakPolarHBondContact O-CA 3.49Å; L12-G15 PolarHBondContact O-N 3.06Å; L12-G15 VanDerWaalsContact O-N 3.09Å; L12-V16 PolarHBondContact O-N 3.47Å; L12-V108 HydrophobicContact CB-CG1 4.08Å; L12-V108 HydrophobicContact CB-CG2 4.38Å; L12-V108 HydrophobicContact CD1-CG1 4.32Å; L12-S135 WeakPolarHBondContact O-CB 3.45Å; L12-S135 PolarHBondContact O-OG 3.19Å; L12-V136 WeakPolarHBondContact CD2-O 3.39Å; L12-L137 HydrophobicContact CD1-CB 3.74Å; L12-L137 HydrophobicContact CD1-CD1 4.48Å; L12-K161 WeakPolarHBondContact CD2-O 3.45Å; L12-Q165 HydrophobicContact CD2-CB 4.44Å; L12-Q165 HydrophobicContact CD2-CG 4.42Å
13R98.5Very high96.8Very high80 Ų8062 Ų6230%0.30232%0.324SS..Hα-helixtrans-65.4-35.7178.4-158.5161-72-82.4-6.4111.6T9 S10 G15 V16 T17 V108 R182 D184T9-R13 VanDerWaalsContact O-CB 3.31Å; T9-R13 WeakPolarHBondContact O-CB 3.43Å; T9-R13 PolarHBondContact O-N 3.1Å; S10-R13 PolarHBondContact O-N 2.85Å; R13-G15 VanDerWaalsContact C-N 3.33Å; R13-V16 PolarHBondContact O-N 3.34Å; R13-T17 PolarHBondContact O-N 2.85Å; R13-T17 VanDerWaalsContact O-N 3.09Å; R13-T17 PolarHBondContact O-OG1 2.91Å; R13-V108 HydrophobicContact CB-CG2 3.92Å; R13-V108 HydrophobicContact CG-CG2 4.15Å; R13-R182 PolarHBondContact NH2-O 2.8Å; R13-D184 IonicContact CZ-OD2 3.32Å; R13-D184 IonicContact NH1-OD1 2.68Å; R13-D184 IonicContact NH1-OD2 2.77Å; R13-D184 PolarHBondContact NH1-OD2 2.85Å; R13-D184 IonicContact NH2-OD2 3.46Å; R13-D184 PolarHBondContact NH2-OD2 2.98Å
14K98.2Very high97.2Very high102 Ų10258.8 Ų58.844%0.44331%0.31SS..Hα-helixtrans-60.2-42.7170.3-176.9177.4173.5-179.10111.7S10 V11 L12 V16 T17 E18S10-K14 WeakPolarHBondContact O-CB 3.39Å; S10-K14 PolarHBondContact O-N 3.11Å; V11-K14 WeakPolarHBondContact O-CB 3.34Å; V11-K14 PolarHBondContact O-N 3.28Å; L12-K14 VanDerWaalsContact C-N 3.3Å; L12-K14 PolarHBondContact O-N 2.89Å; K14-V16 VanDerWaalsContact C-N 3.33Å; K14-V16 PolarHBondContact O-N 2.93Å; K14-T17 VanDerWaalsContact CA-OG1 3.32Å; K14-T17 WeakPolarHBondContact CA-OG1 3.38Å; K14-T17 PolarHBondContact O-N 2.89Å; K14-T17 VanDerWaalsContact O-N 3.12Å; K14-T17 PolarHBondContact O-OG1 3.47Å; K14-E18 WeakPolarHBondContact CE-OE1 3.48Å; K14-E18 WeakPolarHBondContact CE-OE2 3.46Å; K14-E18 HydrophobicContact CG-CG 4.19Å; K14-E18 IonicContact NZ-OE1 2.62Å; K14-E18 PolarHBondContact NZ-OE1 2.87Å; K14-E18 WeakPolarHBondContact O-CB 3.27Å; K14-E18 WeakPolarHBondContact O-CG 3.39Å; K14-E18 PolarHBondContact O-N 3.46Å
15G98.2Very high97.5Very high0 Ų060.5 Ų60.50%032%0.319CS..Hα-helixtrans-54.6-46.2174.200000113.5V11 L12 R13 E18 G19 V20V11-G15 PolarHBondContact O-N 3.37Å; L12-G15 WeakPolarHBondContact O-CA 3.49Å; L12-G15 PolarHBondContact O-N 3.06Å; L12-G15 VanDerWaalsContact O-N 3.09Å; R13-G15 VanDerWaalsContact C-N 3.33Å; G15-E18 PolarHBondContact O-N 3.19Å; G15-G19 PolarHBondContact O-N 2.99Å; G15-V20 WeakPolarHBondContact O-CG2 3.48Å; G15-V20 PolarHBondContact O-N 3.23Å; G15-V20 VanDerWaalsContact O-N 3.1Å
16V97.9Very high97.6Very high44 Ų4461.8 Ų61.827%0.26733%0.328SS..Hα-helixtrans-60-47.8174.8179.30000110.9L12 R13 K14 E18 G19 G107 V108L12-V16 PolarHBondContact O-N 3.47Å; R13-V16 PolarHBondContact O-N 3.34Å; K14-V16 VanDerWaalsContact C-N 3.33Å; K14-V16 PolarHBondContact O-N 2.93Å; V16-E18 PolarHBondContact O-N 3.02Å; V16-G19 PolarHBondContact O-N 2.86Å; V16-G107 WeakPolarHBondContact CG2-O 3.17Å; V16-V108 HydrophobicContact CG2-CG2 3.98Å
17T97.4Very high97.7Very high110 Ų11057.2 Ų57.268%0.67531%0.306SS*.Hα-helixtrans-67.7-33.8-17854.40000113.7R13 K14 G19R13-T17 PolarHBondContact O-N 2.85Å; R13-T17 VanDerWaalsContact O-N 3.09Å; R13-T17 PolarHBondContact O-OG1 2.91Å; K14-T17 VanDerWaalsContact CA-OG1 3.32Å; K14-T17 WeakPolarHBondContact CA-OG1 3.38Å; K14-T17 PolarHBondContact O-N 2.89Å; K14-T17 VanDerWaalsContact O-N 3.12Å; K14-T17 PolarHBondContact O-OG1 3.47Å; T17-G19 VanDerWaalsContact C-N 3.26Å
18E96.8Very high97.8Very high113 Ų11352.7 Ų52.753%0.52829%0.287SS..Hα-helixtrans-80.9-9.1176.5-69.6-178.2154.200112.4K14 G15 V16 V20K14-E18 WeakPolarHBondContact CE-OE1 3.48Å; K14-E18 WeakPolarHBondContact CE-OE2 3.46Å; K14-E18 HydrophobicContact CG-CG 4.19Å; K14-E18 IonicContact NZ-OE1 2.62Å; K14-E18 PolarHBondContact NZ-OE1 2.87Å; K14-E18 WeakPolarHBondContact O-CB 3.27Å; K14-E18 WeakPolarHBondContact O-CG 3.39Å; K14-E18 PolarHBondContact O-N 3.46Å; G15-E18 PolarHBondContact O-N 3.19Å; V16-E18 PolarHBondContact O-N 3.02Å; E18-V20 HydrophobicContact CB-CG1 4.43Å
19G96.1Very high97.8Very high13 Ų1354.2 Ų54.213%0.13430%0.299CS..THydrogen-bonded Turntrans74.134.2175.600000114.1G15 V16 T17 L21 N22G15-G19 PolarHBondContact O-N 2.99Å; V16-G19 PolarHBondContact O-N 2.86Å; T17-G19 VanDerWaalsContact C-N 3.26Å; G19-L21 PolarHBondContact O-N 2.74Å; G19-N22 WeakPolarHBondContact CA-ND2 3.41Å; G19-N22 WeakPolarHBondContact CA-OD1 3.31Å; G19-N22 WeakPolarHBondContact O-CB 3.45Å; G19-N22 PolarHBondContact O-N 3.08Å
20V97.8Very high97.9Very high42 Ų4254 Ų5426%0.25530%0.298SS..THydrogen-bonded Turntrans-58.3-21.1-178-58.60000113.5G15 E18 S26 H162 I163G15-V20 WeakPolarHBondContact O-CG2 3.48Å; G15-V20 PolarHBondContact O-N 3.23Å; G15-V20 VanDerWaalsContact O-N 3.1Å; E18-V20 HydrophobicContact CB-CG1 4.43Å; V20-S26 VanDerWaalsContact O-CB 3.32Å; V20-S26 WeakPolarHBondContact O-CB 3.32Å; V20-S26 PolarHBondContact O-OG 2.76Å; V20-H162 HydrophobicContact CG1-CB 4.06Å; V20-H162 HydrophobicContact CG2-CB 4.23Å; V20-I163 HydrophobicContact CG2-CG1 4Å
21L98.3Very high97.9Very high4 Ų450.4 Ų50.42%0.02127%0.273CS..THydrogen-bonded Turntrans-120.221.6175-67.6175.4000113.4G19 T23 S26 R27 A30 I130 N134 I163G19-L21 PolarHBondContact O-N 2.74Å; L21-T23 VanDerWaalsContact C-N 3.32Å; L21-T23 PolarHBondContact O-N 3.21Å; L21-S26 WeakPolarHBondContact CA-OG 3.15Å; L21-R27 HydrophobicContact CB-CG 4.17Å; L21-R27 HydrophobicContact CD2-CG 4.23Å; L21-R27 WeakPolarHBondContact O-CG 3.41Å; L21-R27 PolarHBondContact O-NE 2.95Å; L21-R27 PolarHBondContact O-NH2 3.43Å; L21-A30 HydrophobicContact CD2-CB 4.22Å; L21-I130 HydrophobicContact CD1-CG1 4.47Å; L21-I130 HydrophobicContact CD1-CG2 4.22Å; L21-I130 HydrophobicContact CD2-CG2 4.17Å; L21-N134 VanDerWaalsContact CD1-O 3.23Å; L21-N134 WeakPolarHBondContact CD1-O 3.35Å; L21-I163 HydrophobicContact CD1-CG1 4.21Å; L21-I163 HydrophobicContact CD1-CG2 4.13Å; L21-I163 HydrophobicContact CD2-CD1 3.92Å; L21-I163 HydrophobicContact CD2-CG1 4.06Å; L21-I163 HydrophobicContact CG-CD1 4.43Å; L21-I163 HydrophobicContact CG-CG1 4.03Å
22N95.1Very high97.9Very high109 Ų10954.2 Ų54.258%0.58328%0.283SS*.  trans-72-24.6-176.9-80.7-0.3000113.6G19G19-N22 WeakPolarHBondContact CA-ND2 3.41Å; G19-N22 WeakPolarHBondContact CA-OD1 3.31Å; G19-N22 WeakPolarHBondContact O-CB 3.45Å; G19-N22 PolarHBondContact O-N 3.08Å
23T97Very high97.9Very high80 Ų8056.4 Ų56.449%0.49130%0.295SS..SBendtrans-101.6147.4-178.968.70000111.6L21 D25 S26 R27L21-T23 VanDerWaalsContact C-N 3.32Å; L21-T23 PolarHBondContact O-N 3.21Å; T23-D25 PolarHBondContact O-N 3.25Å; T23-S26 PolarHBondContact N-OG 3.06Å; T23-S26 PolarHBondContact O-N 3.43Å; T23-S26 PolarHBondContact O-OG 3.29Å; T23-S26 WeakPolarHBondContact OG1-CB 3.47Å; T23-S26 PolarHBondContact OG1-N 3.26Å; T23-S26 VanDerWaalsContact OG1-N 3.13Å; T23-S26 PolarHBondContact OG1-OG 2.68Å; T23-S26 VanDerWaalsContact OG1-OG 3.04Å; T23-R27 WeakPolarHBondContact O-CG 3.43Å; T23-R27 PolarHBondContact O-N 2.85Å
24L97.2Very high98Very high64 Ų6452.6 Ų52.634%0.33528%0.281SS..Hα-helixtrans-55.8-36.9173.5-75.4173.2000112.2R27 K28 I79 L83L24-R27 PolarHBondContact O-N 3.19Å; L24-K28 WeakPolarHBondContact O-CB 3.45Å; L24-K28 VanDerWaalsContact O-CG 3.3Å; L24-K28 WeakPolarHBondContact O-CG 3.43Å; L24-K28 PolarHBondContact O-N 2.72Å; L24-I79 HydrophobicContact CD2-CG1 4.27Å; L24-L83 HydrophobicContact CD2-CD1 3.51Å
25D98.3Very high98Very high114 Ų11449.2 Ų49.261%0.6127%0.267SS*.Hα-helixtrans-66.2-41.7179.5-70.3-32.1000112.6T23 R27 K28 C29T23-D25 PolarHBondContact O-N 3.25Å; D25-R27 PolarHBondContact O-N 3.13Å; D25-K28 PolarHBondContact O-N 3.27Å; D25-C29 VanDerWaalsContact O-CB 3.25Å; D25-C29 WeakPolarHBondContact O-CB 3.5Å; D25-C29 PolarHBondContact O-N 3.29Å
26S98.4Very high98Very high28 Ų2854.1 Ų54.120%0.19629%0.289CS..Hα-helixtrans-62.1-42.9175.163.70000111.7V20 L21 T23 C29 A30V20-S26 VanDerWaalsContact O-CB 3.32Å; V20-S26 WeakPolarHBondContact O-CB 3.32Å; V20-S26 PolarHBondContact O-OG 2.76Å; L21-S26 WeakPolarHBondContact CA-OG 3.15Å; T23-S26 PolarHBondContact N-OG 3.06Å; T23-S26 PolarHBondContact O-N 3.43Å; T23-S26 PolarHBondContact O-OG 3.29Å; T23-S26 WeakPolarHBondContact OG1-CB 3.47Å; T23-S26 PolarHBondContact OG1-N 3.26Å; T23-S26 VanDerWaalsContact OG1-N 3.13Å; T23-S26 PolarHBondContact OG1-OG 2.68Å; T23-S26 VanDerWaalsContact OG1-OG 3.04Å; S26-C29 WeakPolarHBondContact O-CB 3.29Å; S26-C29 PolarHBondContact O-N 3.38Å; S26-A30 PolarHBondContact O-N 3.33Å
27R98.6Very high98Very high21 Ų2152 Ų528%0.07928%0.276CS..Hα-helixtrans-62.6-48.4175.7-59.6-178.4-163.3-162.6-0.9111.9L21 T23 L24 D25 C29 A30 I31 I79 L83 A131 A132L21-R27 HydrophobicContact CB-CG 4.17Å; L21-R27 HydrophobicContact CD2-CG 4.23Å; L21-R27 WeakPolarHBondContact O-CG 3.41Å; L21-R27 PolarHBondContact O-NE 2.95Å; L21-R27 PolarHBondContact O-NH2 3.43Å; T23-R27 WeakPolarHBondContact O-CG 3.43Å; T23-R27 PolarHBondContact O-N 2.85Å; L24-R27 PolarHBondContact O-N 3.19Å; D25-R27 PolarHBondContact O-N 3.13Å; R27-C29 VanDerWaalsContact C-N 3.3Å; R27-C29 PolarHBondContact O-N 3Å; R27-A30 PolarHBondContact O-N 2.98Å; R27-I31 WeakPolarHBondContact O-CG1 3.22Å; R27-I31 PolarHBondContact O-N 3Å; R27-I79 HydrophobicContact CB-CD1 4.1Å; R27-L83 VanDerWaalsContact NH1-CD1 3.28Å; R27-A131 WeakPolarHBondContact CD-O 3.43Å; R27-A131 PolarHBondContact NH1-O 3.04Å; R27-A132 PolarHBondContact NH1-O 3.13Å
28K98.8Very high98.1Very high29 Ų2946.8 Ų46.813%0.12624%0.244CC..Hα-helixtrans-62.2-37.6176.5-73.5174.8177.8175.70111.8L24 D25 I31 R32 L76 I79 D80L24-K28 WeakPolarHBondContact O-CB 3.45Å; L24-K28 VanDerWaalsContact O-CG 3.3Å; L24-K28 WeakPolarHBondContact O-CG 3.43Å; L24-K28 PolarHBondContact O-N 2.72Å; D25-K28 PolarHBondContact O-N 3.27Å; K28-I31 PolarHBondContact O-N 2.7Å; K28-R32 WeakPolarHBondContact O-CB 3.31Å; K28-R32 VanDerWaalsContact O-CG 3.28Å; K28-R32 WeakPolarHBondContact O-CG 3.24Å; K28-R32 PolarHBondContact O-N 2.9Å; K28-L76 HydrophobicContact CB-CD2 3.96Å; K28-L76 HydrophobicContact CG-CD2 4.06Å; K28-I79 HydrophobicContact CD-CG2 4.36Å; K28-I79 VanDerWaalsContact CE-CG2 3.45Å; K28-I79 HydrophobicContact CG-CG2 3.98Å; K28-D80 WeakPolarHBondContact CE-OD2 3.34Å; K28-D80 IonicContact NZ-OD1 2.71Å; K28-D80 PolarHBondContact NZ-OD1 3.42Å; K28-D80 IonicContact NZ-OD2 3.82Å; K28-D80 PolarHBondContact NZ-OD2 3.29Å
29C98.8Very high98.2Very high64 Ų6446.7 Ų46.743%0.43225%0.246SC..Hα-helixtrans-60.4-50176-170.90000111.1D25 S26 R27 I31 R32 N33D25-C29 VanDerWaalsContact O-CB 3.25Å; D25-C29 WeakPolarHBondContact O-CB 3.5Å; D25-C29 PolarHBondContact O-N 3.29Å; S26-C29 WeakPolarHBondContact O-CB 3.29Å; S26-C29 PolarHBondContact O-N 3.38Å; R27-C29 VanDerWaalsContact C-N 3.3Å; R27-C29 PolarHBondContact O-N 3Å; C29-I31 PolarHBondContact O-N 2.71Å; C29-R32 PolarHBondContact O-N 3.08Å; C29-N33 PolarHBondContact O-N 3.44Å
30A98.8Very high98.3Very high3 Ų351.6 Ų51.63%0.02527%0.266CS..Hα-helixtrans-59.6-43.1177.100000112.5L21 S26 R27 R32 N33 I34 I130 L159 I163L21-A30 HydrophobicContact CD2-CB 4.22Å; S26-A30 PolarHBondContact O-N 3.33Å; R27-A30 PolarHBondContact O-N 2.98Å; A30-R32 PolarHBondContact O-N 2.65Å; A30-N33 WeakPolarHBondContact O-CB 3.45Å; A30-N33 PolarHBondContact O-N 2.86Å; A30-N33 VanDerWaalsContact O-N 3.16Å; A30-I34 PolarHBondContact O-N 2.9Å; A30-I130 HydrophobicContact CB-CG2 3.65Å; A30-L159 HydrophobicContact CB-CD2 4.23Å; A30-I163 HydrophobicContact CB-CD1 4.09Å
31I98.9Very high98.4Very high0 Ų050.6 Ų50.60%026%0.259CS..Hα-helixtrans-67.5-36.7178-61161000111.5R27 K28 C29 N33 I34 L35 A72 M75 L76 I79 I127 I130 A131R27-I31 WeakPolarHBondContact O-CG1 3.22Å; R27-I31 PolarHBondContact O-N 3Å; K28-I31 PolarHBondContact O-N 2.7Å; C29-I31 PolarHBondContact O-N 2.71Å; I31-N33 VanDerWaalsContact C-N 3.28Å; I31-N33 PolarHBondContact O-N 3.11Å; I31-I34 WeakPolarHBondContact O-CB 3.4Å; I31-I34 PolarHBondContact O-N 3.07Å; I31-L35 PolarHBondContact O-N 3.13Å; I31-A72 HydrophobicContact CG2-CB 3.95Å; I31-M75 HydrophobicContact CD1-CG 3.75Å; I31-L76 HydrophobicContact CB-CD2 3.97Å; I31-L76 HydrophobicContact CB-CG 4.27Å; I31-L76 HydrophobicContact CG2-CD1 4.11Å; I31-L76 HydrophobicContact CG2-CD2 3.96Å; I31-L76 HydrophobicContact CG2-CG 3.67Å; I31-I79 HydrophobicContact CD1-CD1 4.1Å; I31-I127 HydrophobicContact CG2-CG2 4.35Å; I31-I130 HydrophobicContact CG1-CG2 4.01Å; I31-A131 HydrophobicContact CD1-CB 3.85Å
32R98.9Very high98.4Very high119 Ų11953.1 Ų53.145%0.44927%0.27SS..Hα-helixtrans-64.3-33.5172.3-73.6-179.9-164.6112.8-3.7112.1K28 C29 A30 L35 K36 L76K28-R32 WeakPolarHBondContact O-CB 3.31Å; K28-R32 VanDerWaalsContact O-CG 3.28Å; K28-R32 WeakPolarHBondContact O-CG 3.24Å; K28-R32 PolarHBondContact O-N 2.9Å; C29-R32 PolarHBondContact O-N 3.08Å; A30-R32 PolarHBondContact O-N 2.65Å; R32-L35 WeakPolarHBondContact O-CB 3.38Å; R32-L35 PolarHBondContact O-N 3.13Å; R32-K36 WeakPolarHBondContact O-CG 3.39Å; R32-K36 PolarHBondContact O-N 3.5Å; R32-L76 HydrophobicContact CG-CD1 3.84Å; R32-L76 HydrophobicContact CG-CD2 3.95Å
33N98.9Very high98.5Very high46 Ų4651.9 Ų51.925%0.24626%0.261CS..Hα-helixtrans-69.6-34.7174.2-71.8-7.7000111.9C29 A30 I31 L35 K36 L37 Y158 L159C29-N33 PolarHBondContact O-N 3.44Å; A30-N33 WeakPolarHBondContact O-CB 3.45Å; A30-N33 PolarHBondContact O-N 2.86Å; A30-N33 VanDerWaalsContact O-N 3.16Å; I31-N33 VanDerWaalsContact C-N 3.28Å; I31-N33 PolarHBondContact O-N 3.11Å; N33-L35 VanDerWaalsContact C-N 3.33Å; N33-K36 PolarHBondContact O-N 3.19Å; N33-L37 WeakPolarHBondContact O-CB 3.49Å; N33-L37 PolarHBondContact O-N 2.74Å; N33-Y158 VanDerWaalsContact CB-O 3.27Å; N33-Y158 WeakPolarHBondContact CB-O 3.33Å; N33-Y158 PolarHBondContact ND2-O 3.49Å; N33-Y158 VanDerWaalsContact ND2-O 3.12Å; N33-L159 HydrophobicContact CB-CD2 4.37Å
34I98.8Very high98.6Very high0 Ų050.5 Ų50.50%026%0.255CS..Hα-helixtrans-63.1-41.4169-67.2172.2000110.7A30 I31 K36 L37 F38 F123 L126 I127 I130 L159A30-I34 PolarHBondContact O-N 2.9Å; I31-I34 WeakPolarHBondContact O-CB 3.4Å; I31-I34 PolarHBondContact O-N 3.07Å; I34-K36 VanDerWaalsContact C-N 3.35Å; I34-K36 PolarHBondContact O-N 3.07Å; I34-L37 VanDerWaalsContact O-CB 3.31Å; I34-L37 WeakPolarHBondContact O-CB 3.48Å; I34-L37 PolarHBondContact O-N 2.94Å; I34-F38 HydrophobicContact CG2-CD2 4.07Å; I34-F38 HydrophobicContact CG2-CE2 3.98Å; I34-F38 WeakPolarHBondContact O-CD2 3.49Å; I34-F38 PolarHBondContact O-N 2.76Å; I34-F123 HydrophobicContact CG1-CD1 4.49Å; I34-F123 HydrophobicContact CG2-CD1 3.74Å; I34-F123 HydrophobicContact CG2-CE1 4.27Å; I34-L126 HydrophobicContact CD1-CD2 4.11Å; I34-L126 HydrophobicContact CD1-CG 4.13Å; I34-I127 HydrophobicContact CD1-CG1 4Å; I34-I127 HydrophobicContact CG2-CD1 4.15Å; I34-I127 HydrophobicContact CG2-CG1 4.09Å; I34-I130 HydrophobicContact CD1-CD1 3.75Å; I34-L159 HydrophobicContact CD1-CD1 4.27Å; I34-L159 HydrophobicContact CG1-CD1 4.12Å; I34-L159 HydrophobicContact CG1-CD2 4.17Å; I34-L159 HydrophobicContact CG1-CG 4.49Å
35L98.6Very high98.7Very high31 Ų3147.5 Ų47.516%0.16224%0.239CC..Hα-helixtrans-59.2-46.1175.6-176.565.5000111.4I31 R32 N33 L37 F38 L39 V69 A72 Q73 L76I31-L35 PolarHBondContact O-N 3.13Å; R32-L35 WeakPolarHBondContact O-CB 3.38Å; R32-L35 PolarHBondContact O-N 3.13Å; N33-L35 VanDerWaalsContact C-N 3.33Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 2.73Å; L35-F38 PolarHBondContact O-N 3.29Å; L35-L39 HydrophobicContact CD1-CD1 4.17Å; L35-L39 HydrophobicContact CD1-CG 4.44Å; L35-L39 HydrophobicContact CG-CD1 3.91Å; L35-L39 VanDerWaalsContact O-CG 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 3.1Å; L35-L39 VanDerWaalsContact O-N 3.09Å; L35-V69 HydrophobicContact CD1-CB 4.26Å; L35-V69 HydrophobicContact CD1-CG1 3.74Å; L35-V69 HydrophobicContact CD1-CG2 4.22Å; L35-A72 HydrophobicContact CD1-CB 4.49Å; L35-Q73 HydrophobicContact CD1-CG 4.23Å; L35-L76 HydrophobicContact CD2-CD1 4.46Å
36K98.8Very high98.7Very high103 Ų10342.4 Ų42.445%0.44821%0.212SC..Hα-helixtrans-61-40.8174.3-70.5177-178.4178.20112.5R32 N33 I34 F38 L39 E40 Y158R32-K36 WeakPolarHBondContact O-CG 3.39Å; R32-K36 PolarHBondContact O-N 3.5Å; N33-K36 PolarHBondContact O-N 3.19Å; I34-K36 VanDerWaalsContact C-N 3.35Å; I34-K36 PolarHBondContact O-N 3.07Å; K36-F38 VanDerWaalsContact C-N 3.29Å; K36-F38 PolarHBondContact O-N 2.94Å; K36-L39 PolarHBondContact O-N 2.64Å; K36-E40 VanDerWaalsContact O-CB 3.28Å; K36-E40 WeakPolarHBondContact O-CB 3.29Å; K36-E40 WeakPolarHBondContact O-CG 3.41Å; K36-E40 PolarHBondContact O-N 3.4Å; K36-Y158 HydrophobicContact CB-CD1 4.2Å; K36-Y158 HydrophobicContact CB-CE1 4.03Å
37L98.8Very high98.7Very high0 Ų047.4 Ų47.40%023%0.23CC..Hα-helixtrans-53.3-47.5176.9177.7161.7000111.1N33 I34 L35 N41 F123 L154 Y158N33-L37 WeakPolarHBondContact O-CB 3.49Å; N33-L37 PolarHBondContact O-N 2.74Å; I34-L37 VanDerWaalsContact O-CB 3.31Å; I34-L37 WeakPolarHBondContact O-CB 3.48Å; I34-L37 PolarHBondContact O-N 2.94Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 2.73Å; L37-N41 VanDerWaalsContact O-CB 3.31Å; L37-N41 WeakPolarHBondContact O-CB 3.39Å; L37-N41 PolarHBondContact O-N 2.97Å; L37-N41 PolarHBondContact O-ND2 2.8Å; L37-F123 HydrophobicContact CD1-CE1 3.82Å; L37-F123 HydrophobicContact CD1-CZ 3.81Å; L37-F123 HydrophobicContact CD2-CE1 4.17Å; L37-F123 HydrophobicContact CD2-CZ 3.89Å; L37-L154 HydrophobicContact CD1-CB 3.62Å; L37-L154 HydrophobicContact CD2-CB 4.27Å; L37-L154 HydrophobicContact CD2-CD1 3.85Å; L37-L154 HydrophobicContact CG-CB 3.82Å; L37-L154 HydrophobicContact CG-CD1 4.11Å; L37-L154 HydrophobicContact CG-CG 4.44Å; L37-Y158 HydrophobicContact CB-CD1 4.17Å; L37-Y158 HydrophobicContact CB-CD2 3.82Å; L37-Y158 HydrophobicContact CB-CE2 4.23Å; L37-Y158 HydrophobicContact CB-CG 3.81Å; L37-Y158 HydrophobicContact CD1-CD2 4.03Å; L37-Y158 HydrophobicContact CD1-CG 4.34Å; L37-Y158 HydrophobicContact CG-CD2 3.91Å; L37-Y158 HydrophobicContact CG-CE2 4.33Å; L37-Y158 HydrophobicContact CG-CG 4.35Å
38F98.8Very high98.8Very high0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-70.1-49178-80.4-79.4000112.4I34 L35 K36 E40 N41 E42 I45 V65 S68 V69 F119 F123I34-F38 HydrophobicContact CG2-CD2 4.07Å; I34-F38 HydrophobicContact CG2-CE2 3.98Å; I34-F38 WeakPolarHBondContact O-CD2 3.49Å; I34-F38 PolarHBondContact O-N 2.76Å; L35-F38 PolarHBondContact O-N 3.29Å; K36-F38 VanDerWaalsContact C-N 3.29Å; K36-F38 PolarHBondContact O-N 2.94Å; F38-E40 VanDerWaalsContact C-N 3.33Å; F38-E40 PolarHBondContact O-N 2.73Å; F38-N41 PolarHBondContact O-N 3.13Å; F38-E42 PolarHBondContact O-N 3.31Å; F38-E42 VanDerWaalsContact O-N 3.14Å; F38-I45 HydrophobicContact CD1-CD1 3.55Å; F38-I45 HydrophobicContact CE1-CD1 3.89Å; F38-I45 HydrophobicContact CG-CD1 4.44Å; F38-V65 HydrophobicContact CB-CG1 4.44Å; F38-V65 HydrophobicContact CD1-CB 4.48Å; F38-V65 HydrophobicContact CD1-CG1 4.23Å; F38-S68 VanDerWaalsContact CE2-CB 3.44Å; F38-S68 WeakPolarHBondContact CZ-OG 3.47Å; F38-V69 HydrophobicContact CB-CG2 3.67Å; F38-V69 HydrophobicContact CG-CG2 4.32Å; F38-F119 HydrophobicContact CE1-CB 4.13Å; F38-F119 HydrophobicContact CE1-CD1 4.38Å; F38-F119 HydrophobicContact CZ-CB 4.33Å; F38-F123 HydrophobicContact CE2-CB 3.81Å; F38-F123 AromaticContact CE2-CD1 3.74Å; F38-F123 HydrophobicContact CE2-CD1 3.74Å; F38-F123 AromaticContact CE2-CD2 3.93Å; F38-F123 HydrophobicContact CE2-CD2 3.93Å; F38-F123 HydrophobicContact CE2-CE1 4.28Å; F38-F123 HydrophobicContact CE2-CE2 4.45Å; F38-F123 AromaticContact CE2-CG 3.54Å; F38-F123 HydrophobicContact CE2-CG 3.54Å; F38-F123 HydrophobicContact CZ-CB 3.82Å; F38-F123 HydrophobicContact CZ-CD1 4.2Å; F38-F123 AromaticContact CZ-CD2 3.51Å; F38-F123 HydrophobicContact CZ-CD2 3.51Å; F38-F123 HydrophobicContact CZ-CE2 4.1Å; F38-F123 AromaticContact CZ-CG 3.57Å; F38-F123 HydrophobicContact CZ-CG 3.57Å
39L98.3Very high98.7Very high111 Ų11145.3 Ų45.358%0.58122%0.223SC*.Hα-helixtrans-64-35.5-175-66175.5000113.2L35 K36 V69L35-L39 HydrophobicContact CD1-CD1 4.17Å; L35-L39 HydrophobicContact CD1-CG 4.44Å; L35-L39 HydrophobicContact CG-CD1 3.91Å; L35-L39 VanDerWaalsContact O-CG 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 3.1Å; L35-L39 VanDerWaalsContact O-N 3.09Å; K36-L39 PolarHBondContact O-N 2.64Å; L39-V69 HydrophobicContact CD2-CG2 4.3Å
40E98.7Very high98.7Very high116 Ų11647.8 Ų47.854%0.54223%0.228SC..Hα-helixtrans-84.9-11.8-178.7-65.8174.1-166.600113.2K36 F38 Y158K36-E40 VanDerWaalsContact O-CB 3.28Å; K36-E40 WeakPolarHBondContact O-CB 3.29Å; K36-E40 WeakPolarHBondContact O-CG 3.41Å; K36-E40 PolarHBondContact O-N 3.4Å; F38-E40 VanDerWaalsContact C-N 3.33Å; F38-E40 PolarHBondContact O-N 2.73Å; E40-Y158 VanDerWaalsContact OE2-CE1 3.31Å; E40-Y158 WeakPolarHBondContact OE2-CE1 3.25Å; E40-Y158 VanDerWaalsContact OE2-CZ 3.31Å; E40-Y158 PolarHBondContact OE2-OH 2.87Å
41N98.8Very high98.7Very high20 Ų2051 Ų5111%0.10726%0.255CS..Hα-helixtrans-131.119.2-170.9-54.1-89000113.9L37 F38 E43 S44 I45 L154 Y158L37-N41 VanDerWaalsContact O-CB 3.31Å; L37-N41 WeakPolarHBondContact O-CB 3.39Å; L37-N41 PolarHBondContact O-N 2.97Å; L37-N41 PolarHBondContact O-ND2 2.8Å; F38-N41 PolarHBondContact O-N 3.13Å; N41-E43 VanDerWaalsContact C-N 3.32Å; N41-E43 PolarHBondContact O-N 3.17Å; N41-S44 PolarHBondContact O-N 2.91Å; N41-I45 WeakPolarHBondContact O-CG1 3.32Å; N41-I45 PolarHBondContact O-N 3.11Å; N41-L154 HydrophobicContact CB-CD1 4.1Å; N41-L154 HydrophobicContact CB-CD2 4.16Å; N41-L154 WeakPolarHBondContact OD1-CD2 3.27Å; N41-Y158 PolarHBondContact ND2-OH 2.78Å
42E98.6Very high98.7Very high57 Ų5751.8 Ų51.827%0.26626%0.259SS..Hα-helixtrans-47.7-51.5178.3-179.4-176.8113.300112F38 S44 I45 V46 R57 I61 V65F38-E42 PolarHBondContact O-N 3.31Å; F38-E42 VanDerWaalsContact O-N 3.14Å; E42-S44 VanDerWaalsContact C-N 3.33Å; E42-S44 PolarHBondContact O-N 3.4Å; E42-I45 WeakPolarHBondContact O-CB 3.39Å; E42-I45 PolarHBondContact O-N 2.86Å; E42-I45 VanDerWaalsContact O-N 3.17Å; E42-V46 HydrophobicContact CG-CG2 4.44Å; E42-V46 WeakPolarHBondContact O-CG2 3.33Å; E42-V46 PolarHBondContact O-N 3.27Å; E42-R57 IonicContact OE1-NH2 3.02Å; E42-R57 PolarHBondContact OE1-NH2 2.85Å; E42-I61 HydrophobicContact CG-CD1 4.49Å; E42-I61 HydrophobicContact CG-CG1 4.16Å; E42-I61 WeakPolarHBondContact OE1-CD1 3.38Å; E42-V65 HydrophobicContact CG-CG1 4.28Å; E42-V65 HydrophobicContact CG-CG2 4.39Å
43E98.6Very high98.7Very high83 Ų8346.2 Ų46.239%0.38824%0.238SC..Hα-helixtrans-61.2-39.4-179.6-67.9-57.3148.400113.4N41 I45 V46 K47 R57N41-E43 VanDerWaalsContact C-N 3.32Å; N41-E43 PolarHBondContact O-N 3.17Å; E43-I45 VanDerWaalsContact C-N 3.33Å; E43-V46 PolarHBondContact O-N 2.89Å; E43-K47 WeakPolarHBondContact O-CB 3.09Å; E43-K47 VanDerWaalsContact O-CG 3.27Å; E43-K47 WeakPolarHBondContact O-CG 3.45Å; E43-K47 PolarHBondContact O-N 3.47Å; E43-R57 IonicContact OE1-CZ 3.92Å; E43-R57 IonicContact OE1-NH1 3.17Å; E43-R57 PolarHBondContact OE1-NH1 3.04Å; E43-R57 IonicContact OE1-NH2 3.74Å; E43-R57 PolarHBondContact OE1-NH2 2.98Å; E43-R57 IonicContact OE2-CZ 3.45Å; E43-R57 IonicContact OE2-NH1 2.82Å; E43-R57 PolarHBondContact OE2-NH1 3.16Å
44S98.8Very high98.7Very high52 Ų5247.8 Ų47.836%0.36424%0.241SC..Hα-helixtrans-67.1-40178.4-59.30000110.5N41 E42 K47 A48 L150N41-S44 PolarHBondContact O-N 2.91Å; E42-S44 VanDerWaalsContact C-N 3.33Å; E42-S44 PolarHBondContact O-N 3.4Å; S44-K47 PolarHBondContact O-N 3.41Å; S44-A48 WeakPolarHBondContact O-CB 3.39Å; S44-A48 PolarHBondContact O-N 3.05Å; S44-L150 VanDerWaalsContact C-CD2 3.41Å; S44-L150 VanDerWaalsContact O-CD2 3.26Å; S44-L150 WeakPolarHBondContact O-CD2 3.4Å
45I98.9Very high98.6Very high0 Ų047.8 Ų47.80%024%0.241CC..Hα-helixtrans-64.1-47.1176.7-66.5168.9000110.4F38 N41 E42 E43 K47 A48 L49 V65 F119 L150F38-I45 HydrophobicContact CD1-CD1 3.55Å; F38-I45 HydrophobicContact CE1-CD1 3.89Å; F38-I45 HydrophobicContact CG-CD1 4.44Å; N41-I45 WeakPolarHBondContact O-CG1 3.32Å; N41-I45 PolarHBondContact O-N 3.11Å; E42-I45 WeakPolarHBondContact O-CB 3.39Å; E42-I45 PolarHBondContact O-N 2.86Å; E42-I45 VanDerWaalsContact O-N 3.17Å; E43-I45 VanDerWaalsContact C-N 3.33Å; I45-K47 VanDerWaalsContact C-N 3.35Å; I45-K47 PolarHBondContact O-N 3.31Å; I45-A48 PolarHBondContact O-N 3.19Å; I45-L49 HydrophobicContact CG2-CD1 3.85Å; I45-L49 WeakPolarHBondContact O-CG 3.45Å; I45-L49 PolarHBondContact O-N 2.87Å; I45-V65 HydrophobicContact CB-CG2 4.28Å; I45-V65 HydrophobicContact CD1-CG2 4.4Å; I45-V65 HydrophobicContact CG2-CG2 3.77Å; I45-F119 HydrophobicContact CB-CE1 4.43Å; I45-F119 HydrophobicContact CB-CZ 4.32Å; I45-F119 HydrophobicContact CD1-CD1 4.28Å; I45-F119 HydrophobicContact CD1-CE1 4.32Å; I45-F119 HydrophobicContact CG1-CD1 4.11Å; I45-F119 HydrophobicContact CG1-CE1 3.72Å; I45-F119 HydrophobicContact CG1-CZ 4.03Å; I45-F119 HydrophobicContact CG2-CD1 4.16Å; I45-F119 HydrophobicContact CG2-CD2 3.74Å; I45-F119 HydrophobicContact CG2-CE1 4.2Å; I45-F119 HydrophobicContact CG2-CE2 3.78Å; I45-F119 HydrophobicContact CG2-CG 3.96Å; I45-F119 HydrophobicContact CG2-CZ 4.02Å; I45-L150 HydrophobicContact CG1-CD2 4.17Å
46V98.8Very high98.6Very high7 Ų747.3 Ų47.34%0.04224%0.239CC..Hα-helixtrans-56.9-48.2176.31700000110.8E42 E43 A48 L49 E50 R57 A60 I61E42-V46 HydrophobicContact CG-CG2 4.44Å; E42-V46 WeakPolarHBondContact O-CG2 3.33Å; E42-V46 PolarHBondContact O-N 3.27Å; E43-V46 PolarHBondContact O-N 2.89Å; V46-A48 VanDerWaalsContact C-N 3.34Å; V46-A48 PolarHBondContact O-N 3.13Å; V46-L49 PolarHBondContact O-N 2.67Å; V46-E50 WeakPolarHBondContact O-CB 3.12Å; V46-E50 PolarHBondContact O-N 2.85Å; V46-R57 HydrophobicContact CG1-CB 4.13Å; V46-R57 HydrophobicContact CG1-CG 4.11Å; V46-R57 HydrophobicContact CG2-CG 4.46Å; V46-A60 HydrophobicContact CB-CB 4.48Å; V46-A60 HydrophobicContact CG2-CB 4.02Å; V46-I61 HydrophobicContact CG2-CG1 3.9Å
47K98.8Very high98.5Very high133 Ų13347.4 Ų47.458%0.57824%0.237SC*.Hα-helixtrans-62.2-39.3178.9-73.2172.7-175.1177.80112.9E43 S44 I45 E50 A51E43-K47 WeakPolarHBondContact O-CB 3.09Å; E43-K47 VanDerWaalsContact O-CG 3.27Å; E43-K47 WeakPolarHBondContact O-CG 3.45Å; E43-K47 PolarHBondContact O-N 3.47Å; S44-K47 PolarHBondContact O-N 3.41Å; I45-K47 VanDerWaalsContact C-N 3.35Å; I45-K47 PolarHBondContact O-N 3.31Å; K47-E50 PolarHBondContact O-N 2.88Å; K47-A51 WeakPolarHBondContact O-CB 3.4Å; K47-A51 PolarHBondContact O-N 3.03Å
48A98.8Very high98.5Very high7 Ų752 Ų526%0.05827%0.265CS..Hα-helixtrans-66-43177.500000111.8S44 I45 V46 A51 D52 F119 A146 C147 L150S44-A48 WeakPolarHBondContact O-CB 3.39Å; S44-A48 PolarHBondContact O-N 3.05Å; I45-A48 PolarHBondContact O-N 3.19Å; V46-A48 VanDerWaalsContact C-N 3.34Å; V46-A48 PolarHBondContact O-N 3.13Å; A48-A51 PolarHBondContact O-N 3.47Å; A48-D52 PolarHBondContact O-N 3.25Å; A48-D52 VanDerWaalsContact O-N 3.12Å; A48-F119 HydrophobicContact CB-CE2 4.49Å; A48-F119 HydrophobicContact CB-CZ 4.44Å; A48-A146 HydrophobicContact CB-CB 4.31Å; A48-C147 VanDerWaalsContact C-SG 3.56Å; A48-C147 PolarHBondContact O-SG 2.82Å; A48-L150 HydrophobicContact CB-CD2 3.9Å
49L98.8Very high98.4Very high0 Ų052.4 Ų52.40%027%0.267CS..Hα-helixtrans-65.9-39.5176.1-72.9167.3000112.2I45 V46 L53 R54 R55 A60 D64 P118 F119I45-L49 HydrophobicContact CG2-CD1 3.85Å; I45-L49 WeakPolarHBondContact O-CG 3.45Å; I45-L49 PolarHBondContact O-N 2.87Å; V46-L49 PolarHBondContact O-N 2.67Å; L49-L53 HydrophobicContact CD2-CD1 4.2Å; L49-L53 WeakPolarHBondContact O-CB 3.23Å; L49-L53 PolarHBondContact O-N 2.89Å; L49-R54 PolarHBondContact O-N 3.42Å; L49-R55 HydrophobicContact CB-CB 4.24Å; L49-A60 HydrophobicContact CB-CB 4.26Å; L49-A60 HydrophobicContact CD1-CB 3.6Å; L49-D64 HydrophobicContact CD1-CB 3.87Å; L49-P118 HydrophobicContact CD2-CG 3.61Å; L49-F119 HydrophobicContact CD1-CD2 4.2Å; L49-F119 HydrophobicContact CD1-CE2 4.5Å; L49-F119 HydrophobicContact CD2-CD2 4.11Å; L49-F119 HydrophobicContact CD2-CE2 4.3Å; L49-F119 HydrophobicContact CG-CD2 4.11Å; L49-F119 HydrophobicContact CG-CE2 4.06Å
50E98.4Very high98.4Very high115 Ų11547.1 Ų47.154%0.53724%0.24SC..Hα-helixtrans-62.2-44.7173.5-175.5178.9-167.500111V46 K47 D52 R54V46-E50 WeakPolarHBondContact O-CB 3.12Å; V46-E50 PolarHBondContact O-N 2.85Å; K47-E50 PolarHBondContact O-N 2.88Å; E50-D52 PolarHBondContact O-N 3.18Å; E50-R54 WeakPolarHBondContact O-CA 3.32Å; E50-R54 PolarHBondContact O-N 3.39Å
51A98.5Very high98.4Very high70 Ų7043 Ų4358%0.57922%0.221SC*.Hα-helixtrans-62.4-43.5-179.400000112.9K47 A48 A146K47-A51 WeakPolarHBondContact O-CB 3.4Å; K47-A51 PolarHBondContact O-N 3.03Å; A48-A51 PolarHBondContact O-N 3.47Å; A51-A146 HydrophobicContact CB-CB 4.08Å
52D98.6Very high98.2Very high18 Ų1844.7 Ų44.710%0.09623%0.227CC..Hα-helixtrans-86.7-37.2-175.2-68.5-32.1000113.4A48 E50 T144 P145 A146 C147A48-D52 PolarHBondContact O-N 3.25Å; A48-D52 VanDerWaalsContact O-N 3.12Å; E50-D52 PolarHBondContact O-N 3.18Å; D52-T144 HydrophobicContact CB-CG2 3.81Å; D52-T144 WeakPolarHBondContact OD2-CA 3.45Å; D52-T144 VanDerWaalsContact OD2-CB 3.23Å; D52-T144 WeakPolarHBondContact OD2-CB 3.34Å; D52-P145 VanDerWaalsContact OD1-CD 3.25Å; D52-P145 WeakPolarHBondContact OD1-CD 3.46Å; D52-A146 WeakPolarHBondContact OD1-CB 3.49Å; D52-A146 PolarHBondContact OD1-N 2.76Å; D52-A146 PolarHBondContact OD2-N 3.1Å; D52-A146 VanDerWaalsContact OD2-N 3.09Å; D52-C147 PolarHBondContact OD2-N 2.87Å; D52-C147 PolarHBondContact OD2-SG 3.18Å
53L98.5Very high98.1Very high1 Ų142.6 Ų42.61%0.00522%0.219CC..Hα-helixtrans-118.1-8.4-170.2-70.6163.6000113.8L49 R55 W115 T144 R286 I288L49-L53 HydrophobicContact CD2-CD1 4.2Å; L49-L53 WeakPolarHBondContact O-CB 3.23Å; L49-L53 PolarHBondContact O-N 2.89Å; L53-R55 HydrophobicContact CB-CB 4.21Å; L53-R55 PolarHBondContact O-N 3.43Å; L53-W115 HydrophobicContact CD2-CE3 4.26Å; L53-W115 HydrophobicContact CD2-CZ3 4.35Å; L53-T144 HydrophobicContact CG-CG2 4.47Å; L53-R286 PolarHBondContact O-N 3.02Å; L53-I288 HydrophobicContact CD2-CB 4.39Å; L53-I288 HydrophobicContact CD2-CD1 3.64Å; L53-I288 HydrophobicContact CG-CD1 4.27Å
54R98.2Very high98Very high79 Ų7938.7 Ų38.730%0.29820%0.2SC..  trans52.233.5-164.7-158.7-176.2166.4177.6-20.3111.5L49 E50 C56 Q279 A285 R286 D317L49-R54 PolarHBondContact O-N 3.42Å; E50-R54 WeakPolarHBondContact O-CA 3.32Å; E50-R54 PolarHBondContact O-N 3.39Å; R54-C56 PolarHBondContact O-N 3.49Å; R54-Q279 PolarHBondContact NH2-O 3.35Å; R54-A285 WeakPolarHBondContact O-CA 3.31Å; R54-R286 HydrophobicContact CB-CB 4.23Å; R54-R286 HydrophobicContact CB-CG 3.82Å; R54-R286 HydrophobicContact CG-CG 4.34Å; R54-R286 VanDerWaalsContact CZ-NH2 3.3Å; R54-D317 VanDerWaalsContact NH1-CG 3.35Å; R54-D317 IonicContact NH1-OD1 2.99Å; R54-D317 PolarHBondContact NH1-OD1 3.35Å; R54-D317 IonicContact NH1-OD2 3.17Å; R54-D317 PolarHBondContact NH1-OD2 2.53Å; R54-D317 VanDerWaalsContact NH1-OD2 3.13Å
55R97.8Very high98Very high1 Ų136.2 Ų36.20%0.00418%0.183CC..  trans-69.5127.9176.8178.9171.3-71.615212.8108.8L49 L53 E59 A60 D64 N116 F117 N241L49-R55 HydrophobicContact CB-CB 4.24Å; L53-R55 HydrophobicContact CB-CB 4.21Å; L53-R55 PolarHBondContact O-N 3.43Å; R55-E59 HydrophobicContact CG-CB 3.74Å; R55-E59 HydrophobicContact CG-CG 3.83Å; R55-E59 IonicContact CZ-OE1 3.98Å; R55-E59 IonicContact NE-OE1 2.8Å; R55-E59 PolarHBondContact NE-OE1 2.81Å; R55-E59 IonicContact NH2-OE1 2.67Å; R55-A60 HydrophobicContact CG-CB 4.07Å; R55-D64 IonicContact CZ-OD2 3.03Å; R55-D64 IonicContact NH1-OD2 3.97Å; R55-D64 PolarHBondContact NH1-OD2 3.18Å; R55-N116 PolarHBondContact NH2-O 3.18Å; R55-F117 VanDerWaalsContact NH1-CD1 3.35Å; R55-N241 PolarHBondContact NH2-ND2 3.34Å; R55-N241 PolarHBondContact NH2-OD1 3.49Å
56C97.6Very high97.9Very high20 Ų2040.1 Ų40.114%0.13520%0.204CC..  trans-68.1157.1179.480.20000111.1R54 T58 E59 A60 P282R54-C56 PolarHBondContact O-N 3.49Å; C56-T58 VanDerWaalsContact C-N 3.31Å; C56-T58 PolarHBondContact O-N 2.76Å; C56-E59 PolarHBondContact O-N 3.37Å; C56-A60 WeakPolarHBondContact O-CB 3.38Å; C56-A60 PolarHBondContact O-N 3.47Å; C56-P282 VanDerWaalsContact CB-O 3.24Å; C56-P282 WeakPolarHBondContact CB-O 3.11Å
57R98.2Very high97.7Very high105 Ų10541.2 Ų41.240%0.39621%0.211SC..Hα-helixtrans-51.3-50-178.1178.7-177.1-176.4909.7112.4E42 E43 V46 E59 A60 I61E42-R57 IonicContact OE1-NH2 3.02Å; E42-R57 PolarHBondContact OE1-NH2 2.85Å; E43-R57 IonicContact OE1-CZ 3.92Å; E43-R57 IonicContact OE1-NH1 3.17Å; E43-R57 PolarHBondContact OE1-NH1 3.04Å; E43-R57 IonicContact OE1-NH2 3.74Å; E43-R57 PolarHBondContact OE1-NH2 2.98Å; E43-R57 IonicContact OE2-CZ 3.45Å; E43-R57 IonicContact OE2-NH1 2.82Å; E43-R57 PolarHBondContact OE2-NH1 3.16Å; V46-R57 HydrophobicContact CG1-CB 4.13Å; V46-R57 HydrophobicContact CG1-CG 4.11Å; V46-R57 HydrophobicContact CG2-CG 4.46Å; R57-E59 PolarHBondContact O-N 3.49Å; R57-A60 PolarHBondContact O-N 3.21Å; R57-I61 HydrophobicContact CG-CD1 3.71Å; R57-I61 HydrophobicContact CG-CG1 4.39Å; R57-I61 WeakPolarHBondContact O-CG1 3.49Å; R57-I61 PolarHBondContact O-N 3.17Å
58T97.7Very high97.6Very high96 Ų9634.9 Ų34.959%0.58918%0.183SC*.Hα-helixtrans-58.5-49.6-177.8-55.60000110.5C56 A60 I61 F62C56-T58 VanDerWaalsContact C-N 3.31Å; C56-T58 PolarHBondContact O-N 2.76Å; T58-A60 PolarHBondContact O-N 3.31Å; T58-I61 PolarHBondContact O-N 2.97Å; T58-F62 HydrophobicContact CG2-CD1 4.44Å; T58-F62 WeakPolarHBondContact O-CD1 3.48Å; T58-F62 PolarHBondContact O-N 2.98Å; T58-F62 VanDerWaalsContact O-N 3.13Å
59E96.9Very high97.6Very high10 Ų1035.2 Ų35.25%0.04718%0.184CC..Hα-helixtrans-60.5-45.4178-171.5-177.712600111.9R55 C56 R57 I61 F62 T63 L240 N241R55-E59 HydrophobicContact CG-CB 3.74Å; R55-E59 HydrophobicContact CG-CG 3.83Å; R55-E59 IonicContact CZ-OE1 3.98Å; R55-E59 IonicContact NE-OE1 2.8Å; R55-E59 PolarHBondContact NE-OE1 2.81Å; R55-E59 IonicContact NH2-OE1 2.67Å; C56-E59 PolarHBondContact O-N 3.37Å; R57-E59 PolarHBondContact O-N 3.49Å; E59-I61 VanDerWaalsContact C-N 3.34Å; E59-I61 PolarHBondContact O-N 3.17Å; E59-F62 HydrophobicContact CB-CE1 4.19Å; E59-F62 HydrophobicContact CG-CE1 4.22Å; E59-F62 HydrophobicContact CG-CZ 4.44Å; E59-T63 HydrophobicContact CG-CG2 4.01Å; E59-T63 WeakPolarHBondContact O-CB 2.94Å; E59-T63 WeakPolarHBondContact O-CG2 3.45Å; E59-T63 PolarHBondContact O-N 3.22Å; E59-T63 PolarHBondContact O-OG1 2.89Å; E59-L240 HydrophobicContact CG-CD1 3.74Å; E59-L240 WeakPolarHBondContact OE2-CD1 3.17Å; E59-N241 VanDerWaalsContact OE1-CA 3.25Å; E59-N241 WeakPolarHBondContact OE1-CA 3.24Å; E59-N241 WeakPolarHBondContact OE1-CB 3.48Å; E59-N241 PolarHBondContact OE1-N 2.91Å; E59-N241 PolarHBondContact OE2-N 3.39Å; E59-N241 VanDerWaalsContact OE2-N 3.15Å
60A98.2Very high97.5Very high0 Ų036.2 Ų36.20%019%0.194CC..Hα-helixtrans-58.5-44.5178.200000112.4V46 L49 R55 C56 R57 T58 D64 V65V46-A60 HydrophobicContact CB-CB 4.48Å; V46-A60 HydrophobicContact CG2-CB 4.02Å; L49-A60 HydrophobicContact CB-CB 4.26Å; L49-A60 HydrophobicContact CD1-CB 3.6Å; R55-A60 HydrophobicContact CG-CB 4.07Å; C56-A60 WeakPolarHBondContact O-CB 3.38Å; C56-A60 PolarHBondContact O-N 3.47Å; R57-A60 PolarHBondContact O-N 3.21Å; T58-A60 PolarHBondContact O-N 3.31Å; A60-D64 WeakPolarHBondContact O-CB 3.46Å; A60-D64 PolarHBondContact O-N 3.47Å; A60-D64 VanDerWaalsContact O-N 3.15Å; A60-V65 PolarHBondContact O-N 3.37Å
61I98.2Very high97.4Very high29 Ų2930.9 Ų30.915%0.14917%0.17CC..Iπ-helixtrans-65.2-56.3-179.3-68.5171.1000110.4E42 V46 R57 T58 E59 T63 V65 D66E42-I61 HydrophobicContact CG-CD1 4.49Å; E42-I61 HydrophobicContact CG-CG1 4.16Å; E42-I61 WeakPolarHBondContact OE1-CD1 3.38Å; V46-I61 HydrophobicContact CG2-CG1 3.9Å; R57-I61 HydrophobicContact CG-CD1 3.71Å; R57-I61 HydrophobicContact CG-CG1 4.39Å; R57-I61 WeakPolarHBondContact O-CG1 3.49Å; R57-I61 PolarHBondContact O-N 3.17Å; T58-I61 PolarHBondContact O-N 2.97Å; E59-I61 VanDerWaalsContact C-N 3.34Å; E59-I61 PolarHBondContact O-N 3.17Å; I61-T63 PolarHBondContact O-N 3.22Å; I61-V65 CarbonylContact O-C 3.57Å; I61-V65 WeakPolarHBondContact O-CA 3.49Å; I61-V65 WeakPolarHBondContact O-CB 3.27Å; I61-V65 PolarHBondContact O-N 3.4Å; I61-V65 VanDerWaalsContact O-N 3.08Å; I61-D66 WeakPolarHBondContact CG2-OD2 3.2Å; I61-D66 PolarHBondContact O-N 3.31Å
62F95.8Very high97.4Very high56 Ų5627.6 Ų27.625%0.24614%0.142CC..Iπ-helixtrans-72.3-34-171.786-102.7000112.8T58 E59 T67 Y236 L240T58-F62 HydrophobicContact CG2-CD1 4.44Å; T58-F62 WeakPolarHBondContact O-CD1 3.48Å; T58-F62 PolarHBondContact O-N 2.98Å; T58-F62 VanDerWaalsContact O-N 3.13Å; E59-F62 HydrophobicContact CB-CE1 4.19Å; E59-F62 HydrophobicContact CG-CE1 4.22Å; E59-F62 HydrophobicContact CG-CZ 4.44Å; F62-T67 PolarHBondContact O-OG1 3.06Å; F62-Y236 WeakPolarHBondContact CZ-OH 3.13Å; F62-L240 HydrophobicContact CE1-CD1 4.47Å; F62-L240 HydrophobicContact CZ-CD1 3.77Å
63T95.3Very high97.4Very high13 Ų1331.5 Ų31.58%0.0816%0.16CC..Iπ-helixtrans-82.9-39.6-175.860.70000113.8E59 I61 T67 F117 I120E59-T63 HydrophobicContact CG-CG2 4.01Å; E59-T63 WeakPolarHBondContact O-CB 2.94Å; E59-T63 WeakPolarHBondContact O-CG2 3.45Å; E59-T63 PolarHBondContact O-N 3.22Å; E59-T63 PolarHBondContact O-OG1 2.89Å; I61-T63 PolarHBondContact O-N 3.22Å; T63-T67 WeakPolarHBondContact O-CB 3.15Å; T63-F117 HydrophobicContact CG2-CE1 3.93Å; T63-I120 WeakPolarHBondContact O-CG2 3.35Å
64D97.1Very high97.3Very high0 Ų033.2 Ų33.20%017%0.169CC..Iπ-helixtrans-107.4-42.1-173.7-80.9-96.2000112.9L49 R55 A60 S68 F119 I120L49-D64 HydrophobicContact CD1-CB 3.87Å; R55-D64 IonicContact CZ-OD2 3.03Å; R55-D64 IonicContact NH1-OD2 3.97Å; R55-D64 PolarHBondContact NH1-OD2 3.18Å; A60-D64 WeakPolarHBondContact O-CB 3.46Å; A60-D64 PolarHBondContact O-N 3.47Å; A60-D64 VanDerWaalsContact O-N 3.15Å; D64-S68 VanDerWaalsContact O-CB 3.22Å; D64-S68 WeakPolarHBondContact O-CB 3.47Å; D64-S68 PolarHBondContact O-OG 3.11Å; D64-F119 HydrophobicContact CB-CB 4Å; D64-F119 WeakPolarHBondContact OD1-CB 3.45Å; D64-F119 PolarHBondContact OD1-N 3.14Å; D64-I120 PolarHBondContact OD1-N 2.95Å; D64-I120 VanDerWaalsContact OD1-N 3.14Å
65V98.3Very high97.3Very high1 Ų129.4 Ų29.41%0.00616%0.155CC..Iπ-helixtrans-81.9-66.5-175.4-177.40000110.7F38 E42 I45 A60 I61 T67 S68 V69F38-V65 HydrophobicContact CB-CG1 4.44Å; F38-V65 HydrophobicContact CD1-CB 4.48Å; F38-V65 HydrophobicContact CD1-CG1 4.23Å; E42-V65 HydrophobicContact CG-CG1 4.28Å; E42-V65 HydrophobicContact CG-CG2 4.39Å; I45-V65 HydrophobicContact CB-CG2 4.28Å; I45-V65 HydrophobicContact CD1-CG2 4.4Å; I45-V65 HydrophobicContact CG2-CG2 3.77Å; A60-V65 PolarHBondContact O-N 3.37Å; I61-V65 CarbonylContact O-C 3.57Å; I61-V65 WeakPolarHBondContact O-CA 3.49Å; I61-V65 WeakPolarHBondContact O-CB 3.27Å; I61-V65 PolarHBondContact O-N 3.4Å; I61-V65 VanDerWaalsContact O-N 3.08Å; V65-T67 VanDerWaalsContact C-N 3.32Å; V65-T67 PolarHBondContact O-N 3.45Å; V65-S68 PolarHBondContact O-N 3.42Å; V65-S68 VanDerWaalsContact O-N 3.08Å; V65-V69 HydrophobicContact CG1-CG2 4.5Å; V65-V69 WeakPolarHBondContact O-CG2 3.45Å; V65-V69 PolarHBondContact O-N 3.46Å
66D97.2Very high97.3Very high82 Ų8230.9 Ų30.944%0.43916%0.162SC..Iπ-helixtrans-63.8-37.5-173.6-73.3-17.7000112.1I61 S68 V69 G70I61-D66 WeakPolarHBondContact CG2-OD2 3.2Å; I61-D66 PolarHBondContact O-N 3.31Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 PolarHBondContact O-N 2.95Å; D66-V69 PolarHBondContact O-N 2.92Å; D66-G70 PolarHBondContact O-N 2.8Å
67T95Very high97.3Very high30 Ų3034.3 Ų34.318%0.18419%0.187CC..Hα-helixtrans-65.8-36.8176.7-60.70000111.3F62 T63 V65 E71 I120F62-T67 PolarHBondContact O-OG1 3.06Å; T63-T67 WeakPolarHBondContact O-CB 3.15Å; V65-T67 VanDerWaalsContact C-N 3.32Å; V65-T67 PolarHBondContact O-N 3.45Å; T67-E71 PolarHBondContact O-N 3.48Å; T67-I120 HydrophobicContact CG2-CD1 3.68Å; T67-I120 HydrophobicContact CG2-CG1 4.03Å
68S96.8Very high97.3Very high0 Ų031.9 Ų31.90%018%0.181CC..Hα-helixtrans-71.9-40.6176.1-61.30000112F38 D64 V65 D66 G70 E71 A72 I120F38-S68 VanDerWaalsContact CE2-CB 3.44Å; F38-S68 WeakPolarHBondContact CZ-OG 3.47Å; D64-S68 VanDerWaalsContact O-CB 3.22Å; D64-S68 WeakPolarHBondContact O-CB 3.47Å; D64-S68 PolarHBondContact O-OG 3.11Å; V65-S68 PolarHBondContact O-N 3.42Å; V65-S68 VanDerWaalsContact O-N 3.08Å; D66-S68 VanDerWaalsContact C-N 3.33Å; D66-S68 PolarHBondContact O-N 2.95Å; S68-G70 VanDerWaalsContact C-N 3.33Å; S68-E71 PolarHBondContact O-N 2.83Å; S68-A72 PolarHBondContact O-N 3.33Å; S68-I120 WeakPolarHBondContact OG-CA 3.17Å; S68-I120 WeakPolarHBondContact OG-CD1 3.34Å
69V98.1Very high97.3Very high13 Ų1327.3 Ų27.38%0.07915%0.153CC..Hα-helixtrans-57.7-47.6172.2164.40000110.4L35 F38 L39 V65 D66 E71 A72 Q73L35-V69 HydrophobicContact CD1-CB 4.26Å; L35-V69 HydrophobicContact CD1-CG1 3.74Å; L35-V69 HydrophobicContact CD1-CG2 4.22Å; F38-V69 HydrophobicContact CB-CG2 3.67Å; F38-V69 HydrophobicContact CG-CG2 4.32Å; L39-V69 HydrophobicContact CD2-CG2 4.3Å; V65-V69 HydrophobicContact CG1-CG2 4.5Å; V65-V69 WeakPolarHBondContact O-CG2 3.45Å; V65-V69 PolarHBondContact O-N 3.46Å; D66-V69 PolarHBondContact O-N 2.92Å; V69-E71 PolarHBondContact O-N 3.41Å; V69-A72 PolarHBondContact O-N 3.48Å; V69-Q73 HydrophobicContact CG1-CG 4.44Å; V69-Q73 WeakPolarHBondContact O-CG 3.39Å; V69-Q73 PolarHBondContact O-N 2.94Å
70G96.9Very high97.4Very high21 Ų2130 Ų3022%0.21617%0.168CC..Hα-helixtrans-59.7-44.2177.800000112.4D66 S68 A72 Q73 I74D66-G70 PolarHBondContact O-N 2.8Å; S68-G70 VanDerWaalsContact C-N 3.33Å; G70-A72 PolarHBondContact O-N 3.46Å; G70-Q73 PolarHBondContact O-N 3.49Å; G70-I74 WeakPolarHBondContact O-CB 3.26Å; G70-I74 WeakPolarHBondContact O-CD1 3.33Å; G70-I74 VanDerWaalsContact O-CG1 3.26Å; G70-I74 WeakPolarHBondContact O-CG1 3.38Å; G70-I74 PolarHBondContact O-N 3.35Å
71E96.8Very high97.3Very high4 Ų433.4 Ų33.42%0.01919%0.192CC..Hα-helixtrans-60-45.4175.3-169.979.6-163.600111.6T67 S68 V69 Q73 I74 M75 Q124 I127 R418 G419T67-E71 PolarHBondContact O-N 3.48Å; S68-E71 PolarHBondContact O-N 2.83Å; V69-E71 PolarHBondContact O-N 3.41Å; E71-Q73 PolarHBondContact O-N 2.91Å; E71-I74 PolarHBondContact O-N 2.77Å; E71-M75 WeakPolarHBondContact O-CB 3.47Å; E71-M75 PolarHBondContact O-N 3.19Å; E71-Q124 HydrophobicContact CB-CG 4.44Å; E71-Q124 HydrophobicContact CG-CG 3.78Å; E71-Q124 PolarHBondContact OE2-NE2 3.01Å; E71-I127 HydrophobicContact CB-CD1 4.12Å; E71-I127 HydrophobicContact CG-CD1 4.16Å; E71-I127 HydrophobicContact CG-CG2 4.29Å; E71-R418 IonicContact OE2-NE 3.85Å; E71-R418 IonicContact OE2-NH2 3.67Å; E71-G419 PolarHBondContact OE1-N 3.39Å
72A98.2Very high97.3Very high0 Ų033.4 Ų33.40%019%0.19CC..Hα-helixtrans-62.6-43.2178.800000111.7I31 L35 S68 V69 G70 M75 L76 I127I31-A72 HydrophobicContact CG2-CB 3.95Å; L35-A72 HydrophobicContact CD1-CB 4.49Å; S68-A72 PolarHBondContact O-N 3.33Å; V69-A72 PolarHBondContact O-N 3.48Å; G70-A72 PolarHBondContact O-N 3.46Å; A72-M75 PolarHBondContact O-N 3.47Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 VanDerWaalsContact O-CG 3.27Å; A72-L76 WeakPolarHBondContact O-CG 2.85Å; A72-L76 PolarHBondContact O-N 3.02Å; A72-I127 HydrophobicContact CB-CD1 3.95Å
73Q98Very high97.3Very high100 Ų10031.9 Ų31.947%0.46718%0.184SC..Hα-helixtrans-65-45.1177.7-73174-13.900112.4L35 V69 G70 E71 M75 L76 S77L35-Q73 HydrophobicContact CD1-CG 4.23Å; V69-Q73 HydrophobicContact CG1-CG 4.44Å; V69-Q73 WeakPolarHBondContact O-CG 3.39Å; V69-Q73 PolarHBondContact O-N 2.94Å; G70-Q73 PolarHBondContact O-N 3.49Å; E71-Q73 PolarHBondContact O-N 2.91Å; Q73-M75 VanDerWaalsContact C-N 3.31Å; Q73-M75 PolarHBondContact O-N 3.4Å; Q73-L76 PolarHBondContact O-N 3.46Å; Q73-S77 WeakPolarHBondContact O-CB 3.43Å; Q73-S77 PolarHBondContact O-N 2.89Å; Q73-S77 PolarHBondContact O-OG 2.86Å
74I97.3Very high97.4Very high37 Ų3739.5 Ų39.519%0.1921%0.212CC..Hα-helixtrans-59.7-46175.4-73.9162.3000109.8G70 E71 S77 N78 W82 P402G70-I74 WeakPolarHBondContact O-CB 3.26Å; G70-I74 WeakPolarHBondContact O-CD1 3.33Å; G70-I74 VanDerWaalsContact O-CG1 3.26Å; G70-I74 WeakPolarHBondContact O-CG1 3.38Å; G70-I74 PolarHBondContact O-N 3.35Å; E71-I74 PolarHBondContact O-N 2.77Å; I74-S77 PolarHBondContact O-N 3.19Å; I74-N78 PolarHBondContact O-N 3.46Å; I74-N78 PolarHBondContact O-ND2 3.48Å; I74-W82 HydrophobicContact CG2-CH2 3.59Å; I74-W82 HydrophobicContact CG2-CZ3 4.28Å; I74-P402 HydrophobicContact CD1-CB 3.36Å; I74-P402 HydrophobicContact CD1-CG 4.31Å
75M98Very high97.3Very high0 Ų043.4 Ų43.40%023%0.23CC..Hα-helixtrans-61.6-50.2178.8-170.861.772.400111.2I31 E71 A72 Q73 S77 N78 I79 W82 I127 A131 I423I31-M75 HydrophobicContact CD1-CG 3.75Å; E71-M75 WeakPolarHBondContact O-CB 3.47Å; E71-M75 PolarHBondContact O-N 3.19Å; A72-M75 PolarHBondContact O-N 3.47Å; Q73-M75 VanDerWaalsContact C-N 3.31Å; Q73-M75 PolarHBondContact O-N 3.4Å; M75-S77 PolarHBondContact O-N 3.32Å; M75-N78 PolarHBondContact O-N 3.04Å; M75-N78 VanDerWaalsContact O-N 3.14Å; M75-I79 VanDerWaalsContact O-CB 3.23Å; M75-I79 WeakPolarHBondContact O-CB 3.32Å; M75-I79 PolarHBondContact O-N 3.32Å; M75-I79 HydrophobicContact SD-CB 4.47Å; M75-W82 HydrophobicContact CE-CZ3 4.26Å; M75-W82 HydrophobicContact SD-CE3 3.95Å; M75-W82 HydrophobicContact SD-CZ3 3.92Å; M75-I127 HydrophobicContact CB-CG2 3.76Å; M75-I127 HydrophobicContact CE-CG2 4.27Å; M75-I127 HydrophobicContact CG-CG2 3.88Å; M75-A131 HydrophobicContact CE-CB 3.92Å; M75-A131 HydrophobicContact CG-CB 3.56Å; M75-A131 HydrophobicContact SD-CB 3.39Å; M75-A131 WeakPolarHBondContact SD-CB 3.37Å; M75-I423 HydrophobicContact CE-CD1 4.23Å; M75-I423 HydrophobicContact CE-CG1 4.25Å; M75-I423 HydrophobicContact SD-CD1 3.74Å; M75-I423 HydrophobicContact SD-CG1 3.96Å
76L98.5Very high97.2Very high31 Ų3145.5 Ų45.516%0.16224%0.239CC..Hα-helixtrans-57.6-35.1178.3-75.6169.2000113K28 I31 R32 L35 A72 Q73K28-L76 HydrophobicContact CB-CD2 3.96Å; K28-L76 HydrophobicContact CG-CD2 4.06Å; I31-L76 HydrophobicContact CB-CD2 3.97Å; I31-L76 HydrophobicContact CB-CG 4.27Å; I31-L76 HydrophobicContact CG2-CD1 4.11Å; I31-L76 HydrophobicContact CG2-CD2 3.96Å; I31-L76 HydrophobicContact CG2-CG 3.67Å; R32-L76 HydrophobicContact CG-CD1 3.84Å; R32-L76 HydrophobicContact CG-CD2 3.95Å; L35-L76 HydrophobicContact CD2-CD1 4.46Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 VanDerWaalsContact O-CG 3.27Å; A72-L76 WeakPolarHBondContact O-CG 2.85Å; A72-L76 PolarHBondContact O-N 3.02Å; Q73-L76 PolarHBondContact O-N 3.46Å
77S97.9Very high97Very high93 Ų9346.6 Ų46.665%0.6525%0.254SS*.Hα-helixtrans-77-23.3-177.9-560000113.2Q73 I74 M75Q73-S77 WeakPolarHBondContact O-CB 3.43Å; Q73-S77 PolarHBondContact O-N 2.89Å; Q73-S77 PolarHBondContact O-OG 2.86Å; I74-S77 PolarHBondContact O-N 3.19Å; M75-S77 PolarHBondContact O-N 3.32Å
78N98Very high96.9Very high54 Ų5447.8 Ų47.829%0.28926%0.261SS..Hα-helixtrans-122.6-12.9-169.4-65.3-82.8000114.9I74 M75 D80 S81 W82I74-N78 PolarHBondContact O-N 3.46Å; I74-N78 PolarHBondContact O-ND2 3.48Å; M75-N78 PolarHBondContact O-N 3.04Å; M75-N78 VanDerWaalsContact O-N 3.14Å; N78-D80 VanDerWaalsContact C-N 3.28Å; N78-D80 PolarHBondContact O-N 3.14Å; N78-D80 VanDerWaalsContact O-N 3.16Å; N78-S81 PolarHBondContact O-N 3.45Å; N78-W82 HydrophobicContact CB-CD2 3.58Å; N78-W82 HydrophobicContact CB-CE3 3.85Å; N78-W82 HydrophobicContact CB-CG 4.24Å; N78-W82 HydrophobicContact CB-CH2 3.74Å; N78-W82 HydrophobicContact CB-CZ2 3.44Å; N78-W82 VanDerWaalsContact CB-CZ2 3.44Å; N78-W82 HydrophobicContact CB-CZ3 3.92Å; N78-W82 PolarHBondContact O-N 3.44Å
79I97.7Very high96.4Very high0 Ų053.4 Ų53.40%030%0.297CS..Hα-helixtrans-53.4-39.2-172.6-171.3172.6000113.4L24 R27 K28 I31 M75 S81 W82 L83 A131L24-I79 HydrophobicContact CD2-CG1 4.27Å; R27-I79 HydrophobicContact CB-CD1 4.1Å; K28-I79 HydrophobicContact CD-CG2 4.36Å; K28-I79 VanDerWaalsContact CE-CG2 3.45Å; K28-I79 HydrophobicContact CG-CG2 3.98Å; I31-I79 HydrophobicContact CD1-CD1 4.1Å; M75-I79 VanDerWaalsContact O-CB 3.23Å; M75-I79 WeakPolarHBondContact O-CB 3.32Å; M75-I79 PolarHBondContact O-N 3.32Å; M75-I79 HydrophobicContact SD-CB 4.47Å; I79-S81 VanDerWaalsContact C-N 3.32Å; I79-S81 PolarHBondContact O-N 3.2Å; I79-W82 PolarHBondContact O-N 3.25Å; I79-L83 HydrophobicContact CD1-CD1 4.06Å; I79-L83 HydrophobicContact CG1-CD1 3.53Å; I79-L83 HydrophobicContact CG1-CG 4.2Å; I79-L83 WeakPolarHBondContact O-CB 3.09Å; I79-L83 PolarHBondContact O-N 2.97Å; I79-A131 HydrophobicContact CD1-CB 3.67Å; I79-A131 HydrophobicContact CG1-CB 4.37Å
80D97.7Very high95.5Very high66 Ų6656.3 Ų56.335%0.35332%0.318SS..Hα-helixtrans-61.2-40.9177.7-55.5-110.9000112.1K28 N78 R84K28-D80 WeakPolarHBondContact CE-OD2 3.34Å; K28-D80 IonicContact NZ-OD1 2.71Å; K28-D80 PolarHBondContact NZ-OD1 3.42Å; K28-D80 IonicContact NZ-OD2 3.82Å; K28-D80 PolarHBondContact NZ-OD2 3.29Å; N78-D80 VanDerWaalsContact C-N 3.28Å; N78-D80 PolarHBondContact O-N 3.14Å; N78-D80 VanDerWaalsContact O-N 3.16Å; D80-R84 PolarHBondContact O-N 2.98Å
81S97.4Very high94.6Very high72 Ų7257.5 Ų57.550%0.50332%0.323SS..Hα-helixtrans-76.7-38.5179.1-1740000111.4N78 I79 R84N78-S81 PolarHBondContact O-N 3.45Å; I79-S81 VanDerWaalsContact C-N 3.32Å; I79-S81 PolarHBondContact O-N 3.2Å; S81-R84 WeakPolarHBondContact O-CB 3.31Å; S81-R84 PolarHBondContact O-N 3.45Å
82W96.9Very high93.6Very high28 Ų2860.4 Ų60.411%0.10634%0.336CS..Hα-helixtrans-74-29.9-176.1-66.8-13.1000113I74 M75 N78 I79 K103 N403 G419 R420 I423I74-W82 HydrophobicContact CG2-CH2 3.59Å; I74-W82 HydrophobicContact CG2-CZ3 4.28Å; M75-W82 HydrophobicContact CE-CZ3 4.26Å; M75-W82 HydrophobicContact SD-CE3 3.95Å; M75-W82 HydrophobicContact SD-CZ3 3.92Å; N78-W82 HydrophobicContact CB-CD2 3.58Å; N78-W82 HydrophobicContact CB-CE3 3.85Å; N78-W82 HydrophobicContact CB-CG 4.24Å; N78-W82 HydrophobicContact CB-CH2 3.74Å; N78-W82 HydrophobicContact CB-CZ2 3.44Å; N78-W82 VanDerWaalsContact CB-CZ2 3.44Å; N78-W82 HydrophobicContact CB-CZ3 3.92Å; N78-W82 PolarHBondContact O-N 3.44Å; I79-W82 PolarHBondContact O-N 3.25Å; W82-K103 WeakPolarHBondContact O-CD 3.33Å; W82-K103 VanDerWaalsContact O-CE 3.28Å; W82-K103 WeakPolarHBondContact O-CE 3.33Å; W82-K103 PolarHBondContact O-NZ 3.46Å; W82-N403 WeakPolarHBondContact CH2-OD1 3.13Å; W82-G419 VanDerWaalsContact CH2-C 3.46Å; W82-R420 HydrophobicContact CD2-CB 3.82Å; W82-R420 HydrophobicContact CD2-CG 4.27Å; W82-R420 HydrophobicContact CE3-CB 4.25Å; W82-R420 HydrophobicContact CG-CB 4.24Å; W82-R420 HydrophobicContact CG-CG 4.16Å; W82-R420 HydrophobicContact CH2-CB 4.29Å; W82-R420 HydrophobicContact CZ2-CB 3.88Å; W82-R420 HydrophobicContact CZ3-CB 4.48Å; W82-I423 HydrophobicContact CB-CB 4.47Å; W82-I423 HydrophobicContact CB-CG1 4.1Å; W82-I423 HydrophobicContact CB-CG2 4.4Å; W82-I423 HydrophobicContact CE3-CG1 3.99Å
83L96.6Very high92.6Very high24 Ų2464.4 Ų64.413%0.12636%0.357CS..SBendtrans-87.7-9.3175.3-71.6172.1000114.4L24 R27 I79 E85 K103 A131 I423L24-L83 HydrophobicContact CD2-CD1 3.51Å; R27-L83 VanDerWaalsContact NH1-CD1 3.28Å; I79-L83 HydrophobicContact CD1-CD1 4.06Å; I79-L83 HydrophobicContact CG1-CD1 3.53Å; I79-L83 HydrophobicContact CG1-CG 4.2Å; I79-L83 WeakPolarHBondContact O-CB 3.09Å; I79-L83 PolarHBondContact O-N 2.97Å; L83-E85 PolarHBondContact O-N 3.36Å; L83-K103 HydrophobicContact CD2-CB 4.35Å; L83-A131 WeakPolarHBondContact CD1-O 3.32Å; L83-I423 HydrophobicContact CD2-CD1 4.29Å; L83-I423 HydrophobicContact CD2-CG2 3.66Å; L83-I423 HydrophobicContact CG-CD1 4.38Å; L83-I423 HydrophobicContact CG-CG2 4.28Å
84R96.5Very high91.7Very high174 Ų17460.9 Ų60.966%0.65734%0.342SS*.SBendtrans-55.2140.3176.9-170.2179-65.7-178.8-0.3110.4D80 S81 E86 K103D80-R84 PolarHBondContact O-N 2.98Å; S81-R84 WeakPolarHBondContact O-CB 3.31Å; S81-R84 PolarHBondContact O-N 3.45Å; R84-E86 PolarHBondContact O-N 3.26Å; R84-K103 PolarHBondContact O-NZ 3.45Å
85E95.2Very high91Very high81 Ų8164.8 Ų64.838%0.37936%0.362SS..PPolyproline II helixtrans-58.8135173-66.2-164175.500110.5L83 T100 I101 Q102L83-E85 PolarHBondContact O-N 3.36Å; E85-T100 WeakPolarHBondContact OE2-CB 3.44Å; E85-T100 PolarHBondContact OE2-OG1 3.32Å; E85-I101 WeakPolarHBondContact CA-O 3.25Å; E85-Q102 HydrophobicContact CG-CB 4.27Å; E85-Q102 HydrophobicContact CG-CG 4.36Å; E85-Q102 PolarHBondContact OE1-NE2 2.93Å
86E95.8Very high90.4Very high45 Ų4569.6 Ų69.621%0.2139%0.386CS..EExtended strand (participates in β ladder)trans-91.3120.8179.1-63.4164.7-162.100108.7R84 T100 I101 K103 R429R84-E86 PolarHBondContact O-N 3.26Å; E86-T100 CarbonylContact O-C 3.43Å; E86-T100 WeakPolarHBondContact O-CA 3.27Å; E86-I101 HydrophobicContact CB-CB 4.24Å; E86-I101 PolarHBondContact N-O 2.89Å; E86-I101 PolarHBondContact O-N 3.01Å; E86-K103 WeakPolarHBondContact OE1-CE 3.47Å; E86-K103 IonicContact OE1-NZ 3.74Å; E86-K103 PolarHBondContact OE1-NZ 3.07Å; E86-R429 IonicContact OE2-CZ 3.78Å; E86-R429 IonicContact OE2-NH2 2.81Å; E86-R429 PolarHBondContact OE2-NH2 2.96Å
87S94.4Very high89.8Confident106 Ų10668.5 Ų68.574%0.74138%0.38SS*.EExtended strand (participates in β ladder)trans-70.9134.4171.2-550000110.4
88V91.8Very high89.5Confident54 Ų5468 Ų6833%0.32737%0.374SS..PPolyproline II helixtrans-95.8134.1175.8-1780000108.9S90 V99 I101V88-S90 PolarHBondContact O-N 3.37Å; V88-V99 HydrophobicContact CB-CB 4.09Å; V88-V99 HydrophobicContact CB-CG1 3.78Å; V88-V99 HydrophobicContact CG1-CG1 4.29Å; V88-V99 HydrophobicContact CG2-CG1 3.95Å; V88-V99 PolarHBondContact N-O 3.37Å; V88-I101 HydrophobicContact CG2-CD1 3.84Å; V88-I101 HydrophobicContact CG2-CG1 3.71Å
89P87Confident89.3Confident118 Ų11866.6 Ų66.677%0.76637%0.367SS*.PPolyproline II helixtrans-54.6130.5174-26.334.9000111.8S91P89-S91 PolarHBondContact O-N 2.93Å
90S79.1Confident89.3Confident74 Ų7467.2 Ų67.252%0.51737%0.37SS..PPolyproline II helixtrans-63.2134179.3-550000111.1V88V88-S90 PolarHBondContact O-N 3.37Å
91S78.5Confident89.2Confident46 Ų4665.6 Ų65.632%0.32236%0.362SS..PPolyproline II helixtrans-91.2171.8165.173.80000110.2P89 I93 T94 L95P89-S91 PolarHBondContact O-N 2.93Å; S91-I93 PolarHBondContact O-N 3.37Å; S91-I93 PolarHBondContact OG-N 3.45Å; S91-T94 PolarHBondContact N-OG1 3.2Å; S91-T94 CarbonylContact O-C 3.52Å; S91-T94 PolarHBondContact O-N 3.04Å; S91-T94 PolarHBondContact O-OG1 3.2Å; S91-T94 PolarHBondContact OG-N 2.92Å; S91-T94 PolarHBondContact OG-OG1 2.99Å; S91-T94 VanDerWaalsContact OG-OG1 3.14Å; S91-L95 PolarHBondContact O-N 3.35Å; S91-L95 VanDerWaalsContact O-N 3.08Å
92F75.5Confident89.2Confident65 Ų6564.9 Ų64.929%0.28535%0.35SS..G310 helixtrans-56.7-33.1173-176-95.1000112.5T94 W457 W460F92-T94 VanDerWaalsContact C-N 3.29Å; F92-T94 PolarHBondContact O-N 3.25Å; F92-W457 AromaticContact CE1-CH2 3.73Å; F92-W457 HydrophobicContact CE1-CH2 3.73Å; F92-W457 AromaticContact CE1-CZ2 3.75Å; F92-W457 HydrophobicContact CE1-CZ2 3.75Å; F92-W457 HydrophobicContact CZ-CH2 4.43Å; F92-W457 HydrophobicContact CZ-CZ2 4.02Å; F92-W460 HydrophobicContact CE1-CZ3 4.17Å; F92-W460 HydrophobicContact CE2-CH2 4.27Å; F92-W460 HydrophobicContact CE2-CZ3 4.05Å; F92-W460 HydrophobicContact CZ-CH2 4.27Å; F92-W460 AromaticContact CZ-CZ3 3.62Å; F92-W460 HydrophobicContact CZ-CZ3 3.62Å
93I76Confident89.3Confident85 Ų8564.4 Ų64.444%0.43635%0.349SS..G310 helixtrans-75.4-19.6-179.8-59.6172.9000111.9S91 E439 L462S91-I93 PolarHBondContact O-N 3.37Å; S91-I93 PolarHBondContact OG-N 3.45Å; I93-E439 VanDerWaalsContact O-OE1 3.09Å; I93-L462 HydrophobicContact CD1-CD2 4.37Å
94T81.1Confident89.3Confident25 Ų2566 Ų6615%0.15336%0.356CS..G310 helixtrans-124.324.8-173.863.90000111.2S91 F92 M96 D97 V99S91-T94 PolarHBondContact N-OG1 3.2Å; S91-T94 CarbonylContact O-C 3.52Å; S91-T94 PolarHBondContact O-N 3.04Å; S91-T94 PolarHBondContact O-OG1 3.2Å; S91-T94 PolarHBondContact OG-N 2.92Å; S91-T94 PolarHBondContact OG-OG1 2.99Å; S91-T94 VanDerWaalsContact OG-OG1 3.14Å; F92-T94 VanDerWaalsContact C-N 3.29Å; F92-T94 PolarHBondContact O-N 3.25Å; T94-M96 PolarHBondContact O-N 3.07Å; T94-D97 PolarHBondContact O-N 3.29Å; T94-D97 VanDerWaalsContact O-N 3.1Å; T94-V99 HydrophobicContact CG2-CG2 4.05Å
95L82.3Confident89.3Confident120 Ų12059.5 Ų59.563%0.62834%0.336SS*.THydrogen-bonded Turntrans-62.5-32.8-171.9-174.167.2000112.4S91S91-L95 PolarHBondContact O-N 3.35Å; S91-L95 VanDerWaalsContact O-N 3.08Å
96M84.2Confident89.5Confident100 Ų10059.3 Ų59.349%0.49333%0.333SS..THydrogen-bonded Turntrans-101.51.8178.2-63.1-177.8178.700112.8T94 S436 V438T94-M96 PolarHBondContact O-N 3.07Å; M96-S436 VanDerWaalsContact O-CB 3.23Å; M96-S436 WeakPolarHBondContact O-CB 3.42Å; M96-V438 HydrophobicContact SD-CB 4.43Å; M96-V438 HydrophobicContact SD-CG1 4.26Å
97D87.2Confident89.6Confident9 Ų957.4 Ų57.45%0.04833%0.325CS..SBendtrans-100.4151.9-175.4-64.9-17.2000110.8T94 V99 L434 K435 S436T94-D97 PolarHBondContact O-N 3.29Å; T94-D97 VanDerWaalsContact O-N 3.1Å; D97-V99 HydrophobicContact CB-CG2 4.44Å; D97-L434 WeakPolarHBondContact CA-O 3.49Å; D97-K435 VanDerWaalsContact OD1-CA 3.28Å; D97-K435 WeakPolarHBondContact OD1-CA 3.46Å; D97-K435 IonicContact OD1-NZ 3.37Å; D97-K435 IonicContact OD2-NZ 3.85Å; D97-K435 PolarHBondContact OD2-NZ 2.84Å; D97-S436 PolarHBondContact OD1-N 3.49Å
98T91.1Very high89.8Confident83 Ų8352.4 Ų52.451%0.50929%0.29SS..EExtended strand (participates in β ladder)trans-93.2119.3166.1-62.60000108.5T100 I433 L434T98-T100 HydrophobicContact CG2-CG2 4.08Å; T98-I433 WeakPolarHBondContact O-CA 3.37Å; T98-L434 HydrophobicContact CG2-CD1 3.91Å; T98-L434 PolarHBondContact N-O 3.45Å; T98-L434 PolarHBondContact O-N 2.78Å
99V93.9Very high90.2Very high24 Ų2449.8 Ų49.815%0.14527%0.274CS..EExtended strand (participates in β ladder)trans-117.5118176.8-172.40000109.1V88 T94 D97 V432 I433V88-V99 HydrophobicContact CB-CB 4.09Å; V88-V99 HydrophobicContact CB-CG1 3.78Å; V88-V99 HydrophobicContact CG1-CG1 4.29Å; V88-V99 HydrophobicContact CG2-CG1 3.95Å; V88-V99 PolarHBondContact N-O 3.37Å; T94-V99 HydrophobicContact CG2-CG2 4.05Å; D97-V99 HydrophobicContact CB-CG2 4.44Å; V99-V432 WeakPolarHBondContact CA-O 3.49Å; V99-I433 HydrophobicContact CG1-CG1 4.12Å; V99-I433 HydrophobicContact CG2-CG1 4.4Å; V99-I433 HydrophobicContact CG2-CG2 4.4Å
100T96.5Very high90.7Very high12 Ų1244.2 Ų44.27%0.07424%0.238CC..EExtended strand (participates in β ladder)trans-126.6163.1175.865.40000111.7E85 E86 T98 P431 V432E85-T100 WeakPolarHBondContact OE2-CB 3.44Å; E85-T100 PolarHBondContact OE2-OG1 3.32Å; E86-T100 CarbonylContact O-C 3.43Å; E86-T100 WeakPolarHBondContact O-CA 3.27Å; T98-T100 HydrophobicContact CG2-CG2 4.08Å; T100-P431 WeakPolarHBondContact O-CA 3.28Å; T100-V432 PolarHBondContact N-O 2.79Å; T100-V432 PolarHBondContact O-N 2.93Å
101I97.3Very high91.7Very high33 Ų3340.7 Ų40.717%0.16921%0.213CC..EExtended strand (participates in β ladder)trans-114.3116.8168.5-59.2167.7000107.5E85 E86 V88 R429E85-I101 WeakPolarHBondContact CA-O 3.25Å; E86-I101 HydrophobicContact CB-CB 4.24Å; E86-I101 PolarHBondContact N-O 2.89Å; E86-I101 PolarHBondContact O-N 3.01Å; V88-I101 HydrophobicContact CG2-CD1 3.84Å; V88-I101 HydrophobicContact CG2-CG1 3.71Å; I101-R429 HydrophobicContact CG2-CB 3.78Å; I101-R429 HydrophobicContact CG2-CG 4.35Å
102Q97.1Very high92.6Very high56 Ų5639 Ų3926%0.26220%0.2SC..EExtended strand (participates in β ladder)trans-95.6134.8176.1-175.2177.576.500110.3E85 Q104 R430 V432E85-Q102 HydrophobicContact CG-CB 4.27Å; E85-Q102 HydrophobicContact CG-CG 4.36Å; E85-Q102 PolarHBondContact OE1-NE2 2.93Å; Q102-Q104 HydrophobicContact CG-CG 4.09Å; Q102-R430 PolarHBondContact N-O 2.81Å; Q102-R430 PolarHBondContact O-N 2.89Å; Q102-V432 HydrophobicContact CB-CG2 3.93Å
103K97.4Very high93.7Very high18 Ų1836.2 Ų36.28%0.07819%0.189CC..EExtended strand (participates in β ladder)trans-94116.7174-59.4-172.2-170.4800109.3W82 L83 R84 E86 I423 H428W82-K103 WeakPolarHBondContact O-CD 3.33Å; W82-K103 VanDerWaalsContact O-CE 3.28Å; W82-K103 WeakPolarHBondContact O-CE 3.33Å; W82-K103 PolarHBondContact O-NZ 3.46Å; L83-K103 HydrophobicContact CD2-CB 4.35Å; R84-K103 PolarHBondContact O-NZ 3.45Å; E86-K103 WeakPolarHBondContact OE1-CE 3.47Å; E86-K103 IonicContact OE1-NZ 3.74Å; E86-K103 PolarHBondContact OE1-NZ 3.07Å; K103-I423 HydrophobicContact CD-CG2 3.8Å; K103-H428 WeakPolarHBondContact CA-O 3.45Å
104Q96.6Very high94.8Very high57 Ų5732.7 Ų32.727%0.26617%0.172SC..EExtended strand (participates in β ladder)trans-115.3144.6-179.8-59.9-167.8-43.500110.2Q102 S427 H428 R430Q102-Q104 HydrophobicContact CG-CG 4.09Å; Q104-S427 CarbonylContact O-C 3.52Å; Q104-S427 VanDerWaalsContact O-CA 3.22Å; Q104-S427 WeakPolarHBondContact O-CA 3.3Å; Q104-H428 PolarHBondContact N-O 3.47Å; Q104-H428 PolarHBondContact O-N 3.4Å; Q104-R430 VanDerWaalsContact OE1-CD 3.3Å
105P98.1Very high95.6Very high39 Ų3932.7 Ų32.725%0.25317%0.169SC..EExtended strand (participates in β ladder)trans-59.8152.2172.125.7-33.3000111A132 G133 N134P105-A132 WeakPolarHBondContact CB-O 3.43Å; P105-G133 WeakPolarHBondContact CB-O 3.43Å; P105-N134 WeakPolarHBondContact CB-OD1 3.49Å
106Y98.3Very high96.4Very high77 Ų7727.1 Ų27.130%0.30214%0.14SC..  trans-70.9-43.4169.5-82.8-78.2000111.7N134 D184 L185 P208 T425 H428Y106-N134 WeakPolarHBondContact CA-OD1 3.33Å; Y106-N134 PolarHBondContact N-OD1 3.3Å; Y106-D184 WeakPolarHBondContact CD1-O 3.23Å; Y106-D184 VanDerWaalsContact O-CB 3.3Å; Y106-D184 WeakPolarHBondContact O-CB 3.38Å; Y106-L185 HydrophobicContact CD2-CB 4.26Å; Y106-L185 HydrophobicContact CD2-CD1 3.82Å; Y106-L185 HydrophobicContact CE2-CD1 3.69Å; Y106-L185 HydrophobicContact CG-CB 4.23Å; Y106-P208 HydrophobicContact CD1-CG 4.3Å; Y106-P208 HydrophobicContact CE1-CG 3.86Å; Y106-T425 WeakPolarHBondContact CE2-O 3.4Å; Y106-H428 HydrophobicContact CE1-CB 4.33Å
107G98.5Very high97.1Very high5 Ų523.2 Ų23.25%0.05212%0.12CC..SBendtrans138.1-111.2-176.200000111.4V16 N134 S135V16-G107 WeakPolarHBondContact CG2-O 3.17Å; G107-N134 PolarHBondContact N-OD1 3.42Å; G107-N134 WeakPolarHBondContact O-CA 3.37Å; G107-N134 WeakPolarHBondContact O-CB 3.39Å; G107-S135 PolarHBondContact O-N 2.91Å
108V98.7Very high97.6Very high0 Ų022.9 Ų22.90%012%0.118CC..EExtended strand (participates in β ladder)trans-97.5117.5176.2-172.30000109.9L12 R13 V16 S135 F183 D184L12-V108 HydrophobicContact CB-CG1 4.08Å; L12-V108 HydrophobicContact CB-CG2 4.38Å; L12-V108 HydrophobicContact CD1-CG1 4.32Å; R13-V108 HydrophobicContact CB-CG2 3.92Å; R13-V108 HydrophobicContact CG-CG2 4.15Å; V16-V108 HydrophobicContact CG2-CG2 3.98Å; V108-S135 CarbonylContact C-O 3.54Å; V108-S135 WeakPolarHBondContact CA-O 3.26Å; V108-F183 HydrophobicContact CG1-CD1 3.94Å; V108-F183 HydrophobicContact CG1-CE1 4.11Å; V108-D184 PolarHBondContact N-OD2 2.84Å; V108-D184 PolarHBondContact O-N 3.16Å
109V98.9Very high98Very high0 Ų018.9 Ų18.90%09%0.094CC..EExtended strand (participates in β ladder)trans-98.8136.2178.7176.20000109.9I111 N134 S135 V136 L137 L185 F426V109-I111 HydrophobicContact CG1-CG1 4.04Å; V109-N134 HydrophobicContact CB-CB 4.46Å; V109-N134 HydrophobicContact CG2-CB 3.61Å; V109-S135 PolarHBondContact N-O 3.25Å; V109-V136 HydrophobicContact CB-CG2 4.4Å; V109-V136 CarbonylContact O-C 3.45Å; V109-V136 WeakPolarHBondContact O-CA 3.43Å; V109-L137 PolarHBondContact O-N 2.9Å; V109-L185 WeakPolarHBondContact CA-O 3.4Å; V109-L185 HydrophobicContact CG1-CD2 3.85Å; V109-L185 HydrophobicContact CG2-CB 4.25Å; V109-F426 HydrophobicContact CG1-CD1 4.19Å; V109-F426 HydrophobicContact CG1-CE1 3.92Å; V109-F426 HydrophobicContact CG2-CD1 4.32Å
110L98.9Very high98.2Very high0 Ų018.3 Ų18.30%09%0.09CC..EExtended strand (participates in β ladder)trans-95.9125165.9171.660.8000109.1M112 L137 K139 I177 L178 F183 L185 I186 F187L110-M112 HydrophobicContact CD1-CG 4.01Å; L110-M112 HydrophobicContact CD2-CG 4.04Å; L110-M112 HydrophobicContact CD2-SD 3.92Å; L110-M112 HydrophobicContact CG-CG 3.88Å; L110-M112 HydrophobicContact CG-SD 4.42Å; L110-L137 WeakPolarHBondContact CA-O 3.33Å; L110-L137 HydrophobicContact CD1-CB 4.36Å; L110-L137 HydrophobicContact CD1-CD2 4.04Å; L110-L137 HydrophobicContact CD1-CG 4.12Å; L110-K139 HydrophobicContact CD1-CB 4.49Å; L110-I177 HydrophobicContact CD1-CG2 4.04Å; L110-I177 HydrophobicContact CD2-CG2 3.7Å; L110-L178 HydrophobicContact CD2-CD2 3.88Å; L110-F183 HydrophobicContact CB-CB 4.33Å; L110-F183 HydrophobicContact CB-CD1 3.61Å; L110-F183 HydrophobicContact CB-CD2 3.88Å; L110-F183 HydrophobicContact CB-CE1 3.83Å; L110-F183 HydrophobicContact CB-CE2 4.1Å; L110-F183 HydrophobicContact CB-CG 3.64Å; L110-F183 HydrophobicContact CB-CZ 4.09Å; L110-F183 HydrophobicContact CD1-CZ 4.37Å; L110-F183 HydrophobicContact CD2-CD2 3.98Å; L110-F183 HydrophobicContact CD2-CE2 3.83Å; L110-F183 HydrophobicContact CD2-CZ 4.33Å; L110-F183 HydrophobicContact CG-CE2 4.42Å; L110-F183 HydrophobicContact CG-CZ 4.5Å; L110-L185 PolarHBondContact N-O 3.01Å; L110-I186 HydrophobicContact CB-CG1 4.11Å; L110-I186 HydrophobicContact CB-CG2 4.47Å; L110-I186 HydrophobicContact CD2-CG1 4.2Å; L110-I186 HydrophobicContact CD2-CG2 4.11Å; L110-I186 HydrophobicContact CG-CG2 4.36Å; L110-F187 PolarHBondContact O-N 3.27Å
111I98.9Very high98.3Very high0 Ų018.7 Ų18.70%09%0.091CC..EExtended strand (participates in β ladder)trans-110.3120.3169.3-61.9178.3000108.3V109 P125 L126 V136 L137 L138 K139 F187V109-I111 HydrophobicContact CG1-CG1 4.04Å; I111-P125 HydrophobicContact CD1-CB 3.86Å; I111-P125 HydrophobicContact CD1-CG 4.13Å; I111-P125 HydrophobicContact CG1-CB 4.47Å; I111-P125 HydrophobicContact CG2-CB 4.41Å; I111-P125 HydrophobicContact CG2-CG 3.85Å; I111-L126 HydrophobicContact CD1-CB 4.07Å; I111-V136 HydrophobicContact CB-CG1 4.33Å; I111-V136 HydrophobicContact CD1-CG1 3.68Å; I111-V136 HydrophobicContact CG1-CG1 3.87Å; I111-L137 PolarHBondContact N-O 2.91Å; I111-L138 HydrophobicContact CB-CD1 3.83Å; I111-L138 HydrophobicContact CG2-CD1 3.55Å; I111-L138 CarbonylContact O-C 3.52Å; I111-K139 PolarHBondContact O-N 2.85Å; I111-F187 CarbonylContact C-O 3.21Å; I111-F187 WeakPolarHBondContact CA-O 3.35Å; I111-F187 HydrophobicContact CG1-CB 4.25Å; I111-F187 HydrophobicContact CG2-CD1 4.31Å
112M98.8Very high98.3Very high10 Ų1017.1 Ų17.15%0.0498%0.083CC..EExtended strand (participates in β ladder)trans-110.9100.2174.2-65.8178.270.900108.8L110 K139 L178 F187 Y188 T189 V198L110-M112 HydrophobicContact CD1-CG 4.01Å; L110-M112 HydrophobicContact CD2-CG 4.04Å; L110-M112 HydrophobicContact CD2-SD 3.92Å; L110-M112 HydrophobicContact CG-CG 3.88Å; L110-M112 HydrophobicContact CG-SD 4.42Å; M112-K139 WeakPolarHBondContact CA-O 3.39Å; M112-K139 HydrophobicContact CG-CB 4.32Å; M112-L178 HydrophobicContact CE-CD1 4.38Å; M112-L178 HydrophobicContact SD-CD1 4.33Å; M112-L178 HydrophobicContact SD-CD2 4.24Å; M112-L178 HydrophobicContact SD-CG 4.48Å; M112-F187 PolarHBondContact N-O 2.95Å; M112-Y188 HydrophobicContact CB-CD2 3.75Å; M112-Y188 HydrophobicContact CE-CD2 4.28Å; M112-Y188 HydrophobicContact SD-CD2 4.23Å; M112-T189 PolarHBondContact O-N 2.82Å; M112-T189 VanDerWaalsContact O-N 3.1Å; M112-V198 HydrophobicContact CE-CG2 4.37Å; M112-V198 HydrophobicContact SD-CG2 4.14Å
113S98.7Very high98.4Very high8 Ų814.5 Ų14.56%0.0567%0.071CC..  trans-92.5150.3-174.759.50000112.4L121 S122 K139 P140 S141S113-L121 WeakPolarHBondContact CB-O 3.25Å; S113-S122 VanDerWaalsContact CB-OG 3.26Å; S113-S122 WeakPolarHBondContact CB-OG 3.48Å; S113-S122 PolarHBondContact OG-OG 3.18Å; S113-K139 PolarHBondContact N-O 3.35Å; S113-P140 WeakPolarHBondContact OG-CA 3.43Å; S113-S141 PolarHBondContact O-N 3.3Å
114P98.4Very high98.4Very high10 Ų1014 Ų147%0.0657%0.069CC..  trans-87.7-178.9-177.539-30.4000110.2N116 L121 T189P114-N116 WeakPolarHBondContact CG-OD1 2.93Å; P114-L121 HydrophobicContact CG-CB 3.95Å; P114-L121 HydrophobicContact CG-CD1 3.34Å; P114-L121 HydrophobicContact CG-CG 4.26Å; P114-T189 HydrophobicContact CB-CG2 4.47Å; P114-T189 HydrophobicContact CG-CG2 3.73Å
115W98.5Very high98.5Very high25 Ų2511.3 Ų11.310%0.0956%0.056CC..SBendtrans-93-18.6-176.850-95.1000114.5L53 P118 S141 M143 T144 Q244 I288 H292 F340L53-W115 HydrophobicContact CD2-CE3 4.26Å; L53-W115 HydrophobicContact CD2-CZ3 4.35Å; W115-P118 WeakPolarHBondContact O-CD 3.42Å; W115-S141 WeakPolarHBondContact CB-OG 3.48Å; W115-M143 HydrophobicContact CB-CB 3.86Å; W115-M143 HydrophobicContact CG-CB 4.04Å; W115-M143 HydrophobicContact CG-SD 4.08Å; W115-T144 HydrophobicContact CB-CG2 3.84Å; W115-T144 VanDerWaalsContact O-CG2 3.27Å; W115-T144 WeakPolarHBondContact O-CG2 3.31Å; W115-Q244 HydrophobicContact CH2-CB 3.85Å; W115-Q244 HydrophobicContact CH2-CG 3.94Å; W115-Q244 HydrophobicContact CZ3-CB 3.84Å; W115-Q244 HydrophobicContact CZ3-CG 4.1Å; W115-I288 HydrophobicContact CD2-CB 4.28Å; W115-I288 HydrophobicContact CD2-CG1 4.01Å; W115-I288 HydrophobicContact CD2-CG2 4.21Å; W115-I288 HydrophobicContact CE3-CB 3.68Å; W115-I288 HydrophobicContact CE3-CD1 4.04Å; W115-I288 HydrophobicContact CE3-CG1 3.69Å; W115-I288 HydrophobicContact CE3-CG2 3.97Å; W115-I288 HydrophobicContact CG-CG1 4.42Å; W115-I288 HydrophobicContact CH2-CB 4.04Å; W115-I288 HydrophobicContact CH2-CG2 3.57Å; W115-I288 HydrophobicContact CZ2-CG2 3.86Å; W115-I288 HydrophobicContact CZ3-CB 3.57Å; W115-I288 HydrophobicContact CZ3-CG1 4.14Å; W115-I288 HydrophobicContact CZ3-CG2 3.66Å; W115-H292 AromaticContact CZ2-CE1 3.78Å; W115-F340 AromaticContact CH2-CD1 3.58Å; W115-F340 HydrophobicContact CH2-CD1 3.58Å; W115-F340 AromaticContact CH2-CE1 3.34Å; W115-F340 HydrophobicContact CH2-CE1 3.34Å; W115-F340 AromaticContact CZ2-CD1 3.73Å; W115-F340 HydrophobicContact CZ2-CD1 3.73Å; W115-F340 AromaticContact CZ2-CE1 3.45Å; W115-F340 HydrophobicContact CZ2-CE1 3.45Å; W115-F340 VanDerWaalsContact CZ2-CE1 3.45Å; W115-F340 HydrophobicContact CZ3-CE1 4.12Å
116N98.5Very high98.5Very high4 Ų49.4 Ų9.42%0.0214%0.044CC..SBendtrans-78.3-30-167.364.8-43.5000113.6R55 P114 N241 Q244 F340R55-N116 PolarHBondContact NH2-O 3.18Å; P114-N116 WeakPolarHBondContact CG-OD1 2.93Å; N116-N241 PolarHBondContact O-ND2 3.19Å; N116-N241 VanDerWaalsContact O-ND2 3.1Å; N116-Q244 VanDerWaalsContact CB-O 3.24Å; N116-Q244 WeakPolarHBondContact CB-O 3.5Å; N116-Q244 PolarHBondContact ND2-O 3.01Å; N116-F340 HydrophobicContact CB-CE1 4.03Å; N116-F340 HydrophobicContact CB-CZ 4.07Å; N116-F340 WeakPolarHBondContact ND2-CZ 3.43Å
117F98.4Very high98.6Very high18 Ų185.8 Ų5.88%0.0793%0.03CC..SBendtrans-13773.1168.7-68.1-90.9000108.7R55 T63 F119 I120 L121 N241 I245R55-F117 VanDerWaalsContact NH1-CD1 3.35Å; T63-F117 HydrophobicContact CG2-CE1 3.93Å; F117-F119 VanDerWaalsContact C-N 3.28Å; F117-F119 PolarHBondContact O-N 3.39Å; F117-I120 HydrophobicContact CB-CG2 3.51Å; F117-I120 HydrophobicContact CD1-CG2 4.38Å; F117-I120 HydrophobicContact CG-CG2 4.27Å; F117-L121 HydrophobicContact CB-CD1 3.83Å; F117-L121 HydrophobicContact CB-CG 3.99Å; F117-L121 HydrophobicContact CD2-CD1 4.48Å; F117-L121 VanDerWaalsContact O-CB 3.28Å; F117-L121 WeakPolarHBondContact O-CB 3.29Å; F117-L121 WeakPolarHBondContact O-CG 3.47Å; F117-L121 PolarHBondContact O-N 2.97Å; F117-N241 HydrophobicContact CE2-CB 4.43Å; F117-N241 HydrophobicContact CZ-CB 3.87Å; F117-I245 HydrophobicContact CE2-CB 4.19Å; F117-I245 HydrophobicContact CE2-CD1 4.03Å; F117-I245 HydrophobicContact CE2-CG1 3.72Å; F117-I245 HydrophobicContact CE2-CG2 3.89Å; F117-I245 HydrophobicContact CZ-CD1 3.71Å; F117-I245 HydrophobicContact CZ-CG1 3.9Å; F117-I245 HydrophobicContact CZ-CG2 4.45Å
118P98.6Very high98.6Very high1 Ų15.5 Ų5.51%0.0063%0.027CC..THydrogen-bonded Turntrans-66.7-26.4-160.425.7-33.1000113.2L49 W115 S122 T144 C147 I151L49-P118 HydrophobicContact CD2-CG 3.61Å; W115-P118 WeakPolarHBondContact O-CD 3.42Å; P118-S122 VanDerWaalsContact O-CB 3.26Å; P118-S122 WeakPolarHBondContact O-CB 3.39Å; P118-S122 PolarHBondContact O-OG 3.18Å; P118-T144 HydrophobicContact CG-CG2 4.38Å; P118-C147 HydrophobicContact CB-CB 3.89Å; P118-C147 HydrophobicContact CG-CB 3.68Å; P118-I151 HydrophobicContact CB-CD1 4.44Å; P118-I151 WeakPolarHBondContact O-CD1 3.33Å
119F98.7Very high98.6Very high0 Ų05.5 Ų5.50%03%0.027CC..THydrogen-bonded Turntrans-84.5-58.2177.7-68.6-93.1000110.8F38 I45 A48 L49 D64 F117 L121 S122 F123 C147 L150 I151F38-F119 HydrophobicContact CE1-CB 4.13Å; F38-F119 HydrophobicContact CE1-CD1 4.38Å; F38-F119 HydrophobicContact CZ-CB 4.33Å; I45-F119 HydrophobicContact CB-CE1 4.43Å; I45-F119 HydrophobicContact CB-CZ 4.32Å; I45-F119 HydrophobicContact CD1-CD1 4.28Å; I45-F119 HydrophobicContact CD1-CE1 4.32Å; I45-F119 HydrophobicContact CG1-CD1 4.11Å; I45-F119 HydrophobicContact CG1-CE1 3.72Å; I45-F119 HydrophobicContact CG1-CZ 4.03Å; I45-F119 HydrophobicContact CG2-CD1 4.16Å; I45-F119 HydrophobicContact CG2-CD2 3.74Å; I45-F119 HydrophobicContact CG2-CE1 4.2Å; I45-F119 HydrophobicContact CG2-CE2 3.78Å; I45-F119 HydrophobicContact CG2-CG 3.96Å; I45-F119 HydrophobicContact CG2-CZ 4.02Å; A48-F119 HydrophobicContact CB-CE2 4.49Å; A48-F119 HydrophobicContact CB-CZ 4.44Å; L49-F119 HydrophobicContact CD1-CD2 4.2Å; L49-F119 HydrophobicContact CD1-CE2 4.5Å; L49-F119 HydrophobicContact CD2-CD2 4.11Å; L49-F119 HydrophobicContact CD2-CE2 4.3Å; L49-F119 HydrophobicContact CG-CD2 4.11Å; L49-F119 HydrophobicContact CG-CE2 4.06Å; D64-F119 HydrophobicContact CB-CB 4Å; D64-F119 WeakPolarHBondContact OD1-CB 3.45Å; D64-F119 PolarHBondContact OD1-N 3.14Å; F117-F119 VanDerWaalsContact C-N 3.28Å; F117-F119 PolarHBondContact O-N 3.39Å; F119-L121 VanDerWaalsContact C-N 3.3Å; F119-L121 PolarHBondContact O-N 3.37Å; F119-S122 WeakPolarHBondContact O-CB 3.43Å; F119-S122 PolarHBondContact O-N 3.46Å; F119-F123 HydrophobicContact CB-CD2 4.45Å; F119-F123 HydrophobicContact CD1-CD2 4.45Å; F119-F123 HydrophobicContact CD1-CE2 4.07Å; F119-F123 VanDerWaalsContact O-CD2 3.31Å; F119-F123 WeakPolarHBondContact O-CD2 3.5Å; F119-F123 PolarHBondContact O-N 2.9Å; F119-C147 HydrophobicContact CE2-CB 3.84Å; F119-C147 HydrophobicContact CZ-CB 4.27Å; F119-L150 HydrophobicContact CE1-CD2 4.36Å; F119-L150 HydrophobicContact CZ-CB 4.41Å; F119-L150 HydrophobicContact CZ-CD2 3.93Å; F119-L150 HydrophobicContact CZ-CG 4.33Å; F119-I151 HydrophobicContact CD1-CD1 4.29Å; F119-I151 HydrophobicContact CD1-CG1 3.84Å; F119-I151 HydrophobicContact CE1-CD1 4.28Å; F119-I151 HydrophobicContact CE1-CG1 3.54Å; F119-I151 HydrophobicContact CZ-CG1 4.04Å
120I97.6Very high98.6Very high11 Ų115.5 Ų5.56%0.0563%0.027CC..Hα-helixtrans-60.8-39.8-176178.366.5000112T63 D64 T67 S68 F117 S122 F123 Q124T63-I120 WeakPolarHBondContact O-CG2 3.35Å; D64-I120 PolarHBondContact OD1-N 2.95Å; D64-I120 VanDerWaalsContact OD1-N 3.14Å; T67-I120 HydrophobicContact CG2-CD1 3.68Å; T67-I120 HydrophobicContact CG2-CG1 4.03Å; S68-I120 WeakPolarHBondContact OG-CA 3.17Å; S68-I120 WeakPolarHBondContact OG-CD1 3.34Å; F117-I120 HydrophobicContact CB-CG2 3.51Å; F117-I120 HydrophobicContact CD1-CG2 4.38Å; F117-I120 HydrophobicContact CG-CG2 4.27Å; I120-S122 PolarHBondContact O-N 2.62Å; I120-F123 PolarHBondContact O-N 2.97Å; I120-Q124 HydrophobicContact CD1-CB 3.79Å; I120-Q124 HydrophobicContact CD1-CG 4.27Å; I120-Q124 HydrophobicContact CG1-CB 4.34Å; I120-Q124 WeakPolarHBondContact O-CB 3.38Å; I120-Q124 PolarHBondContact O-N 2.74Å
121L98.5Very high98.6Very high21 Ų215.5 Ų5.511%0.113%0.027CC..Hα-helixtrans-76.9-7.7179.1-61174.3000113.6S113 P114 F117 F119 P125 T189S113-L121 WeakPolarHBondContact CB-O 3.25Å; P114-L121 HydrophobicContact CG-CB 3.95Å; P114-L121 HydrophobicContact CG-CD1 3.34Å; P114-L121 HydrophobicContact CG-CG 4.26Å; F117-L121 HydrophobicContact CB-CD1 3.83Å; F117-L121 HydrophobicContact CB-CG 3.99Å; F117-L121 HydrophobicContact CD2-CD1 4.48Å; F117-L121 VanDerWaalsContact O-CB 3.28Å; F117-L121 WeakPolarHBondContact O-CB 3.29Å; F117-L121 WeakPolarHBondContact O-CG 3.47Å; F117-L121 PolarHBondContact O-N 2.97Å; F119-L121 VanDerWaalsContact C-N 3.3Å; F119-L121 PolarHBondContact O-N 3.37Å; L121-P125 WeakPolarHBondContact O-CG 3.44Å; L121-T189 HydrophobicContact CD1-CG2 4.37Å
122S98.8Very high98.5Very high0 Ų05.5 Ų5.50%03%0.027CC..Hα-helixtrans-90.9-47.4166-63.50000111.7S113 P118 F119 I120 L126S113-S122 VanDerWaalsContact CB-OG 3.26Å; S113-S122 WeakPolarHBondContact CB-OG 3.48Å; S113-S122 PolarHBondContact OG-OG 3.18Å; P118-S122 VanDerWaalsContact O-CB 3.26Å; P118-S122 WeakPolarHBondContact O-CB 3.39Å; P118-S122 PolarHBondContact O-OG 3.18Å; F119-S122 WeakPolarHBondContact O-CB 3.43Å; F119-S122 PolarHBondContact O-N 3.46Å; I120-S122 PolarHBondContact O-N 2.62Å; S122-L126 VanDerWaalsContact O-CB 3.25Å; S122-L126 WeakPolarHBondContact O-CB 3.37Å; S122-L126 PolarHBondContact O-N 2.98Å
123F98.7Very high98.5Very high0 Ų05.3 Ų5.30%03%0.028CC..Hα-helixtrans-85.3-32.2-168.2-79-86.1000113.5I34 L37 F38 F119 I120 L126 I127 I151 I155I34-F123 HydrophobicContact CG1-CD1 4.49Å; I34-F123 HydrophobicContact CG2-CD1 3.74Å; I34-F123 HydrophobicContact CG2-CE1 4.27Å; L37-F123 HydrophobicContact CD1-CE1 3.82Å; L37-F123 HydrophobicContact CD1-CZ 3.81Å; L37-F123 HydrophobicContact CD2-CE1 4.17Å; L37-F123 HydrophobicContact CD2-CZ 3.89Å; F38-F123 HydrophobicContact CE2-CB 3.81Å; F38-F123 AromaticContact CE2-CD1 3.74Å; F38-F123 HydrophobicContact CE2-CD1 3.74Å; F38-F123 AromaticContact CE2-CD2 3.93Å; F38-F123 HydrophobicContact CE2-CD2 3.93Å; F38-F123 HydrophobicContact CE2-CE1 4.28Å; F38-F123 HydrophobicContact CE2-CE2 4.45Å; F38-F123 AromaticContact CE2-CG 3.54Å; F38-F123 HydrophobicContact CE2-CG 3.54Å; F38-F123 HydrophobicContact CZ-CB 3.82Å; F38-F123 HydrophobicContact CZ-CD1 4.2Å; F38-F123 AromaticContact CZ-CD2 3.51Å; F38-F123 HydrophobicContact CZ-CD2 3.51Å; F38-F123 HydrophobicContact CZ-CE2 4.1Å; F38-F123 AromaticContact CZ-CG 3.57Å; F38-F123 HydrophobicContact CZ-CG 3.57Å; F119-F123 HydrophobicContact CB-CD2 4.45Å; F119-F123 HydrophobicContact CD1-CD2 4.45Å; F119-F123 HydrophobicContact CD1-CE2 4.07Å; F119-F123 VanDerWaalsContact O-CD2 3.31Å; F119-F123 WeakPolarHBondContact O-CD2 3.5Å; F119-F123 PolarHBondContact O-N 2.9Å; I120-F123 PolarHBondContact O-N 2.97Å; F123-L126 HydrophobicContact CD1-CD2 3.84Å; F123-L126 HydrophobicContact CE1-CD2 3.99Å; F123-L126 PolarHBondContact O-N 3.09Å; F123-I127 WeakPolarHBondContact O-CB 3.45Å; F123-I127 WeakPolarHBondContact O-CD1 3.44Å; F123-I127 WeakPolarHBondContact O-CG1 3.08Å; F123-I127 PolarHBondContact O-N 3.34Å; F123-I151 HydrophobicContact CE2-CG1 4.25Å; F123-I151 HydrophobicContact CE2-CG2 4.43Å; F123-I155 HydrophobicContact CE1-CD1 4.37Å; F123-I155 HydrophobicContact CE1-CG1 4.19Å; F123-I155 HydrophobicContact CZ-CD1 4.13Å; F123-I155 HydrophobicContact CZ-CG1 3.96Å
124Q97.6Very high98.5Very high8 Ų85 Ų54%0.0373%0.025CC..Hα-helixtrans-61.1-50.9177.2-164.5173.147.800112.8E71 I120 L126 G128 Y417 R418E71-Q124 HydrophobicContact CB-CG 4.44Å; E71-Q124 HydrophobicContact CG-CG 3.78Å; E71-Q124 PolarHBondContact OE2-NE2 3.01Å; I120-Q124 HydrophobicContact CD1-CB 3.79Å; I120-Q124 HydrophobicContact CD1-CG 4.27Å; I120-Q124 HydrophobicContact CG1-CB 4.34Å; I120-Q124 WeakPolarHBondContact O-CB 3.38Å; I120-Q124 PolarHBondContact O-N 2.74Å; Q124-L126 VanDerWaalsContact C-N 3.35Å; Q124-G128 PolarHBondContact O-N 3.28Å; Q124-Y417 HydrophobicContact CB-CE2 3.99Å; Q124-Y417 HydrophobicContact CG-CD2 4.19Å; Q124-Y417 HydrophobicContact CG-CE2 3.6Å; Q124-Y417 PolarHBondContact OE1-OH 2.94Å; Q124-R418 HydrophobicContact CG-CG 4.44Å
125P98.6Very high98.6Very high0 Ų04.6 Ų4.60%02%0.023CC..Hα-helixtrans-67.5-32.9172.627-35000112.6I111 L121 G128 A129 F187 F426I111-P125 HydrophobicContact CD1-CB 3.86Å; I111-P125 HydrophobicContact CD1-CG 4.13Å; I111-P125 HydrophobicContact CG1-CB 4.47Å; I111-P125 HydrophobicContact CG2-CB 4.41Å; I111-P125 HydrophobicContact CG2-CG 3.85Å; L121-P125 WeakPolarHBondContact O-CG 3.44Å; P125-G128 PolarHBondContact O-N 3.13Å; P125-A129 WeakPolarHBondContact O-CB 3.34Å; P125-A129 PolarHBondContact O-N 3.06Å; P125-F187 HydrophobicContact CB-CD1 3.84Å; P125-F187 HydrophobicContact CB-CD2 4.15Å; P125-F187 HydrophobicContact CB-CE1 3.7Å; P125-F187 HydrophobicContact CB-CE2 4.03Å; P125-F187 HydrophobicContact CB-CG 4.08Å; P125-F187 HydrophobicContact CB-CZ 3.81Å; P125-F187 HydrophobicContact CG-CD1 4.08Å; P125-F187 HydrophobicContact CG-CE1 3.78Å; P125-F187 HydrophobicContact CG-CZ 4.25Å; P125-F426 HydrophobicContact CB-CE2 4.3Å; P125-F426 HydrophobicContact CB-CZ 3.87Å; P125-F426 WeakPolarHBondContact O-CE2 3.3Å
126L98.9Very high98.6Very high0 Ų03.4 Ų3.40%02%0.018CC..Hα-helixtrans-62.3-46176.717462.1000112.4I34 I111 S122 F123 Q124 G128 A129 I130 V136 I155 L159 C164I34-L126 HydrophobicContact CD1-CD2 4.11Å; I34-L126 HydrophobicContact CD1-CG 4.13Å; I111-L126 HydrophobicContact CD1-CB 4.07Å; S122-L126 VanDerWaalsContact O-CB 3.25Å; S122-L126 WeakPolarHBondContact O-CB 3.37Å; S122-L126 PolarHBondContact O-N 2.98Å; F123-L126 HydrophobicContact CD1-CD2 3.84Å; F123-L126 HydrophobicContact CE1-CD2 3.99Å; F123-L126 PolarHBondContact O-N 3.09Å; Q124-L126 VanDerWaalsContact C-N 3.35Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 3.08Å; L126-A129 PolarHBondContact O-N 2.75Å; L126-I130 HydrophobicContact CD1-CD1 3.67Å; L126-I130 HydrophobicContact CD1-CG1 4Å; L126-I130 HydrophobicContact CG-CD1 3.92Å; L126-I130 WeakPolarHBondContact O-CB 3.34Å; L126-I130 WeakPolarHBondContact O-CG1 3.44Å; L126-I130 PolarHBondContact O-N 3.01Å; L126-V136 HydrophobicContact CD1-CB 3.75Å; L126-V136 HydrophobicContact CD1-CG1 3.84Å; L126-V136 HydrophobicContact CD1-CG2 3.75Å; L126-I155 HydrophobicContact CD2-CD1 4.11Å; L126-L159 HydrophobicContact CD2-CD1 4.2Å; L126-C164 HydrophobicContact CD1-CB 4.2Å
127I98.8Very high98.6Very high0 Ų03.2 Ų3.20%02%0.017CC..Hα-helixtrans-57.4-45.2175.5-70.8159.4000109.5I31 I34 E71 A72 M75 F123 A131I31-I127 HydrophobicContact CG2-CG2 4.35Å; I34-I127 HydrophobicContact CD1-CG1 4Å; I34-I127 HydrophobicContact CG2-CD1 4.15Å; I34-I127 HydrophobicContact CG2-CG1 4.09Å; E71-I127 HydrophobicContact CB-CD1 4.12Å; E71-I127 HydrophobicContact CG-CD1 4.16Å; E71-I127 HydrophobicContact CG-CG2 4.29Å; A72-I127 HydrophobicContact CB-CD1 3.95Å; M75-I127 HydrophobicContact CB-CG2 3.76Å; M75-I127 HydrophobicContact CE-CG2 4.27Å; M75-I127 HydrophobicContact CG-CG2 3.88Å; F123-I127 WeakPolarHBondContact O-CB 3.45Å; F123-I127 WeakPolarHBondContact O-CD1 3.44Å; F123-I127 WeakPolarHBondContact O-CG1 3.08Å; F123-I127 PolarHBondContact O-N 3.34Å; I127-A131 WeakPolarHBondContact O-CB 3.35Å; I127-A131 PolarHBondContact O-N 2.97Å
128G98.4Very high98.6Very high0 Ų02.3 Ų2.30%01%0.014CC..Hα-helixtrans-56.5-51.6174.100000113.9Q124 P125 L126 A131 A132 F426Q124-G128 PolarHBondContact O-N 3.28Å; P125-G128 PolarHBondContact O-N 3.13Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 3.08Å; G128-A131 PolarHBondContact O-N 2.88Å; G128-A132 PolarHBondContact O-N 3.2Å; G128-F426 VanDerWaalsContact C-CD2 3.45Å
129A98.9Very high98.6Very high0 Ų02.9 Ų2.90%02%0.016CC..Hα-helixtrans-63.6-45-17800000112.2P125 L126 A132 G133 N134 V136 F426P125-A129 WeakPolarHBondContact O-CB 3.34Å; P125-A129 PolarHBondContact O-N 3.06Å; L126-A129 PolarHBondContact O-N 2.75Å; A129-A132 PolarHBondContact O-N 2.82Å; A129-G133 PolarHBondContact O-N 3.34Å; A129-G133 VanDerWaalsContact O-N 3.12Å; A129-N134 HydrophobicContact CB-CB 4.34Å; A129-N134 WeakPolarHBondContact O-CB 3.44Å; A129-N134 PolarHBondContact O-N 3.1Å; A129-N134 PolarHBondContact O-ND2 3.13Å; A129-V136 HydrophobicContact CB-CG2 3.58Å; A129-F426 HydrophobicContact CB-CD1 4Å; A129-F426 HydrophobicContact CB-CD2 4.32Å; A129-F426 HydrophobicContact CB-CE1 4.23Å; A129-F426 HydrophobicContact CB-CG 4.05Å
130I98.9Very high98.6Very high0 Ų02.9 Ų2.90%02%0.016CC..Hα-helixtrans-63.1-43.5175.6-71173.5000110.6L21 A30 I31 I34 L126 A132 G133 L159 I163L21-I130 HydrophobicContact CD1-CG1 4.47Å; L21-I130 HydrophobicContact CD1-CG2 4.22Å; L21-I130 HydrophobicContact CD2-CG2 4.17Å; A30-I130 HydrophobicContact CB-CG2 3.65Å; I31-I130 HydrophobicContact CG1-CG2 4.01Å; I34-I130 HydrophobicContact CD1-CD1 3.75Å; L126-I130 HydrophobicContact CD1-CD1 3.67Å; L126-I130 HydrophobicContact CD1-CG1 4Å; L126-I130 HydrophobicContact CG-CD1 3.92Å; L126-I130 WeakPolarHBondContact O-CB 3.34Å; L126-I130 WeakPolarHBondContact O-CG1 3.44Å; L126-I130 PolarHBondContact O-N 3.01Å; I130-A132 VanDerWaalsContact C-N 3.28Å; I130-A132 PolarHBondContact O-N 3.15Å; I130-G133 WeakPolarHBondContact O-CA 3.34Å; I130-G133 PolarHBondContact O-N 2.92Å; I130-L159 HydrophobicContact CD1-CD1 4.27Å; I130-I163 HydrophobicContact CD1-CG2 3.79Å; I130-I163 HydrophobicContact CG1-CG2 3.95Å
131A98.7Very high98.7Very high0 Ų02.8 Ų2.80%02%0.016CC..Hα-helixtrans-63.3-35.7178.600000112.1R27 I31 M75 I79 L83 I127 G128 G133 I423R27-A131 WeakPolarHBondContact CD-O 3.43Å; R27-A131 PolarHBondContact NH1-O 3.04Å; I31-A131 HydrophobicContact CD1-CB 3.85Å; M75-A131 HydrophobicContact CE-CB 3.92Å; M75-A131 HydrophobicContact CG-CB 3.56Å; M75-A131 HydrophobicContact SD-CB 3.39Å; M75-A131 WeakPolarHBondContact SD-CB 3.37Å; I79-A131 HydrophobicContact CD1-CB 3.67Å; I79-A131 HydrophobicContact CG1-CB 4.37Å; L83-A131 WeakPolarHBondContact CD1-O 3.32Å; I127-A131 WeakPolarHBondContact O-CB 3.35Å; I127-A131 PolarHBondContact O-N 2.97Å; G128-A131 PolarHBondContact O-N 2.88Å; A131-G133 PolarHBondContact O-N 3.2Å; A131-I423 HydrophobicContact CB-CD1 3.46Å; A131-I423 VanDerWaalsContact CB-CD1 3.46Å
132A98.5Very high98.6Very high0 Ų05.3 Ų5.30%03%0.027CC..Hα-helixtrans-73.9-12.4171.900000113.7R27 P105 G128 A129 I130 N134 F426 S427R27-A132 PolarHBondContact NH1-O 3.13Å; P105-A132 WeakPolarHBondContact CB-O 3.43Å; G128-A132 PolarHBondContact O-N 3.2Å; A129-A132 PolarHBondContact O-N 2.82Å; I130-A132 VanDerWaalsContact C-N 3.28Å; I130-A132 PolarHBondContact O-N 3.15Å; A132-N134 WeakPolarHBondContact CB-ND2 3.36Å; A132-F426 HydrophobicContact CB-CB 3.55Å; A132-F426 VanDerWaalsContact CB-O 3.27Å; A132-F426 WeakPolarHBondContact CB-O 3.34Å; A132-S427 WeakPolarHBondContact CB-OG 3.25Å
133G98.5Very high98.6Very high6 Ų68.1 Ų8.16%0.0624%0.041CC..THydrogen-bonded Turntrans98.620.5174.900000114.7P105 A129 I130 A131P105-G133 WeakPolarHBondContact CB-O 3.43Å; A129-G133 PolarHBondContact O-N 3.34Å; A129-G133 VanDerWaalsContact O-N 3.12Å; I130-G133 WeakPolarHBondContact O-CA 3.34Å; I130-G133 PolarHBondContact O-N 2.92Å; A131-G133 PolarHBondContact O-N 3.2Å
134N98.9Very high98.6Very high0 Ų08.1 Ų8.10%04%0.041CC..  trans-93.9146.7-177.2-57.4-84.7000111.8L21 P105 Y106 G107 V109 A129 A132 F426L21-N134 VanDerWaalsContact CD1-O 3.23Å; L21-N134 WeakPolarHBondContact CD1-O 3.35Å; P105-N134 WeakPolarHBondContact CB-OD1 3.49Å; Y106-N134 WeakPolarHBondContact CA-OD1 3.33Å; Y106-N134 PolarHBondContact N-OD1 3.3Å; G107-N134 PolarHBondContact N-OD1 3.42Å; G107-N134 WeakPolarHBondContact O-CA 3.37Å; G107-N134 WeakPolarHBondContact O-CB 3.39Å; V109-N134 HydrophobicContact CB-CB 4.46Å; V109-N134 HydrophobicContact CG2-CB 3.61Å; A129-N134 HydrophobicContact CB-CB 4.34Å; A129-N134 WeakPolarHBondContact O-CB 3.44Å; A129-N134 PolarHBondContact O-N 3.1Å; A129-N134 PolarHBondContact O-ND2 3.13Å; A132-N134 WeakPolarHBondContact CB-ND2 3.36Å; N134-F426 PolarHBondContact ND2-O 3.28Å
135S98.9Very high98.6Very high2 Ų211.5 Ų11.51%0.0146%0.064CC..EExtended strand (participates in β ladder)trans-81.8149.7161.5-64.30000109.7L12 G107 V108 V109 H162 I163L12-S135 WeakPolarHBondContact O-CB 3.45Å; L12-S135 PolarHBondContact O-OG 3.19Å; G107-S135 PolarHBondContact O-N 2.91Å; V108-S135 CarbonylContact C-O 3.54Å; V108-S135 WeakPolarHBondContact CA-O 3.26Å; V109-S135 PolarHBondContact N-O 3.25Å; S135-H162 WeakPolarHBondContact CB-O 3.29Å; S135-H162 PolarHBondContact OG-O 3.26Å; S135-I163 CarbonylContact C-O 3.41Å; S135-I163 VanDerWaalsContact CA-O 3.31Å; S135-I163 WeakPolarHBondContact CA-O 3.11Å
136V98.9Very high98.7Very high0 Ų012.9 Ų12.90%08%0.076CC..EExtended strand (participates in β ladder)trans-130.4128.7-169.4-178.90000112.2L12 V109 I111 L126 A129 I163 C164 Q165L12-V136 WeakPolarHBondContact CD2-O 3.39Å; V109-V136 HydrophobicContact CB-CG2 4.4Å; V109-V136 CarbonylContact O-C 3.45Å; V109-V136 WeakPolarHBondContact O-CA 3.43Å; I111-V136 HydrophobicContact CB-CG1 4.33Å; I111-V136 HydrophobicContact CD1-CG1 3.68Å; I111-V136 HydrophobicContact CG1-CG1 3.87Å; L126-V136 HydrophobicContact CD1-CB 3.75Å; L126-V136 HydrophobicContact CD1-CG1 3.84Å; L126-V136 HydrophobicContact CD1-CG2 3.75Å; A129-V136 HydrophobicContact CB-CG2 3.58Å; V136-I163 PolarHBondContact N-O 3.28Å; V136-C164 VanDerWaalsContact O-CA 3.29Å; V136-C164 WeakPolarHBondContact O-CA 3.37Å; V136-Q165 PolarHBondContact O-N 2.91Å; V136-Q165 VanDerWaalsContact O-N 3.13Å
137L98.9Very high98.7Very high0 Ų012.9 Ų12.90%08%0.076CC..EExtended strand (participates in β ladder)trans-93.1117.9157.1177.763000108.7I8 T9 L12 V109 L110 I111 I167 I177 F183I8-L137 HydrophobicContact CG2-CD1 3.88Å; T9-L137 HydrophobicContact CG2-CD2 4.25Å; L12-L137 HydrophobicContact CD1-CB 3.74Å; L12-L137 HydrophobicContact CD1-CD1 4.48Å; V109-L137 PolarHBondContact O-N 2.9Å; L110-L137 WeakPolarHBondContact CA-O 3.33Å; L110-L137 HydrophobicContact CD1-CB 4.36Å; L110-L137 HydrophobicContact CD1-CD2 4.04Å; L110-L137 HydrophobicContact CD1-CG 4.12Å; I111-L137 PolarHBondContact N-O 2.91Å; L137-I167 HydrophobicContact CD1-CB 4.2Å; L137-I167 HydrophobicContact CD1-CD1 3.56Å; L137-I167 HydrophobicContact CD1-CG1 3.71Å; L137-I167 HydrophobicContact CD2-CD1 4.02Å; L137-I167 HydrophobicContact CG-CD1 4.41Å; L137-I177 HydrophobicContact CD2-CD1 4.3Å; L137-I177 HydrophobicContact CD2-CG2 4.12Å; L137-F183 HydrophobicContact CB-CE1 3.99Å; L137-F183 HydrophobicContact CD2-CE1 3.94Å; L137-F183 HydrophobicContact CD2-CZ 3.63Å
138L98.9Very high98.6Very high0 Ų013.1 Ų13.10%08%0.077CC..EExtended strand (participates in β ladder)trans-98.6129.3174179.366.5000110.3I111 I151 I155 Q165 V166 I167I111-L138 HydrophobicContact CB-CD1 3.83Å; I111-L138 HydrophobicContact CG2-CD1 3.55Å; I111-L138 CarbonylContact O-C 3.52Å; L138-I151 HydrophobicContact CD2-CG2 3.61Å; L138-I155 HydrophobicContact CD2-CD1 3.43Å; L138-I155 VanDerWaalsContact CD2-CD1 3.43Å; L138-Q165 PolarHBondContact N-O 3.5Å; L138-V166 HydrophobicContact CB-CG2 4.37Å; L138-V166 HydrophobicContact CD2-CG2 4.32Å; L138-V166 VanDerWaalsContact O-CA 3.31Å; L138-V166 WeakPolarHBondContact O-CA 3.49Å; L138-I167 PolarHBondContact O-N 2.92Å
139K98.7Very high98.7Very high12 Ų1218.8 Ų18.85%0.05210%0.104CC..EExtended strand (participates in β ladder)trans-11896.9171.8-168.6-90.2154.8169.50108.9L110 I111 M112 S113 E142 I167 G169 S174 I177L110-K139 HydrophobicContact CD1-CB 4.49Å; I111-K139 PolarHBondContact O-N 2.85Å; M112-K139 WeakPolarHBondContact CA-O 3.39Å; M112-K139 HydrophobicContact CG-CB 4.32Å; S113-K139 PolarHBondContact N-O 3.35Å; K139-E142 IonicContact NZ-OE2 3.97Å; K139-E142 PolarHBondContact NZ-OE2 2.75Å; K139-I167 WeakPolarHBondContact CG-O 3.34Å; K139-G169 WeakPolarHBondContact CE-O 3.42Å; K139-G169 PolarHBondContact NZ-O 3.43Å; K139-S174 WeakPolarHBondContact CD-OG 3.3Å; K139-S174 WeakPolarHBondContact CE-OG 3.42Å; K139-S174 PolarHBondContact NZ-OG 3.24Å; K139-I177 HydrophobicContact CB-CD1 4.49Å; K139-I177 HydrophobicContact CG-CD1 4.16Å
140P98.7Very high98.7Very high1 Ų119.8 Ų19.81%0.00611%0.109CC..  trans-75.7160.9174.333-35000111.4S113 I151 V166S113-P140 WeakPolarHBondContact OG-CA 3.43Å; P140-I151 HydrophobicContact CB-CD1 4.42Å; P140-V166 HydrophobicContact CG-CG1 3.86Å
141S98.5Very high98.7Very high9 Ų919.8 Ų19.86%0.06311%0.109CC..  trans-72.6128.6-178.1-178.60000112.5S113 W115 M143 T144 S148S113-S141 PolarHBondContact O-N 3.3Å; W115-S141 WeakPolarHBondContact CB-OG 3.48Å; S141-M143 PolarHBondContact O-N 2.78Å; S141-M143 PolarHBondContact OG-N 3.03Å; S141-T144 PolarHBondContact O-N 3.33Å; S141-T144 PolarHBondContact O-OG1 2.76Å; S141-S148 PolarHBondContact O-OG 3.24Å
142E97.9Very high98.7Very high73 Ų7321.7 Ų21.734%0.34112%0.122SC..THydrogen-bonded Turntrans-63.6-12.817571.5-76.4-177.600114.2K139 T144 P171K139-E142 IonicContact NZ-OE2 3.97Å; K139-E142 PolarHBondContact NZ-OE2 2.75Å; E142-T144 VanDerWaalsContact C-N 3.27Å; E142-T144 PolarHBondContact O-N 3.17Å; E142-P171 WeakPolarHBondContact OE1-CD 3.24Å
143M98.2Very high98.7Very high59 Ų5926.5 Ų26.529%0.29115%0.145SC..THydrogen-bonded Turntrans-74.9-17.9179.8-59.1-171.9179.700113.1W115 S141 P145 I288W115-M143 HydrophobicContact CB-CB 3.86Å; W115-M143 HydrophobicContact CG-CB 4.04Å; W115-M143 HydrophobicContact CG-SD 4.08Å; S141-M143 PolarHBondContact O-N 2.78Å; S141-M143 PolarHBondContact OG-N 3.03Å; M143-P145 VanDerWaalsContact C-CD 3.43Å; M143-P145 VanDerWaalsContact O-CD 3.3Å; M143-P145 WeakPolarHBondContact O-CD 3.31Å; M143-I288 HydrophobicContact CB-CG1 4.02Å; M143-I288 WeakPolarHBondContact O-CD1 3.4Å
144T98.7Very high98.7Very high0 Ų026.6 Ų26.60%014%0.144CC..  trans-115.974.1174.143.30000109.5D52 L53 W115 P118 S141 E142 A146 C147 S148 I288D52-T144 HydrophobicContact CB-CG2 3.81Å; D52-T144 WeakPolarHBondContact OD2-CA 3.45Å; D52-T144 VanDerWaalsContact OD2-CB 3.23Å; D52-T144 WeakPolarHBondContact OD2-CB 3.34Å; L53-T144 HydrophobicContact CG-CG2 4.47Å; W115-T144 HydrophobicContact CB-CG2 3.84Å; W115-T144 VanDerWaalsContact O-CG2 3.27Å; W115-T144 WeakPolarHBondContact O-CG2 3.31Å; P118-T144 HydrophobicContact CG-CG2 4.38Å; S141-T144 PolarHBondContact O-N 3.33Å; S141-T144 PolarHBondContact O-OG1 2.76Å; E142-T144 VanDerWaalsContact C-N 3.27Å; E142-T144 PolarHBondContact O-N 3.17Å; T144-A146 PolarHBondContact O-N 3.05Å; T144-C147 PolarHBondContact O-N 3.27Å; T144-S148 VanDerWaalsContact O-CB 3.29Å; T144-S148 WeakPolarHBondContact O-CB 3.39Å; T144-S148 PolarHBondContact O-N 3Å; T144-S148 PolarHBondContact O-OG 2.94Å; T144-I288 HydrophobicContact CG2-CD1 3.72Å
145P98.5Very high98.7Very high79 Ų7926.6 Ų26.651%0.51314%0.144SC..Hα-helixtrans-62.4-40.1-172.924.3-34.9000113.3D52 M143 S148 Q149D52-P145 VanDerWaalsContact OD1-CD 3.25Å; D52-P145 WeakPolarHBondContact OD1-CD 3.46Å; M143-P145 VanDerWaalsContact C-CD 3.43Å; M143-P145 VanDerWaalsContact O-CD 3.3Å; M143-P145 WeakPolarHBondContact O-CD 3.31Å; P145-S148 PolarHBondContact O-N 3.33Å; P145-Q149 VanDerWaalsContact O-CB 3.29Å; P145-Q149 WeakPolarHBondContact O-CB 2.81Å; P145-Q149 PolarHBondContact O-N 3.26Å
146A98.8Very high98.7Very high30 Ų3030.3 Ų30.325%0.24818%0.175CC..Hα-helixtrans-66.1-43.417900000110.9A48 A51 D52 T144 L150A48-A146 HydrophobicContact CB-CB 4.31Å; A51-A146 HydrophobicContact CB-CB 4.08Å; D52-A146 WeakPolarHBondContact OD1-CB 3.49Å; D52-A146 PolarHBondContact OD1-N 2.76Å; D52-A146 PolarHBondContact OD2-N 3.1Å; D52-A146 VanDerWaalsContact OD2-N 3.09Å; T144-A146 PolarHBondContact O-N 3.05Å; A146-L150 WeakPolarHBondContact O-CB 3.24Å; A146-L150 PolarHBondContact O-N 3.09Å
147C98.9Very high98.7Very high0 Ų036.9 Ų36.90%020%0.203CC..Hα-helixtrans-64.9-46.5176.1-58.40000111.5A48 D52 P118 F119 T144 Q149 L150 I151A48-C147 VanDerWaalsContact C-SG 3.56Å; A48-C147 PolarHBondContact O-SG 2.82Å; D52-C147 PolarHBondContact OD2-N 2.87Å; D52-C147 PolarHBondContact OD2-SG 3.18Å; P118-C147 HydrophobicContact CB-CB 3.89Å; P118-C147 HydrophobicContact CG-CB 3.68Å; F119-C147 HydrophobicContact CE2-CB 3.84Å; F119-C147 HydrophobicContact CZ-CB 4.27Å; T144-C147 PolarHBondContact O-N 3.27Å; C147-Q149 VanDerWaalsContact C-N 3.34Å; C147-Q149 PolarHBondContact O-N 2.94Å; C147-L150 PolarHBondContact O-N 3.21Å; C147-I151 WeakPolarHBondContact O-CB 3.38Å; C147-I151 WeakPolarHBondContact O-CG1 2.95Å; C147-I151 PolarHBondContact O-N 3.15Å
148S98.7Very high98.7Very high5 Ų537.9 Ų37.94%0.03521%0.207CC..Hα-helixtrans-63.1-40.8-178.7-69.60000112.4S141 T144 P145 S152S141-S148 PolarHBondContact O-OG 3.24Å; T144-S148 VanDerWaalsContact O-CB 3.29Å; T144-S148 WeakPolarHBondContact O-CB 3.39Å; T144-S148 PolarHBondContact O-N 3Å; T144-S148 PolarHBondContact O-OG 2.94Å; P145-S148 PolarHBondContact O-N 3.33Å; S148-S152 PolarHBondContact O-N 3.18Å
149Q98.7Very high98.7Very high119 Ų11938.5 Ų38.556%0.55621%0.21SC*.Hα-helixtrans-61.8-50.2173.8179175.1-3.400110.8P145 C147 I151 S152 E153P145-Q149 VanDerWaalsContact O-CB 3.29Å; P145-Q149 WeakPolarHBondContact O-CB 2.81Å; P145-Q149 PolarHBondContact O-N 3.26Å; C147-Q149 VanDerWaalsContact C-N 3.34Å; C147-Q149 PolarHBondContact O-N 2.94Å; Q149-I151 VanDerWaalsContact C-N 3.34Å; Q149-I151 PolarHBondContact O-N 3.46Å; Q149-S152 WeakPolarHBondContact O-CB 3.31Å; Q149-S152 PolarHBondContact O-N 3.39Å; Q149-S152 VanDerWaalsContact O-N 3.13Å; Q149-E153 VanDerWaalsContact CG-OE1 3.27Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.19Å; Q149-E153 PolarHBondContact NE2-OE1 3.46Å; Q149-E153 WeakPolarHBondContact O-CG 3.41Å; Q149-E153 PolarHBondContact O-N 2.86Å
150L98.9Very high98.6Very high20 Ų2041.8 Ų41.811%0.10523%0.228CC..Hα-helixtrans-61.7-42179.8-17760.4000111.8S44 I45 A48 F119 A146 C147 S152 E153 L154S44-L150 VanDerWaalsContact C-CD2 3.41Å; S44-L150 VanDerWaalsContact O-CD2 3.26Å; S44-L150 WeakPolarHBondContact O-CD2 3.4Å; I45-L150 HydrophobicContact CG1-CD2 4.17Å; A48-L150 HydrophobicContact CB-CD2 3.9Å; F119-L150 HydrophobicContact CE1-CD2 4.36Å; F119-L150 HydrophobicContact CZ-CB 4.41Å; F119-L150 HydrophobicContact CZ-CD2 3.93Å; F119-L150 HydrophobicContact CZ-CG 4.33Å; A146-L150 WeakPolarHBondContact O-CB 3.24Å; A146-L150 PolarHBondContact O-N 3.09Å; C147-L150 PolarHBondContact O-N 3.21Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 2.93Å; L150-E153 PolarHBondContact O-N 3.47Å; L150-L154 HydrophobicContact CD1-CD1 3.84Å; L150-L154 HydrophobicContact CD1-CD2 4.18Å; L150-L154 HydrophobicContact CD1-CG 3.75Å; L150-L154 HydrophobicContact CD2-CD1 4.33Å; L150-L154 HydrophobicContact CG-CD1 3.74Å; L150-L154 HydrophobicContact CG-CG 4.06Å; L150-L154 WeakPolarHBondContact O-CB 3.41Å; L150-L154 WeakPolarHBondContact O-CG 3.26Å; L150-L154 PolarHBondContact O-N 2.84Å
151I98.9Very high98.6Very high0 Ų047.5 Ų47.50%025%0.253CS..Hα-helixtrans-57.1-45.4174.6-71.5166.9000110.7P118 F119 F123 L138 P140 C147 Q149 I155 V166P118-I151 HydrophobicContact CB-CD1 4.44Å; P118-I151 WeakPolarHBondContact O-CD1 3.33Å; F119-I151 HydrophobicContact CD1-CD1 4.29Å; F119-I151 HydrophobicContact CD1-CG1 3.84Å; F119-I151 HydrophobicContact CE1-CD1 4.28Å; F119-I151 HydrophobicContact CE1-CG1 3.54Å; F119-I151 HydrophobicContact CZ-CG1 4.04Å; F123-I151 HydrophobicContact CE2-CG1 4.25Å; F123-I151 HydrophobicContact CE2-CG2 4.43Å; L138-I151 HydrophobicContact CD2-CG2 3.61Å; P140-I151 HydrophobicContact CB-CD1 4.42Å; C147-I151 WeakPolarHBondContact O-CB 3.38Å; C147-I151 WeakPolarHBondContact O-CG1 2.95Å; C147-I151 PolarHBondContact O-N 3.15Å; Q149-I151 VanDerWaalsContact C-N 3.34Å; Q149-I151 PolarHBondContact O-N 3.46Å; I151-I155 HydrophobicContact CG2-CD1 3.92Å; I151-I155 WeakPolarHBondContact O-CB 3.24Å; I151-I155 WeakPolarHBondContact O-CG1 3.18Å; I151-I155 PolarHBondContact O-N 3.15Å; I151-V166 HydrophobicContact CG2-CG2 4.49Å
152S98.8Very high98.6Very high40 Ų4048.6 Ų48.628%0.2826%0.257SS..Hα-helixtrans-61.7-46.5178.2-171.50000112.3S148 Q149 L150 A156S148-S152 PolarHBondContact O-N 3.18Å; Q149-S152 WeakPolarHBondContact O-CB 3.31Å; Q149-S152 PolarHBondContact O-N 3.39Å; Q149-S152 VanDerWaalsContact O-N 3.13Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 2.93Å; S152-A156 WeakPolarHBondContact O-CB 3.46Å; S152-A156 PolarHBondContact O-N 3.12Å
153E98.8Very high98.7Very high102 Ų10246 Ų4648%0.47725%0.245SC..Hα-helixtrans-64-45.5179.3-70.5172.1-171.900111.7Q149 L150 A156 K157Q149-E153 VanDerWaalsContact CG-OE1 3.27Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.19Å; Q149-E153 PolarHBondContact NE2-OE1 3.46Å; Q149-E153 WeakPolarHBondContact O-CG 3.41Å; Q149-E153 PolarHBondContact O-N 2.86Å; L150-E153 PolarHBondContact O-N 3.47Å; E153-A156 PolarHBondContact O-N 2.87Å; E153-K157 WeakPolarHBondContact O-CB 3.47Å; E153-K157 PolarHBondContact O-N 3.48Å; E153-K157 VanDerWaalsContact O-N 3.11Å
154L98.8Very high98.7Very high7 Ų743.2 Ų43.24%0.03723%0.232CC..Hα-helixtrans-69.6-42.9-178.8-66.6-178.4000111.9L37 N41 L150 A156 K157 Y158L37-L154 HydrophobicContact CD1-CB 3.62Å; L37-L154 HydrophobicContact CD2-CB 4.27Å; L37-L154 HydrophobicContact CD2-CD1 3.85Å; L37-L154 HydrophobicContact CG-CB 3.82Å; L37-L154 HydrophobicContact CG-CD1 4.11Å; L37-L154 HydrophobicContact CG-CG 4.44Å; N41-L154 HydrophobicContact CB-CD1 4.1Å; N41-L154 HydrophobicContact CB-CD2 4.16Å; N41-L154 WeakPolarHBondContact OD1-CD2 3.27Å; L150-L154 HydrophobicContact CD1-CD1 3.84Å; L150-L154 HydrophobicContact CD1-CD2 4.18Å; L150-L154 HydrophobicContact CD1-CG 3.75Å; L150-L154 HydrophobicContact CD2-CD1 4.33Å; L150-L154 HydrophobicContact CG-CD1 3.74Å; L150-L154 HydrophobicContact CG-CG 4.06Å; L150-L154 WeakPolarHBondContact O-CB 3.41Å; L150-L154 WeakPolarHBondContact O-CG 3.26Å; L150-L154 PolarHBondContact O-N 2.84Å; L154-A156 VanDerWaalsContact C-N 3.32Å; L154-A156 PolarHBondContact O-N 2.95Å; L154-K157 PolarHBondContact O-N 3.34Å; L154-K157 VanDerWaalsContact O-N 3.12Å; L154-Y158 HydrophobicContact CD2-CE2 4.05Å; L154-Y158 VanDerWaalsContact O-CD2 3.28Å; L154-Y158 WeakPolarHBondContact O-CD2 3.29Å; L154-Y158 PolarHBondContact O-N 3.44Å
155I98.8Very high98.7Very high1 Ų145.1 Ų45.11%0.00524%0.241CC..Hα-helixtrans-60.6-44.3176.4-76.3178.6000110.7F123 L126 L138 I151 K157 Y158 L159 C164 V166F123-I155 HydrophobicContact CE1-CD1 4.37Å; F123-I155 HydrophobicContact CE1-CG1 4.19Å; F123-I155 HydrophobicContact CZ-CD1 4.13Å; F123-I155 HydrophobicContact CZ-CG1 3.96Å; L126-I155 HydrophobicContact CD2-CD1 4.11Å; L138-I155 HydrophobicContact CD2-CD1 3.43Å; L138-I155 VanDerWaalsContact CD2-CD1 3.43Å; I151-I155 HydrophobicContact CG2-CD1 3.92Å; I151-I155 WeakPolarHBondContact O-CB 3.24Å; I151-I155 WeakPolarHBondContact O-CG1 3.18Å; I151-I155 PolarHBondContact O-N 3.15Å; I155-K157 PolarHBondContact O-N 3.26Å; I155-Y158 PolarHBondContact O-N 3.46Å; I155-L159 HydrophobicContact CG1-CD1 4.5Å; I155-L159 HydrophobicContact CG2-CB 4.43Å; I155-L159 HydrophobicContact CG2-CD1 4.35Å; I155-L159 WeakPolarHBondContact O-CB 3.23Å; I155-L159 PolarHBondContact O-N 2.86Å; I155-C164 HydrophobicContact CG2-CB 4.1Å; I155-V166 HydrophobicContact CB-CG2 3.78Å; I155-V166 HydrophobicContact CD1-CG2 3.59Å; I155-V166 HydrophobicContact CG1-CG2 4.21Å; I155-V166 HydrophobicContact CG2-CG2 3.8Å
156A98.6Very high98.7Very high80 Ų8042.4 Ų42.466%0.66122%0.223SC*.Hα-helixtrans-62.6-29.1177.400000113.4S152 E153 L154S152-A156 WeakPolarHBondContact O-CB 3.46Å; S152-A156 PolarHBondContact O-N 3.12Å; E153-A156 PolarHBondContact O-N 2.87Å; L154-A156 VanDerWaalsContact C-N 3.32Å; L154-A156 PolarHBondContact O-N 2.95Å
157K98.7Very high98.7Very high137 Ų13741.5 Ų41.560%0.59621%0.214SC*.Hα-helixtrans-79.7-38.5178.6-179.2179.7171.8-158.30113.4E153 L154 I155E153-K157 WeakPolarHBondContact O-CB 3.47Å; E153-K157 PolarHBondContact O-N 3.48Å; E153-K157 VanDerWaalsContact O-N 3.11Å; L154-K157 PolarHBondContact O-N 3.34Å; L154-K157 VanDerWaalsContact O-N 3.12Å; I155-K157 PolarHBondContact O-N 3.26Å
158Y98.8Very high98.6Very high22 Ų2244.1 Ų44.19%0.08623%0.231CC..Hα-helixtrans-105.5-19.4-169.4-70.7-90.6000114.3N33 K36 L37 E40 N41 L154 I155N33-Y158 VanDerWaalsContact CB-O 3.27Å; N33-Y158 WeakPolarHBondContact CB-O 3.33Å; N33-Y158 PolarHBondContact ND2-O 3.49Å; N33-Y158 VanDerWaalsContact ND2-O 3.12Å; K36-Y158 HydrophobicContact CB-CD1 4.2Å; K36-Y158 HydrophobicContact CB-CE1 4.03Å; L37-Y158 HydrophobicContact CB-CD1 4.17Å; L37-Y158 HydrophobicContact CB-CD2 3.82Å; L37-Y158 HydrophobicContact CB-CE2 4.23Å; L37-Y158 HydrophobicContact CB-CG 3.81Å; L37-Y158 HydrophobicContact CD1-CD2 4.03Å; L37-Y158 HydrophobicContact CD1-CG 4.34Å; L37-Y158 HydrophobicContact CG-CD2 3.91Å; L37-Y158 HydrophobicContact CG-CE2 4.33Å; L37-Y158 HydrophobicContact CG-CG 4.35Å; E40-Y158 VanDerWaalsContact OE2-CE1 3.31Å; E40-Y158 WeakPolarHBondContact OE2-CE1 3.25Å; E40-Y158 VanDerWaalsContact OE2-CZ 3.31Å; E40-Y158 PolarHBondContact OE2-OH 2.87Å; N41-Y158 PolarHBondContact ND2-OH 2.78Å; L154-Y158 HydrophobicContact CD2-CE2 4.05Å; L154-Y158 VanDerWaalsContact O-CD2 3.28Å; L154-Y158 WeakPolarHBondContact O-CD2 3.29Å; L154-Y158 PolarHBondContact O-N 3.44Å; I155-Y158 PolarHBondContact O-N 3.46Å
159L98.7Very high98.5Very high12 Ų1244.8 Ų44.86%0.06324%0.239CC..SBendtrans-119.7143.9-177.1-65.3177.6000112.1A30 N33 I34 L126 I130 I155 C164A30-L159 HydrophobicContact CB-CD2 4.23Å; N33-L159 HydrophobicContact CB-CD2 4.37Å; I34-L159 HydrophobicContact CD1-CD1 4.27Å; I34-L159 HydrophobicContact CG1-CD1 4.12Å; I34-L159 HydrophobicContact CG1-CD2 4.17Å; I34-L159 HydrophobicContact CG1-CG 4.49Å; L126-L159 HydrophobicContact CD2-CD1 4.2Å; I130-L159 HydrophobicContact CD1-CD1 4.27Å; I155-L159 HydrophobicContact CG1-CD1 4.5Å; I155-L159 HydrophobicContact CG2-CB 4.43Å; I155-L159 HydrophobicContact CG2-CD1 4.35Å; I155-L159 WeakPolarHBondContact O-CB 3.23Å; I155-L159 PolarHBondContact O-N 2.86Å; L159-C164 HydrophobicContact CB-CB 4.45Å; L159-C164 HydrophobicContact CD1-CB 3.84Å
160D98.2Very high98.3Very high81 Ų8139.9 Ų39.943%0.43322%0.221SC..  trans-65.5140.4173.1-170.3-78.5000110.3H162 I163 C164D160-H162 PolarHBondContact O-N 3.3Å; D160-H162 VanDerWaalsContact O-N 3.15Å; D160-H162 WeakPolarHBondContact OD1-CA 3.34Å; D160-H162 WeakPolarHBondContact OD1-CB 3.48Å; D160-H162 IonicContact OD1-CE1 3.76Å; D160-H162 IonicContact OD1-CG 3.64Å; D160-H162 PolarHBondContact OD1-N 3.45Å; D160-H162 IonicContact OD1-ND1 2.6Å; D160-H162 PolarHBondContact OD1-ND1 3.22Å; D160-I163 HydrophobicContact CB-CB 4.48Å; D160-I163 HydrophobicContact CB-CD1 3.99Å; D160-I163 HydrophobicContact CB-CG1 4.23Å; D160-I163 WeakPolarHBondContact O-CA 3.49Å; D160-I163 WeakPolarHBondContact O-CB 3.4Å; D160-I163 PolarHBondContact O-N 3.24Å; D160-C164 PolarHBondContact O-N 3.14Å
161K98.4Very high98.2Very high122 Ų12243.4 Ų43.453%0.5325%0.245SC..THydrogen-bonded Turntrans-61.6-20.7179.566.3179.5-177.9-178.80114.3V11 L12 Q165V11-K161 HydrophobicContact CG1-CB 4.4Å; V11-K161 HydrophobicContact CG1-CD 4.25Å; V11-K161 HydrophobicContact CG1-CG 3.97Å; L12-K161 WeakPolarHBondContact CD2-O 3.45Å; K161-Q165 HydrophobicContact CB-CG 4.12Å; K161-Q165 WeakPolarHBondContact O-CG 3.37Å; K161-Q165 PolarHBondContact O-NE2 3.12Å
162H98.6Very high98Very high32 Ų3247.4 Ų47.415%0.14827%0.272CS..THydrogen-bonded Turntrans-80.8-19.2172.9-57.892.4000112V11 V20 S135 D160V11-H162 PolarHBondContact O-CD2 3.07Å; V20-H162 HydrophobicContact CG1-CB 4.06Å; V20-H162 HydrophobicContact CG2-CB 4.23Å; S135-H162 WeakPolarHBondContact CB-O 3.29Å; S135-H162 PolarHBondContact OG-O 3.26Å; D160-H162 PolarHBondContact O-N 3.3Å; D160-H162 VanDerWaalsContact O-N 3.15Å; D160-H162 WeakPolarHBondContact OD1-CA 3.34Å; D160-H162 WeakPolarHBondContact OD1-CB 3.48Å; D160-H162 IonicContact OD1-CE1 3.76Å; D160-H162 IonicContact OD1-CG 3.64Å; D160-H162 PolarHBondContact OD1-N 3.45Å; D160-H162 IonicContact OD1-ND1 2.6Å; D160-H162 PolarHBondContact OD1-ND1 3.22Å
163I98.7Very high98Very high17 Ų1746 Ų469%0.08726%0.262CS..THydrogen-bonded Turntrans-88.4-56.1175.8-68.5168.3000110.5V20 L21 A30 I130 S135 V136 D160V20-I163 HydrophobicContact CG2-CG1 4Å; L21-I163 HydrophobicContact CD1-CG1 4.21Å; L21-I163 HydrophobicContact CD1-CG2 4.13Å; L21-I163 HydrophobicContact CD2-CD1 3.92Å; L21-I163 HydrophobicContact CD2-CG1 4.06Å; L21-I163 HydrophobicContact CG-CD1 4.43Å; L21-I163 HydrophobicContact CG-CG1 4.03Å; A30-I163 HydrophobicContact CB-CD1 4.09Å; I130-I163 HydrophobicContact CD1-CG2 3.79Å; I130-I163 HydrophobicContact CG1-CG2 3.95Å; S135-I163 CarbonylContact C-O 3.41Å; S135-I163 VanDerWaalsContact CA-O 3.31Å; S135-I163 WeakPolarHBondContact CA-O 3.11Å; V136-I163 PolarHBondContact N-O 3.28Å; D160-I163 HydrophobicContact CB-CB 4.48Å; D160-I163 HydrophobicContact CB-CD1 3.99Å; D160-I163 HydrophobicContact CB-CG1 4.23Å; D160-I163 WeakPolarHBondContact O-CA 3.49Å; D160-I163 WeakPolarHBondContact O-CB 3.4Å; D160-I163 PolarHBondContact O-N 3.24Å
164C98.9Very high97.9Very high2 Ų241.8 Ų41.81%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-145.7136.9-176.9-170.40000112.1L126 V136 I155 L159 D160L126-C164 HydrophobicContact CD1-CB 4.2Å; V136-C164 VanDerWaalsContact O-CA 3.29Å; V136-C164 WeakPolarHBondContact O-CA 3.37Å; I155-C164 HydrophobicContact CG2-CB 4.1Å; L159-C164 HydrophobicContact CB-CB 4.45Å; L159-C164 HydrophobicContact CD1-CB 3.84Å; D160-C164 PolarHBondContact O-N 3.14Å
165Q98.7Very high97.8Very high39 Ų3947.3 Ų47.318%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-134155170.5-73.8-176.484.400110.2I8 L12 V136 L138 K161I8-Q165 HydrophobicContact CG2-CB 3.73Å; I8-Q165 HydrophobicContact CG2-CG 4.39Å; I8-Q165 PolarHBondContact O-NE2 3.3Å; L12-Q165 HydrophobicContact CD2-CB 4.44Å; L12-Q165 HydrophobicContact CD2-CG 4.42Å; V136-Q165 PolarHBondContact O-N 2.91Å; V136-Q165 VanDerWaalsContact O-N 3.13Å; L138-Q165 PolarHBondContact N-O 3.5Å; K161-Q165 HydrophobicContact CB-CG 4.12Å; K161-Q165 WeakPolarHBondContact O-CG 3.37Å; K161-Q165 PolarHBondContact O-NE2 3.12Å
166V98.8Very high97.7Very high22 Ų2249.6 Ų49.613%0.13328%0.279CS..EExtended strand (participates in β ladder)trans-113.9134.6-176.7-174.50000109.8L138 P140 I151 I155L138-V166 HydrophobicContact CB-CG2 4.37Å; L138-V166 HydrophobicContact CD2-CG2 4.32Å; L138-V166 VanDerWaalsContact O-CA 3.31Å; L138-V166 WeakPolarHBondContact O-CA 3.49Å; P140-V166 HydrophobicContact CG-CG1 3.86Å; I151-V166 HydrophobicContact CG2-CG2 4.49Å; I155-V166 HydrophobicContact CB-CG2 3.78Å; I155-V166 HydrophobicContact CD1-CG2 3.59Å; I155-V166 HydrophobicContact CG1-CG2 4.21Å; I155-V166 HydrophobicContact CG2-CG2 3.8Å
167I98.2Very high97.7Very high11 Ų1145.9 Ų45.96%0.05625%0.248CC..  trans-120112.9166.9-69.2171.3000108.1I5 I8 L137 L138 K139 V173 I177I5-I167 HydrophobicContact CB-CD1 4.18Å; I5-I167 HydrophobicContact CG1-CD1 3.92Å; I5-I167 HydrophobicContact CG2-CD1 3.96Å; I8-I167 HydrophobicContact CB-CD1 4.38Å; I8-I167 HydrophobicContact CD1-CD1 3.78Å; I8-I167 HydrophobicContact CD1-CG1 3.65Å; I8-I167 HydrophobicContact CG2-CD1 4.2Å; L137-I167 HydrophobicContact CD1-CB 4.2Å; L137-I167 HydrophobicContact CD1-CD1 3.56Å; L137-I167 HydrophobicContact CD1-CG1 3.71Å; L137-I167 HydrophobicContact CD2-CD1 4.02Å; L137-I167 HydrophobicContact CG-CD1 4.41Å; L138-I167 PolarHBondContact O-N 2.92Å; K139-I167 WeakPolarHBondContact CG-O 3.34Å; I167-V173 HydrophobicContact CG2-CG1 3.48Å; I167-V173 VanDerWaalsContact CG2-CG1 3.48Å; I167-I177 HydrophobicContact CB-CD1 4.45Å; I167-I177 HydrophobicContact CG2-CD1 4.15Å
168C97.5Very high97.6Very high55 Ų5540.4 Ų40.437%0.37223%0.226SC..  trans-84.7147171.4-63.40000110.4
169G96Very high97.4Very high19 Ų1944.2 Ų44.220%0.19624%0.244CC..  trans155.9167174.300000113.2K139K139-G169 WeakPolarHBondContact CE-O 3.42Å; K139-G169 PolarHBondContact NZ-O 3.43Å
170G95.6Very high97.2Very high17 Ų1747 Ų4718%0.17526%0.262CS..  trans-83-161.1-178.700000114.9S172 V173 S174G170-S172 PolarHBondContact O-N 3.38Å; G170-V173 PolarHBondContact O-N 2.95Å; G170-S174 PolarHBondContact O-N 2.91Å; G170-S174 VanDerWaalsContact O-N 3.13Å
171P95.2Very high97.2Very high94 Ų9443.9 Ų43.961%0.6124%0.244SC*.Hα-helixtrans-56.4-32.8179.5-27.736.4000114.2E142 V173 S174 K175E142-P171 WeakPolarHBondContact OE1-CD 3.24Å; P171-V173 PolarHBondContact O-N 3.47Å; P171-S174 PolarHBondContact O-N 3.04Å; P171-K175 WeakPolarHBondContact O-CB 3.43Å; P171-K175 PolarHBondContact O-N 3.31Å
172S96.4Very high97.1Very high83 Ų8345.7 Ų45.758%0.5825%0.248SC*.Hα-helixtrans-62.8-40.8176.654.70000112.4G170 I176G170-S172 PolarHBondContact O-N 3.38Å; S172-I176 WeakPolarHBondContact O-CG1 3.15Å; S172-I176 PolarHBondContact O-N 3.48Å
173V97.3Very high97.1Very high10 Ų1044.2 Ų44.26%0.06124%0.241CC..Hα-helixtrans-70.3-44.6176.6176.10000110.2M1 I5 I167 G170 P171 K175 I176 I177M1-V173 HydrophobicContact CE-CG2 4.25Å; M1-V173 HydrophobicContact CG-CG2 4.42Å; M1-V173 HydrophobicContact SD-CG2 4.24Å; I5-V173 HydrophobicContact CD1-CG1 4.16Å; I167-V173 HydrophobicContact CG2-CG1 3.48Å; I167-V173 VanDerWaalsContact CG2-CG1 3.48Å; G170-V173 PolarHBondContact O-N 2.95Å; P171-V173 PolarHBondContact O-N 3.47Å; V173-K175 VanDerWaalsContact C-N 3.28Å; V173-K175 PolarHBondContact O-N 3.34Å; V173-I176 PolarHBondContact O-N 2.98Å; V173-I177 HydrophobicContact CG1-CD1 4.03Å; V173-I177 HydrophobicContact CG1-CG1 4.46Å; V173-I177 WeakPolarHBondContact O-CG1 3.44Å; V173-I177 PolarHBondContact O-N 3.14Å
174S97.2Very high97.1Very high14 Ų1444.9 Ų44.910%0.09825%0.245CC..Hα-helixtrans-56.8-41.8175.2-63.10000112.4K139 G170 P171 I177 L178K139-S174 WeakPolarHBondContact CD-OG 3.3Å; K139-S174 WeakPolarHBondContact CE-OG 3.42Å; K139-S174 PolarHBondContact NZ-OG 3.24Å; G170-S174 PolarHBondContact O-N 2.91Å; G170-S174 VanDerWaalsContact O-N 3.13Å; P171-S174 PolarHBondContact O-N 3.04Å; S174-I177 PolarHBondContact O-N 2.96Å; S174-L178 WeakPolarHBondContact O-CB 3.42Å; S174-L178 VanDerWaalsContact O-CG 3.32Å; S174-L178 WeakPolarHBondContact O-CG 3.41Å; S174-L178 PolarHBondContact O-N 3.47Å
175K96.5Very high97.1Very high124 Ų12445 Ų4554%0.53925%0.245SC..Hα-helixtrans-61.3-47.9175.8-175.9177.2179.4-178.20111.9P171 V173 I177 L178 E179P171-K175 WeakPolarHBondContact O-CB 3.43Å; P171-K175 PolarHBondContact O-N 3.31Å; V173-K175 VanDerWaalsContact C-N 3.28Å; V173-K175 PolarHBondContact O-N 3.34Å; K175-I177 VanDerWaalsContact C-N 3.33Å; K175-I177 PolarHBondContact O-N 3.49Å; K175-L178 PolarHBondContact O-N 2.97Å; K175-E179 WeakPolarHBondContact CE-OE1 2.92Å; K175-E179 WeakPolarHBondContact CE-OE2 3.32Å; K175-E179 HydrophobicContact CG-CG 4.21Å; K175-E179 WeakPolarHBondContact CG-OE2 3.4Å; K175-E179 IonicContact NZ-OE1 3.59Å; K175-E179 WeakPolarHBondContact O-CB 3.45Å; K175-E179 WeakPolarHBondContact O-CG 3.43Å; K175-E179 PolarHBondContact O-N 3.17Å
176I97Very high97.1Very high48 Ų4843.3 Ų43.325%0.24624%0.238CC..Hα-helixtrans-59.7-45.2177.7-64164.5000110.4M1 I5 S172 V173 L178 E179 T180M1-I176 HydrophobicContact CG-CD1 4.19Å; I5-I176 HydrophobicContact CD1-CB 4.22Å; I5-I176 HydrophobicContact CD1-CG2 3.82Å; S172-I176 WeakPolarHBondContact O-CG1 3.15Å; S172-I176 PolarHBondContact O-N 3.48Å; V173-I176 PolarHBondContact O-N 2.98Å; I176-L178 PolarHBondContact O-N 3.33Å; I176-E179 PolarHBondContact O-N 2.93Å; I176-T180 HydrophobicContact CG2-CG2 4.15Å; I176-T180 WeakPolarHBondContact O-CB 3.34Å; I176-T180 WeakPolarHBondContact O-CG2 3.35Å; I176-T180 PolarHBondContact O-N 3.13Å; I176-T180 PolarHBondContact O-OG1 3.08Å
177I98Very high97.1Very high2 Ų242.3 Ų42.31%0.0123%0.231CC..Hα-helixtrans-55.9-53.1177.5-68.1170.6000110.3I5 L110 L137 K139 I167 V173 S174 K175 E179 Q181 F183I5-I177 HydrophobicContact CD1-CG1 3.73Å; I5-I177 HydrophobicContact CG2-CG1 4.01Å; L110-I177 HydrophobicContact CD1-CG2 4.04Å; L110-I177 HydrophobicContact CD2-CG2 3.7Å; L137-I177 HydrophobicContact CD2-CD1 4.3Å; L137-I177 HydrophobicContact CD2-CG2 4.12Å; K139-I177 HydrophobicContact CB-CD1 4.49Å; K139-I177 HydrophobicContact CG-CD1 4.16Å; I167-I177 HydrophobicContact CB-CD1 4.45Å; I167-I177 HydrophobicContact CG2-CD1 4.15Å; V173-I177 HydrophobicContact CG1-CD1 4.03Å; V173-I177 HydrophobicContact CG1-CG1 4.46Å; V173-I177 WeakPolarHBondContact O-CG1 3.44Å; V173-I177 PolarHBondContact O-N 3.14Å; S174-I177 PolarHBondContact O-N 2.96Å; K175-I177 VanDerWaalsContact C-N 3.33Å; K175-I177 PolarHBondContact O-N 3.49Å; I177-E179 PolarHBondContact O-N 2.85Å; I177-Q181 VanDerWaalsContact O-CB 3.29Å; I177-Q181 WeakPolarHBondContact O-CB 3.46Å; I177-Q181 PolarHBondContact O-N 2.98Å; I177-Q181 VanDerWaalsContact O-N 3.16Å; I177-F183 HydrophobicContact CG2-CE2 3.52Å; I177-F183 HydrophobicContact CG2-CZ 3.71Å
178L97.3Very high97.1Very high22 Ų2242.8 Ų42.812%0.11523%0.233CC..Hα-helixtrans-69.9-29.8-174.3-70.7169.3000113.6L110 M112 S174 K175 I176 I186 V198 A201L110-L178 HydrophobicContact CD2-CD2 3.88Å; M112-L178 HydrophobicContact CE-CD1 4.38Å; M112-L178 HydrophobicContact SD-CD1 4.33Å; M112-L178 HydrophobicContact SD-CD2 4.24Å; M112-L178 HydrophobicContact SD-CG 4.48Å; S174-L178 WeakPolarHBondContact O-CB 3.42Å; S174-L178 VanDerWaalsContact O-CG 3.32Å; S174-L178 WeakPolarHBondContact O-CG 3.41Å; S174-L178 PolarHBondContact O-N 3.47Å; K175-L178 PolarHBondContact O-N 2.97Å; I176-L178 PolarHBondContact O-N 3.33Å; L178-I186 HydrophobicContact CD2-CD1 4.05Å; L178-V198 HydrophobicContact CD1-CG2 4.01Å; L178-V198 HydrophobicContact CD2-CG1 4.38Å; L178-A201 HydrophobicContact CB-CB 3.83Å; L178-A201 HydrophobicContact CD1-CB 4.5Å; L178-A201 HydrophobicContact CD2-CB 4.36Å; L178-A201 HydrophobicContact CG-CB 4.46Å
179E95Very high97.2Very high103 Ų10340.5 Ų40.548%0.48122%0.217SC..Hα-helixtrans-90.6-29.7-177-69.8-178.7161.200113.7K175 I176 I177K175-E179 WeakPolarHBondContact CE-OE1 2.92Å; K175-E179 WeakPolarHBondContact CE-OE2 3.32Å; K175-E179 HydrophobicContact CG-CG 4.21Å; K175-E179 WeakPolarHBondContact CG-OE2 3.4Å; K175-E179 IonicContact NZ-OE1 3.59Å; K175-E179 WeakPolarHBondContact O-CB 3.45Å; K175-E179 WeakPolarHBondContact O-CG 3.43Å; K175-E179 PolarHBondContact O-N 3.17Å; I176-E179 PolarHBondContact O-N 2.93Å; I177-E179 PolarHBondContact O-N 2.85Å
180T94.8Very high97.2Very high69 Ų6940.4 Ų40.442%0.42322%0.216SC..Hα-helixtrans-107.5-20.7-171.168.30000114I176I176-T180 HydrophobicContact CG2-CG2 4.15Å; I176-T180 WeakPolarHBondContact O-CB 3.34Å; I176-T180 WeakPolarHBondContact O-CG2 3.35Å; I176-T180 PolarHBondContact O-N 3.13Å; I176-T180 PolarHBondContact O-OG1 3.08Å
181Q96.6Very high97.2Very high16 Ų1641.3 Ų41.38%0.07523%0.225CC..  trans-109.6150.3-173.9-52.8-57.1-5200111.6I5 T9 I177 F183 Q205I5-Q181 HydrophobicContact CG2-CG 3.61Å; T9-Q181 HydrophobicContact CG2-CB 4.2Å; T9-Q181 HydrophobicContact CG2-CG 3.96Å; T9-Q181 PolarHBondContact OG1-OE1 3.3Å; I177-Q181 VanDerWaalsContact O-CB 3.29Å; I177-Q181 WeakPolarHBondContact O-CB 3.46Å; I177-Q181 PolarHBondContact O-N 2.98Å; I177-Q181 VanDerWaalsContact O-N 3.16Å; Q181-F183 HydrophobicContact CB-CD2 4.49Å; Q181-F183 HydrophobicContact CB-CE2 3.65Å; Q181-F183 HydrophobicContact CB-CZ 3.87Å; Q181-Q205 PolarHBondContact O-NE2 3.49Å; Q181-Q205 PolarHBondContact O-OE1 3.1Å
182R96.6Very high97.2Very high160 Ų16037.8 Ų37.860%0.60420%0.202SC*.  trans-97.6134.1171-174.4174.6175.1-179.7-1.1111.1R13R13-R182 PolarHBondContact NH2-O 2.8Å
183F98.5Very high97.1Very high2 Ų238.3 Ų38.31%0.00920%0.202CC..  trans-125.1150.1171.2-62.4-77.3000110T9 V108 L110 L137 I177 Q181 I186 T207T9-F183 HydrophobicContact CG2-CE1 4.3Å; T9-F183 HydrophobicContact CG2-CZ 4.13Å; V108-F183 HydrophobicContact CG1-CD1 3.94Å; V108-F183 HydrophobicContact CG1-CE1 4.11Å; L110-F183 HydrophobicContact CB-CB 4.33Å; L110-F183 HydrophobicContact CB-CD1 3.61Å; L110-F183 HydrophobicContact CB-CD2 3.88Å; L110-F183 HydrophobicContact CB-CE1 3.83Å; L110-F183 HydrophobicContact CB-CE2 4.1Å; L110-F183 HydrophobicContact CB-CG 3.64Å; L110-F183 HydrophobicContact CB-CZ 4.09Å; L110-F183 HydrophobicContact CD1-CZ 4.37Å; L110-F183 HydrophobicContact CD2-CD2 3.98Å; L110-F183 HydrophobicContact CD2-CE2 3.83Å; L110-F183 HydrophobicContact CD2-CZ 4.33Å; L110-F183 HydrophobicContact CG-CE2 4.42Å; L110-F183 HydrophobicContact CG-CZ 4.5Å; L137-F183 HydrophobicContact CB-CE1 3.99Å; L137-F183 HydrophobicContact CD2-CE1 3.94Å; L137-F183 HydrophobicContact CD2-CZ 3.63Å; I177-F183 HydrophobicContact CG2-CE2 3.52Å; I177-F183 HydrophobicContact CG2-CZ 3.71Å; Q181-F183 HydrophobicContact CB-CD2 4.49Å; Q181-F183 HydrophobicContact CB-CE2 3.65Å; Q181-F183 HydrophobicContact CB-CZ 3.87Å; F183-I186 HydrophobicContact CB-CG1 3.97Å; F183-I186 HydrophobicContact CD2-CG1 4.4Å; F183-I186 HydrophobicContact CG-CG1 4.44Å; F183-T207 HydrophobicContact CB-CG2 4.36Å; F183-T207 WeakPolarHBondContact O-CG2 3.36Å; F183-T207 PolarHBondContact O-OG1 2.6Å
184D98.6Very high97Very high31 Ų3141.4 Ų41.417%0.16622%0.217CC..SBendtrans-91.1-17.8-179.1-54.5-70.8000110.8R13 Y106 V108 P208R13-D184 IonicContact CZ-OD2 3.32Å; R13-D184 IonicContact NH1-OD1 2.68Å; R13-D184 IonicContact NH1-OD2 2.77Å; R13-D184 PolarHBondContact NH1-OD2 2.85Å; R13-D184 IonicContact NH2-OD2 3.46Å; R13-D184 PolarHBondContact NH2-OD2 2.98Å; Y106-D184 WeakPolarHBondContact CD1-O 3.23Å; Y106-D184 VanDerWaalsContact O-CB 3.3Å; Y106-D184 WeakPolarHBondContact O-CB 3.38Å; V108-D184 PolarHBondContact N-OD2 2.84Å; V108-D184 PolarHBondContact O-N 3.16Å; D184-P208 VanDerWaalsContact O-CD 3.32Å; D184-P208 WeakPolarHBondContact O-CD 3.45Å; D184-P208 VanDerWaalsContact O-CG 3.3Å; D184-P208 WeakPolarHBondContact O-CG 3.29Å
185L98.8Very high97.1Very high4 Ų440.7 Ų40.72%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-156.4145.3163.4178.9151.3000110Y106 V109 L110 F187 P208 V210 T425 F426Y106-L185 HydrophobicContact CD2-CB 4.26Å; Y106-L185 HydrophobicContact CD2-CD1 3.82Å; Y106-L185 HydrophobicContact CE2-CD1 3.69Å; Y106-L185 HydrophobicContact CG-CB 4.23Å; V109-L185 WeakPolarHBondContact CA-O 3.4Å; V109-L185 HydrophobicContact CG1-CD2 3.85Å; V109-L185 HydrophobicContact CG2-CB 4.25Å; L110-L185 PolarHBondContact N-O 3.01Å; L185-F187 HydrophobicContact CD2-CB 4.26Å; L185-P208 WeakPolarHBondContact CA-O 3.28Å; L185-P208 HydrophobicContact CB-CG 4.19Å; L185-P208 HydrophobicContact CG-CG 4.42Å; L185-V210 HydrophobicContact CD2-CG2 4.45Å; L185-T425 VanDerWaalsContact CD1-O 3.32Å; L185-T425 WeakPolarHBondContact CD1-O 3.28Å; L185-F426 HydrophobicContact CD1-CD1 4.37Å; L185-F426 HydrophobicContact CD2-CD1 3.84Å; L185-F426 HydrophobicContact CD2-CE1 3.66Å
186I98.9Very high97.1Very high4 Ų441.8 Ų41.82%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-116.2123.7172.9-62.6162.2000109.9L110 L178 F183 V198 A202 T207 P208 V209 V210L110-I186 HydrophobicContact CB-CG1 4.11Å; L110-I186 HydrophobicContact CB-CG2 4.47Å; L110-I186 HydrophobicContact CD2-CG1 4.2Å; L110-I186 HydrophobicContact CD2-CG2 4.11Å; L110-I186 HydrophobicContact CG-CG2 4.36Å; L178-I186 HydrophobicContact CD2-CD1 4.05Å; F183-I186 HydrophobicContact CB-CG1 3.97Å; F183-I186 HydrophobicContact CD2-CG1 4.4Å; F183-I186 HydrophobicContact CG-CG1 4.44Å; I186-V198 HydrophobicContact CG2-CG1 3.68Å; I186-A202 HydrophobicContact CD1-CB 3.83Å; I186-T207 HydrophobicContact CD1-CG2 3.9Å; I186-T207 HydrophobicContact CG1-CG2 3.83Å; I186-P208 PolarHBondContact N-O 2.81Å; I186-V209 HydrophobicContact CB-CG1 4.36Å; I186-V209 CarbonylContact O-C 3.57Å; I186-V209 VanDerWaalsContact O-CA 3.24Å; I186-V209 WeakPolarHBondContact O-CA 3.37Å; I186-V210 PolarHBondContact O-N 3.23Å
187F98.9Very high97.1Very high0 Ų045.1 Ų45.10%023%0.228CC..EExtended strand (participates in β ladder)trans-107.8118.5173-173.1-77.2000108.9L110 I111 M112 P125 L185 T189 V210 E212 Y417 F426L110-F187 PolarHBondContact O-N 3.27Å; I111-F187 CarbonylContact C-O 3.21Å; I111-F187 WeakPolarHBondContact CA-O 3.35Å; I111-F187 HydrophobicContact CG1-CB 4.25Å; I111-F187 HydrophobicContact CG2-CD1 4.31Å; M112-F187 PolarHBondContact N-O 2.95Å; P125-F187 HydrophobicContact CB-CD1 3.84Å; P125-F187 HydrophobicContact CB-CD2 4.15Å; P125-F187 HydrophobicContact CB-CE1 3.7Å; P125-F187 HydrophobicContact CB-CE2 4.03Å; P125-F187 HydrophobicContact CB-CG 4.08Å; P125-F187 HydrophobicContact CB-CZ 3.81Å; P125-F187 HydrophobicContact CG-CD1 4.08Å; P125-F187 HydrophobicContact CG-CE1 3.78Å; P125-F187 HydrophobicContact CG-CZ 4.25Å; L185-F187 HydrophobicContact CD2-CB 4.26Å; F187-T189 WeakPolarHBondContact CE1-OG1 3.5Å; F187-V210 HydrophobicContact CD2-CB 3.56Å; F187-V210 HydrophobicContact CD2-CG1 3.62Å; F187-V210 HydrophobicContact CD2-CG2 4.07Å; F187-V210 HydrophobicContact CE2-CB 4.04Å; F187-V210 HydrophobicContact CE2-CG1 3.53Å; F187-V210 HydrophobicContact CG-CB 4.27Å; F187-V210 HydrophobicContact CZ-CG1 4.42Å; F187-E212 HydrophobicContact CE1-CG 4.38Å; F187-E212 HydrophobicContact CE2-CG 4.45Å; F187-E212 HydrophobicContact CZ-CG 3.82Å; F187-Y417 AromaticContact CE2-CD1 3.85Å; F187-Y417 HydrophobicContact CE2-CD1 3.85Å; F187-Y417 HydrophobicContact CE2-CD2 4.28Å; F187-Y417 HydrophobicContact CE2-CE1 4.35Å; F187-Y417 AromaticContact CE2-CG 3.84Å; F187-Y417 HydrophobicContact CE2-CG 3.84Å; F187-Y417 AromaticContact CZ-CD1 3.73Å; F187-Y417 HydrophobicContact CZ-CD1 3.73Å; F187-Y417 HydrophobicContact CZ-CD2 4.15Å; F187-Y417 AromaticContact CZ-CE1 3.75Å; F187-Y417 HydrophobicContact CZ-CE1 3.75Å; F187-Y417 HydrophobicContact CZ-CE2 4.18Å; F187-Y417 AromaticContact CZ-CG 3.96Å; F187-Y417 HydrophobicContact CZ-CG 3.96Å; F187-F426 HydrophobicContact CB-CE1 4.23Å; F187-F426 HydrophobicContact CB-CZ 4.39Å; F187-F426 HydrophobicContact CD2-CE1 4.06Å; F187-F426 AromaticContact CD2-CZ 3.56Å; F187-F426 HydrophobicContact CD2-CZ 3.56Å; F187-F426 HydrophobicContact CE2-CZ 4.14Å; F187-F426 HydrophobicContact CG-CE1 4.47Å; F187-F426 HydrophobicContact CG-CZ 4.16Å
188Y98.8Very high97.2Very high21 Ų2145 Ų458%0.08223%0.227CC..EExtended strand (participates in β ladder)trans-125.2131.3-179.8171.5-97.2000110.4M112 G190 G191 I194 V198 V210 L211 E212 L213M112-Y188 HydrophobicContact CB-CD2 3.75Å; M112-Y188 HydrophobicContact CE-CD2 4.28Å; M112-Y188 HydrophobicContact SD-CD2 4.23Å; Y188-G190 WeakPolarHBondContact OH-CA 3.33Å; Y188-G191 PolarHBondContact OH-N 2.78Å; Y188-I194 HydrophobicContact CE2-CG2 3.81Å; Y188-I194 VanDerWaalsContact OH-CB 3.32Å; Y188-I194 WeakPolarHBondContact OH-CB 3.32Å; Y188-I194 WeakPolarHBondContact OH-CG2 3.46Å; Y188-V198 HydrophobicContact CD2-CG2 3.88Å; Y188-V198 HydrophobicContact CE2-CG2 4.32Å; Y188-V198 HydrophobicContact CG-CG2 4.05Å; Y188-V210 PolarHBondContact N-O 3.26Å; Y188-L211 HydrophobicContact CD1-CD2 4.25Å; Y188-L211 WeakPolarHBondContact O-CA 3.27Å; Y188-E212 PolarHBondContact O-N 2.92Å; Y188-L213 HydrophobicContact CD1-CD2 3.85Å; Y188-L213 HydrophobicContact CE1-CD2 3.7Å
189T98.8Very high97.2Very high8 Ų849.3 Ų49.35%0.04924%0.243CC..EExtended strand (participates in β ladder)trans-117.4131165.9-49.20000109.8M112 P114 L121 F187 E212M112-T189 PolarHBondContact O-N 2.82Å; M112-T189 VanDerWaalsContact O-N 3.1Å; P114-T189 HydrophobicContact CB-CG2 4.47Å; P114-T189 HydrophobicContact CG-CG2 3.73Å; L121-T189 HydrophobicContact CD1-CG2 4.37Å; F187-T189 WeakPolarHBondContact CE1-OG1 3.5Å; T189-E212 VanDerWaalsContact CA-O 3.23Å; T189-E212 WeakPolarHBondContact CA-O 3.48Å; T189-E212 HydrophobicContact CG2-CB 3.77Å; T189-E212 WeakPolarHBondContact CG2-O 3.22Å
190G97.4Very high97.3Very high16 Ų1648.9 Ų48.917%0.16525%0.247CC..SBendtrans159-149.5175.400000114.2Y188 E212 L213Y188-G190 WeakPolarHBondContact OH-CA 3.33Å; G190-E212 PolarHBondContact N-O 3.06Å; G190-L213 WeakPolarHBondContact O-CA 3.28Å
191G94.9Very high97.5Very high36 Ų3646.2 Ų46.237%0.37123%0.232SC..  trans-78.3146.5-17400000113.2Y188 T193 I194 G195Y188-G191 PolarHBondContact OH-N 2.78Å; G191-T193 VanDerWaalsContact C-N 3.27Å; G191-T193 PolarHBondContact O-N 3.1Å; G191-I194 PolarHBondContact O-N 3.08Å; G191-G195 PolarHBondContact O-N 2.88Å
192T94.6Very high97.6Very high21 Ų2145.5 Ų45.513%0.12923%0.228CC..Hα-helixtrans-55.4-37.7-177.7-51.40000113.6G195 R196 L213 H411T192-G195 PolarHBondContact O-N 3.49Å; T192-R196 WeakPolarHBondContact O-CG 3.44Å; T192-R196 PolarHBondContact O-N 2.75Å; T192-L213 HydrophobicContact CG2-CD1 4.25Å; T192-H411 PolarHBondContact OG1-NE2 3.02Å
193T94.5Very high97.6Very high94 Ų9440.7 Ų40.758%0.57722%0.223SC*.Hα-helixtrans-60.2-51178.4-57.10000111.9G191 R196 E197G191-T193 VanDerWaalsContact C-N 3.27Å; G191-T193 PolarHBondContact O-N 3.1Å; T193-R196 PolarHBondContact O-N 2.62Å; T193-E197 PolarHBondContact O-N 3.42Å
194I96.1Very high97.5Very high74 Ų7447.8 Ų47.838%0.37925%0.254SS..Hα-helixtrans-71.4-33.8178.8-58.6-58.3000110.8Y188 G191 R196 E197 V198Y188-I194 HydrophobicContact CE2-CG2 3.81Å; Y188-I194 VanDerWaalsContact OH-CB 3.32Å; Y188-I194 WeakPolarHBondContact OH-CB 3.32Å; Y188-I194 WeakPolarHBondContact OH-CG2 3.46Å; G191-I194 PolarHBondContact O-N 3.08Å; I194-R196 PolarHBondContact O-N 2.83Å; I194-E197 WeakPolarHBondContact O-CB 3.23Å; I194-E197 PolarHBondContact O-N 3.25Å; I194-V198 HydrophobicContact CG2-CG2 4.34Å; I194-V198 WeakPolarHBondContact O-CG2 3.46Å; I194-V198 PolarHBondContact O-N 3.14Å
195G97.8Very high97.4Very high0 Ų049.1 Ų49.10%026%0.259CS..Hα-helixtrans-55.4-38.9172.600000113G191 T192 Y199G191-G195 PolarHBondContact O-N 2.88Å; T192-G195 PolarHBondContact O-N 3.49Å; G195-Y199 WeakPolarHBondContact O-CB 3.38Å; G195-Y199 PolarHBondContact O-N 3.37Å
196R97.6Very high97.3Very high147 Ų14756.5 Ų56.556%0.55530%0.298SS*.Hα-helixtrans-65.5-42173.3-68.5179.1-170.6124.5-0.3112.3T192 T193 I194 Y199 V200T192-R196 WeakPolarHBondContact O-CG 3.44Å; T192-R196 PolarHBondContact O-N 2.75Å; T193-R196 PolarHBondContact O-N 2.62Å; I194-R196 PolarHBondContact O-N 2.83Å; R196-Y199 PolarHBondContact O-N 3.46Å; R196-V200 WeakPolarHBondContact O-CG2 3.4Å; R196-V200 PolarHBondContact O-N 2.94Å
197E97.5Very high97.3Very high117 Ų11756.8 Ų56.855%0.54730%0.3SS..Hα-helixtrans-62.6-44.3177.4-65.6177.6-157.200111.6T193 I194 Y199 V200 A201T193-E197 PolarHBondContact O-N 3.42Å; I194-E197 WeakPolarHBondContact O-CB 3.23Å; I194-E197 PolarHBondContact O-N 3.25Å; E197-Y199 VanDerWaalsContact C-N 3.32Å; E197-Y199 PolarHBondContact O-N 3.21Å; E197-V200 PolarHBondContact O-N 3.01Å; E197-A201 PolarHBondContact O-N 3.36Å
198V98.3Very high97.3Very high1 Ų159.1 Ų59.11%0.00632%0.315CS..Hα-helixtrans-58.6-45.5173.6173.10000110.5M112 L178 I186 Y188 I194 V200 A201 A202 L211M112-V198 HydrophobicContact CE-CG2 4.37Å; M112-V198 HydrophobicContact SD-CG2 4.14Å; L178-V198 HydrophobicContact CD1-CG2 4.01Å; L178-V198 HydrophobicContact CD2-CG1 4.38Å; I186-V198 HydrophobicContact CG2-CG1 3.68Å; Y188-V198 HydrophobicContact CD2-CG2 3.88Å; Y188-V198 HydrophobicContact CE2-CG2 4.32Å; Y188-V198 HydrophobicContact CG-CG2 4.05Å; I194-V198 HydrophobicContact CG2-CG2 4.34Å; I194-V198 WeakPolarHBondContact O-CG2 3.46Å; I194-V198 PolarHBondContact O-N 3.14Å; V198-V200 PolarHBondContact O-N 3.28Å; V198-A201 PolarHBondContact O-N 3.01Å; V198-A202 WeakPolarHBondContact O-CB 3.4Å; V198-A202 PolarHBondContact O-N 3.3Å; V198-L211 HydrophobicContact CG1-CD2 4.28Å
199Y98.2Very high97.3Very high111 Ų11159 Ų5944%0.43532%0.316SS..Hα-helixtrans-65.6-40.8-178.6-160.9-173.3000112.4G195 R196 E197 A201 A202 A203 V209 L211 I414G195-Y199 WeakPolarHBondContact O-CB 3.38Å; G195-Y199 PolarHBondContact O-N 3.37Å; R196-Y199 PolarHBondContact O-N 3.46Å; E197-Y199 VanDerWaalsContact C-N 3.32Å; E197-Y199 PolarHBondContact O-N 3.21Å; Y199-A201 VanDerWaalsContact C-N 3.33Å; Y199-A201 PolarHBondContact O-N 2.99Å; Y199-A202 PolarHBondContact O-N 2.97Å; Y199-A203 WeakPolarHBondContact O-CB 3.46Å; Y199-A203 PolarHBondContact O-N 3.36Å; Y199-V209 HydrophobicContact CD2-CB 4.42Å; Y199-V209 HydrophobicContact CD2-CG1 4.02Å; Y199-V209 HydrophobicContact CD2-CG2 3.51Å; Y199-V209 HydrophobicContact CE2-CG1 4.48Å; Y199-V209 HydrophobicContact CE2-CG2 3.48Å; Y199-V209 VanDerWaalsContact CE2-CG2 3.48Å; Y199-V209 HydrophobicContact CG-CG2 4.14Å; Y199-L211 HydrophobicContact CD1-CD1 4.04Å; Y199-L211 HydrophobicContact CG-CD1 4.12Å; Y199-I414 HydrophobicContact CD1-CD1 3.95Å; Y199-I414 HydrophobicContact CE1-CD1 3.34Å
200V98Very high97.3Very high95 Ų9558.9 Ų58.958%0.57632%0.315SS*.Hα-helixtrans-61.7-41.4174168.30000111.2R196 E197 V198 A203R196-V200 WeakPolarHBondContact O-CG2 3.4Å; R196-V200 PolarHBondContact O-N 2.94Å; E197-V200 PolarHBondContact O-N 3.01Å; V198-V200 PolarHBondContact O-N 3.28Å; V200-A203 PolarHBondContact O-N 3.38Å
201A97.6Very high97.3Very high12 Ų1258.3 Ų58.310%0.09931%0.309CS..Hα-helixtrans-65-45.1176.500000112L178 E197 V198 Y199 A203 K204L178-A201 HydrophobicContact CB-CB 3.83Å; L178-A201 HydrophobicContact CD1-CB 4.5Å; L178-A201 HydrophobicContact CD2-CB 4.36Å; L178-A201 HydrophobicContact CG-CB 4.46Å; E197-A201 PolarHBondContact O-N 3.36Å; V198-A201 PolarHBondContact O-N 3.01Å; Y199-A201 VanDerWaalsContact C-N 3.33Å; Y199-A201 PolarHBondContact O-N 2.99Å; A201-A203 VanDerWaalsContact C-N 3.3Å; A201-A203 PolarHBondContact O-N 3.36Å; A201-K204 WeakPolarHBondContact O-CB 3.36Å; A201-K204 PolarHBondContact O-N 2.7Å
202A98.3Very high97.5Very high1 Ų156.8 Ų56.81%0.00829%0.292CS..Hα-helixtrans-60.2-39.1177.300000112.4I186 V198 Y199 K204 Q205 L206 T207 V209I186-A202 HydrophobicContact CD1-CB 3.83Å; V198-A202 WeakPolarHBondContact O-CB 3.4Å; V198-A202 PolarHBondContact O-N 3.3Å; Y199-A202 PolarHBondContact O-N 2.97Å; A202-K204 PolarHBondContact O-N 3Å; A202-Q205 PolarHBondContact O-N 2.95Å; A202-L206 PolarHBondContact O-N 3.23Å; A202-L206 VanDerWaalsContact O-N 3.14Å; A202-T207 PolarHBondContact O-N 2.7Å; A202-V209 HydrophobicContact CB-CG1 3.31Å
203A97.9Very high97.7Very high59 Ų5956.1 Ų56.149%0.48829%0.288SS..Hα-helixtrans-60.3-32.2179.200000113Y199 V200 A201 Q205 L206Y199-A203 WeakPolarHBondContact O-CB 3.46Å; Y199-A203 PolarHBondContact O-N 3.36Å; V200-A203 PolarHBondContact O-N 3.38Å; A201-A203 VanDerWaalsContact C-N 3.3Å; A201-A203 PolarHBondContact O-N 3.36Å; A203-Q205 PolarHBondContact O-N 3.04Å; A203-Q205 VanDerWaalsContact O-N 3.14Å; A203-L206 PolarHBondContact O-N 2.78Å
204K96.8Very high97.6Very high151 Ų15151.7 Ų51.766%0.65726%0.26SS*.THydrogen-bonded Turntrans-60.4-23.8176.7-64.1177.5-178.3176.70113A201 A202A201-K204 WeakPolarHBondContact O-CB 3.36Å; A201-K204 PolarHBondContact O-N 2.7Å; A202-K204 PolarHBondContact O-N 3Å
205Q95.2Very high97.5Very high59 Ų5948.5 Ų48.528%0.27625%0.246SC..THydrogen-bonded Turntrans-117.35.9-177.5-60-179.67.300113.1Q181 A202 A203 T207Q181-Q205 PolarHBondContact O-NE2 3.49Å; Q181-Q205 PolarHBondContact O-OE1 3.1Å; A202-Q205 PolarHBondContact O-N 2.95Å; A203-Q205 PolarHBondContact O-N 3.04Å; A203-Q205 VanDerWaalsContact O-N 3.14Å; Q205-T207 PolarHBondContact O-N 3.14Å
206L97.5Very high97.5Very high159 Ų15949.2 Ų49.283%0.83225%0.249SC*.THydrogen-bonded Turntrans55.232.8-172.3-54.2176.2000113A202 A203A202-L206 PolarHBondContact O-N 3.23Å; A202-L206 VanDerWaalsContact O-N 3.14Å; A203-L206 PolarHBondContact O-N 2.78Å
207T98.5Very high97.6Very high10 Ų1042.2 Ų42.26%0.06122%0.222CC..  trans-79.4126.6179.3-59.40000109.8F183 I186 A202 Q205F183-T207 HydrophobicContact CB-CG2 4.36Å; F183-T207 WeakPolarHBondContact O-CG2 3.36Å; F183-T207 PolarHBondContact O-OG1 2.6Å; I186-T207 HydrophobicContact CD1-CG2 3.9Å; I186-T207 HydrophobicContact CG1-CG2 3.83Å; A202-T207 PolarHBondContact O-N 2.7Å; Q205-T207 PolarHBondContact O-N 3.14Å
208P98.6Very high97.6Very high50 Ų5036.7 Ų36.733%0.32520%0.197SC..  trans-64.4147.5172.627.6-33.9000110.7Y106 D184 L185 I186Y106-P208 HydrophobicContact CD1-CG 4.3Å; Y106-P208 HydrophobicContact CE1-CG 3.86Å; D184-P208 VanDerWaalsContact O-CD 3.32Å; D184-P208 WeakPolarHBondContact O-CD 3.45Å; D184-P208 VanDerWaalsContact O-CG 3.3Å; D184-P208 WeakPolarHBondContact O-CG 3.29Å; L185-P208 WeakPolarHBondContact CA-O 3.28Å; L185-P208 HydrophobicContact CB-CG 4.19Å; L185-P208 HydrophobicContact CG-CG 4.42Å; I186-P208 PolarHBondContact N-O 2.81Å
209V98.8Very high97.7Very high18 Ų1836.7 Ų36.711%0.10920%0.196CC..EExtended strand (participates in β ladder)trans-123.6149.5-179.1-59.10000111.9I186 Y199 A202 L211I186-V209 HydrophobicContact CB-CG1 4.36Å; I186-V209 CarbonylContact O-C 3.57Å; I186-V209 VanDerWaalsContact O-CA 3.24Å; I186-V209 WeakPolarHBondContact O-CA 3.37Å; Y199-V209 HydrophobicContact CD2-CB 4.42Å; Y199-V209 HydrophobicContact CD2-CG1 4.02Å; Y199-V209 HydrophobicContact CD2-CG2 3.51Å; Y199-V209 HydrophobicContact CE2-CG1 4.48Å; Y199-V209 HydrophobicContact CE2-CG2 3.48Å; Y199-V209 VanDerWaalsContact CE2-CG2 3.48Å; Y199-V209 HydrophobicContact CG-CG2 4.14Å; A202-V209 HydrophobicContact CB-CG1 3.31Å; V209-L211 HydrophobicContact CB-CD2 4.14Å; V209-L211 HydrophobicContact CB-CG 4.23Å; V209-L211 HydrophobicContact CG2-CD1 4.15Å; V209-L211 HydrophobicContact CG2-CD2 4.29Å; V209-L211 HydrophobicContact CG2-CG 3.9Å
210V98.8Very high97.7Very high5 Ų531.4 Ų31.43%0.0318%0.176CC..EExtended strand (participates in β ladder)trans-117.5123.2159.6-175.80000106.7L185 I186 F187 Y188 I414 T425L185-V210 HydrophobicContact CD2-CG2 4.45Å; I186-V210 PolarHBondContact O-N 3.23Å; F187-V210 HydrophobicContact CD2-CB 3.56Å; F187-V210 HydrophobicContact CD2-CG1 3.62Å; F187-V210 HydrophobicContact CD2-CG2 4.07Å; F187-V210 HydrophobicContact CE2-CB 4.04Å; F187-V210 HydrophobicContact CE2-CG1 3.53Å; F187-V210 HydrophobicContact CG-CB 4.27Å; F187-V210 HydrophobicContact CZ-CG1 4.42Å; Y188-V210 PolarHBondContact N-O 3.26Å; V210-I414 CarbonylContact C-O 3.47Å; V210-I414 WeakPolarHBondContact CA-O 3.44Å; V210-T425 HydrophobicContact CG2-CG2 3.39Å
211L98.8Very high97.7Very high4 Ų426.9 Ų26.92%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-120105.3-177.8-56.5-179.5000108.2Y188 V198 Y199 V209 L213 G413 I414Y188-L211 HydrophobicContact CD1-CD2 4.25Å; Y188-L211 WeakPolarHBondContact O-CA 3.27Å; V198-L211 HydrophobicContact CG1-CD2 4.28Å; Y199-L211 HydrophobicContact CD1-CD1 4.04Å; Y199-L211 HydrophobicContact CG-CD1 4.12Å; V209-L211 HydrophobicContact CB-CD2 4.14Å; V209-L211 HydrophobicContact CB-CG 4.23Å; V209-L211 HydrophobicContact CG2-CD1 4.15Å; V209-L211 HydrophobicContact CG2-CD2 4.29Å; V209-L211 HydrophobicContact CG2-CG 3.9Å; L211-L213 HydrophobicContact CB-CD1 4.25Å; L211-L213 HydrophobicContact CB-CD2 4.18Å; L211-L213 HydrophobicContact CB-CG 4.06Å; L211-G413 CarbonylContact O-C 3.46Å; L211-G413 WeakPolarHBondContact O-CA 3.47Å; L211-I414 HydrophobicContact CB-CB 4.45Å; L211-I414 HydrophobicContact CD1-CD1 4.01Å; L211-I414 HydrophobicContact CD1-CG1 4.39Å; L211-I414 PolarHBondContact N-O 3.35Å; L211-I414 PolarHBondContact O-N 3.41Å
212E98.6Very high97.7Very high4 Ų426.8 Ų26.82%0.01915%0.146CC..EExtended strand (participates in β ladder)trans-94.295.4172.5-69.5-64.1148.900108.4F187 Y188 T189 G190 F406 G407 Y417F187-E212 HydrophobicContact CE1-CG 4.38Å; F187-E212 HydrophobicContact CE2-CG 4.45Å; F187-E212 HydrophobicContact CZ-CG 3.82Å; Y188-E212 PolarHBondContact O-N 2.92Å; T189-E212 VanDerWaalsContact CA-O 3.23Å; T189-E212 WeakPolarHBondContact CA-O 3.48Å; T189-E212 HydrophobicContact CG2-CB 3.77Å; T189-E212 WeakPolarHBondContact CG2-O 3.22Å; G190-E212 PolarHBondContact N-O 3.06Å; E212-F406 WeakPolarHBondContact OE2-CD1 3.4Å; E212-F406 VanDerWaalsContact OE2-CE1 3.25Å; E212-F406 WeakPolarHBondContact OE2-CE1 3.24Å; E212-G407 VanDerWaalsContact OE1-CA 3.23Å; E212-G407 WeakPolarHBondContact OE1-CA 3.19Å; E212-G407 WeakPolarHBondContact OE2-CA 3.27Å; E212-Y417 HydrophobicContact CG-CD1 4.15Å; E212-Y417 HydrophobicContact CG-CE1 3.77Å; E212-Y417 WeakPolarHBondContact OE1-CD1 3.42Å
213L98Very high97.5Very high8 Ų828.9 Ų28.94%0.04216%0.161CC..  trans-105.2-178.5-173.2-48.5175.5000111.2Y188 G190 T192 L211 S412Y188-L213 HydrophobicContact CD1-CD2 3.85Å; Y188-L213 HydrophobicContact CE1-CD2 3.7Å; G190-L213 WeakPolarHBondContact O-CA 3.28Å; T192-L213 HydrophobicContact CG2-CD1 4.25Å; L211-L213 HydrophobicContact CB-CD1 4.25Å; L211-L213 HydrophobicContact CB-CD2 4.18Å; L211-L213 HydrophobicContact CB-CG 4.06Å; L213-S412 CarbonylContact C-O 3.57Å; L213-S412 WeakPolarHBondContact CA-O 3.38Å; L213-S412 WeakPolarHBondContact CB-O 3.32Å; L213-S412 PolarHBondContact N-O 2.79Å
214G93.5Very high97.2Very high0 Ų028.9 Ų28.90%015%0.153CC..  trans-96.2-152.4177.300000112.9S412G214-S412 VanDerWaalsContact O-CA 3.27Å; G214-S412 WeakPolarHBondContact O-CA 3.23Å; G214-S412 WeakPolarHBondContact O-CB 3.41Å
215G93.8Very high97.1Very high7 Ų722.8 Ų22.87%0.07213%0.128CC..  trans142.4169.217800000110.1C217 E338G215-C217 PolarHBondContact O-N 2.97Å; G215-C217 VanDerWaalsContact O-N 3.14Å; G215-E338 PolarHBondContact N-OE1 3.3Å
216K97.9Very high97.1Very high16 Ų1622.2 Ų22.27%0.0713%0.13CC..  trans-85.493.4-176.7-57.9-178.868.766.10109.7P218 D250 Y251 L334 M335 D337 P365K216-P218 WeakPolarHBondContact O-CD 3.38Å; K216-D250 HydrophobicContact CB-CB 4.2Å; K216-D250 WeakPolarHBondContact CB-OD1 3.47Å; K216-D250 VanDerWaalsContact CE-OD1 3.27Å; K216-D250 WeakPolarHBondContact CE-OD1 3.46Å; K216-D250 WeakPolarHBondContact CG-OD1 3.29Å; K216-D250 IonicContact NZ-OD1 3.7Å; K216-D250 PolarHBondContact NZ-OD1 2.86Å; K216-Y251 HydrophobicContact CB-CD1 3.9Å; K216-Y251 HydrophobicContact CB-CE1 3.63Å; K216-Y251 WeakPolarHBondContact O-CE1 3.4Å; K216-L334 PolarHBondContact NZ-O 3.4Å; K216-M335 WeakPolarHBondContact CE-O 3.33Å; K216-D337 WeakPolarHBondContact CD-O 3.37Å; K216-D337 PolarHBondContact NZ-O 2.91Å; K216-P365 WeakPolarHBondContact O-CB 3.26Å
217C98.7Very high97Very high0 Ų015.8 Ų15.80%010%0.097CC..  trans-68.6109.2177.1-660000110.8G215 C246 A248 D250 A367 Y369G215-C217 PolarHBondContact O-N 2.97Å; G215-C217 VanDerWaalsContact O-N 3.14Å; C217-C246 PolarHBondContact SG-O 3.02Å; C217-A248 WeakPolarHBondContact CB-O 3.22Å; C217-D250 PolarHBondContact O-N 2.67Å; C217-A367 WeakPolarHBondContact CA-O 3.37Å; C217-A367 HydrophobicContact CB-CB 4.48Å; C217-A367 WeakPolarHBondContact CB-O 3.47Å; C217-A367 PolarHBondContact SG-N 3.09Å; C217-Y369 HydrophobicContact CB-CE2 4.12Å
218P98.8Very high96.9Very high1 Ų119.1 Ų19.11%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-71.3149.317928.2-35.4000112K216 Y251 L253 I359 P365 A367 V368 Y369K216-P218 WeakPolarHBondContact O-CD 3.38Å; P218-Y251 HydrophobicContact CB-CE1 3.99Å; P218-Y251 HydrophobicContact CB-CE2 3.88Å; P218-Y251 WeakPolarHBondContact CB-OH 3.41Å; P218-L253 HydrophobicContact CB-CD1 4.49Å; P218-I359 HydrophobicContact CB-CD1 3.78Å; P218-I359 HydrophobicContact CB-CG1 3.72Å; P218-I359 HydrophobicContact CG-CD1 3.67Å; P218-I359 HydrophobicContact CG-CG1 3.73Å; P218-I359 HydrophobicContact CG-CG2 4.15Å; P218-P365 HydrophobicContact CG-CG 4.46Å; P218-A367 WeakPolarHBondContact CD-O 3.41Å; P218-V368 HydrophobicContact CG-CB 4.23Å; P218-V368 HydrophobicContact CG-CG1 4.18Å; P218-V368 HydrophobicContact CG-CG2 3.77Å; P218-Y369 PolarHBondContact O-N 3.19Å
219V98.9Very high96.9Very high0 Ų019.8 Ų19.80%012%0.118CC..EExtended strand (participates in β ladder)trans-115.8124.9158.5-175.30000108.7I234 A249 Y251 L252 L253 Y369 F371V219-I234 HydrophobicContact CG1-CD1 3.72Å; V219-I234 HydrophobicContact CG1-CG1 3.91Å; V219-A249 HydrophobicContact CG2-CB 3.5Å; V219-Y251 PolarHBondContact N-O 2.99Å; V219-L252 HydrophobicContact CB-CD1 3.78Å; V219-L252 HydrophobicContact CG1-CD1 3.62Å; V219-L252 CarbonylContact O-C 3.49Å; V219-L252 WeakPolarHBondContact O-CA 3.25Å; V219-L253 PolarHBondContact O-N 2.82Å; V219-Y369 CarbonylContact C-O 3.59Å; V219-Y369 WeakPolarHBondContact CA-O 3.4Å; V219-Y369 HydrophobicContact CG2-CD2 3.85Å; V219-Y369 HydrophobicContact CG2-CG 4.42Å; V219-F371 HydrophobicContact CG1-CD2 3.6Å; V219-F371 HydrophobicContact CG1-CE2 3.64Å
220Y98.8Very high96.9Very high0 Ų019 Ų190%011%0.113CC..EExtended strand (participates in β ladder)trans-97.5134.7162.9174.9-106.6000109.8D222 L253 V349 P352 A355 Y369 V370 F371 V377 F381Y220-D222 HydrophobicContact CD1-CB 4.5Å; Y220-D222 HydrophobicContact CE1-CB 3.63Å; Y220-D222 PolarHBondContact OH-OD1 3.41Å; Y220-D222 VanDerWaalsContact OH-OD1 3.13Å; Y220-L253 CarbonylContact C-O 3.56Å; Y220-L253 WeakPolarHBondContact CA-O 3.3Å; Y220-L253 HydrophobicContact CD2-CB 4.21Å; Y220-V349 HydrophobicContact CD2-CG2 4.19Å; Y220-V349 HydrophobicContact CE2-CG2 3.78Å; Y220-P352 HydrophobicContact CE1-CG 4.32Å; Y220-P352 WeakPolarHBondContact OH-CD 3.45Å; Y220-P352 WeakPolarHBondContact OH-CG 3.33Å; Y220-A355 HydrophobicContact CD2-CB 3.42Å; Y220-A355 VanDerWaalsContact CD2-CB 3.42Å; Y220-A355 HydrophobicContact CE2-CB 3.87Å; Y220-A355 HydrophobicContact CG-CB 4.19Å; Y220-Y369 PolarHBondContact N-O 2.9Å; Y220-V370 HydrophobicContact CD1-CG1 3.97Å; Y220-F371 PolarHBondContact O-N 3.13Å; Y220-V377 HydrophobicContact CE1-CG1 4.14Å; Y220-F381 AromaticContact CD1-CE2 3.61Å; Y220-F381 HydrophobicContact CD1-CE2 3.61Å; Y220-F381 AromaticContact CD1-CZ 3.55Å; Y220-F381 HydrophobicContact CD1-CZ 3.55Å; Y220-F381 AromaticContact CD2-CZ 3.96Å; Y220-F381 HydrophobicContact CD2-CZ 3.96Å; Y220-F381 AromaticContact CE1-CE2 3.98Å; Y220-F381 HydrophobicContact CE1-CE2 3.98Å; Y220-F381 HydrophobicContact CE1-CZ 4.16Å; Y220-F381 HydrophobicContact CG-CE1 4.23Å; Y220-F381 HydrophobicContact CG-CE2 4.01Å; Y220-F381 AromaticContact CG-CZ 3.42Å; Y220-F381 HydrophobicContact CG-CZ 3.42Å; Y220-F381 VanDerWaalsContact CG-CZ 3.42Å
221I98.2Very high96.8Very high0 Ų018.9 Ų18.90%011%0.112CC..EExtended strand (participates in β ladder)trans-122.1115.6170.2-171.2172.5000110.5V225 L227 A230 I234 L252 L253 C254 H255 I258 F371I221-V225 HydrophobicContact CD1-CG2 3.95Å; I221-V225 HydrophobicContact CG1-CG2 3.73Å; I221-L227 HydrophobicContact CD1-CD1 3.59Å; I221-A230 HydrophobicContact CD1-CB 3.64Å; I221-A230 HydrophobicContact CG1-CB 4.42Å; I221-I234 HydrophobicContact CD1-CD1 4.44Å; I221-L252 HydrophobicContact CB-CD1 4.14Å; I221-L252 HydrophobicContact CG2-CD1 3.61Å; I221-L252 HydrophobicContact CG2-CD2 4.4Å; I221-L252 HydrophobicContact CG2-CG 4.17Å; I221-L253 PolarHBondContact N-O 3.25Å; I221-C254 HydrophobicContact CG2-CB 3.79Å; I221-H255 PolarHBondContact O-N 2.96Å; I221-I258 HydrophobicContact CB-CD1 4.22Å; I221-I258 HydrophobicContact CD1-CD1 3.73Å; I221-I258 HydrophobicContact CG1-CD1 3.64Å; I221-I258 HydrophobicContact CG2-CD1 3.71Å; I221-F371 HydrophobicContact CB-CB 4.33Å; I221-F371 HydrophobicContact CG1-CB 4.08Å
222D97.3Very high96.8Very high11 Ų1122.6 Ų22.66%0.05913%0.128CC..  trans-76.3168.5178.6-151.6-10.6000111.6Y220 D224 V225 H255 F371 T372Y220-D222 HydrophobicContact CD1-CB 4.5Å; Y220-D222 HydrophobicContact CE1-CB 3.63Å; Y220-D222 PolarHBondContact OH-OD1 3.41Å; Y220-D222 VanDerWaalsContact OH-OD1 3.13Å; D222-D224 VanDerWaalsContact C-N 3.31Å; D222-D224 PolarHBondContact O-N 2.83Å; D222-V225 HydrophobicContact CB-CG1 4.33Å; D222-H255 IonicContact OD1-CD2 2.73Å; D222-F371 VanDerWaalsContact CB-O 3.28Å; D222-F371 WeakPolarHBondContact CB-O 3.38Å; D222-F371 PolarHBondContact N-O 3.45Å; D222-T372 PolarHBondContact OD2-OG1 3.05Å
223S95.2Very high96.8Very high45 Ų4526.9 Ų26.932%0.31514%0.144SC..THydrogen-bonded Turntrans-76.1-16.2178.262.60000114.1
224D90.1Very high96.8Very high58 Ų5826.7 Ų26.731%0.3114%0.143SC..THydrogen-bonded Turntrans-103.227.6-170.576.6-14.2000114.4D222 T372 R373 N374D222-D224 VanDerWaalsContact C-N 3.31Å; D222-D224 PolarHBondContact O-N 2.83Å; D224-T372 PolarHBondContact OD1-OG1 3.3Å; D224-R373 WeakPolarHBondContact O-CD 3.49Å; D224-R373 WeakPolarHBondContact O-CG 3.41Å; D224-R373 PolarHBondContact OD1-N 3Å; D224-N374 PolarHBondContact OD2-N 2.74Å
225V95.1Very high97.1Very high23 Ų2326.9 Ų26.914%0.13914%0.144CC..SBendtrans-103.4164.1-174.6-59.60000113.7I221 D222 L227 A230 F371 T372I221-V225 HydrophobicContact CD1-CG2 3.95Å; I221-V225 HydrophobicContact CG1-CG2 3.73Å; D222-V225 HydrophobicContact CB-CG1 4.33Å; V225-L227 PolarHBondContact O-N 2.91Å; V225-L227 VanDerWaalsContact O-N 3.14Å; V225-A230 HydrophobicContact CG2-CB 4.31Å; V225-F371 VanDerWaalsContact CG1-C 3.45Å; V225-F371 HydrophobicContact CG1-CB 4.16Å; V225-F371 WeakPolarHBondContact CG1-O 3.31Å; V225-T372 VanDerWaalsContact CG1-CA 3.49Å
226S95.4Very high97.3Very high47 Ų4731.6 Ų31.633%0.32916%0.16SC..  trans-73.899.8158.8175.30000108D228 V229 A230S226-D228 VanDerWaalsContact C-N 3.31Å; S226-D228 PolarHBondContact O-N 3.48Å; S226-V229 PolarHBondContact O-N 3.28Å; S226-V229 WeakPolarHBondContact OG-CG2 3.43Å; S226-A230 PolarHBondContact O-N 3.45Å
227L95.9Very high97.3Very high24 Ų2430.9 Ų30.913%0.12616%0.157CC..Hα-helixtrans-58.9-42.5-175.2-174.460.8000111.8I221 V225 V229 A230 V231 I258 V261 L262 R265I221-L227 HydrophobicContact CD1-CD1 3.59Å; V225-L227 PolarHBondContact O-N 2.91Å; V225-L227 VanDerWaalsContact O-N 3.14Å; L227-V229 VanDerWaalsContact C-N 3.34Å; L227-V229 PolarHBondContact O-N 3.18Å; L227-A230 PolarHBondContact O-N 3.28Å; L227-V231 HydrophobicContact CD1-CG2 3.83Å; L227-V231 HydrophobicContact CG-CG2 4.09Å; L227-V231 WeakPolarHBondContact O-CB 3.4Å; L227-V231 VanDerWaalsContact O-CG2 3.31Å; L227-V231 WeakPolarHBondContact O-CG2 3.42Å; L227-V231 PolarHBondContact O-N 3.43Å; L227-I258 HydrophobicContact CD1-CD1 4.04Å; L227-V261 HydrophobicContact CD2-CB 4.37Å; L227-V261 HydrophobicContact CD2-CG2 3.5Å; L227-L262 HydrophobicContact CD1-CD1 3.97Å; L227-R265 HydrophobicContact CD2-CG 4.19Å
228D96.5Very high97.3Very high81 Ų8131.1 Ų31.143%0.43316%0.158SC..Hα-helixtrans-60.4-41.9-179.6-56.2-23.9000112.4S226 K232 R265S226-D228 VanDerWaalsContact C-N 3.31Å; S226-D228 PolarHBondContact O-N 3.48Å; D228-K232 WeakPolarHBondContact O-CB 3.42Å; D228-K232 VanDerWaalsContact O-CG 3.3Å; D228-K232 WeakPolarHBondContact O-CG 3.43Å; D228-K232 PolarHBondContact O-N 2.89Å; D228-K232 VanDerWaalsContact O-N 3.1Å; D228-R265 WeakPolarHBondContact OD1-CD 3.41Å; D228-R265 IonicContact OD1-NE 2.97Å; D228-R265 PolarHBondContact OD1-NE 2.95Å; D228-R265 VanDerWaalsContact OD1-NE 3.17Å
229V97.8Very high97.3Very high64 Ų6431.8 Ų31.839%0.38816%0.162SC..Hα-helixtrans-69.9-42.9177.5175.20000110.7S226 L227 K232 R233S226-V229 PolarHBondContact O-N 3.28Å; S226-V229 WeakPolarHBondContact OG-CG2 3.43Å; L227-V229 VanDerWaalsContact C-N 3.34Å; L227-V229 PolarHBondContact O-N 3.18Å; V229-K232 PolarHBondContact O-N 3.49Å; V229-R233 WeakPolarHBondContact O-CG 3.2Å; V229-R233 PolarHBondContact O-N 3.02Å; V229-R233 VanDerWaalsContact O-N 3.14Å
230A98.1Very high97.2Very high2 Ų232.9 Ų32.92%0.01717%0.168CC..Hα-helixtrans-61.6-50178.900000111.2I221 V225 S226 L227 K232 R233 I234 F371I221-A230 HydrophobicContact CD1-CB 3.64Å; I221-A230 HydrophobicContact CG1-CB 4.42Å; V225-A230 HydrophobicContact CG2-CB 4.31Å; S226-A230 PolarHBondContact O-N 3.45Å; L227-A230 PolarHBondContact O-N 3.28Å; A230-K232 PolarHBondContact O-N 3.42Å; A230-R233 PolarHBondContact O-N 3.25Å; A230-I234 WeakPolarHBondContact O-CB 3.48Å; A230-I234 WeakPolarHBondContact O-CD1 3.26Å; A230-I234 WeakPolarHBondContact O-CG1 3.27Å; A230-I234 PolarHBondContact O-N 3.01Å; A230-F371 HydrophobicContact CB-CB 4.39Å; A230-F371 HydrophobicContact CB-CD1 3.49Å; A230-F371 VanDerWaalsContact CB-CD1 3.49Å; A230-F371 HydrophobicContact CB-CE1 3.98Å; A230-F371 HydrophobicContact CB-CG 4.08Å
231V98.2Very high97.2Very high2 Ų232.9 Ų32.91%0.01217%0.168CC..Hα-helixtrans-60.2-46.3178.8172.60000111L227 R233 I234 I235 L262 R265 I266 T269L227-V231 HydrophobicContact CD1-CG2 3.83Å; L227-V231 HydrophobicContact CG-CG2 4.09Å; L227-V231 WeakPolarHBondContact O-CB 3.4Å; L227-V231 VanDerWaalsContact O-CG2 3.31Å; L227-V231 WeakPolarHBondContact O-CG2 3.42Å; L227-V231 PolarHBondContact O-N 3.43Å; V231-R233 VanDerWaalsContact C-N 3.32Å; V231-R233 PolarHBondContact O-N 3.43Å; V231-I234 PolarHBondContact O-N 3.01Å; V231-I235 HydrophobicContact CG1-CG1 3.9Å; V231-I235 WeakPolarHBondContact O-CB 3.49Å; V231-I235 VanDerWaalsContact O-CG1 3.24Å; V231-I235 WeakPolarHBondContact O-CG1 3.49Å; V231-I235 PolarHBondContact O-N 2.87Å; V231-L262 HydrophobicContact CG2-CD1 3.69Å; V231-R265 HydrophobicContact CG1-CB 4.42Å; V231-R265 HydrophobicContact CG2-CB 4.2Å; V231-I266 HydrophobicContact CG1-CB 4.35Å; V231-I266 HydrophobicContact CG1-CG1 3.75Å; V231-I266 HydrophobicContact CG2-CG1 4.42Å; V231-T269 HydrophobicContact CG1-CG2 4.41Å; V231-T269 WeakPolarHBondContact CG1-OG1 3.43Å
232K98.4Very high97.2Very high82 Ų8232.9 Ų32.936%0.35717%0.168SC..Hα-helixtrans-55.1-46.1176.5-79.6174.8177.7176.50112.8D228 V229 A230 Y236 T269 F273D228-K232 WeakPolarHBondContact O-CB 3.42Å; D228-K232 VanDerWaalsContact O-CG 3.3Å; D228-K232 WeakPolarHBondContact O-CG 3.43Å; D228-K232 PolarHBondContact O-N 2.89Å; D228-K232 VanDerWaalsContact O-N 3.1Å; V229-K232 PolarHBondContact O-N 3.49Å; A230-K232 PolarHBondContact O-N 3.42Å; K232-Y236 VanDerWaalsContact O-CB 3.22Å; K232-Y236 WeakPolarHBondContact O-CB 3.45Å; K232-Y236 PolarHBondContact O-N 3.14Å; K232-T269 HydrophobicContact CG-CG2 3.94Å; K232-F273 HydrophobicContact CB-CZ 4.21Å; K232-F273 HydrophobicContact CG-CZ 4.16Å
233R98.6Very high97.2Very high94 Ų9432.4 Ų32.436%0.35517%0.165SC..Hα-helixtrans-68-43.3-179.9-72.9172.2162.7163.45112.6V229 A230 V231 Y236 S237 F371 N393 D394V229-R233 WeakPolarHBondContact O-CG 3.2Å; V229-R233 PolarHBondContact O-N 3.02Å; V229-R233 VanDerWaalsContact O-N 3.14Å; A230-R233 PolarHBondContact O-N 3.25Å; V231-R233 VanDerWaalsContact C-N 3.32Å; V231-R233 PolarHBondContact O-N 3.43Å; R233-Y236 PolarHBondContact O-N 2.66Å; R233-S237 WeakPolarHBondContact O-CB 3.48Å; R233-S237 PolarHBondContact O-N 3.36Å; R233-F371 HydrophobicContact CB-CE1 4.06Å; R233-F371 HydrophobicContact CB-CZ 4Å; R233-N393 VanDerWaalsContact CD-O 3.23Å; R233-N393 WeakPolarHBondContact CD-O 3.38Å; R233-N393 PolarHBondContact NH1-O 3.31Å; R233-D394 VanDerWaalsContact CD-CG 3.48Å; R233-D394 WeakPolarHBondContact CD-OD1 3.41Å; R233-D394 WeakPolarHBondContact CG-OD1 3.4Å; R233-D394 IonicContact CZ-OD2 3.79Å; R233-D394 IonicContact NE-OD1 2.76Å; R233-D394 IonicContact NE-OD2 3.34Å; R233-D394 PolarHBondContact NE-OD2 3.3Å; R233-D394 IonicContact NH2-OD2 2.74Å
234I98.7Very high97.4Very high3 Ų330.3 Ų30.32%0.01515%0.15CC..Hα-helixtrans-64.9-47.8178.8-66.4164.8000110.3V219 I221 A230 V231 S237 K238 A249 L252 L344 F371V219-I234 HydrophobicContact CG1-CD1 3.72Å; V219-I234 HydrophobicContact CG1-CG1 3.91Å; I221-I234 HydrophobicContact CD1-CD1 4.44Å; A230-I234 WeakPolarHBondContact O-CB 3.48Å; A230-I234 WeakPolarHBondContact O-CD1 3.26Å; A230-I234 WeakPolarHBondContact O-CG1 3.27Å; A230-I234 PolarHBondContact O-N 3.01Å; V231-I234 PolarHBondContact O-N 3.01Å; I234-S237 PolarHBondContact O-N 3.46Å; I234-K238 WeakPolarHBondContact O-CB 3.47Å; I234-K238 PolarHBondContact O-N 3.28Å; I234-A249 HydrophobicContact CG2-CB 4.23Å; I234-L252 HydrophobicContact CD1-CD1 4.04Å; I234-L344 HydrophobicContact CG2-CD2 4.01Å; I234-F371 HydrophobicContact CD1-CD2 4.08Å; I234-F371 HydrophobicContact CD1-CE2 3.89Å; I234-F371 HydrophobicContact CD1-CZ 4.25Å; I234-F371 HydrophobicContact CG1-CD2 4.29Å; I234-F371 HydrophobicContact CG1-CE2 3.59Å; I234-F371 HydrophobicContact CG1-CZ 3.72Å
235I98.5Very high97.8Very high4 Ų428.3 Ų28.32%0.02114%0.14CC..Hα-helixtrans-67.1-39.3179.7-63.3-56.5000111V231 K238 L239 I266 T269 I270 F273 L344V231-I235 HydrophobicContact CG1-CG1 3.9Å; V231-I235 WeakPolarHBondContact O-CB 3.49Å; V231-I235 VanDerWaalsContact O-CG1 3.24Å; V231-I235 WeakPolarHBondContact O-CG1 3.49Å; V231-I235 PolarHBondContact O-N 2.87Å; I235-K238 PolarHBondContact O-N 2.95Å; I235-L239 HydrophobicContact CG2-CD1 3.51Å; I235-L239 HydrophobicContact CG2-CG 3.96Å; I235-L239 WeakPolarHBondContact O-CB 3.27Å; I235-L239 VanDerWaalsContact O-CG 3.26Å; I235-L239 WeakPolarHBondContact O-CG 3.49Å; I235-L239 PolarHBondContact O-N 3.39Å; I235-I266 HydrophobicContact CD1-CB 4.41Å; I235-I266 HydrophobicContact CD1-CG1 4.17Å; I235-I266 HydrophobicContact CD1-CG2 3.54Å; I235-I266 HydrophobicContact CG1-CG1 4.43Å; I235-I266 HydrophobicContact CG1-CG2 4.12Å; I235-T269 HydrophobicContact CB-CG2 3.9Å; I235-T269 HydrophobicContact CG1-CG2 4.24Å; I235-T269 HydrophobicContact CG2-CG2 3.94Å; I235-I270 HydrophobicContact CG2-CG1 3.91Å; I235-F273 HydrophobicContact CB-CE2 4.42Å; I235-F273 HydrophobicContact CG2-CD2 4.06Å; I235-F273 HydrophobicContact CG2-CE2 4.13Å; I235-L344 HydrophobicContact CD1-CD2 4.28Å
236Y98.2Very high97.9Very high107 Ų10728.1 Ų28.142%0.4214%0.139SC..Hα-helixtrans-58.4-50.9172.8177.7-99.9000111.6F62 K232 R233 K238 L239 L240F62-Y236 WeakPolarHBondContact CZ-OH 3.13Å; K232-Y236 VanDerWaalsContact O-CB 3.22Å; K232-Y236 WeakPolarHBondContact O-CB 3.45Å; K232-Y236 PolarHBondContact O-N 3.14Å; R233-Y236 PolarHBondContact O-N 2.66Å; Y236-K238 PolarHBondContact O-N 3.45Å; Y236-L239 PolarHBondContact O-N 3.15Å; Y236-L240 HydrophobicContact CE1-CD2 4.49Å; Y236-L240 WeakPolarHBondContact O-CB 3.48Å; Y236-L240 PolarHBondContact O-N 3.01Å
237S98.2Very high98Very high1 Ų126.1 Ų26.11%0.00713%0.125CC..Hα-helixtrans-57.3-37.8175.7174.50000112.6R233 I234 A249 S396R233-S237 WeakPolarHBondContact O-CB 3.48Å; R233-S237 PolarHBondContact O-N 3.36Å; I234-S237 PolarHBondContact O-N 3.46Å; S237-A249 PolarHBondContact OG-N 3.32Å; S237-A249 VanDerWaalsContact OG-N 3.08Å; S237-S396 PolarHBondContact OG-OG 3.4Å
238K98.5Very high98.1Very high4 Ų425.2 Ų25.22%0.01712%0.121CC..Hα-helixtrans-73.5-33.8-179.3-172.560.3175-176.60113.9I234 I235 Y236 G243 A249 D250 G341 I343 L344I234-K238 WeakPolarHBondContact O-CB 3.47Å; I234-K238 PolarHBondContact O-N 3.28Å; I235-K238 PolarHBondContact O-N 2.95Å; Y236-K238 PolarHBondContact O-N 3.45Å; K238-G243 WeakPolarHBondContact O-CA 3.42Å; K238-G243 PolarHBondContact O-N 3.3Å; K238-G243 VanDerWaalsContact O-N 3.1Å; K238-A249 WeakPolarHBondContact CD-O 3.49Å; K238-A249 PolarHBondContact NZ-O 3.24Å; K238-D250 PolarHBondContact NZ-O 2.86Å; K238-G341 WeakPolarHBondContact CE-O 3.2Å; K238-G341 PolarHBondContact NZ-O 3Å; K238-G341 VanDerWaalsContact NZ-O 3.16Å; K238-I343 WeakPolarHBondContact CE-O 3.31Å; K238-I343 PolarHBondContact NZ-O 2.85Å; K238-L344 HydrophobicContact CD-CB 4.35Å; K238-L344 HydrophobicContact CD-CD1 4.37Å; K238-L344 HydrophobicContact CG-CB 4.24Å
239L98.1Very high98.2Very high16 Ų1621.3 Ų21.38%0.08410%0.1CC..Hα-helixtrans-97.8-21.5-171.9-60.5-173.6000113.5I235 Y236 N241 C242 I270 L274 F284 P322 P342I235-L239 HydrophobicContact CG2-CD1 3.51Å; I235-L239 HydrophobicContact CG2-CG 3.96Å; I235-L239 WeakPolarHBondContact O-CB 3.27Å; I235-L239 VanDerWaalsContact O-CG 3.26Å; I235-L239 WeakPolarHBondContact O-CG 3.49Å; I235-L239 PolarHBondContact O-N 3.39Å; Y236-L239 PolarHBondContact O-N 3.15Å; L239-N241 PolarHBondContact O-N 3.22Å; L239-C242 WeakPolarHBondContact O-CA 3.37Å; L239-C242 PolarHBondContact O-N 3.09Å; L239-I270 HydrophobicContact CD1-CG1 4.25Å; L239-L274 HydrophobicContact CD1-CD1 3.94Å; L239-F284 HydrophobicContact CB-CE2 4.34Å; L239-F284 HydrophobicContact CD2-CE2 4.14Å; L239-P322 HydrophobicContact CD1-CB 4.21Å; L239-P322 HydrophobicContact CD1-CG 4.13Å; L239-P322 HydrophobicContact CD2-CB 3.73Å; L239-P322 HydrophobicContact CD2-CG 3.91Å; L239-P342 HydrophobicContact CD2-CB 4.38Å
240L97.6Very high98.2Very high23 Ų2318.6 Ų18.612%0.128%0.083CC..G310 helixtrans-50.7128.5170.7-173.970000109.5E59 F62 Y236 C242 G243 I245E59-L240 HydrophobicContact CG-CD1 3.74Å; E59-L240 WeakPolarHBondContact OE2-CD1 3.17Å; F62-L240 HydrophobicContact CE1-CD1 4.47Å; F62-L240 HydrophobicContact CZ-CD1 3.77Å; Y236-L240 HydrophobicContact CE1-CD2 4.49Å; Y236-L240 WeakPolarHBondContact O-CB 3.48Å; Y236-L240 PolarHBondContact O-N 3.01Å; L240-C242 PolarHBondContact O-N 3.12Å; L240-C242 VanDerWaalsContact O-N 3.13Å; L240-G243 PolarHBondContact O-N 3.06Å; L240-I245 HydrophobicContact CB-CD1 3.78Å; L240-I245 HydrophobicContact CD2-CD1 3.59Å; L240-I245 HydrophobicContact CG-CD1 3.66Å; L240-I245 WeakPolarHBondContact O-CD1 3.48Å
241N98Very high98.2Very high0 Ų018.6 Ų18.60%08%0.083CC..G310 helixtrans50.432.8-174.1-165.436.2000115.2R55 E59 N116 F117 L239 G243 Q244 I245R55-N241 PolarHBondContact NH2-ND2 3.34Å; R55-N241 PolarHBondContact NH2-OD1 3.49Å; E59-N241 VanDerWaalsContact OE1-CA 3.25Å; E59-N241 WeakPolarHBondContact OE1-CA 3.24Å; E59-N241 WeakPolarHBondContact OE1-CB 3.48Å; E59-N241 PolarHBondContact OE1-N 2.91Å; E59-N241 PolarHBondContact OE2-N 3.39Å; E59-N241 VanDerWaalsContact OE2-N 3.15Å; N116-N241 PolarHBondContact O-ND2 3.19Å; N116-N241 VanDerWaalsContact O-ND2 3.1Å; F117-N241 HydrophobicContact CE2-CB 4.43Å; F117-N241 HydrophobicContact CZ-CB 3.87Å; L239-N241 PolarHBondContact O-N 3.22Å; N241-G243 PolarHBondContact O-N 2.89Å; N241-Q244 PolarHBondContact ND2-O 2.87Å; N241-Q244 VanDerWaalsContact ND2-O 3.15Å; N241-Q244 WeakPolarHBondContact O-CB 3.16Å; N241-Q244 PolarHBondContact O-N 3.01Å; N241-Q244 VanDerWaalsContact O-N 3.13Å; N241-Q244 PolarHBondContact O-NE2 2.99Å; N241-Q244 VanDerWaalsContact O-NE2 3.11Å; N241-I245 HydrophobicContact CB-CD1 4.18Å; N241-I245 HydrophobicContact CB-CG1 4.09Å
242C98.3Very high98.3Very high0 Ų018.6 Ų18.60%08%0.083CC..G310 helixtrans57.130.5-174.8-155.70000112.7L239 L240 Q244 F284 A285 I287 G341 P342L239-C242 WeakPolarHBondContact O-CA 3.37Å; L239-C242 PolarHBondContact O-N 3.09Å; L240-C242 PolarHBondContact O-N 3.12Å; L240-C242 VanDerWaalsContact O-N 3.13Å; C242-Q244 VanDerWaalsContact C-N 3.25Å; C242-Q244 PolarHBondContact O-N 2.88Å; C242-F284 HydrophobicContact CB-CE2 4.37Å; C242-F284 HydrophobicContact CB-CZ 4.48Å; C242-F284 VanDerWaalsContact SG-CZ 3.54Å; C242-A285 HydrophobicContact CB-CB 4.08Å; C242-I287 HydrophobicContact CB-CD1 4.49Å; C242-G341 CarbonylContact O-C 3.51Å; C242-G341 VanDerWaalsContact O-CA 3.25Å; C242-G341 WeakPolarHBondContact O-CA 3.35Å; C242-P342 VanDerWaalsContact O-CD 3.27Å; C242-P342 WeakPolarHBondContact O-CD 3.49Å; C242-P342 VanDerWaalsContact SG-CG 3.6Å
243G98.3Very high98.3Very high1 Ų114.7 Ų14.71%0.017%0.066CC..G310 helixtrans73.79.9-179.800000115.1K238 L240 N241 I245 F340 G341K238-G243 WeakPolarHBondContact O-CA 3.42Å; K238-G243 PolarHBondContact O-N 3.3Å; K238-G243 VanDerWaalsContact O-N 3.1Å; L240-G243 PolarHBondContact O-N 3.06Å; N241-G243 PolarHBondContact O-N 2.89Å; G243-I245 PolarHBondContact O-N 2.69Å; G243-F340 CarbonylContact O-C 3.52Å; G243-G341 PolarHBondContact O-N 2.95Å; G243-G341 VanDerWaalsContact O-N 3.17Å
244Q98.6Very high98.2Very high0 Ų010.2 Ų10.20%05%0.049CC..  trans-83.860.7179.5-60.2170.5117.900110.3W115 N116 N241 C242 R286 F340W115-Q244 HydrophobicContact CH2-CB 3.85Å; W115-Q244 HydrophobicContact CH2-CG 3.94Å; W115-Q244 HydrophobicContact CZ3-CB 3.84Å; W115-Q244 HydrophobicContact CZ3-CG 4.1Å; N116-Q244 VanDerWaalsContact CB-O 3.24Å; N116-Q244 WeakPolarHBondContact CB-O 3.5Å; N116-Q244 PolarHBondContact ND2-O 3.01Å; N241-Q244 PolarHBondContact ND2-O 2.87Å; N241-Q244 VanDerWaalsContact ND2-O 3.15Å; N241-Q244 WeakPolarHBondContact O-CB 3.16Å; N241-Q244 PolarHBondContact O-N 3.01Å; N241-Q244 VanDerWaalsContact O-N 3.13Å; N241-Q244 PolarHBondContact O-NE2 2.99Å; N241-Q244 VanDerWaalsContact O-NE2 3.11Å; C242-Q244 VanDerWaalsContact C-N 3.25Å; C242-Q244 PolarHBondContact O-N 2.88Å; Q244-R286 PolarHBondContact NE2-O 3.28Å; Q244-F340 HydrophobicContact CB-CD1 3.81Å; Q244-F340 HydrophobicContact CB-CE1 3.74Å; Q244-F340 HydrophobicContact CG-CD1 4.22Å
245I97.9Very high98.1Very high17 Ų1710.9 Ų10.99%0.0875%0.052CC..  trans-139.2130.9-175.3-39.9-172.1000109.4F117 L240 N241 G243 V247 A248 F340F117-I245 HydrophobicContact CE2-CB 4.19Å; F117-I245 HydrophobicContact CE2-CD1 4.03Å; F117-I245 HydrophobicContact CE2-CG1 3.72Å; F117-I245 HydrophobicContact CE2-CG2 3.89Å; F117-I245 HydrophobicContact CZ-CD1 3.71Å; F117-I245 HydrophobicContact CZ-CG1 3.9Å; F117-I245 HydrophobicContact CZ-CG2 4.45Å; L240-I245 HydrophobicContact CB-CD1 3.78Å; L240-I245 HydrophobicContact CD2-CD1 3.59Å; L240-I245 HydrophobicContact CG-CD1 3.66Å; L240-I245 WeakPolarHBondContact O-CD1 3.48Å; N241-I245 HydrophobicContact CB-CD1 4.18Å; N241-I245 HydrophobicContact CB-CG1 4.09Å; G243-I245 PolarHBondContact O-N 2.69Å; I245-V247 HydrophobicContact CG2-CG2 3.68Å; I245-V247 PolarHBondContact O-N 2.92Å; I245-V247 VanDerWaalsContact O-N 3.09Å; I245-A248 HydrophobicContact CB-CB 3.94Å; I245-A248 WeakPolarHBondContact O-CB 3.22Å; I245-A248 PolarHBondContact O-N 3.21Å; I245-F340 VanDerWaalsContact C-CE2 3.47Å
246C97.5Very high98Very high18 Ų1815.1 Ų15.112%0.1227%0.072CC..THydrogen-bonded Turntrans-61.5-22.2-179.2-49.40000113.5C217 L366C217-C246 PolarHBondContact SG-O 3.02Å; C246-L366 HydrophobicContact CB-CD2 3.66Å
247V97.8Very high97.9Very high5 Ų517 Ų173%0.038%0.082CC..THydrogen-bonded Turntrans-108.910.7177.5-61.60000113I245 L366 Y369 S396 T399 F406I245-V247 HydrophobicContact CG2-CG2 3.68Å; I245-V247 PolarHBondContact O-N 2.92Å; I245-V247 VanDerWaalsContact O-N 3.09Å; V247-L366 HydrophobicContact CG1-CB 4.37Å; V247-L366 HydrophobicContact CG1-CD2 3.5Å; V247-L366 HydrophobicContact CG1-CG 3.79Å; V247-Y369 WeakPolarHBondContact O-CE2 3.37Å; V247-Y369 PolarHBondContact O-OH 3.31Å; V247-S396 PolarHBondContact O-OG 3.41Å; V247-T399 HydrophobicContact CG1-CG2 4.36Å; V247-T399 HydrophobicContact CG2-CG2 3.67Å; V247-F406 HydrophobicContact CG1-CE2 3.94Å; V247-F406 HydrophobicContact CG1-CZ 4.1Å
248A97.9Very high97.7Very high5 Ų517.9 Ų17.94%0.0419%0.087CC..SBendtrans-62.5152.7172.900000110.1C217 I245 D250C217-A248 WeakPolarHBondContact CB-O 3.22Å; I245-A248 HydrophobicContact CB-CB 3.94Å; I245-A248 WeakPolarHBondContact O-CB 3.22Å; I245-A248 PolarHBondContact O-N 3.21Å; A248-D250 PolarHBondContact O-N 2.78Å
249A98.4Very high97.4Very high0 Ų019.5 Ų19.50%010%0.095CC..  trans-54.7108164.200000109.5V219 I234 S237 K238V219-A249 HydrophobicContact CG2-CB 3.5Å; I234-A249 HydrophobicContact CG2-CB 4.23Å; S237-A249 PolarHBondContact OG-N 3.32Å; S237-A249 VanDerWaalsContact OG-N 3.08Å; K238-A249 WeakPolarHBondContact CD-O 3.49Å; K238-A249 PolarHBondContact NZ-O 3.24Å
250D98.7Very high97Very high6 Ų624 Ų243%0.03213%0.125CC..  trans-84.1-48.7-176.9-170.5-92.5000110.1K216 C217 K238 A248 I339 P345K216-D250 HydrophobicContact CB-CB 4.2Å; K216-D250 WeakPolarHBondContact CB-OD1 3.47Å; K216-D250 VanDerWaalsContact CE-OD1 3.27Å; K216-D250 WeakPolarHBondContact CE-OD1 3.46Å; K216-D250 WeakPolarHBondContact CG-OD1 3.29Å; K216-D250 IonicContact NZ-OD1 3.7Å; K216-D250 PolarHBondContact NZ-OD1 2.86Å; C217-D250 PolarHBondContact O-N 2.67Å; K238-D250 PolarHBondContact NZ-O 2.86Å; A248-D250 PolarHBondContact O-N 2.78Å; D250-I339 WeakPolarHBondContact O-CD1 3.46Å; D250-I339 WeakPolarHBondContact OD2-CB 3.33Å; D250-I339 PolarHBondContact OD2-N 3.24Å; D250-P345 WeakPolarHBondContact O-CD 3.45Å
251Y98.8Very high96.9Very high2 Ų225.9 Ų25.91%0.00814%0.138CC..EExtended strand (participates in β ladder)trans-142.4156176.366.1-83.1000112.2K216 P218 V219 L253 M335 L347K216-Y251 HydrophobicContact CB-CD1 3.9Å; K216-Y251 HydrophobicContact CB-CE1 3.63Å; K216-Y251 WeakPolarHBondContact O-CE1 3.4Å; P218-Y251 HydrophobicContact CB-CE1 3.99Å; P218-Y251 HydrophobicContact CB-CE2 3.88Å; P218-Y251 WeakPolarHBondContact CB-OH 3.41Å; V219-Y251 PolarHBondContact N-O 2.99Å; Y251-L253 HydrophobicContact CD2-CD2 4.28Å; Y251-L253 HydrophobicContact CD2-CG 4.02Å; Y251-L253 HydrophobicContact CE2-CD1 3.83Å; Y251-L253 HydrophobicContact CE2-CD2 4.02Å; Y251-L253 HydrophobicContact CE2-CG 3.74Å; Y251-M335 HydrophobicContact CD1-CE 4.15Å; Y251-M335 HydrophobicContact CD1-SD 4.37Å; Y251-M335 HydrophobicContact CD2-CE 3.61Å; Y251-M335 HydrophobicContact CD2-SD 4.19Å; Y251-M335 HydrophobicContact CE1-CE 4.31Å; Y251-M335 HydrophobicContact CE2-CE 3.76Å; Y251-M335 HydrophobicContact CG-CE 3.78Å; Y251-M335 HydrophobicContact CG-SD 3.89Å; Y251-L347 HydrophobicContact CD2-CD1 4.07Å
252L98.7Very high96.8Very high2 Ų226 Ų261%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-113.8119-177.7-17961.6000111.1V219 I221 I234 C254 L262 L344 P345 V346 L347V219-L252 HydrophobicContact CB-CD1 3.78Å; V219-L252 HydrophobicContact CG1-CD1 3.62Å; V219-L252 CarbonylContact O-C 3.49Å; V219-L252 WeakPolarHBondContact O-CA 3.25Å; I221-L252 HydrophobicContact CB-CD1 4.14Å; I221-L252 HydrophobicContact CG2-CD1 3.61Å; I221-L252 HydrophobicContact CG2-CD2 4.4Å; I221-L252 HydrophobicContact CG2-CG 4.17Å; I234-L252 HydrophobicContact CD1-CD1 4.04Å; L252-C254 HydrophobicContact CG-CB 4.34Å; L252-L262 HydrophobicContact CD2-CD2 3.8Å; L252-L344 HydrophobicContact CB-CD1 4.27Å; L252-L344 HydrophobicContact CB-CD2 4.5Å; L252-L344 HydrophobicContact CB-CG 4.41Å; L252-P345 PolarHBondContact N-O 2.78Å; L252-V346 HydrophobicContact CB-CG2 4.31Å; L252-V346 HydrophobicContact CD2-CG1 4.39Å; L252-V346 HydrophobicContact CD2-CG2 4.26Å; L252-V346 WeakPolarHBondContact O-CA 3.38Å; L252-L347 PolarHBondContact O-N 3.01Å
253L98.6Very high96.6Very high0 Ų028.9 Ų28.90%015%0.15CC..EExtended strand (participates in β ladder)trans-92.7109.5167.4-61.5166.2000107.9P218 V219 Y220 I221 Y251 L347 V349 A355 I358 I359P218-L253 HydrophobicContact CB-CD1 4.49Å; V219-L253 PolarHBondContact O-N 2.82Å; Y220-L253 CarbonylContact C-O 3.56Å; Y220-L253 WeakPolarHBondContact CA-O 3.3Å; Y220-L253 HydrophobicContact CD2-CB 4.21Å; I221-L253 PolarHBondContact N-O 3.25Å; Y251-L253 HydrophobicContact CD2-CD2 4.28Å; Y251-L253 HydrophobicContact CD2-CG 4.02Å; Y251-L253 HydrophobicContact CE2-CD1 3.83Å; Y251-L253 HydrophobicContact CE2-CD2 4.02Å; Y251-L253 HydrophobicContact CE2-CG 3.74Å; L253-L347 HydrophobicContact CD2-CB 4.01Å; L253-V349 HydrophobicContact CB-CG1 4.22Å; L253-V349 HydrophobicContact CB-CG2 4.37Å; L253-V349 HydrophobicContact CD2-CG1 3.85Å; L253-A355 HydrophobicContact CB-CB 4.26Å; L253-A355 HydrophobicContact CD1-CB 3.83Å; L253-I358 HydrophobicContact CD2-CB 4.24Å; L253-I358 HydrophobicContact CD2-CD1 3.75Å; L253-I358 HydrophobicContact CD2-CG2 3.96Å; L253-I359 HydrophobicContact CD1-CD1 4.07Å; L253-I359 HydrophobicContact CD1-CG1 3.83Å
254C97.2Very high96.5Very high0 Ų033.3 Ų33.30%017%0.171CC..EExtended strand (participates in β ladder)trans-114128.5-170.4-175.50000111.3I221 L252 E256 I258 L259 L262 V346 L347 S348 V349I221-C254 HydrophobicContact CG2-CB 3.79Å; L252-C254 HydrophobicContact CG-CB 4.34Å; C254-E256 PolarHBondContact O-N 3.05Å; C254-I258 VanDerWaalsContact SG-CD1 3.5Å; C254-I258 WeakPolarHBondContact SG-CG1 3.48Å; C254-L259 HydrophobicContact CB-CD2 3.89Å; C254-L259 HydrophobicContact CB-CG 4.46Å; C254-L262 HydrophobicContact CB-CD2 4.29Å; C254-V346 HydrophobicContact CB-CG1 4.08Å; C254-L347 PolarHBondContact N-O 3.09Å; C254-S348 WeakPolarHBondContact O-CA 3.42Å; C254-V349 PolarHBondContact O-N 2.85Å
255H97.1Very high96.4Very high18 Ų1836.5 Ų36.58%0.08318%0.183CC..EExtended strand (participates in β ladder)trans-60.6127.9171.9-167-37000110I221 D222 K257 I258 V349I221-H255 PolarHBondContact O-N 2.96Å; D222-H255 IonicContact OD1-CD2 2.73Å; H255-K257 PolarHBondContact ND1-N 2.84Å; H255-K257 PolarHBondContact O-N 3.12Å; H255-I258 WeakPolarHBondContact O-CG1 3.48Å; H255-I258 PolarHBondContact O-N 2.94Å; H255-V349 WeakPolarHBondContact CA-O 3.45Å
256E95.5Very high96.4Very high92 Ų9235.8 Ų35.843%0.4318%0.179SC..THydrogen-bonded Turntrans-48.6-29.6-174.865.4-175.2-175.800115.6C254 I258 L259 V349C254-E256 PolarHBondContact O-N 3.05Å; E256-I258 VanDerWaalsContact C-N 3.28Å; E256-I258 PolarHBondContact O-N 2.65Å; E256-L259 PolarHBondContact O-N 3.04Å; E256-V349 PolarHBondContact N-O 3.39Å; E256-V349 VanDerWaalsContact N-O 3.11Å
257K95.4Very high96.4Very high148 Ų14838.3 Ų38.364%0.64319%0.189SC*.THydrogen-bonded Turntrans-64.8-27.5-178.3-74.2179.7177.6173.30114.1H255H255-K257 PolarHBondContact ND1-N 2.84Å; H255-K257 PolarHBondContact O-N 3.12Å
258I94.5Very high96.4Very high19 Ų1942.6 Ų42.610%0.09721%0.209CC..THydrogen-bonded Turntrans-102.3-8.9-176.855158.6000112.7I221 L227 C254 H255 E256 P260 V261 L262I221-I258 HydrophobicContact CB-CD1 4.22Å; I221-I258 HydrophobicContact CD1-CD1 3.73Å; I221-I258 HydrophobicContact CG1-CD1 3.64Å; I221-I258 HydrophobicContact CG2-CD1 3.71Å; L227-I258 HydrophobicContact CD1-CD1 4.04Å; C254-I258 VanDerWaalsContact SG-CD1 3.5Å; C254-I258 WeakPolarHBondContact SG-CG1 3.48Å; H255-I258 WeakPolarHBondContact O-CG1 3.48Å; H255-I258 PolarHBondContact O-N 2.94Å; E256-I258 VanDerWaalsContact C-N 3.28Å; E256-I258 PolarHBondContact O-N 2.65Å; I258-P260 VanDerWaalsContact C-CD 3.4Å; I258-V261 VanDerWaalsContact O-CG2 3.26Å; I258-V261 WeakPolarHBondContact O-CG2 3.49Å; I258-V261 PolarHBondContact O-N 2.87Å; I258-L262 WeakPolarHBondContact O-CB 3.23Å; I258-L262 PolarHBondContact O-N 2.97Å
259L91.7Very high96.4Very high38 Ų3842.6 Ų42.620%0.19921%0.209CC..Hα-helixtrans-52.4-43.1176.9-77.6174.9000114.4C254 E256 V261 L262 F326 V346 S348C254-L259 HydrophobicContact CB-CD2 3.89Å; C254-L259 HydrophobicContact CB-CG 4.46Å; E256-L259 PolarHBondContact O-N 3.04Å; L259-V261 PolarHBondContact O-N 2.96Å; L259-V261 VanDerWaalsContact O-N 3.17Å; L259-L262 HydrophobicContact CD2-CD2 4.25Å; L259-L262 PolarHBondContact O-N 2.94Å; L259-F326 HydrophobicContact CD2-CD1 4.39Å; L259-F326 HydrophobicContact CD2-CE1 4.34Å; L259-V346 HydrophobicContact CD2-CG1 3.9Å; L259-S348 VanDerWaalsContact CD1-CB 3.47Å; L259-S348 WeakPolarHBondContact CD1-OG 3.2Å
260P91Very high96.4Very high109 Ų10943.3 Ų43.371%0.70821%0.212SC*.Hα-helixtrans-59.4-31.6-176.4-26.536.2000114I258I258-P260 VanDerWaalsContact C-CD 3.4Å
261V94.5Very high96.4Very high64 Ų6448.6 Ų48.639%0.38824%0.235SC..Hα-helixtrans-101.4-12.7-178.4-66.10000113.1L227 I258 L259 K263 R265L227-V261 HydrophobicContact CD2-CB 4.37Å; L227-V261 HydrophobicContact CD2-CG2 3.5Å; I258-V261 VanDerWaalsContact O-CG2 3.26Å; I258-V261 WeakPolarHBondContact O-CG2 3.49Å; I258-V261 PolarHBondContact O-N 2.87Å; L259-V261 PolarHBondContact O-N 2.96Å; L259-V261 VanDerWaalsContact O-N 3.17Å; V261-K263 PolarHBondContact O-N 3.48Å; V261-R265 WeakPolarHBondContact O-CG 3.26Å; V261-R265 PolarHBondContact O-N 2.9Å
262L96.1Very high96.4Very high1 Ų154.5 Ų54.51%0.00526%0.263CS..Hα-helixtrans-63.7-43-175.8-178.967.9000112.1L227 V231 L252 C254 I258 L259 E264 R265 I266 F326 V346L227-L262 HydrophobicContact CD1-CD1 3.97Å; V231-L262 HydrophobicContact CG2-CD1 3.69Å; L252-L262 HydrophobicContact CD2-CD2 3.8Å; C254-L262 HydrophobicContact CB-CD2 4.29Å; I258-L262 WeakPolarHBondContact O-CB 3.23Å; I258-L262 PolarHBondContact O-N 2.97Å; L259-L262 HydrophobicContact CD2-CD2 4.25Å; L259-L262 PolarHBondContact O-N 2.94Å; L262-E264 PolarHBondContact O-N 2.75Å; L262-R265 PolarHBondContact O-N 2.69Å; L262-I266 HydrophobicContact CD1-CD1 3.95Å; L262-I266 HydrophobicContact CD1-CG1 4.21Å; L262-I266 HydrophobicContact CD2-CD1 4.21Å; L262-I266 HydrophobicContact CG-CD1 3.69Å; L262-I266 HydrophobicContact CG-CG1 4.32Å; L262-I266 VanDerWaalsContact O-CG1 3.31Å; L262-I266 WeakPolarHBondContact O-CG1 3.07Å; L262-I266 PolarHBondContact O-N 2.9Å; L262-F326 HydrophobicContact CD2-CE1 4.14Å; L262-F326 HydrophobicContact CD2-CZ 4.47Å; L262-V346 HydrophobicContact CD2-CG1 4.05Å
263K94.7Very high96.3Very high61 Ų6157.7 Ų57.727%0.26528%0.277SS..Hα-helixtrans-56.6-53.5-179.1178.6-175.4177.5-74.10111.4V261 R265 I266 E267 M308 V309 F326V261-K263 PolarHBondContact O-N 3.48Å; K263-R265 VanDerWaalsContact C-N 3.33Å; K263-R265 PolarHBondContact O-N 3.25Å; K263-I266 PolarHBondContact O-N 3.29Å; K263-E267 IonicContact NZ-OE1 3.14Å; K263-E267 PolarHBondContact NZ-OE1 3.14Å; K263-E267 IonicContact NZ-OE2 2.63Å; K263-E267 PolarHBondContact NZ-OE2 3.04Å; K263-E267 PolarHBondContact O-N 2.95Å; K263-M308 HydrophobicContact CD-CB 4.13Å; K263-M308 HydrophobicContact CD-CE 4.07Å; K263-M308 WeakPolarHBondContact CE-O 3.49Å; K263-V309 HydrophobicContact CG-CG2 4.06Å; K263-F326 HydrophobicContact CB-CE2 4.34Å; K263-F326 HydrophobicContact CB-CZ 3.89Å; K263-F326 HydrophobicContact CG-CE2 4.45Å; K263-F326 HydrophobicContact CG-CZ 4.48Å
264E95.8Very high96.3Very high94 Ų9458.6 Ų58.644%0.43928%0.281SS..Hα-helixtrans-56.6-48-178.8-175.8-171.213900110.7L262 I266 E267 E268L262-E264 PolarHBondContact O-N 2.75Å; E264-I266 VanDerWaalsContact C-N 3.33Å; E264-I266 PolarHBondContact O-N 3.04Å; E264-E267 PolarHBondContact O-N 2.61Å; E264-E268 WeakPolarHBondContact O-CG 3.15Å; E264-E268 PolarHBondContact O-N 3.06Å
265R97.4Very high96.3Very high67 Ų6760.3 Ų60.325%0.25330%0.299SS..Hα-helixtrans-64.5-35.4179.7-67.8-65.9177-90.5-13.7113.4L227 D228 V231 V261 L262 K263 E268 T269L227-R265 HydrophobicContact CD2-CG 4.19Å; D228-R265 WeakPolarHBondContact OD1-CD 3.41Å; D228-R265 IonicContact OD1-NE 2.97Å; D228-R265 PolarHBondContact OD1-NE 2.95Å; D228-R265 VanDerWaalsContact OD1-NE 3.17Å; V231-R265 HydrophobicContact CG1-CB 4.42Å; V231-R265 HydrophobicContact CG2-CB 4.2Å; V261-R265 WeakPolarHBondContact O-CG 3.26Å; V261-R265 PolarHBondContact O-N 2.9Å; L262-R265 PolarHBondContact O-N 2.69Å; K263-R265 VanDerWaalsContact C-N 3.33Å; K263-R265 PolarHBondContact O-N 3.25Å; R265-E268 WeakPolarHBondContact CD-OE2 3.48Å; R265-E268 IonicContact CZ-OE2 3.93Å; R265-E268 IonicContact NE-OE2 3.13Å; R265-E268 IonicContact NH1-OE1 3.72Å; R265-E268 PolarHBondContact NH1-OE1 2.89Å; R265-E268 IonicContact NH1-OE2 2.76Å; R265-E268 PolarHBondContact NH1-OE2 2.99Å; R265-T269 VanDerWaalsContact O-CB 3.31Å; R265-T269 WeakPolarHBondContact O-CB 3.45Å; R265-T269 PolarHBondContact O-N 3.43Å; R265-T269 PolarHBondContact O-OG1 2.9Å
266I97.9Very high96.3Very high2 Ų265.6 Ų65.61%0.0133%0.328CS..Hα-helixtrans-67-46.8174.6-68.1168.3000110.5V231 I235 L262 K263 E264 E268 T269 I270 V324 F326V231-I266 HydrophobicContact CG1-CB 4.35Å; V231-I266 HydrophobicContact CG1-CG1 3.75Å; V231-I266 HydrophobicContact CG2-CG1 4.42Å; I235-I266 HydrophobicContact CD1-CB 4.41Å; I235-I266 HydrophobicContact CD1-CG1 4.17Å; I235-I266 HydrophobicContact CD1-CG2 3.54Å; I235-I266 HydrophobicContact CG1-CG1 4.43Å; I235-I266 HydrophobicContact CG1-CG2 4.12Å; L262-I266 HydrophobicContact CD1-CD1 3.95Å; L262-I266 HydrophobicContact CD1-CG1 4.21Å; L262-I266 HydrophobicContact CD2-CD1 4.21Å; L262-I266 HydrophobicContact CG-CD1 3.69Å; L262-I266 HydrophobicContact CG-CG1 4.32Å; L262-I266 VanDerWaalsContact O-CG1 3.31Å; L262-I266 WeakPolarHBondContact O-CG1 3.07Å; L262-I266 PolarHBondContact O-N 2.9Å; K263-I266 PolarHBondContact O-N 3.29Å; E264-I266 VanDerWaalsContact C-N 3.33Å; E264-I266 PolarHBondContact O-N 3.04Å; I266-E268 PolarHBondContact O-N 3.27Å; I266-T269 PolarHBondContact O-N 2.88Å; I266-I270 HydrophobicContact CG2-CD1 3.56Å; I266-I270 HydrophobicContact CG2-CG1 4.24Å; I266-I270 WeakPolarHBondContact O-CG1 3.42Å; I266-I270 PolarHBondContact O-N 3.37Å; I266-V324 HydrophobicContact CD1-CG1 4.23Å; I266-V324 HydrophobicContact CG2-CG2 3.67Å; I266-F326 HydrophobicContact CD1-CZ 4.36Å
267E97Very high96.4Very high71 Ų7164 Ų6433%0.33232%0.322SS..Hα-helixtrans-59.3-46.6177.9-73.4175.5141.100111.8K263 E264 T269 I270 K271 V309K263-E267 IonicContact NZ-OE1 3.14Å; K263-E267 PolarHBondContact NZ-OE1 3.14Å; K263-E267 IonicContact NZ-OE2 2.63Å; K263-E267 PolarHBondContact NZ-OE2 3.04Å; K263-E267 PolarHBondContact O-N 2.95Å; E264-E267 PolarHBondContact O-N 2.61Å; E267-T269 VanDerWaalsContact C-N 3.31Å; E267-T269 PolarHBondContact O-N 2.83Å; E267-I270 PolarHBondContact O-N 3.01Å; E267-K271 WeakPolarHBondContact O-CB 3.37Å; E267-K271 PolarHBondContact O-N 2.92Å; E267-V309 HydrophobicContact CG-CB 4.31Å; E267-V309 HydrophobicContact CG-CG1 3.83Å; E267-V309 HydrophobicContact CG-CG2 3.57Å
268E97.8Very high96.5Very high95 Ų9557.8 Ų57.844%0.44430%0.297SS..Hα-helixtrans-59-42.8175.9-73176.1158.600111.9E264 R265 I266 K271 Q272E264-E268 WeakPolarHBondContact O-CG 3.15Å; E264-E268 PolarHBondContact O-N 3.06Å; R265-E268 WeakPolarHBondContact CD-OE2 3.48Å; R265-E268 IonicContact CZ-OE2 3.93Å; R265-E268 IonicContact NE-OE2 3.13Å; R265-E268 IonicContact NH1-OE1 3.72Å; R265-E268 PolarHBondContact NH1-OE1 2.89Å; R265-E268 IonicContact NH1-OE2 2.76Å; R265-E268 PolarHBondContact NH1-OE2 2.99Å; I266-E268 PolarHBondContact O-N 3.27Å; E268-K271 PolarHBondContact O-N 2.87Å; E268-Q272 WeakPolarHBondContact O-CB 3.42Å; E268-Q272 PolarHBondContact O-N 3.15Å
269T98.4Very high96.7Very high6 Ų659.5 Ų59.54%0.03730%0.304CS..Hα-helixtrans-67.3-43.7179.4-62.30000111.7V231 K232 I235 R265 I266 E267 K271 Q272 F273V231-T269 HydrophobicContact CG1-CG2 4.41Å; V231-T269 WeakPolarHBondContact CG1-OG1 3.43Å; K232-T269 HydrophobicContact CG-CG2 3.94Å; I235-T269 HydrophobicContact CB-CG2 3.9Å; I235-T269 HydrophobicContact CG1-CG2 4.24Å; I235-T269 HydrophobicContact CG2-CG2 3.94Å; R265-T269 VanDerWaalsContact O-CB 3.31Å; R265-T269 WeakPolarHBondContact O-CB 3.45Å; R265-T269 PolarHBondContact O-N 3.43Å; R265-T269 PolarHBondContact O-OG1 2.9Å; I266-T269 PolarHBondContact O-N 2.88Å; E267-T269 VanDerWaalsContact C-N 3.31Å; E267-T269 PolarHBondContact O-N 2.83Å; T269-K271 VanDerWaalsContact C-N 3.33Å; T269-K271 PolarHBondContact O-N 3.08Å; T269-Q272 WeakPolarHBondContact O-CB 3.42Å; T269-Q272 PolarHBondContact O-N 2.59Å; T269-F273 HydrophobicContact CG2-CD1 4.5Å; T269-F273 HydrophobicContact CG2-CD2 4.07Å; T269-F273 HydrophobicContact CG2-CE1 4.12Å; T269-F273 HydrophobicContact CG2-CE2 3.65Å; T269-F273 HydrophobicContact CG2-CG 4.48Å; T269-F273 HydrophobicContact CG2-CZ 3.68Å; T269-F273 WeakPolarHBondContact O-CG 3.23Å; T269-F273 PolarHBondContact O-N 3.45Å
270I98.4Very high97Very high14 Ų1465.5 Ų65.57%0.07233%0.329CS..Hα-helixtrans-61-46.3176.6-69.9164.3000110I235 L239 I266 E267 Q272 F273 L274 P278 V309 P322I235-I270 HydrophobicContact CG2-CG1 3.91Å; L239-I270 HydrophobicContact CD1-CG1 4.25Å; I266-I270 HydrophobicContact CG2-CD1 3.56Å; I266-I270 HydrophobicContact CG2-CG1 4.24Å; I266-I270 WeakPolarHBondContact O-CG1 3.42Å; I266-I270 PolarHBondContact O-N 3.37Å; E267-I270 PolarHBondContact O-N 3.01Å; I270-Q272 VanDerWaalsContact C-N 3.32Å; I270-Q272 PolarHBondContact O-N 3.18Å; I270-F273 PolarHBondContact O-N 3.3Å; I270-L274 PolarHBondContact O-N 3.39Å; I270-P278 HydrophobicContact CG2-CG 4.36Å; I270-V309 HydrophobicContact CD1-CG1 3.82Å; I270-P322 HydrophobicContact CD1-CB 3.84Å; I270-P322 HydrophobicContact CG1-CB 4.17Å; I270-P322 HydrophobicContact CG2-CB 3.89Å; I270-P322 HydrophobicContact CG2-CG 3.98Å
271K98Very high97.3Very high117 Ų11760.6 Ų60.651%0.50930%0.297SS..Hα-helixtrans-62.7-39.2176.6177.4169.4167.8153.60111.9E267 E268 T269 F273 G275 D276E267-K271 WeakPolarHBondContact O-CB 3.37Å; E267-K271 PolarHBondContact O-N 2.92Å; E268-K271 PolarHBondContact O-N 2.87Å; T269-K271 VanDerWaalsContact C-N 3.33Å; T269-K271 PolarHBondContact O-N 3.08Å; K271-F273 VanDerWaalsContact C-N 3.32Å; K271-F273 PolarHBondContact O-N 3.36Å; K271-G275 WeakPolarHBondContact O-CA 3.45Å; K271-G275 PolarHBondContact O-N 2.96Å; K271-D276 WeakPolarHBondContact CD-OD1 3.47Å; K271-D276 WeakPolarHBondContact CE-OD1 3.5Å; K271-D276 IonicContact NZ-OD1 2.74Å; K271-D276 PolarHBondContact NZ-OD1 2.81Å
272Q98.2Very high97.4Very high127 Ų12762.1 Ų62.159%0.59331%0.309SS*.Hα-helixtrans-61.8-41174.7-172.8-172.5-13.400111.5E268 T269 I270E268-Q272 WeakPolarHBondContact O-CB 3.42Å; E268-Q272 PolarHBondContact O-N 3.15Å; T269-Q272 WeakPolarHBondContact O-CB 3.42Å; T269-Q272 PolarHBondContact O-N 2.59Å; I270-Q272 VanDerWaalsContact C-N 3.32Å; I270-Q272 PolarHBondContact O-N 3.18Å
273F98.1Very high97.4Very high69 Ų6965.9 Ų65.930%0.30333%0.329SS..Hα-helixtrans-79.4-41.1-175.7-69.9-3.7000113.1K232 I235 T269 I270 K271K232-F273 HydrophobicContact CB-CZ 4.21Å; K232-F273 HydrophobicContact CG-CZ 4.16Å; I235-F273 HydrophobicContact CB-CE2 4.42Å; I235-F273 HydrophobicContact CG2-CD2 4.06Å; I235-F273 HydrophobicContact CG2-CE2 4.13Å; T269-F273 HydrophobicContact CG2-CD1 4.5Å; T269-F273 HydrophobicContact CG2-CD2 4.07Å; T269-F273 HydrophobicContact CG2-CE1 4.12Å; T269-F273 HydrophobicContact CG2-CE2 3.65Å; T269-F273 HydrophobicContact CG2-CG 4.48Å; T269-F273 HydrophobicContact CG2-CZ 3.68Å; T269-F273 WeakPolarHBondContact O-CG 3.23Å; T269-F273 PolarHBondContact O-N 3.45Å; I270-F273 PolarHBondContact O-N 3.3Å; K271-F273 VanDerWaalsContact C-N 3.32Å; K271-F273 PolarHBondContact O-N 3.36Å
274L98.2Very high97.6Very high19 Ų1963 Ų6310%0.09932%0.316CS..Hα-helixtrans-119.5-0.6-167.6-58-177.9000113.8L239 I270 P278 S281 D283 F284 P322L239-L274 HydrophobicContact CD1-CD1 3.94Å; I270-L274 PolarHBondContact O-N 3.39Å; L274-P278 HydrophobicContact CB-CB 3.98Å; L274-P278 HydrophobicContact CB-CG 4.21Å; L274-P278 HydrophobicContact CD1-CB 3.98Å; L274-S281 WeakPolarHBondContact O-CB 3.36Å; L274-D283 HydrophobicContact CD2-CB 4.46Å; L274-F284 HydrophobicContact CD1-CB 4.21Å; L274-F284 HydrophobicContact CD1-CD1 4.48Å; L274-F284 HydrophobicContact CD1-CD2 3.72Å; L274-F284 HydrophobicContact CD1-CE2 4.19Å; L274-F284 HydrophobicContact CD1-CG 3.89Å; L274-F284 HydrophobicContact CD2-CB 4.03Å; L274-F284 HydrophobicContact CD2-CD2 4.44Å; L274-P322 HydrophobicContact CD1-CG 3.72Å
275G97.7Very high97.7Very high35 Ų3558.6 Ų58.636%0.36130%0.295SS..  trans78-169.6-175.800000113.4K271 D277K271-G275 WeakPolarHBondContact O-CA 3.45Å; K271-G275 PolarHBondContact O-N 2.96Å; G275-D277 VanDerWaalsContact C-N 3.3Å; G275-D277 PolarHBondContact O-N 3.41Å
276D96.6Very high97.8Very high130 Ų13055.6 Ų55.670%0.69528%0.284SS*.SBendtrans-70.3-25.3-178.4-71.1-56.6000113.7K271K271-D276 WeakPolarHBondContact CD-OD1 3.47Å; K271-D276 WeakPolarHBondContact CE-OD1 3.5Å; K271-D276 IonicContact NZ-OD1 2.74Å; K271-D276 PolarHBondContact NZ-OD1 2.81Å
277D97Very high97.8Very high58 Ų5855.6 Ų55.631%0.3128%0.284SS..  trans-12989.6-179.3-174.6-10.1000109.7G275 Q279 K280 S281G275-D277 VanDerWaalsContact C-N 3.3Å; G275-D277 PolarHBondContact O-N 3.41Å; D277-Q279 PolarHBondContact O-N 3.17Å; D277-Q279 WeakPolarHBondContact OD1-CB 3.37Å; D277-Q279 PolarHBondContact OD1-N 2.98Å; D277-K280 HydrophobicContact CB-CB 4.4Å; D277-K280 HydrophobicContact CB-CD 4.33Å; D277-K280 HydrophobicContact CB-CG 4.45Å; D277-K280 PolarHBondContact O-N 3.27Å; D277-K280 VanDerWaalsContact OD2-CD 3.23Å; D277-K280 WeakPolarHBondContact OD2-CD 3.28Å; D277-K280 WeakPolarHBondContact OD2-CE 3.25Å; D277-K280 WeakPolarHBondContact OD2-CG 3.47Å; D277-K280 IonicContact OD2-NZ 2.74Å; D277-K280 PolarHBondContact OD2-NZ 2.63Å; D277-S281 PolarHBondContact O-N 3.34Å
278P97.6Very high97.9Very high18 Ų1852.6 Ų52.612%0.11727%0.27CS..THydrogen-bonded Turntrans-58.5-21.7-178.4-26.835.3000114.3I270 L274 K280 S281 P322I270-P278 HydrophobicContact CG2-CG 4.36Å; L274-P278 HydrophobicContact CB-CB 3.98Å; L274-P278 HydrophobicContact CB-CG 4.21Å; L274-P278 HydrophobicContact CD1-CB 3.98Å; P278-K280 VanDerWaalsContact C-N 3.29Å; P278-K280 PolarHBondContact O-N 3.13Å; P278-S281 WeakPolarHBondContact O-CB 3.31Å; P278-S281 PolarHBondContact O-N 3.11Å; P278-P322 HydrophobicContact CB-CG 4.23Å; P278-P322 HydrophobicContact CG-CG 4.5Å
279Q98.1Very high97.9Very high54 Ų5449.9 Ų49.925%0.25226%0.259SS..THydrogen-bonded Turntrans-68-32.8175.6-166.5172.96.800111.4R54 D277 R286 D314 D317 Y319R54-Q279 PolarHBondContact NH2-O 3.35Å; D277-Q279 PolarHBondContact O-N 3.17Å; D277-Q279 WeakPolarHBondContact OD1-CB 3.37Å; D277-Q279 PolarHBondContact OD1-N 2.98Å; Q279-R286 PolarHBondContact O-NH2 2.99Å; Q279-D314 PolarHBondContact NE2-OD2 3.28Å; Q279-D314 VanDerWaalsContact NE2-OD2 3.08Å; Q279-D317 WeakPolarHBondContact CG-OD2 3.32Å; Q279-D317 PolarHBondContact NE2-OD2 3.06Å; Q279-Y319 HydrophobicContact CB-CD1 4Å; Q279-Y319 HydrophobicContact CB-CD2 4.14Å; Q279-Y319 HydrophobicContact CB-CE1 3.73Å; Q279-Y319 HydrophobicContact CB-CE2 3.87Å; Q279-Y319 HydrophobicContact CB-CG 4.2Å; Q279-Y319 HydrophobicContact CG-CD1 3.71Å; Q279-Y319 HydrophobicContact CG-CD2 4Å; Q279-Y319 HydrophobicContact CG-CE1 3.98Å; Q279-Y319 HydrophobicContact CG-CE2 4.25Å; Q279-Y319 HydrophobicContact CG-CG 3.71Å; Q279-Y319 PolarHBondContact N-OH 3.35Å
280K97.7Very high97.9Very high164 Ų16452.8 Ų52.871%0.71328%0.276SS*.THydrogen-bonded Turntrans-86.2-7.5177.5-66.9179.9-173.3132.40113.6D277 P278D277-K280 HydrophobicContact CB-CB 4.4Å; D277-K280 HydrophobicContact CB-CD 4.33Å; D277-K280 HydrophobicContact CB-CG 4.45Å; D277-K280 PolarHBondContact O-N 3.27Å; D277-K280 VanDerWaalsContact OD2-CD 3.23Å; D277-K280 WeakPolarHBondContact OD2-CD 3.28Å; D277-K280 WeakPolarHBondContact OD2-CE 3.25Å; D277-K280 WeakPolarHBondContact OD2-CG 3.47Å; D277-K280 IonicContact OD2-NZ 2.74Å; D277-K280 PolarHBondContact OD2-NZ 2.63Å; P278-K280 VanDerWaalsContact C-N 3.29Å; P278-K280 PolarHBondContact O-N 3.13Å
281S97.9Very high97.9Very high6 Ų659.7 Ų59.74%0.04231%0.306CS..  trans-60.6131.4177-179.70000110.9L274 D277 P278 D283L274-S281 WeakPolarHBondContact O-CB 3.36Å; D277-S281 PolarHBondContact O-N 3.34Å; P278-S281 WeakPolarHBondContact O-CB 3.31Å; P278-S281 PolarHBondContact O-N 3.11Å; S281-D283 PolarHBondContact O-N 2.8Å; S281-D283 PolarHBondContact OG-N 2.8Å
282P96.9Very high97.9Very high97 Ų9755.8 Ų55.863%0.6329%0.289SS*.SBendtrans-72.6-17.1172.331.6-35.2000112.3C56C56-P282 VanDerWaalsContact CB-O 3.24Å; C56-P282 WeakPolarHBondContact CB-O 3.11Å
283D97.1Very high98Very high79 Ų7950.3 Ų50.342%0.42226%0.263SS..SBendtrans-92.5-10.1-174.7-63-55.3000113.4L274 S281L274-D283 HydrophobicContact CD2-CB 4.46Å; S281-D283 PolarHBondContact O-N 2.8Å; S281-D283 PolarHBondContact OG-N 2.8Å
284F98.1Very high98Very high2 Ų252.7 Ų52.71%0.00928%0.276CS..  trans-95.1116.3-176.4-163.1-131.7000111.9L239 C242 L274 R286 Y319 I320 P322 P342L239-F284 HydrophobicContact CB-CE2 4.34Å; L239-F284 HydrophobicContact CD2-CE2 4.14Å; C242-F284 HydrophobicContact CB-CE2 4.37Å; C242-F284 HydrophobicContact CB-CZ 4.48Å; C242-F284 VanDerWaalsContact SG-CZ 3.54Å; L274-F284 HydrophobicContact CD1-CB 4.21Å; L274-F284 HydrophobicContact CD1-CD1 4.48Å; L274-F284 HydrophobicContact CD1-CD2 3.72Å; L274-F284 HydrophobicContact CD1-CE2 4.19Å; L274-F284 HydrophobicContact CD1-CG 3.89Å; L274-F284 HydrophobicContact CD2-CB 4.03Å; L274-F284 HydrophobicContact CD2-CD2 4.44Å; F284-R286 PolarHBondContact O-NH1 3.17Å; F284-Y319 HydrophobicContact CD1-CD2 4.09Å; F284-Y319 AromaticContact CD1-CE2 3.81Å; F284-Y319 HydrophobicContact CD1-CE2 3.81Å; F284-Y319 AromaticContact CE1-CD2 3.98Å; F284-Y319 HydrophobicContact CE1-CD2 3.98Å; F284-Y319 AromaticContact CE1-CE2 3.66Å; F284-Y319 HydrophobicContact CE1-CE2 3.66Å; F284-I320 WeakPolarHBondContact CE1-O 3.31Å; F284-P322 HydrophobicContact CE1-CG 4.33Å; F284-P322 HydrophobicContact CE2-CG 4.35Å; F284-P322 HydrophobicContact CZ-CG 3.98Å; F284-P342 HydrophobicContact CZ-CB 3.99Å; F284-P342 HydrophobicContact CZ-CG 4.45Å
285A98.4Very high98Very high0 Ų055.9 Ų55.90%029%0.286CS..  trans-65.2177.7175.700000113R54 C242R54-A285 WeakPolarHBondContact O-CA 3.31Å; C242-A285 HydrophobicContact CB-CB 4.08Å
286R98.6Very high98.1Very high5 Ų554.2 Ų54.22%0.01927%0.269CS..  trans-122.1160178-65.5-60.4-176.4-101.113.5112.7L53 R54 Q244 Q279 F284 I288 D317 K318L53-R286 PolarHBondContact O-N 3.02Å; R54-R286 HydrophobicContact CB-CB 4.23Å; R54-R286 HydrophobicContact CB-CG 3.82Å; R54-R286 HydrophobicContact CG-CG 4.34Å; R54-R286 VanDerWaalsContact CZ-NH2 3.3Å; Q244-R286 PolarHBondContact NE2-O 3.28Å; Q279-R286 PolarHBondContact O-NH2 2.99Å; F284-R286 PolarHBondContact O-NH1 3.17Å; R286-I288 PolarHBondContact O-N 2.82Å; R286-D317 WeakPolarHBondContact CD-O 3.3Å; R286-D317 VanDerWaalsContact CG-O 3.32Å; R286-D317 WeakPolarHBondContact CG-O 3.36Å; R286-D317 IonicContact CZ-OD1 3.53Å; R286-D317 IonicContact CZ-OD2 3.52Å; R286-D317 VanDerWaalsContact CZ-OD2 3.29Å; R286-D317 PolarHBondContact NE-O 3.18Å; R286-D317 IonicContact NE-OD1 2.71Å; R286-D317 PolarHBondContact NE-OD1 3.44Å; R286-D317 VanDerWaalsContact NE-OD1 3.1Å; R286-D317 IonicContact NE-OD2 2.8Å; R286-D317 PolarHBondContact NE-OD2 3.05Å; R286-D317 IonicContact NH2-OD1 2.7Å; R286-D317 IonicContact NH2-OD2 2.8Å; R286-D317 PolarHBondContact NH2-OD2 2.77Å; R286-K318 HydrophobicContact CB-CB 4.38Å
287I98.8Very high98.2Very high1 Ų148.8 Ų48.81%0.00524%0.241CC..  trans-65.1132.4172.4-55.1-54.4000108.7C242 N289 H292 F293 L296 K318 I320C242-I287 HydrophobicContact CB-CD1 4.49Å; I287-N289 VanDerWaalsContact C-N 3.27Å; I287-N289 PolarHBondContact O-N 2.98Å; I287-N289 VanDerWaalsContact O-N 3.11Å; I287-H292 HydrophobicContact CG2-CB 3.58Å; I287-F293 HydrophobicContact CB-CB 4.41Å; I287-F293 HydrophobicContact CG2-CB 4.13Å; I287-L296 HydrophobicContact CD1-CD1 3.44Å; I287-L296 VanDerWaalsContact CD1-CD1 3.44Å; I287-L296 HydrophobicContact CG1-CD1 3.94Å; I287-L296 HydrophobicContact CG2-CD1 4.13Å; I287-K318 HydrophobicContact CB-CB 4.37Å; I287-K318 WeakPolarHBondContact CB-O 3.41Å; I287-K318 WeakPolarHBondContact CG1-O 3.25Å; I287-K318 PolarHBondContact N-O 3.44Å; I287-K318 VanDerWaalsContact N-O 3.07Å; I287-K318 WeakPolarHBondContact O-CB 3.47Å; I287-K318 VanDerWaalsContact O-CD 3.26Å; I287-K318 WeakPolarHBondContact O-CD 3.26Å; I287-K318 VanDerWaalsContact O-CE 3.23Å; I287-K318 WeakPolarHBondContact O-CE 3.45Å; I287-I320 HydrophobicContact CD1-CD1 4.42Å; I287-I320 HydrophobicContact CG1-CD1 3.92Å; I287-I320 HydrophobicContact CG1-CG1 4.07Å
288I98.6Very high98.2Very high8 Ų846.8 Ų46.84%0.04123%0.234CC..SBendtrans-50.8-42.5-169.9-176.661.6000113.9L53 W115 M143 T144 R286 H292L53-I288 HydrophobicContact CD2-CB 4.39Å; L53-I288 HydrophobicContact CD2-CD1 3.64Å; L53-I288 HydrophobicContact CG-CD1 4.27Å; W115-I288 HydrophobicContact CD2-CB 4.28Å; W115-I288 HydrophobicContact CD2-CG1 4.01Å; W115-I288 HydrophobicContact CD2-CG2 4.21Å; W115-I288 HydrophobicContact CE3-CB 3.68Å; W115-I288 HydrophobicContact CE3-CD1 4.04Å; W115-I288 HydrophobicContact CE3-CG1 3.69Å; W115-I288 HydrophobicContact CE3-CG2 3.97Å; W115-I288 HydrophobicContact CG-CG1 4.42Å; W115-I288 HydrophobicContact CH2-CB 4.04Å; W115-I288 HydrophobicContact CH2-CG2 3.57Å; W115-I288 HydrophobicContact CZ2-CG2 3.86Å; W115-I288 HydrophobicContact CZ3-CB 3.57Å; W115-I288 HydrophobicContact CZ3-CG1 4.14Å; W115-I288 HydrophobicContact CZ3-CG2 3.66Å; M143-I288 HydrophobicContact CB-CG1 4.02Å; M143-I288 WeakPolarHBondContact O-CD1 3.4Å; T144-I288 HydrophobicContact CG2-CD1 3.72Å; R286-I288 PolarHBondContact O-N 2.82Å; I288-H292 HydrophobicContact CG2-CB 3.91Å
289N98.1Very high98.3Very high39 Ų3947.2 Ų47.221%0.20924%0.235CC..SBendtrans-154.8171.6-179.163.746.3000112.3I287 K291 H292 F293I287-N289 VanDerWaalsContact C-N 3.27Å; I287-N289 PolarHBondContact O-N 2.98Å; I287-N289 VanDerWaalsContact O-N 3.11Å; N289-K291 VanDerWaalsContact C-N 3.29Å; N289-K291 PolarHBondContact O-N 2.89Å; N289-K291 WeakPolarHBondContact OD1-CB 3.43Å; N289-K291 PolarHBondContact OD1-N 2.57Å; N289-K291 VanDerWaalsContact OD1-N 3.08Å; N289-H292 PolarHBondContact O-N 3.35Å; N289-H292 PolarHBondContact OD1-CD2 2.87Å; N289-H292 VanDerWaalsContact OD1-CD2 3.27Å; N289-H292 PolarHBondContact OD1-N 2.84Å; N289-F293 WeakPolarHBondContact O-CB 3.47Å; N289-F293 PolarHBondContact O-N 3.05Å
290V98.4Very high98.3Very high66 Ų6645.8 Ų45.840%0.423%0.229SC..Hα-helixtrans-61.9-34.3-178.3178.30000112.3F293 Q294 V315V290-F293 WeakPolarHBondContact O-CB 3.36Å; V290-F293 PolarHBondContact O-N 2.84Å; V290-Q294 HydrophobicContact CG1-CG 4.16Å; V290-Q294 WeakPolarHBondContact O-CB 3.43Å; V290-Q294 VanDerWaalsContact O-CG 3.27Å; V290-Q294 WeakPolarHBondContact O-CG 3.33Å; V290-Q294 PolarHBondContact O-N 3.05Å; V290-V315 HydrophobicContact CG1-CG2 4.26Å
291K98.2Very high98.3Very high159 Ų15946.5 Ų46.569%0.69123%0.232SC*.Hα-helixtrans-64-46.6178-179.2-177.5177.2-177.70111.3N289 Q294 R295N289-K291 VanDerWaalsContact C-N 3.29Å; N289-K291 PolarHBondContact O-N 2.89Å; N289-K291 WeakPolarHBondContact OD1-CB 3.43Å; N289-K291 PolarHBondContact OD1-N 2.57Å; N289-K291 VanDerWaalsContact OD1-N 3.08Å; K291-Q294 PolarHBondContact O-N 2.69Å; K291-R295 PolarHBondContact O-N 3.27Å
292H98.5Very high98.3Very high36 Ų3651.8 Ų51.817%0.16726%0.256CS..Hα-helixtrans-67-37.6176.1-79.3-101.4000111.6W115 I287 I288 N289 R295 L296W115-H292 AromaticContact CZ2-CE1 3.78Å; I287-H292 HydrophobicContact CG2-CB 3.58Å; I288-H292 HydrophobicContact CG2-CB 3.91Å; N289-H292 PolarHBondContact O-N 3.35Å; N289-H292 PolarHBondContact OD1-CD2 2.87Å; N289-H292 VanDerWaalsContact OD1-CD2 3.27Å; N289-H292 PolarHBondContact OD1-N 2.84Å; H292-R295 PolarHBondContact O-N 3.12Å; H292-L296 WeakPolarHBondContact O-CG 3.39Å; H292-L296 PolarHBondContact O-N 3.16Å
293F98.8Very high98.4Very high11 Ų1147.9 Ų47.95%0.04823%0.231CC..Hα-helixtrans-60.5-47.7174.3175.3-82.6000112I287 N289 V290 R295 L296 T297 D314 V315 Y319 I320I287-F293 HydrophobicContact CB-CB 4.41Å; I287-F293 HydrophobicContact CG2-CB 4.13Å; N289-F293 WeakPolarHBondContact O-CB 3.47Å; N289-F293 PolarHBondContact O-N 3.05Å; V290-F293 WeakPolarHBondContact O-CB 3.36Å; V290-F293 PolarHBondContact O-N 2.84Å; F293-R295 VanDerWaalsContact C-N 3.33Å; F293-R295 PolarHBondContact O-N 3.22Å; F293-L296 PolarHBondContact O-N 2.92Å; F293-T297 HydrophobicContact CD1-CG2 4.17Å; F293-T297 HydrophobicContact CE1-CG2 3.7Å; F293-T297 HydrophobicContact CE2-CG2 4.23Å; F293-T297 HydrophobicContact CZ-CG2 3.74Å; F293-T297 WeakPolarHBondContact O-CG2 3.33Å; F293-T297 PolarHBondContact O-N 3.39Å; F293-T297 PolarHBondContact O-OG1 3.39Å; F293-D314 WeakPolarHBondContact CE2-O 3.39Å; F293-V315 HydrophobicContact CD1-CB 4.2Å; F293-V315 HydrophobicContact CD1-CG2 3.91Å; F293-V315 HydrophobicContact CE1-CB 3.62Å; F293-V315 HydrophobicContact CE1-CG2 3.83Å; F293-V315 VanDerWaalsContact CZ-CA 3.48Å; F293-V315 HydrophobicContact CZ-CB 3.83Å; F293-V315 HydrophobicContact CZ-CG2 4.43Å; F293-Y319 VanDerWaalsContact CE2-O 3.32Å; F293-Y319 WeakPolarHBondContact CE2-O 3.21Å; F293-I320 HydrophobicContact CD2-CD1 4.05Å; F293-I320 HydrophobicContact CD2-CG1 3.79Å; F293-I320 HydrophobicContact CE2-CD1 4.38Å; F293-I320 HydrophobicContact CE2-CG1 3.76Å
294Q98.7Very high98.4Very high119 Ų11952.5 Ų52.556%0.55625%0.247SC*.Hα-helixtrans-63.9-38.4178.6-75.6173.5-15.600111.8V290 K291 T297 G298V290-Q294 HydrophobicContact CG1-CG 4.16Å; V290-Q294 WeakPolarHBondContact O-CB 3.43Å; V290-Q294 VanDerWaalsContact O-CG 3.27Å; V290-Q294 WeakPolarHBondContact O-CG 3.33Å; V290-Q294 PolarHBondContact O-N 3.05Å; K291-Q294 PolarHBondContact O-N 2.69Å; Q294-T297 WeakPolarHBondContact CA-OG1 3.46Å; Q294-T297 PolarHBondContact O-OG1 3.45Å; Q294-G298 WeakPolarHBondContact O-CA 3.38Å; Q294-G298 PolarHBondContact O-N 3.04Å
295R98.5Very high98.4Very high86 Ų8652.9 Ų52.933%0.32525%0.252SS..Hα-helixtrans-58.2-53.4172.8-175.2-173.563.4906.4110.8K291 H292 F293 G298 L299 E338 I339K291-R295 PolarHBondContact O-N 3.27Å; H292-R295 PolarHBondContact O-N 3.12Å; F293-R295 VanDerWaalsContact C-N 3.33Å; F293-R295 PolarHBondContact O-N 3.22Å; R295-G298 PolarHBondContact O-N 3.13Å; R295-L299 WeakPolarHBondContact O-CG 3.14Å; R295-L299 PolarHBondContact O-N 3Å; R295-E338 PolarHBondContact NH1-O 3.12Å; R295-E338 VanDerWaalsContact NH1-O 3.13Å; R295-I339 PolarHBondContact NH1-O 3.48Å; R295-I339 VanDerWaalsContact NH1-O 3.13Å; R295-I339 PolarHBondContact NH2-O 2.9Å
296L98.8Very high98.4Very high0 Ų058.4 Ų58.40%028%0.276CS..Hα-helixtrans-63.9-46.7-176.4-70.8168.4000112.7I287 H292 F293 G298 L299 L300 I320 I339 I343I287-L296 HydrophobicContact CD1-CD1 3.44Å; I287-L296 VanDerWaalsContact CD1-CD1 3.44Å; I287-L296 HydrophobicContact CG1-CD1 3.94Å; I287-L296 HydrophobicContact CG2-CD1 4.13Å; H292-L296 WeakPolarHBondContact O-CG 3.39Å; H292-L296 PolarHBondContact O-N 3.16Å; F293-L296 PolarHBondContact O-N 2.92Å; L296-G298 VanDerWaalsContact C-N 3.28Å; L296-G298 PolarHBondContact O-N 2.81Å; L296-L299 WeakPolarHBondContact O-CB 3.45Å; L296-L299 PolarHBondContact O-N 3.26Å; L296-L300 PolarHBondContact O-N 3.37Å; L296-L300 VanDerWaalsContact O-N 3.11Å; L296-I320 HydrophobicContact CB-CD1 3.38Å; L296-I320 HydrophobicContact CD1-CD1 3.79Å; L296-I320 HydrophobicContact CG-CD1 4.24Å; L296-I339 HydrophobicContact CD2-CG2 3.97Å; L296-I339 VanDerWaalsContact CD2-O 3.24Å; L296-I339 WeakPolarHBondContact CD2-O 3.21Å; L296-I343 HydrophobicContact CB-CD1 4.13Å; L296-I343 HydrophobicContact CD2-CD1 3.98Å
297T98.6Very high98.4Very high16 Ų1661.1 Ų61.110%0.09829%0.293CS..Hα-helixtrans-66.1-32.2175.153.40000112.1F293 Q294 L300 K301 I320F293-T297 HydrophobicContact CD1-CG2 4.17Å; F293-T297 HydrophobicContact CE1-CG2 3.7Å; F293-T297 HydrophobicContact CE2-CG2 4.23Å; F293-T297 HydrophobicContact CZ-CG2 3.74Å; F293-T297 WeakPolarHBondContact O-CG2 3.33Å; F293-T297 PolarHBondContact O-N 3.39Å; F293-T297 PolarHBondContact O-OG1 3.39Å; Q294-T297 WeakPolarHBondContact CA-OG1 3.46Å; Q294-T297 PolarHBondContact O-OG1 3.45Å; T297-L300 PolarHBondContact O-N 3.26Å; T297-K301 WeakPolarHBondContact O-CG 3.48Å; T297-K301 PolarHBondContact O-N 3.29Å; T297-K301 VanDerWaalsContact O-N 3.1Å; T297-I320 HydrophobicContact CG2-CD1 3.95Å; T297-I320 HydrophobicContact CG2-CG1 4.26Å
298G98.5Very high98.2Very high17 Ų1765.1 Ų65.118%0.17531%0.313CS..Hα-helixtrans-63.4-39171.100000113Q294 R295 L296 K301 Q302Q294-G298 WeakPolarHBondContact O-CA 3.38Å; Q294-G298 PolarHBondContact O-N 3.04Å; R295-G298 PolarHBondContact O-N 3.13Å; L296-G298 VanDerWaalsContact C-N 3.28Å; L296-G298 PolarHBondContact O-N 2.81Å; G298-K301 PolarHBondContact O-N 2.82Å; G298-Q302 WeakPolarHBondContact O-CB 3.48Å; G298-Q302 WeakPolarHBondContact O-CG 3.35Å; G298-Q302 PolarHBondContact O-N 2.93Å; G298-Q302 PolarHBondContact O-NE2 2.62Å
299L98.6Very high98.1Very high26 Ų2665.3 Ų65.314%0.13631%0.314CS..Hα-helixtrans-63.9-46.4173.7-66.7173.8000111.3R295 L296 K301 Q302 T303 I333 L334R295-L299 WeakPolarHBondContact O-CG 3.14Å; R295-L299 PolarHBondContact O-N 3Å; L296-L299 WeakPolarHBondContact O-CB 3.45Å; L296-L299 PolarHBondContact O-N 3.26Å; L299-K301 PolarHBondContact O-N 2.89Å; L299-Q302 PolarHBondContact O-N 3.02Å; L299-Q302 VanDerWaalsContact O-N 3.09Å; L299-T303 PolarHBondContact O-N 3.08Å; L299-I333 HydrophobicContact CD2-CG1 3.69Å; L299-I333 HydrophobicContact CD2-CG2 4.4Å; L299-L334 HydrophobicContact CB-CD2 3.81Å
300L98.5Very high98.1Very high25 Ų2565 Ų6513%0.13132%0.32CS..Hα-helixtrans-61.5-30.3177-71.1177.1000113.5L296 T297 T303 V307 I320 T323 V325 I343L296-L300 PolarHBondContact O-N 3.37Å; L296-L300 VanDerWaalsContact O-N 3.11Å; T297-L300 PolarHBondContact O-N 3.26Å; L300-T303 WeakPolarHBondContact O-CG2 3.48Å; L300-V307 HydrophobicContact CD2-CG2 4.48Å; L300-I320 HydrophobicContact CD1-CG2 4.34Å; L300-T323 HydrophobicContact CD1-CG2 4.3Å; L300-T323 HydrophobicContact CD2-CG2 3.75Å; L300-V325 HydrophobicContact CD2-CG2 3.98Å; L300-I343 HydrophobicContact CD1-CD1 3.89Å; L300-I343 HydrophobicContact CD1-CG1 4.17Å; L300-I343 HydrophobicContact CD2-CD1 3.81Å; L300-I343 HydrophobicContact CD2-CG1 3.98Å; L300-I343 HydrophobicContact CD2-CG2 3.73Å; L300-I343 HydrophobicContact CG-CD1 3.58Å; L300-I343 HydrophobicContact CG-CG1 4.16Å
301K97.9Very high98Very high178 Ų17863.4 Ų63.477%0.77432%0.317SS*.Hα-helixtrans-76-27.3175.5-73.3174.3-177.2-179.50113.2T297 G298 L299T297-K301 WeakPolarHBondContact O-CG 3.48Å; T297-K301 PolarHBondContact O-N 3.29Å; T297-K301 VanDerWaalsContact O-N 3.1Å; G298-K301 PolarHBondContact O-N 2.82Å; L299-K301 PolarHBondContact O-N 2.89Å
302Q98.2Very high98Very high117 Ų11761.3 Ų61.355%0.54731%0.311SS..Hα-helixtrans-96.4-22.9-173.3-75.1174.278.700113.5G298 L299 I333G298-Q302 WeakPolarHBondContact O-CB 3.48Å; G298-Q302 WeakPolarHBondContact O-CG 3.35Å; G298-Q302 PolarHBondContact O-N 2.93Å; G298-Q302 PolarHBondContact O-NE2 2.62Å; L299-Q302 PolarHBondContact O-N 3.02Å; L299-Q302 VanDerWaalsContact O-N 3.09Å; Q302-I333 HydrophobicContact CB-CG2 3.94Å
303T98.4Very high98Very high16 Ų1662.6 Ų62.610%0.09832%0.324CS..  trans-56.8144.3178.1-169.20000111.6L299 L300 G305 V325 D332 L334L299-T303 PolarHBondContact O-N 3.08Å; L300-T303 WeakPolarHBondContact O-CG2 3.48Å; T303-G305 PolarHBondContact OG1-N 2.71Å; T303-V325 HydrophobicContact CG2-CG1 4.19Å; T303-D332 WeakPolarHBondContact CB-OD1 3.29Å; T303-D332 PolarHBondContact OG1-OD1 3.32Å; T303-D332 PolarHBondContact OG1-OD2 2.86Å; T303-L334 HydrophobicContact CG2-CD1 4.15Å; T303-L334 VanDerWaalsContact OG1-CD1 3.28Å; T303-L334 WeakPolarHBondContact OG1-CD1 3.36Å
304K98Very high98Very high175 Ų17564.4 Ų64.476%0.76133%0.334SS*.  trans-93.1-13171.4-58.1-54.1-177.5-171.30112D332K304-D332 PolarHBondContact N-OD2 3.47Å
305G97.9Very high98Very high11 Ų1161.8 Ų61.811%0.11333%0.326CS..SBendtrans-64.7166.7170.900000112.6T303 F326T303-G305 PolarHBondContact OG1-N 2.71Å; G305-F326 CarbonylContact C-O 3.56Å; G305-F326 WeakPolarHBondContact CA-O 3.36Å
306K98Very high97.9Very high115 Ų11564.9 Ų64.950%0.535%0.349SS..EExtended strand (participates in β ladder)trans-99.1118.8-178-62.6177.8-168.11510110.3M308 V325 F326 D327K306-M308 HydrophobicContact CB-CG 4.17Å; K306-M308 HydrophobicContact CB-SD 3.97Å; K306-M308 PolarHBondContact O-N 2.8Å; K306-V325 CarbonylContact O-C 3.54Å; K306-V325 WeakPolarHBondContact O-CA 3.42Å; K306-F326 PolarHBondContact N-O 3.17Å; K306-F326 PolarHBondContact O-N 3.04Å; K306-D327 WeakPolarHBondContact CD-OD2 3.35Å; K306-D327 WeakPolarHBondContact CE-OD2 3.31Å; K306-D327 IonicContact NZ-OD2 2.72Å; K306-D327 PolarHBondContact NZ-OD2 3.34Å
307V97.8Very high97.9Very high63 Ų6366.7 Ų66.738%0.38236%0.359SS..EExtended strand (participates in β ladder)trans-70.9102.1170.6-177.90000108.4L300 T323 V325L300-V307 HydrophobicContact CD2-CG2 4.48Å; V307-T323 HydrophobicContact CG1-CG2 3.87Å; V307-V325 HydrophobicContact CG2-CG2 4.24Å
308M95.8Very high97.9Very high85 Ų8569 Ų6942%0.41937%0.367SS..EExtended strand (participates in β ladder)trans-102-21-176-62.4-62.2-70.300113.1K263 K306 V324 F326K263-M308 HydrophobicContact CD-CB 4.13Å; K263-M308 HydrophobicContact CD-CE 4.07Å; K263-M308 WeakPolarHBondContact CE-O 3.49Å; K306-M308 HydrophobicContact CB-CG 4.17Å; K306-M308 HydrophobicContact CB-SD 3.97Å; K306-M308 PolarHBondContact O-N 2.8Å; M308-V324 PolarHBondContact N-O 3.4Å; M308-V324 VanDerWaalsContact N-O 3.1Å; M308-F326 HydrophobicContact CB-CD2 3.59Å; M308-F326 HydrophobicContact CB-CE2 4.03Å; M308-F326 HydrophobicContact CB-CG 4.43Å; M308-F326 HydrophobicContact CG-CB 3.89Å; M308-F326 HydrophobicContact CG-CD2 3.66Å; M308-F326 HydrophobicContact CG-CG 4.04Å
309V96.5Very high97.9Very high11 Ų1168.4 Ų68.47%0.06736%0.36CS..EExtended strand (participates in β ladder)trans-133.9134.2177.6-176.30000107.9K263 E267 I270 T323 V324K263-V309 HydrophobicContact CG-CG2 4.06Å; E267-V309 HydrophobicContact CG-CB 4.31Å; E267-V309 HydrophobicContact CG-CG1 3.83Å; E267-V309 HydrophobicContact CG-CG2 3.57Å; I270-V309 HydrophobicContact CD1-CG1 3.82Å; V309-T323 VanDerWaalsContact O-CA 3.29Å; V309-T323 WeakPolarHBondContact O-CA 3.43Å; V309-V324 HydrophobicContact CB-CB 3.9Å; V309-V324 HydrophobicContact CB-CG2 3.9Å; V309-V324 HydrophobicContact CG1-CG2 4.31Å; V309-V324 HydrophobicContact CG2-CB 4.12Å; V309-V324 HydrophobicContact CG2-CG2 4.24Å; V309-V324 PolarHBondContact N-O 3.5Å; V309-V324 PolarHBondContact O-N 2.81Å
310G97.3Very high97.9Very high32 Ų3267.2 Ų67.233%0.3335%0.354SS..  trans71.4-134.1178.700000113.5M312 P322G310-M312 VanDerWaalsContact O-SD 3.42Å; G310-P322 WeakPolarHBondContact CA-O 3.35Å
311G97.1Very high97.9Very high33 Ų3366.1 Ų66.134%0.3435%0.348SS..  trans94.5-10.6-178.200000115.5T323G311-T323 PolarHBondContact N-OG1 3.48Å
312M98Very high97.9Very high116 Ų11657.9 Ų57.957%0.57131%0.313SS*.  trans-75.3147.7175.1-6079.876.800111.3G310 A321G310-M312 VanDerWaalsContact O-SD 3.42Å; M312-A321 HydrophobicContact CB-CB 4.27Å; M312-A321 HydrophobicContact CE-CB 4.38Å; M312-A321 WeakPolarHBondContact O-CB 3.32Å; M312-A321 PolarHBondContact O-N 3.4Å
313S98.3Very high98Very high62 Ų6252.4 Ų52.443%0.43429%0.288SS..EExtended strand (participates in β ladder)trans-149.2147.2175.966.70000111.9Y319S313-Y319 CarbonylContact C-O 3.48Å; S313-Y319 WeakPolarHBondContact CA-O 3.13Å; S313-Y319 WeakPolarHBondContact CB-O 3.44Å
314D98.6Very high98Very high50 Ų5051.8 Ų51.827%0.26728%0.284SS..EExtended strand (participates in β ladder)trans-132.1115173.9178.5-1.1000109.5Q279 F293 N316 D317 K318 Y319Q279-D314 PolarHBondContact NE2-OD2 3.28Å; Q279-D314 VanDerWaalsContact NE2-OD2 3.08Å; F293-D314 WeakPolarHBondContact CE2-O 3.39Å; D314-N316 VanDerWaalsContact C-N 3.32Å; D314-N316 PolarHBondContact O-N 3.12Å; D314-N316 WeakPolarHBondContact OD1-CB 2.96Å; D314-N316 PolarHBondContact OD1-N 3.34Å; D314-D317 HydrophobicContact CB-CB 4.43Å; D314-K318 CarbonylContact O-C 3.59Å; D314-K318 WeakPolarHBondContact O-CA 3.3Å; D314-K318 PolarHBondContact O-N 2.93Å; D314-Y319 HydrophobicContact CB-CD1 4.44Å; D314-Y319 PolarHBondContact N-O 3.14Å; D314-Y319 PolarHBondContact O-N 3.38Å
315V98.1Very high98Very high64 Ų6443.4 Ų43.439%0.38825%0.248SC..THydrogen-bonded Turntrans-68.7-30.6-177.566.40000112.5V290 F293 D317 K318V290-V315 HydrophobicContact CG1-CG2 4.26Å; F293-V315 HydrophobicContact CD1-CB 4.2Å; F293-V315 HydrophobicContact CD1-CG2 3.91Å; F293-V315 HydrophobicContact CE1-CB 3.62Å; F293-V315 HydrophobicContact CE1-CG2 3.83Å; F293-V315 VanDerWaalsContact CZ-CA 3.48Å; F293-V315 HydrophobicContact CZ-CB 3.83Å; F293-V315 HydrophobicContact CZ-CG2 4.43Å; V315-D317 VanDerWaalsContact C-N 3.34Å; V315-K318 PolarHBondContact O-N 3Å
316N97.8Very high98Very high151 Ų15143.7 Ų43.781%0.80725%0.246SC*.THydrogen-bonded Turntrans-71-35-177.3-63.8-44.7000111.1D314D314-N316 VanDerWaalsContact C-N 3.32Å; D314-N316 PolarHBondContact O-N 3.12Å; D314-N316 WeakPolarHBondContact OD1-CB 2.96Å; D314-N316 PolarHBondContact OD1-N 3.34Å
317D97.7Very high97.9Very high37 Ų3742.7 Ų42.720%0.19825%0.246CC..THydrogen-bonded Turntrans-91.8-2.6173.6-17022000112.4R54 Q279 R286 D314 V315 Y319R54-D317 VanDerWaalsContact NH1-CG 3.35Å; R54-D317 IonicContact NH1-OD1 2.99Å; R54-D317 PolarHBondContact NH1-OD1 3.35Å; R54-D317 IonicContact NH1-OD2 3.17Å; R54-D317 PolarHBondContact NH1-OD2 2.53Å; R54-D317 VanDerWaalsContact NH1-OD2 3.13Å; Q279-D317 WeakPolarHBondContact CG-OD2 3.32Å; Q279-D317 PolarHBondContact NE2-OD2 3.06Å; R286-D317 WeakPolarHBondContact CD-O 3.3Å; R286-D317 VanDerWaalsContact CG-O 3.32Å; R286-D317 WeakPolarHBondContact CG-O 3.36Å; R286-D317 IonicContact CZ-OD1 3.53Å; R286-D317 IonicContact CZ-OD2 3.52Å; R286-D317 VanDerWaalsContact CZ-OD2 3.29Å; R286-D317 PolarHBondContact NE-O 3.18Å; R286-D317 IonicContact NE-OD1 2.71Å; R286-D317 PolarHBondContact NE-OD1 3.44Å; R286-D317 VanDerWaalsContact NE-OD1 3.1Å; R286-D317 IonicContact NE-OD2 2.8Å; R286-D317 PolarHBondContact NE-OD2 3.05Å; R286-D317 IonicContact NH2-OD1 2.7Å; R286-D317 IonicContact NH2-OD2 2.8Å; R286-D317 PolarHBondContact NH2-OD2 2.77Å; D314-D317 HydrophobicContact CB-CB 4.43Å; V315-D317 VanDerWaalsContact C-N 3.34Å; D317-Y319 PolarHBondContact O-N 3.23Å; D317-Y319 VanDerWaalsContact O-N 3.13Å
318K98.5Very high98Very high64 Ų6440.1 Ų40.128%0.27823%0.23SC..THydrogen-bonded Turntrans49.334.6-169.5-52.4177.7-63.1-113.90112.1R286 I287 D314 V315R286-K318 HydrophobicContact CB-CB 4.38Å; I287-K318 HydrophobicContact CB-CB 4.37Å; I287-K318 WeakPolarHBondContact CB-O 3.41Å; I287-K318 WeakPolarHBondContact CG1-O 3.25Å; I287-K318 PolarHBondContact N-O 3.44Å; I287-K318 VanDerWaalsContact N-O 3.07Å; I287-K318 WeakPolarHBondContact O-CB 3.47Å; I287-K318 VanDerWaalsContact O-CD 3.26Å; I287-K318 WeakPolarHBondContact O-CD 3.26Å; I287-K318 VanDerWaalsContact O-CE 3.23Å; I287-K318 WeakPolarHBondContact O-CE 3.45Å; D314-K318 CarbonylContact O-C 3.59Å; D314-K318 WeakPolarHBondContact O-CA 3.3Å; D314-K318 PolarHBondContact O-N 2.93Å; V315-K318 PolarHBondContact O-N 3Å
319Y98.8Very high98Very high6 Ų640.9 Ų40.92%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-92.5128.2-175.5167-107.4000110.8Q279 F284 F293 S313 D314 D317 A321Q279-Y319 HydrophobicContact CB-CD1 4Å; Q279-Y319 HydrophobicContact CB-CD2 4.14Å; Q279-Y319 HydrophobicContact CB-CE1 3.73Å; Q279-Y319 HydrophobicContact CB-CE2 3.87Å; Q279-Y319 HydrophobicContact CB-CG 4.2Å; Q279-Y319 HydrophobicContact CG-CD1 3.71Å; Q279-Y319 HydrophobicContact CG-CD2 4Å; Q279-Y319 HydrophobicContact CG-CE1 3.98Å; Q279-Y319 HydrophobicContact CG-CE2 4.25Å; Q279-Y319 HydrophobicContact CG-CG 3.71Å; Q279-Y319 PolarHBondContact N-OH 3.35Å; F284-Y319 HydrophobicContact CD1-CD2 4.09Å; F284-Y319 AromaticContact CD1-CE2 3.81Å; F284-Y319 HydrophobicContact CD1-CE2 3.81Å; F284-Y319 AromaticContact CE1-CD2 3.98Å; F284-Y319 HydrophobicContact CE1-CD2 3.98Å; F284-Y319 AromaticContact CE1-CE2 3.66Å; F284-Y319 HydrophobicContact CE1-CE2 3.66Å; F293-Y319 VanDerWaalsContact CE2-O 3.32Å; F293-Y319 WeakPolarHBondContact CE2-O 3.21Å; S313-Y319 CarbonylContact C-O 3.48Å; S313-Y319 WeakPolarHBondContact CA-O 3.13Å; S313-Y319 WeakPolarHBondContact CB-O 3.44Å; D314-Y319 HydrophobicContact CB-CD1 4.44Å; D314-Y319 PolarHBondContact N-O 3.14Å; D314-Y319 PolarHBondContact O-N 3.38Å; D317-Y319 PolarHBondContact O-N 3.23Å; D317-Y319 VanDerWaalsContact O-N 3.13Å; Y319-A321 HydrophobicContact CE1-CB 4.16Å; Y319-A321 WeakPolarHBondContact OH-CA 3.38Å; Y319-A321 WeakPolarHBondContact OH-CB 3.34Å
320I98.8Very high98Very high0 Ų042.6 Ų42.60%024%0.243CC..EExtended strand (participates in β ladder)trans-123.7124.5166-59.5-179.8000106.1F284 I287 F293 L296 T297 L300 P342F284-I320 WeakPolarHBondContact CE1-O 3.31Å; I287-I320 HydrophobicContact CD1-CD1 4.42Å; I287-I320 HydrophobicContact CG1-CD1 3.92Å; I287-I320 HydrophobicContact CG1-CG1 4.07Å; F293-I320 HydrophobicContact CD2-CD1 4.05Å; F293-I320 HydrophobicContact CD2-CG1 3.79Å; F293-I320 HydrophobicContact CE2-CD1 4.38Å; F293-I320 HydrophobicContact CE2-CG1 3.76Å; L296-I320 HydrophobicContact CB-CD1 3.38Å; L296-I320 HydrophobicContact CD1-CD1 3.79Å; L296-I320 HydrophobicContact CG-CD1 4.24Å; T297-I320 HydrophobicContact CG2-CD1 3.95Å; T297-I320 HydrophobicContact CG2-CG1 4.26Å; L300-I320 HydrophobicContact CD1-CG2 4.34Å; I320-P342 HydrophobicContact CB-CG 3.84Å; I320-P342 HydrophobicContact CG2-CG 3.87Å; I320-P342 WeakPolarHBondContact O-CG 3.22Å
321A98.6Very high97.9Very high2 Ų248 Ų482%0.01726%0.26CS..  trans-58.6148.6179.600000111M312 Y319 T323M312-A321 HydrophobicContact CB-CB 4.27Å; M312-A321 HydrophobicContact CE-CB 4.38Å; M312-A321 WeakPolarHBondContact O-CB 3.32Å; M312-A321 PolarHBondContact O-N 3.4Å; Y319-A321 HydrophobicContact CE1-CB 4.16Å; Y319-A321 WeakPolarHBondContact OH-CA 3.38Å; Y319-A321 WeakPolarHBondContact OH-CB 3.34Å; A321-T323 WeakPolarHBondContact O-CB 3.43Å; A321-T323 PolarHBondContact O-N 2.88Å; A321-T323 PolarHBondContact O-OG1 2.97Å
322P98.7Very high98Very high5 Ų546.8 Ų46.83%0.03225%0.245CC..  trans-46.3108.3161.8-28.436.5000110L239 I270 L274 P278 F284 G310L239-P322 HydrophobicContact CD1-CB 4.21Å; L239-P322 HydrophobicContact CD1-CG 4.13Å; L239-P322 HydrophobicContact CD2-CB 3.73Å; L239-P322 HydrophobicContact CD2-CG 3.91Å; I270-P322 HydrophobicContact CD1-CB 3.84Å; I270-P322 HydrophobicContact CG1-CB 4.17Å; I270-P322 HydrophobicContact CG2-CB 3.89Å; I270-P322 HydrophobicContact CG2-CG 3.98Å; L274-P322 HydrophobicContact CD1-CG 3.72Å; P278-P322 HydrophobicContact CB-CG 4.23Å; P278-P322 HydrophobicContact CG-CG 4.5Å; F284-P322 HydrophobicContact CE1-CG 4.33Å; F284-P322 HydrophobicContact CE2-CG 4.35Å; F284-P322 HydrophobicContact CZ-CG 3.98Å; G310-P322 WeakPolarHBondContact CA-O 3.35Å
323T98.8Very high98Very high2 Ų244.1 Ų44.11%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-119.9130-168.3-62.10000110L300 V307 V309 G311 A321 V325 P342 I343 L344L300-T323 HydrophobicContact CD1-CG2 4.3Å; L300-T323 HydrophobicContact CD2-CG2 3.75Å; V307-T323 HydrophobicContact CG1-CG2 3.87Å; V309-T323 VanDerWaalsContact O-CA 3.29Å; V309-T323 WeakPolarHBondContact O-CA 3.43Å; G311-T323 PolarHBondContact N-OG1 3.48Å; A321-T323 WeakPolarHBondContact O-CB 3.43Å; A321-T323 PolarHBondContact O-N 2.88Å; A321-T323 PolarHBondContact O-OG1 2.97Å; T323-V325 HydrophobicContact CG2-CG2 4.17Å; T323-P342 PolarHBondContact N-O 3.03Å; T323-I343 CarbonylContact O-C 3.45Å; T323-I343 WeakPolarHBondContact O-CA 3.28Å; T323-L344 PolarHBondContact O-N 3.29Å
324V98.6Very high98Very high3 Ų341.2 Ų41.22%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-121.2124.5176.3-167.60000108.9I266 M308 V309 F326 L344 V346I266-V324 HydrophobicContact CD1-CG1 4.23Å; I266-V324 HydrophobicContact CG2-CG2 3.67Å; M308-V324 PolarHBondContact N-O 3.4Å; M308-V324 VanDerWaalsContact N-O 3.1Å; V309-V324 HydrophobicContact CB-CB 3.9Å; V309-V324 HydrophobicContact CB-CG2 3.9Å; V309-V324 HydrophobicContact CG1-CG2 4.31Å; V309-V324 HydrophobicContact CG2-CB 4.12Å; V309-V324 HydrophobicContact CG2-CG2 4.24Å; V309-V324 PolarHBondContact N-O 3.5Å; V309-V324 PolarHBondContact O-N 2.81Å; V324-F326 HydrophobicContact CB-CD2 4.44Å; V324-F326 HydrophobicContact CB-CE2 3.95Å; V324-F326 HydrophobicContact CG1-CD2 3.86Å; V324-F326 HydrophobicContact CG1-CE2 3.34Å; V324-F326 HydrophobicContact CG1-CZ 3.98Å; V324-L344 WeakPolarHBondContact CA-O 3.45Å; V324-L344 WeakPolarHBondContact CG1-O 3.42Å; V324-V346 HydrophobicContact CG1-CG2 3.49Å; V324-V346 VanDerWaalsContact CG1-CG2 3.49Å
325V98.7Very high98Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-110.1114.3-177.9-1690000107.8L300 T303 K306 V307 T323 V328 L334 I343 L344 P345 V346L300-V325 HydrophobicContact CD2-CG2 3.98Å; T303-V325 HydrophobicContact CG2-CG1 4.19Å; K306-V325 CarbonylContact O-C 3.54Å; K306-V325 WeakPolarHBondContact O-CA 3.42Å; V307-V325 HydrophobicContact CG2-CG2 4.24Å; T323-V325 HydrophobicContact CG2-CG2 4.17Å; V325-V328 HydrophobicContact CB-CG2 3.97Å; V325-V328 HydrophobicContact CG1-CG2 3.64Å; V325-V328 VanDerWaalsContact O-CG2 3.31Å; V325-V328 WeakPolarHBondContact O-CG2 3.46Å; V325-L334 HydrophobicContact CB-CD1 3.87Å; V325-L334 HydrophobicContact CG1-CD1 3.9Å; V325-L334 HydrophobicContact CG2-CD1 3.79Å; V325-I343 HydrophobicContact CG2-CG2 3.96Å; V325-L344 PolarHBondContact N-O 3.24Å; V325-P345 CarbonylContact O-C 3.53Å; V325-P345 WeakPolarHBondContact O-CA 3.38Å; V325-V346 PolarHBondContact O-N 3.2Å
326F97.9Very high97.9Very high17 Ų1740.3 Ų40.38%0.07520%0.203CC..EExtended strand (participates in β ladder)trans-95.5170.1178.4-74.1-103.9000110.8L259 L262 K263 I266 G305 K306 M308 V324 V328 V346L259-F326 HydrophobicContact CD2-CD1 4.39Å; L259-F326 HydrophobicContact CD2-CE1 4.34Å; L262-F326 HydrophobicContact CD2-CE1 4.14Å; L262-F326 HydrophobicContact CD2-CZ 4.47Å; K263-F326 HydrophobicContact CB-CE2 4.34Å; K263-F326 HydrophobicContact CB-CZ 3.89Å; K263-F326 HydrophobicContact CG-CE2 4.45Å; K263-F326 HydrophobicContact CG-CZ 4.48Å; I266-F326 HydrophobicContact CD1-CZ 4.36Å; G305-F326 CarbonylContact C-O 3.56Å; G305-F326 WeakPolarHBondContact CA-O 3.36Å; K306-F326 PolarHBondContact N-O 3.17Å; K306-F326 PolarHBondContact O-N 3.04Å; M308-F326 HydrophobicContact CB-CD2 3.59Å; M308-F326 HydrophobicContact CB-CE2 4.03Å; M308-F326 HydrophobicContact CB-CG 4.43Å; M308-F326 HydrophobicContact CG-CB 3.89Å; M308-F326 HydrophobicContact CG-CD2 3.66Å; M308-F326 HydrophobicContact CG-CG 4.04Å; V324-F326 HydrophobicContact CB-CD2 4.44Å; V324-F326 HydrophobicContact CB-CE2 3.95Å; V324-F326 HydrophobicContact CG1-CD2 3.86Å; V324-F326 HydrophobicContact CG1-CE2 3.34Å; V324-F326 HydrophobicContact CG1-CZ 3.98Å; F326-V328 PolarHBondContact O-N 3.48Å; F326-V346 HydrophobicContact CD1-CB 4.1Å; F326-V346 HydrophobicContact CD1-CG1 4.1Å; F326-V346 HydrophobicContact CD1-CG2 4.48Å; F326-V346 HydrophobicContact CE1-CB 4.34Å; F326-V346 HydrophobicContact CE1-CG1 4.14Å; F326-V346 HydrophobicContact CE1-CG2 4.34Å; F326-V346 HydrophobicContact CG-CB 4.37Å; F326-V346 HydrophobicContact CZ-CG2 4.38Å
327D96.4Very high97.6Very high94 Ų9439.2 Ų39.250%0.50320%0.197SC..SBendtrans5441.7-179.6-56.6-20.7000111.7K306K306-D327 WeakPolarHBondContact CD-OD2 3.35Å; K306-D327 WeakPolarHBondContact CE-OD2 3.31Å; K306-D327 IonicContact NZ-OD2 2.72Å; K306-D327 PolarHBondContact NZ-OD2 3.34Å
328V98.1Very high97.6Very high8 Ų839.6 Ų39.65%0.04820%0.197CC..  trans-86.5129179.1176.60000109.2V325 F326 D332 M335 P345 V346 L347V325-V328 HydrophobicContact CB-CG2 3.97Å; V325-V328 HydrophobicContact CG1-CG2 3.64Å; V325-V328 VanDerWaalsContact O-CG2 3.31Å; V325-V328 WeakPolarHBondContact O-CG2 3.46Å; F326-V328 PolarHBondContact O-N 3.48Å; V328-D332 HydrophobicContact CG1-CB 3.65Å; V328-M335 HydrophobicContact CG1-CG 3.76Å; V328-P345 HydrophobicContact CB-CB 4.27Å; V328-P345 HydrophobicContact CG1-CB 4.03Å; V328-P345 HydrophobicContact CG2-CB 3.97Å; V328-V346 PolarHBondContact N-O 3.27Å; V328-L347 HydrophobicContact CB-CD1 4.49Å; V328-L347 HydrophobicContact CB-CG 4.23Å; V328-L347 HydrophobicContact CG1-CD1 4.4Å; V328-L347 HydrophobicContact CG1-CG 4.35Å; V328-L347 WeakPolarHBondContact O-CD2 3.27Å; V328-L347 VanDerWaalsContact O-CG 3.29Å; V328-L347 WeakPolarHBondContact O-CG 3.5Å
329D96.4Very high97.6Very high102 Ų10236.6 Ų36.655%0.54518%0.184SC..  trans-82.6157.5173.8-69.5-52000111.9E331 D332D329-E331 PolarHBondContact O-N 2.93Å; D329-D332 VanDerWaalsContact O-CB 3.28Å; D329-D332 WeakPolarHBondContact O-CB 3.48Å; D329-D332 PolarHBondContact O-N 2.83Å
330E96.3Very high97.6Very high47 Ų4737.5 Ų37.522%0.2219%0.188CC..THydrogen-bonded Turntrans-60.8-28.8179.9-65.3-173-147.900113M335 L347 R357 I358 K362E330-M335 VanDerWaalsContact O-CB 3.31Å; E330-M335 WeakPolarHBondContact O-CB 3.47Å; E330-L347 HydrophobicContact CG-CD2 4.2Å; E330-R357 IonicContact OE1-CZ 2.94Å; E330-R357 IonicContact OE1-NE 2.64Å; E330-R357 IonicContact OE1-NH2 3.13Å; E330-R357 PolarHBondContact OE1-NH2 3.15Å; E330-I358 HydrophobicContact CG-CD1 4.21Å; E330-I358 HydrophobicContact CG-CG1 4.22Å; E330-I358 HydrophobicContact CG-CG2 4.45Å; E330-I358 WeakPolarHBondContact OE1-CD1 3.43Å; E330-I358 WeakPolarHBondContact OE1-CG1 3.39Å; E330-K362 PolarHBondContact O-NZ 2.89Å
331E96.6Very high97.6Very high144 Ų14437.5 Ų37.567%0.67319%0.188SC*.THydrogen-bonded Turntrans-90.9-2.9178.4-61.973.7-158.600113.8D329 Q336D329-E331 PolarHBondContact O-N 2.93Å; E331-Q336 VanDerWaalsContact C-NE2 3.32Å; E331-Q336 PolarHBondContact O-NE2 3.09Å
332D98.3Very high97.6Very high8 Ų837.4 Ų37.44%0.04319%0.188CC..SBendtrans-57.5152.4179.5-168.8-86.7000111.5T303 K304 V328 D329 L334 M335 Q336T303-D332 WeakPolarHBondContact CB-OD1 3.29Å; T303-D332 PolarHBondContact OG1-OD1 3.32Å; T303-D332 PolarHBondContact OG1-OD2 2.86Å; K304-D332 PolarHBondContact N-OD2 3.47Å; V328-D332 HydrophobicContact CG1-CB 3.65Å; D329-D332 VanDerWaalsContact O-CB 3.28Å; D329-D332 WeakPolarHBondContact O-CB 3.48Å; D329-D332 PolarHBondContact O-N 2.83Å; D332-L334 PolarHBondContact O-N 3.4Å; D332-L334 WeakPolarHBondContact OD1-CB 3.25Å; D332-L334 WeakPolarHBondContact OD1-CG 3.42Å; D332-L334 PolarHBondContact OD1-N 3.35Å; D332-M335 WeakPolarHBondContact O-CA 3.36Å; D332-M335 WeakPolarHBondContact O-CB 3.17Å; D332-M335 PolarHBondContact O-N 2.77Å; D332-Q336 PolarHBondContact O-NE2 3.04Å
333I98.2Very high97.6Very high61 Ų6137.2 Ų37.231%0.31319%0.186SC..G310 helixtrans-58.3-32178.6-164.662.4000112.3L299 Q302 M335 Q336L299-I333 HydrophobicContact CD2-CG1 3.69Å; L299-I333 HydrophobicContact CD2-CG2 4.4Å; Q302-I333 HydrophobicContact CB-CG2 3.94Å; I333-M335 PolarHBondContact O-N 3.09Å; I333-Q336 HydrophobicContact CD1-CG 4.41Å; I333-Q336 PolarHBondContact O-N 3.31Å
334L98.5Very high97.6Very high1 Ų137.2 Ų37.21%0.00519%0.186CC..G310 helixtrans-67.4-15.8174.9-66.8175.3000113K216 L299 T303 V325 D332 I343 P345K216-L334 PolarHBondContact NZ-O 3.4Å; L299-L334 HydrophobicContact CB-CD2 3.81Å; T303-L334 HydrophobicContact CG2-CD1 4.15Å; T303-L334 VanDerWaalsContact OG1-CD1 3.28Å; T303-L334 WeakPolarHBondContact OG1-CD1 3.36Å; V325-L334 HydrophobicContact CB-CD1 3.87Å; V325-L334 HydrophobicContact CG1-CD1 3.9Å; V325-L334 HydrophobicContact CG2-CD1 3.79Å; D332-L334 PolarHBondContact O-N 3.4Å; D332-L334 WeakPolarHBondContact OD1-CB 3.25Å; D332-L334 WeakPolarHBondContact OD1-CG 3.42Å; D332-L334 PolarHBondContact OD1-N 3.35Å; L334-I343 HydrophobicContact CD1-CG2 4.41Å; L334-I343 HydrophobicContact CD2-CG2 4.05Å; L334-P345 HydrophobicContact CB-CB 4.31Å; L334-P345 HydrophobicContact CB-CG 3.8Å; L334-P345 HydrophobicContact CD1-CB 4.42Å; L334-P345 HydrophobicContact CD1-CG 4.21Å
335M98.1Very high97.6Very high0 Ų037 Ų370%019%0.185CC..G310 helixtrans-102.60.7-177.6-70.4-58.1-70.700114.4K216 Y251 V328 E330 D332 I333 P345 L347 K362K216-M335 WeakPolarHBondContact CE-O 3.33Å; Y251-M335 HydrophobicContact CD1-CE 4.15Å; Y251-M335 HydrophobicContact CD1-SD 4.37Å; Y251-M335 HydrophobicContact CD2-CE 3.61Å; Y251-M335 HydrophobicContact CD2-SD 4.19Å; Y251-M335 HydrophobicContact CE1-CE 4.31Å; Y251-M335 HydrophobicContact CE2-CE 3.76Å; Y251-M335 HydrophobicContact CG-CE 3.78Å; Y251-M335 HydrophobicContact CG-SD 3.89Å; V328-M335 HydrophobicContact CG1-CG 3.76Å; E330-M335 VanDerWaalsContact O-CB 3.31Å; E330-M335 WeakPolarHBondContact O-CB 3.47Å; D332-M335 WeakPolarHBondContact O-CA 3.36Å; D332-M335 WeakPolarHBondContact O-CB 3.17Å; D332-M335 PolarHBondContact O-N 2.77Å; I333-M335 PolarHBondContact O-N 3.09Å; M335-P345 HydrophobicContact SD-CB 4.4Å; M335-L347 HydrophobicContact CE-CD1 3.81Å; M335-L347 HydrophobicContact CE-CD2 4.03Å; M335-L347 HydrophobicContact CG-CD1 4.32Å; M335-L347 HydrophobicContact CG-CD2 4.38Å; M335-L347 HydrophobicContact SD-CD1 3.65Å; M335-L347 HydrophobicContact SD-CD2 4.49Å; M335-K362 WeakPolarHBondContact O-CE 3.47Å; M335-K362 PolarHBondContact O-NZ 3.37Å
336Q95.2Very high97.6Very high95 Ų9537.1 Ų37.144%0.44419%0.186SC..THydrogen-bonded Turntrans-84.2-56.8-177.9-58.1-52.1-4600112.8E331 D332 I333E331-Q336 VanDerWaalsContact C-NE2 3.32Å; E331-Q336 PolarHBondContact O-NE2 3.09Å; D332-Q336 PolarHBondContact O-NE2 3.04Å; I333-Q336 HydrophobicContact CD1-CG 4.41Å; I333-Q336 PolarHBondContact O-N 3.31Å
337D93.2Very high97.6Very high128 Ų12836.6 Ų36.668%0.68418%0.184SC*.SBendtrans-117.4168.5-177.6-74.3-44.8000111.6K216 I339K216-D337 WeakPolarHBondContact CD-O 3.37Å; K216-D337 PolarHBondContact NZ-O 2.91Å; D337-I339 PolarHBondContact O-N 3.02Å
338E97.1Very high97.6Very high44 Ų4435 Ų3521%0.20618%0.18CC..  trans-57.9132172.6-173.8178-148.500111.4G215 R295 F340G215-E338 PolarHBondContact N-OE1 3.3Å; R295-E338 PolarHBondContact NH1-O 3.12Å; R295-E338 VanDerWaalsContact NH1-O 3.13Å; E338-F340 HydrophobicContact CG-CB 4.26Å; E338-F340 HydrophobicContact CG-CD2 4.12Å; E338-F340 WeakPolarHBondContact OE1-CD2 3.31Å
339I98.5Very high97.6Very high1 Ų134.7 Ų34.71%0.00518%0.178CC..  trans-75.4-51.3-177.4-64178000109.6D250 R295 L296 D337 G341 I343 P345D250-I339 WeakPolarHBondContact O-CD1 3.46Å; D250-I339 WeakPolarHBondContact OD2-CB 3.33Å; D250-I339 PolarHBondContact OD2-N 3.24Å; R295-I339 PolarHBondContact NH1-O 3.48Å; R295-I339 VanDerWaalsContact NH1-O 3.13Å; R295-I339 PolarHBondContact NH2-O 2.9Å; L296-I339 HydrophobicContact CD2-CG2 3.97Å; L296-I339 VanDerWaalsContact CD2-O 3.24Å; L296-I339 WeakPolarHBondContact CD2-O 3.21Å; D337-I339 PolarHBondContact O-N 3.02Å; I339-G341 PolarHBondContact O-N 2.87Å; I339-I343 VanDerWaalsContact CD1-O 3.32Å; I339-I343 WeakPolarHBondContact CD1-O 3.36Å; I339-I343 HydrophobicContact CG2-CB 3.93Å; I339-P345 HydrophobicContact CD1-CG 3.34Å
340F98.4Very high97.6Very high25 Ų2536.8 Ų36.811%0.1118%0.182CC..  trans51.653.2-179.8-139.5-101.5000112.9W115 N116 G243 Q244 I245 E338W115-F340 AromaticContact CH2-CD1 3.58Å; W115-F340 HydrophobicContact CH2-CD1 3.58Å; W115-F340 AromaticContact CH2-CE1 3.34Å; W115-F340 HydrophobicContact CH2-CE1 3.34Å; W115-F340 AromaticContact CZ2-CD1 3.73Å; W115-F340 HydrophobicContact CZ2-CD1 3.73Å; W115-F340 AromaticContact CZ2-CE1 3.45Å; W115-F340 HydrophobicContact CZ2-CE1 3.45Å; W115-F340 VanDerWaalsContact CZ2-CE1 3.45Å; W115-F340 HydrophobicContact CZ3-CE1 4.12Å; N116-F340 HydrophobicContact CB-CE1 4.03Å; N116-F340 HydrophobicContact CB-CZ 4.07Å; N116-F340 WeakPolarHBondContact ND2-CZ 3.43Å; G243-F340 CarbonylContact O-C 3.52Å; Q244-F340 HydrophobicContact CB-CD1 3.81Å; Q244-F340 HydrophobicContact CB-CE1 3.74Å; Q244-F340 HydrophobicContact CG-CD1 4.22Å; I245-F340 VanDerWaalsContact C-CE2 3.47Å; E338-F340 HydrophobicContact CG-CB 4.26Å; E338-F340 HydrophobicContact CG-CD2 4.12Å; E338-F340 WeakPolarHBondContact OE1-CD2 3.31Å
341G98.7Very high97.7Very high0 Ų036.5 Ų36.50%019%0.185CC..SBendtrans-178.3177.4-173.700000112K238 C242 G243 I339 I343K238-G341 WeakPolarHBondContact CE-O 3.2Å; K238-G341 PolarHBondContact NZ-O 3Å; K238-G341 VanDerWaalsContact NZ-O 3.16Å; C242-G341 CarbonylContact O-C 3.51Å; C242-G341 VanDerWaalsContact O-CA 3.25Å; C242-G341 WeakPolarHBondContact O-CA 3.35Å; G243-G341 PolarHBondContact O-N 2.95Å; G243-G341 VanDerWaalsContact O-N 3.17Å; I339-G341 PolarHBondContact O-N 2.87Å; G341-I343 PolarHBondContact O-N 3.32Å
342P98.6Very high97.7Very high1 Ų130.8 Ų30.81%0.00616%0.161CC..SBendtrans-84.333.4-16937.3-39.5000112.9L239 C242 F284 I320 T323L239-P342 HydrophobicContact CD2-CB 4.38Å; C242-P342 VanDerWaalsContact O-CD 3.27Å; C242-P342 WeakPolarHBondContact O-CD 3.49Å; C242-P342 VanDerWaalsContact SG-CG 3.6Å; F284-P342 HydrophobicContact CZ-CB 3.99Å; F284-P342 HydrophobicContact CZ-CG 4.45Å; I320-P342 HydrophobicContact CB-CG 3.84Å; I320-P342 HydrophobicContact CG2-CG 3.87Å; I320-P342 WeakPolarHBondContact O-CG 3.22Å; T323-P342 PolarHBondContact N-O 3.03Å
343I98.9Very high97.7Very high0 Ų034.5 Ų34.50%019%0.187CC..EExtended strand (participates in β ladder)trans-112.2116.4-178.7-56.5163.1000109K238 L296 L300 T323 V325 L334 I339 G341 P345K238-I343 WeakPolarHBondContact CE-O 3.31Å; K238-I343 PolarHBondContact NZ-O 2.85Å; L296-I343 HydrophobicContact CB-CD1 4.13Å; L296-I343 HydrophobicContact CD2-CD1 3.98Å; L300-I343 HydrophobicContact CD1-CD1 3.89Å; L300-I343 HydrophobicContact CD1-CG1 4.17Å; L300-I343 HydrophobicContact CD2-CD1 3.81Å; L300-I343 HydrophobicContact CD2-CG1 3.98Å; L300-I343 HydrophobicContact CD2-CG2 3.73Å; L300-I343 HydrophobicContact CG-CD1 3.58Å; L300-I343 HydrophobicContact CG-CG1 4.16Å; T323-I343 CarbonylContact O-C 3.45Å; T323-I343 WeakPolarHBondContact O-CA 3.28Å; V325-I343 HydrophobicContact CG2-CG2 3.96Å; L334-I343 HydrophobicContact CD1-CG2 4.41Å; L334-I343 HydrophobicContact CD2-CG2 4.05Å; I339-I343 VanDerWaalsContact CD1-O 3.32Å; I339-I343 WeakPolarHBondContact CD1-O 3.36Å; I339-I343 HydrophobicContact CG2-CB 3.93Å; G341-I343 PolarHBondContact O-N 3.32Å; I343-P345 WeakPolarHBondContact O-CD 3.31Å
344L98.8Very high97.7Very high2 Ų233.6 Ų33.61%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-109.2104.2179.1-175.864.7000110.5I234 I235 K238 L252 T323 V324 V325I234-L344 HydrophobicContact CG2-CD2 4.01Å; I235-L344 HydrophobicContact CD1-CD2 4.28Å; K238-L344 HydrophobicContact CD-CB 4.35Å; K238-L344 HydrophobicContact CD-CD1 4.37Å; K238-L344 HydrophobicContact CG-CB 4.24Å; L252-L344 HydrophobicContact CB-CD1 4.27Å; L252-L344 HydrophobicContact CB-CD2 4.5Å; L252-L344 HydrophobicContact CB-CG 4.41Å; T323-L344 PolarHBondContact O-N 3.29Å; V324-L344 WeakPolarHBondContact CA-O 3.45Å; V324-L344 WeakPolarHBondContact CG1-O 3.42Å; V325-L344 PolarHBondContact N-O 3.24Å
345P98.7Very high97.7Very high0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-71.6138.7169.7-11.227.7000110.2D250 L252 V325 V328 L334 M335 I339 I343D250-P345 WeakPolarHBondContact O-CD 3.45Å; L252-P345 PolarHBondContact N-O 2.78Å; V325-P345 CarbonylContact O-C 3.53Å; V325-P345 WeakPolarHBondContact O-CA 3.38Å; V328-P345 HydrophobicContact CB-CB 4.27Å; V328-P345 HydrophobicContact CG1-CB 4.03Å; V328-P345 HydrophobicContact CG2-CB 3.97Å; L334-P345 HydrophobicContact CB-CB 4.31Å; L334-P345 HydrophobicContact CB-CG 3.8Å; L334-P345 HydrophobicContact CD1-CB 4.42Å; L334-P345 HydrophobicContact CD1-CG 4.21Å; M335-P345 HydrophobicContact SD-CB 4.4Å; I339-P345 HydrophobicContact CD1-CG 3.34Å; I343-P345 WeakPolarHBondContact O-CD 3.31Å
346V98.6Very high97.8Very high2 Ų234.4 Ų34.41%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-119.9120.7178.2-175.10000108.9L252 C254 L259 L262 V324 V325 F326 V328L252-V346 HydrophobicContact CB-CG2 4.31Å; L252-V346 HydrophobicContact CD2-CG1 4.39Å; L252-V346 HydrophobicContact CD2-CG2 4.26Å; L252-V346 WeakPolarHBondContact O-CA 3.38Å; C254-V346 HydrophobicContact CB-CG1 4.08Å; L259-V346 HydrophobicContact CD2-CG1 3.9Å; L262-V346 HydrophobicContact CD2-CG1 4.05Å; V324-V346 HydrophobicContact CG1-CG2 3.49Å; V324-V346 VanDerWaalsContact CG1-CG2 3.49Å; V325-V346 PolarHBondContact O-N 3.2Å; F326-V346 HydrophobicContact CD1-CB 4.1Å; F326-V346 HydrophobicContact CD1-CG1 4.1Å; F326-V346 HydrophobicContact CD1-CG2 4.48Å; F326-V346 HydrophobicContact CE1-CB 4.34Å; F326-V346 HydrophobicContact CE1-CG1 4.14Å; F326-V346 HydrophobicContact CE1-CG2 4.34Å; F326-V346 HydrophobicContact CG-CB 4.37Å; F326-V346 HydrophobicContact CZ-CG2 4.38Å; V328-V346 PolarHBondContact N-O 3.27Å
347L98.1Very high97.9Very high6 Ų635.6 Ų35.63%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-110.5132.1176.2-62.890.6000108.6Y251 L252 L253 C254 V328 E330 M335Y251-L347 HydrophobicContact CD2-CD1 4.07Å; L252-L347 PolarHBondContact O-N 3.01Å; L253-L347 HydrophobicContact CD2-CB 4.01Å; C254-L347 PolarHBondContact N-O 3.09Å; V328-L347 HydrophobicContact CB-CD1 4.49Å; V328-L347 HydrophobicContact CB-CG 4.23Å; V328-L347 HydrophobicContact CG1-CD1 4.4Å; V328-L347 HydrophobicContact CG1-CG 4.35Å; V328-L347 WeakPolarHBondContact O-CD2 3.27Å; V328-L347 VanDerWaalsContact O-CG 3.29Å; V328-L347 WeakPolarHBondContact O-CG 3.5Å; E330-L347 HydrophobicContact CG-CD2 4.2Å; M335-L347 HydrophobicContact CE-CD1 3.81Å; M335-L347 HydrophobicContact CE-CD2 4.03Å; M335-L347 HydrophobicContact CG-CD1 4.32Å; M335-L347 HydrophobicContact CG-CD2 4.38Å; M335-L347 HydrophobicContact SD-CD1 3.65Å; M335-L347 HydrophobicContact SD-CD2 4.49Å
348S97.4Very high98.2Very high61 Ų6129.7 Ų29.743%0.42716%0.155SC..EExtended strand (participates in β ladder)trans-77.1132.9171.8-171.30000110C254 L259C254-S348 WeakPolarHBondContact O-CA 3.42Å; L259-S348 VanDerWaalsContact CD1-CB 3.47Å; L259-S348 WeakPolarHBondContact CD1-OG 3.2Å
349V97.6Very high98.2Very high0 Ų027.8 Ų27.80%015%0.146CC..EExtended strand (participates in β ladder)trans-127.5149171.6-62.60000110.6Y220 L253 C254 H255 E256 E354 A355 I358Y220-V349 HydrophobicContact CD2-CG2 4.19Å; Y220-V349 HydrophobicContact CE2-CG2 3.78Å; L253-V349 HydrophobicContact CB-CG1 4.22Å; L253-V349 HydrophobicContact CB-CG2 4.37Å; L253-V349 HydrophobicContact CD2-CG1 3.85Å; C254-V349 PolarHBondContact O-N 2.85Å; H255-V349 WeakPolarHBondContact CA-O 3.45Å; E256-V349 PolarHBondContact N-O 3.39Å; E256-V349 VanDerWaalsContact N-O 3.11Å; V349-E354 HydrophobicContact CB-CB 4.48Å; V349-E354 HydrophobicContact CB-CG 4.04Å; V349-E354 HydrophobicContact CG1-CG 3.97Å; V349-A355 HydrophobicContact CG2-CB 4.36Å; V349-I358 HydrophobicContact CG1-CD1 3.76Å
350K96.8Very high98.2Very high147 Ų14731.8 Ų31.864%0.63917%0.167SC*.SBendtrans-89.2-19.7-179.2-62.3177.9-177.9175.10113E354K350-E354 WeakPolarHBondContact CB-OE2 3.47Å; K350-E354 PolarHBondContact N-OE2 3.17Å
351S97Very high98.2Very high40 Ų4034.2 Ų34.228%0.2819%0.187SC..SBendtrans-158.8160.9-175.365.90000113.1S353 E354 A355S351-S353 VanDerWaalsContact C-N 3.27Å; S351-S353 PolarHBondContact O-N 3.31Å; S351-E354 PolarHBondContact O-N 3.47Å; S351-E354 PolarHBondContact OG-N 2.7Å; S351-A355 PolarHBondContact O-N 2.93Å
352P97.9Very high98Very high24 Ų2436.7 Ų36.716%0.15620%0.198CC..Hα-helixtrans-53.3-40.2167.2-28.435.1000114Y220 E354 A355 I356 V377 F381Y220-P352 HydrophobicContact CE1-CG 4.32Å; Y220-P352 WeakPolarHBondContact OH-CD 3.45Å; Y220-P352 WeakPolarHBondContact OH-CG 3.33Å; P352-E354 VanDerWaalsContact C-N 3.31Å; P352-E354 PolarHBondContact O-N 3.27Å; P352-A355 WeakPolarHBondContact O-CB 3.32Å; P352-A355 PolarHBondContact O-N 3.4Å; P352-I356 WeakPolarHBondContact O-CG1 3.5Å; P352-I356 PolarHBondContact O-N 2.93Å; P352-V377 HydrophobicContact CB-CG1 3.89Å; P352-V377 HydrophobicContact CG-CG1 3.77Å; P352-V377 HydrophobicContact CG-CG2 3.97Å; P352-F381 HydrophobicContact CB-CE2 3.94Å
353S98.4Very high97.8Very high87 Ų8738.5 Ų38.561%0.60822%0.217SC*.Hα-helixtrans-64.9-35.9-179.1-52.50000112.5S351 I356 R357S351-S353 VanDerWaalsContact C-N 3.27Å; S351-S353 PolarHBondContact O-N 3.31Å; S353-I356 PolarHBondContact O-N 3.43Å; S353-R357 PolarHBondContact O-N 3.44Å
354E98.3Very high97.8Very high42 Ų4242.8 Ų42.820%0.19624%0.235CC..Hα-helixtrans-66.1-44.6172.6171.1158.4-121.700111.6V349 K350 S351 P352 I356 R357 I358V349-E354 HydrophobicContact CB-CB 4.48Å; V349-E354 HydrophobicContact CB-CG 4.04Å; V349-E354 HydrophobicContact CG1-CG 3.97Å; K350-E354 WeakPolarHBondContact CB-OE2 3.47Å; K350-E354 PolarHBondContact N-OE2 3.17Å; S351-E354 PolarHBondContact O-N 3.47Å; S351-E354 PolarHBondContact OG-N 2.7Å; P352-E354 VanDerWaalsContact C-N 3.31Å; P352-E354 PolarHBondContact O-N 3.27Å; E354-I356 VanDerWaalsContact C-N 3.3Å; E354-I356 PolarHBondContact O-N 2.91Å; E354-R357 WeakPolarHBondContact O-CB 3.36Å; E354-R357 PolarHBondContact O-N 3.48Å; E354-R357 VanDerWaalsContact O-N 3.14Å; E354-R357 IonicContact OE1-CZ 3.29Å; E354-R357 IonicContact OE1-NH1 3.1Å; E354-R357 PolarHBondContact OE1-NH1 2.76Å; E354-R357 VanDerWaalsContact OE1-NH1 3.13Å; E354-R357 IonicContact OE1-NH2 3.92Å; E354-R357 PolarHBondContact OE1-NH2 3.16Å; E354-I358 HydrophobicContact CG-CD1 4.13Å; E354-I358 WeakPolarHBondContact O-CG1 3.35Å; E354-I358 PolarHBondContact O-N 3.49Å
355A98.5Very high97.7Very high0 Ų042.8 Ų42.80%024%0.236CC..Hα-helixtrans-58-43.2174.300000112Y220 L253 V349 S351 P352 R357 I358 I359 F381Y220-A355 HydrophobicContact CD2-CB 3.42Å; Y220-A355 VanDerWaalsContact CD2-CB 3.42Å; Y220-A355 HydrophobicContact CE2-CB 3.87Å; Y220-A355 HydrophobicContact CG-CB 4.19Å; L253-A355 HydrophobicContact CB-CB 4.26Å; L253-A355 HydrophobicContact CD1-CB 3.83Å; V349-A355 HydrophobicContact CG2-CB 4.36Å; S351-A355 PolarHBondContact O-N 2.93Å; P352-A355 WeakPolarHBondContact O-CB 3.32Å; P352-A355 PolarHBondContact O-N 3.4Å; A355-R357 PolarHBondContact O-N 2.76Å; A355-I358 PolarHBondContact O-N 3.05Å; A355-I359 VanDerWaalsContact O-CG1 3.29Å; A355-I359 WeakPolarHBondContact O-CG1 3.43Å; A355-I359 PolarHBondContact O-N 3.05Å; A355-F381 HydrophobicContact CB-CE1 4.11Å; A355-F381 HydrophobicContact CB-CZ 3.78Å
356I98.8Very high97.7Very high17 Ų1743 Ų439%0.08724%0.237CC..Hα-helixtrans-60.3-42.6175.4-70.4165.4000111.4P352 S353 E354 I358 I359 N360 D380 F381 A384 T385P352-I356 WeakPolarHBondContact O-CG1 3.5Å; P352-I356 PolarHBondContact O-N 2.93Å; S353-I356 PolarHBondContact O-N 3.43Å; E354-I356 VanDerWaalsContact C-N 3.3Å; E354-I356 PolarHBondContact O-N 2.91Å; I356-I358 VanDerWaalsContact C-N 3.34Å; I356-I358 PolarHBondContact O-N 3.22Å; I356-I359 PolarHBondContact O-N 3.46Å; I356-N360 WeakPolarHBondContact O-CB 3.38Å; I356-N360 PolarHBondContact O-N 3.47Å; I356-N360 PolarHBondContact O-ND2 2.94Å; I356-D380 HydrophobicContact CD1-CB 4.15Å; I356-F381 HydrophobicContact CD1-CD1 4.37Å; I356-F381 HydrophobicContact CD1-CD2 4.19Å; I356-F381 HydrophobicContact CD1-CE2 4.4Å; I356-F381 HydrophobicContact CD1-CG 4.17Å; I356-F381 HydrophobicContact CG1-CD1 3.65Å; I356-F381 HydrophobicContact CG1-CD2 4.28Å; I356-F381 HydrophobicContact CG1-CE1 3.68Å; I356-F381 HydrophobicContact CG1-CE2 4.3Å; I356-F381 HydrophobicContact CG1-CG 3.97Å; I356-F381 HydrophobicContact CG1-CZ 4Å; I356-A384 HydrophobicContact CD1-CB 4.27Å; I356-A384 HydrophobicContact CG2-CB 3.63Å; I356-T385 HydrophobicContact CG1-CG2 4.31Å; I356-T385 HydrophobicContact CG2-CG2 4.18Å
357R98.5Very high97.7Very high120 Ų12042.9 Ų42.945%0.45324%0.236SC..Hα-helixtrans-56.5-48.4175.2-179.5-162.572.2-134.21.1111.1E330 S353 E354 A355 N360 S361E330-R357 IonicContact OE1-CZ 2.94Å; E330-R357 IonicContact OE1-NE 2.64Å; E330-R357 IonicContact OE1-NH2 3.13Å; E330-R357 PolarHBondContact OE1-NH2 3.15Å; S353-R357 PolarHBondContact O-N 3.44Å; E354-R357 WeakPolarHBondContact O-CB 3.36Å; E354-R357 PolarHBondContact O-N 3.48Å; E354-R357 VanDerWaalsContact O-N 3.14Å; E354-R357 IonicContact OE1-CZ 3.29Å; E354-R357 IonicContact OE1-NH1 3.1Å; E354-R357 PolarHBondContact OE1-NH1 2.76Å; E354-R357 VanDerWaalsContact OE1-NH1 3.13Å; E354-R357 IonicContact OE1-NH2 3.92Å; E354-R357 PolarHBondContact OE1-NH2 3.16Å; A355-R357 PolarHBondContact O-N 2.76Å; R357-N360 PolarHBondContact O-N 2.85Å; R357-S361 PolarHBondContact O-N 2.9Å
358I98.4Very high97.7Very high4 Ų442.6 Ų42.62%0.02124%0.235CC..Hα-helixtrans-64.1-43.5-178.4-62.6171.9000110.6L253 E330 V349 E354 A355 I356 N360 S361L253-I358 HydrophobicContact CD2-CB 4.24Å; L253-I358 HydrophobicContact CD2-CD1 3.75Å; L253-I358 HydrophobicContact CD2-CG2 3.96Å; E330-I358 HydrophobicContact CG-CD1 4.21Å; E330-I358 HydrophobicContact CG-CG1 4.22Å; E330-I358 HydrophobicContact CG-CG2 4.45Å; E330-I358 WeakPolarHBondContact OE1-CD1 3.43Å; E330-I358 WeakPolarHBondContact OE1-CG1 3.39Å; V349-I358 HydrophobicContact CG1-CD1 3.76Å; E354-I358 HydrophobicContact CG-CD1 4.13Å; E354-I358 WeakPolarHBondContact O-CG1 3.35Å; E354-I358 PolarHBondContact O-N 3.49Å; A355-I358 PolarHBondContact O-N 3.05Å; I356-I358 VanDerWaalsContact C-N 3.34Å; I356-I358 PolarHBondContact O-N 3.22Å; I358-N360 VanDerWaalsContact C-N 3.33Å; I358-N360 PolarHBondContact O-N 3.35Å; I358-S361 PolarHBondContact O-N 2.89Å; I358-S361 PolarHBondContact O-OG 3.12Å
359I98.5Very high97.8Very high5 Ų539.8 Ų39.83%0.02622%0.215CC..Hα-helixtrans-61.3-44.6177.5-67.1170.5000110.7P218 L253 A355 I356 S361 K362 V368 F381 T385P218-I359 HydrophobicContact CB-CD1 3.78Å; P218-I359 HydrophobicContact CB-CG1 3.72Å; P218-I359 HydrophobicContact CG-CD1 3.67Å; P218-I359 HydrophobicContact CG-CG1 3.73Å; P218-I359 HydrophobicContact CG-CG2 4.15Å; L253-I359 HydrophobicContact CD1-CD1 4.07Å; L253-I359 HydrophobicContact CD1-CG1 3.83Å; A355-I359 VanDerWaalsContact O-CG1 3.29Å; A355-I359 WeakPolarHBondContact O-CG1 3.43Å; A355-I359 PolarHBondContact O-N 3.05Å; I356-I359 PolarHBondContact O-N 3.46Å; I359-S361 VanDerWaalsContact C-N 3.29Å; I359-S361 PolarHBondContact O-N 3.34Å; I359-K362 PolarHBondContact O-N 3.45Å; I359-V368 HydrophobicContact CD1-CG1 4.4Å; I359-V368 HydrophobicContact CG2-CG2 4.43Å; I359-F381 HydrophobicContact CD1-CD1 4.08Å; I359-F381 HydrophobicContact CD1-CE1 3.72Å; I359-T385 HydrophobicContact CB-CG2 4.41Å; I359-T385 HydrophobicContact CG2-CG2 3.98Å
360N98.2Very high97.9Very high85 Ų8539.8 Ų39.846%0.45522%0.215SC..Hα-helixtrans-73.7-16.2-177.7-73.4-19.2000114.2I356 R357 I358 K362 A384I356-N360 WeakPolarHBondContact O-CB 3.38Å; I356-N360 PolarHBondContact O-N 3.47Å; I356-N360 PolarHBondContact O-ND2 2.94Å; R357-N360 PolarHBondContact O-N 2.85Å; I358-N360 VanDerWaalsContact C-N 3.33Å; I358-N360 PolarHBondContact O-N 3.35Å; N360-K362 VanDerWaalsContact C-N 3.26Å; N360-A384 PolarHBondContact ND2-O 3.14Å; N360-A384 PolarHBondContact OD1-O 3.22Å
361S96.9Very high98Very high75 Ų7532.9 Ų32.952%0.52419%0.185SC..THydrogen-bonded Turntrans-78.7-11.7174.276.60000112.9R357 I358 I359R357-S361 PolarHBondContact O-N 2.9Å; I358-S361 PolarHBondContact O-N 2.89Å; I358-S361 PolarHBondContact O-OG 3.12Å; I359-S361 VanDerWaalsContact C-N 3.29Å; I359-S361 PolarHBondContact O-N 3.34Å
362K95.3Very high98Very high53 Ų5331 Ų3123%0.2317%0.172CC..SBendtrans-102.6174.4178.7-54.4-64.3-174.2-165.10111.5E330 M335 I359 N360E330-K362 PolarHBondContact O-NZ 2.89Å; M335-K362 WeakPolarHBondContact O-CE 3.47Å; M335-K362 PolarHBondContact O-NZ 3.37Å; I359-K362 PolarHBondContact O-N 3.45Å; N360-K362 VanDerWaalsContact C-N 3.26Å
363G94.4Very high98Very high39 Ų3938 Ų3840%0.40220%0.195SC..PPolyproline II helixtrans-64.8143.4170.200000111.6P365G363-P365 WeakPolarHBondContact O-CD 3.13Å; G363-P365 VanDerWaalsContact O-N 3.15Å
364K98.3Very high97.9Very high89 Ų8937.2 Ų37.239%0.38718%0.184SC..PPolyproline II helixtrans-54.1117.7177.7-66.2-177.2179.2-162.50110.6S386 I409 S412K364-S386 WeakPolarHBondContact CD-OG 3.41Å; K364-S386 WeakPolarHBondContact CE-OG 3.27Å; K364-S386 PolarHBondContact NZ-OG 2.97Å; K364-I409 HydrophobicContact CB-CG2 4.23Å; K364-I409 VanDerWaalsContact CB-O 3.3Å; K364-I409 WeakPolarHBondContact CB-O 3.39Å; K364-I409 HydrophobicContact CD-CG1 4.34Å; K364-I409 HydrophobicContact CD-CG2 4.07Å; K364-S412 VanDerWaalsContact O-CB 3.28Å; K364-S412 WeakPolarHBondContact O-CB 3.26Å; K364-S412 PolarHBondContact O-N 3.47Å; K364-S412 PolarHBondContact O-OG 3.4Å; K364-S412 VanDerWaalsContact O-OG 3.14Å
365P98.1Very high97.9Very high3 Ų342.8 Ų42.82%0.01921%0.207CC..PPolyproline II helixtrans-81.2170.8-174.133.6-36.9000112K216 P218 G363 V368 S387 G388 S412K216-P365 WeakPolarHBondContact O-CB 3.26Å; P218-P365 HydrophobicContact CG-CG 4.46Å; G363-P365 WeakPolarHBondContact O-CD 3.13Å; G363-P365 VanDerWaalsContact O-N 3.15Å; P365-V368 HydrophobicContact CG-CG2 3.77Å; P365-S387 WeakPolarHBondContact O-CA 2.74Å; P365-S387 WeakPolarHBondContact O-CB 3.39Å; P365-G388 PolarHBondContact O-N 3.47Å; P365-S412 VanDerWaalsContact C-CB 3.48Å; P365-S412 PolarHBondContact O-OG 3.45Å; P365-S412 VanDerWaalsContact O-OG 3.08Å
366L98.1Very high97.9Very high4 Ų446 Ų462%0.02123%0.23CC..SBendtrans-72.6-32.8174.8-169.757.4000111.5C246 V247 G388 A389 F406C246-L366 HydrophobicContact CB-CD2 3.66Å; V247-L366 HydrophobicContact CG1-CB 4.37Å; V247-L366 HydrophobicContact CG1-CD2 3.5Å; V247-L366 HydrophobicContact CG1-CG 3.79Å; L366-G388 CarbonylContact O-C 3.59Å; L366-G388 WeakPolarHBondContact O-CA 3.28Å; L366-G388 PolarHBondContact O-N 3.2Å; L366-A389 PolarHBondContact O-N 3.31Å; L366-F406 HydrophobicContact CD2-CE1 4.47Å; L366-F406 HydrophobicContact CD2-CZ 3.85Å; L366-F406 HydrophobicContact CG-CZ 4.46Å
367A98.5Very high97.8Very high0 Ų045.8 Ų45.80%023%0.229CC..EExtended strand (participates in β ladder)trans-143.2152.917500000112.4C217 P218 Y369 A389C217-A367 WeakPolarHBondContact CA-O 3.37Å; C217-A367 HydrophobicContact CB-CB 4.48Å; C217-A367 WeakPolarHBondContact CB-O 3.47Å; C217-A367 PolarHBondContact SG-N 3.09Å; P218-A367 WeakPolarHBondContact CD-O 3.41Å; A367-Y369 HydrophobicContact CB-CE1 3.78Å; A367-Y369 HydrophobicContact CB-CE2 4.1Å; A367-Y369 VanDerWaalsContact CB-CZ 3.49Å; A367-Y369 WeakPolarHBondContact CB-OH 3.46Å; A367-A389 CarbonylContact C-O 3.52Å; A367-A389 VanDerWaalsContact CA-O 3.29Å; A367-A389 WeakPolarHBondContact CA-O 3.48Å
368V98.8Very high97.8Very high0 Ų041.6 Ų41.60%021%0.214CC..EExtended strand (participates in β ladder)trans-122.5130.4168.4170.60000108.7P218 I359 P365 V370 A389 I390 M391P218-V368 HydrophobicContact CG-CB 4.23Å; P218-V368 HydrophobicContact CG-CG1 4.18Å; P218-V368 HydrophobicContact CG-CG2 3.77Å; I359-V368 HydrophobicContact CD1-CG1 4.4Å; I359-V368 HydrophobicContact CG2-CG2 4.43Å; P365-V368 HydrophobicContact CG-CG2 3.77Å; V368-V370 HydrophobicContact CG1-CG2 4.04Å; V368-A389 PolarHBondContact N-O 3.28Å; V368-I390 HydrophobicContact CB-CB 4.48Å; V368-I390 HydrophobicContact CB-CD1 4.37Å; V368-I390 HydrophobicContact CB-CG1 4.1Å; V368-I390 HydrophobicContact CG1-CD1 4.06Å; V368-I390 HydrophobicContact CG1-CG1 4.13Å; V368-I390 WeakPolarHBondContact O-CA 3.44Å; V368-M391 PolarHBondContact O-N 3.44Å
369Y98.8Very high97.9Very high1 Ų145.1 Ų45.10%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-115.9131.3-179.7-52.8-58000110.9C217 P218 V219 Y220 V247 A367 M391 D394 C395 S396 H398C217-Y369 HydrophobicContact CB-CE2 4.12Å; P218-Y369 PolarHBondContact O-N 3.19Å; V219-Y369 CarbonylContact C-O 3.59Å; V219-Y369 WeakPolarHBondContact CA-O 3.4Å; V219-Y369 HydrophobicContact CG2-CD2 3.85Å; V219-Y369 HydrophobicContact CG2-CG 4.42Å; Y220-Y369 PolarHBondContact N-O 2.9Å; V247-Y369 WeakPolarHBondContact O-CE2 3.37Å; V247-Y369 PolarHBondContact O-OH 3.31Å; A367-Y369 HydrophobicContact CB-CE1 3.78Å; A367-Y369 HydrophobicContact CB-CE2 4.1Å; A367-Y369 VanDerWaalsContact CB-CZ 3.49Å; A367-Y369 WeakPolarHBondContact CB-OH 3.46Å; Y369-M391 HydrophobicContact CD1-CB 4.1Å; Y369-D394 WeakPolarHBondContact CD1-O 3.42Å; Y369-C395 HydrophobicContact CD1-CB 4.45Å; Y369-C395 HydrophobicContact CD2-CB 4.28Å; Y369-C395 HydrophobicContact CE2-CB 4.3Å; Y369-C395 HydrophobicContact CG-CB 4.33Å; Y369-S396 VanDerWaalsContact CZ-N 3.33Å; Y369-S396 WeakPolarHBondContact OH-CA 3.48Å; Y369-S396 PolarHBondContact OH-N 3.07Å; Y369-S396 VanDerWaalsContact OH-N 3.08Å; Y369-H398 PolarHBondContact OH-CE1 2.96Å
370V98.7Very high97.9Very high0 Ų048.6 Ų48.60%025%0.252CS..EExtended strand (participates in β ladder)trans-130.7107.3-175.5-171.80000109.5Y220 V368 T372 F378 F381 I390 M391 M392 N393Y220-V370 HydrophobicContact CD1-CG1 3.97Å; V368-V370 HydrophobicContact CG1-CG2 4.04Å; V370-T372 HydrophobicContact CG1-CG2 3.89Å; V370-F378 HydrophobicContact CB-CD2 3.82Å; V370-F378 HydrophobicContact CB-CE2 4.26Å; V370-F378 HydrophobicContact CG1-CD2 4.16Å; V370-F378 HydrophobicContact CG2-CD2 4.1Å; V370-F378 HydrophobicContact CG2-CE2 4.3Å; V370-F381 HydrophobicContact CG1-CD2 3.75Å; V370-F381 HydrophobicContact CG1-CE2 3.96Å; V370-F381 HydrophobicContact CG1-CG 4.21Å; V370-F381 HydrophobicContact CG2-CB 3.85Å; V370-F381 HydrophobicContact CG2-CD1 3.88Å; V370-F381 HydrophobicContact CG2-CD2 4.11Å; V370-F381 HydrophobicContact CG2-CE1 4.46Å; V370-F381 HydrophobicContact CG2-CG 3.7Å; V370-I390 HydrophobicContact CG2-CD1 4.43Å; V370-M391 PolarHBondContact N-O 3.46Å; V370-M392 CarbonylContact O-C 3.59Å; V370-M392 VanDerWaalsContact O-CA 3.26Å; V370-M392 WeakPolarHBondContact O-CA 3.34Å; V370-N393 PolarHBondContact O-N 3.4Å
371F98.7Very high97.9Very high3 Ų344.5 Ų44.51%0.01323%0.23CC..EExtended strand (participates in β ladder)trans-92.4109.1172.6-68.8-100.8000108.9V219 Y220 I221 D222 V225 A230 R233 I234 N393 C395V219-F371 HydrophobicContact CG1-CD2 3.6Å; V219-F371 HydrophobicContact CG1-CE2 3.64Å; Y220-F371 PolarHBondContact O-N 3.13Å; I221-F371 HydrophobicContact CB-CB 4.33Å; I221-F371 HydrophobicContact CG1-CB 4.08Å; D222-F371 VanDerWaalsContact CB-O 3.28Å; D222-F371 WeakPolarHBondContact CB-O 3.38Å; D222-F371 PolarHBondContact N-O 3.45Å; V225-F371 VanDerWaalsContact CG1-C 3.45Å; V225-F371 HydrophobicContact CG1-CB 4.16Å; V225-F371 WeakPolarHBondContact CG1-O 3.31Å; A230-F371 HydrophobicContact CB-CB 4.39Å; A230-F371 HydrophobicContact CB-CD1 3.49Å; A230-F371 VanDerWaalsContact CB-CD1 3.49Å; A230-F371 HydrophobicContact CB-CE1 3.98Å; A230-F371 HydrophobicContact CB-CG 4.08Å; R233-F371 HydrophobicContact CB-CE1 4.06Å; R233-F371 HydrophobicContact CB-CZ 4Å; I234-F371 HydrophobicContact CD1-CD2 4.08Å; I234-F371 HydrophobicContact CD1-CE2 3.89Å; I234-F371 HydrophobicContact CD1-CZ 4.25Å; I234-F371 HydrophobicContact CG1-CD2 4.29Å; I234-F371 HydrophobicContact CG1-CE2 3.59Å; I234-F371 HydrophobicContact CG1-CZ 3.72Å; F371-N393 VanDerWaalsContact CA-OD1 3.28Å; F371-N393 WeakPolarHBondContact CA-OD1 3.46Å; F371-N393 HydrophobicContact CD1-CB 4.44Å; F371-N393 VanDerWaalsContact CE1-O 3.22Å; F371-N393 WeakPolarHBondContact CE1-O 3.23Å; F371-C395 WeakPolarHBondContact CE2-SG 3.4Å
372T98.1Very high98Very high0 Ų045.8 Ų45.80%023%0.226CC..  trans-157.8152.9177.7-178.80000108.9D222 D224 V225 V370 N374 V377 F378 M392 N393D222-T372 PolarHBondContact OD2-OG1 3.05Å; D224-T372 PolarHBondContact OD1-OG1 3.3Å; V225-T372 VanDerWaalsContact CG1-CA 3.49Å; V370-T372 HydrophobicContact CG1-CG2 3.89Å; T372-N374 WeakPolarHBondContact CG2-O 3.16Å; T372-N374 PolarHBondContact OG1-N 2.89Å; T372-V377 HydrophobicContact CG2-CB 4.17Å; T372-V377 HydrophobicContact CG2-CG1 4.08Å; T372-F378 HydrophobicContact CG2-CB 4.2Å; T372-M392 HydrophobicContact CG2-CE 3.85Å; T372-M392 WeakPolarHBondContact O-CE 3.5Å; T372-N393 PolarHBondContact N-OD1 2.91Å; T372-N393 PolarHBondContact O-ND2 3.06Å; T372-N393 PolarHBondContact O-OD1 3.41Å; T372-N393 VanDerWaalsContact O-OD1 3.05Å
373R97.6Very high98.1Very high171 Ų17151 Ų5165%0.64525%0.254SS*.SBendtrans-90.9-14.4165.2-70.3-175.2-178.3166.1-3112D224 K375D224-R373 WeakPolarHBondContact O-CD 3.49Å; D224-R373 WeakPolarHBondContact O-CG 3.41Å; D224-R373 PolarHBondContact OD1-N 3Å; R373-K375 PolarHBondContact O-N 3.45Å
374N97.1Very high98.3Very high70 Ų7051.3 Ų51.337%0.37425%0.252SS..  trans-84.3109.5-179.3-171-20.9000112D224 T372 S376 V377 F378D224-N374 PolarHBondContact OD2-N 2.74Å; T372-N374 WeakPolarHBondContact CG2-O 3.16Å; T372-N374 PolarHBondContact OG1-N 2.89Å; N374-S376 PolarHBondContact O-N 3.08Å; N374-S376 WeakPolarHBondContact OD1-CA 3.33Å; N374-S376 WeakPolarHBondContact OD1-CB 3.19Å; N374-S376 PolarHBondContact OD1-N 2.63Å; N374-V377 HydrophobicContact CB-CB 4.12Å; N374-V377 HydrophobicContact CB-CG2 3.81Å; N374-V377 WeakPolarHBondContact O-CB 3.38Å; N374-V377 PolarHBondContact O-N 3.37Å; N374-V377 PolarHBondContact OD1-N 3.02Å; N374-F378 PolarHBondContact O-N 3.18Å
375K97.6Very high98.3Very high160 Ų16048 Ų4870%0.69624%0.239SC*.Hα-helixtrans-63.1-27.2177.5-67.5-177.5179.7177.90113.6R373 N379R373-K375 PolarHBondContact O-N 3.45Å; K375-N379 WeakPolarHBondContact O-CB 3.47Å; K375-N379 PolarHBondContact O-N 3.41Å
376S98.1Very high98.3Very high67 Ų6749.8 Ų49.847%0.46925%0.252SS..Hα-helixtrans-65.8-46.5175.1-165.30000110.3N374 F378 N379 D380N374-S376 PolarHBondContact O-N 3.08Å; N374-S376 WeakPolarHBondContact OD1-CA 3.33Å; N374-S376 WeakPolarHBondContact OD1-CB 3.19Å; N374-S376 PolarHBondContact OD1-N 2.63Å; S376-F378 VanDerWaalsContact C-N 3.33Å; S376-F378 PolarHBondContact O-N 3.46Å; S376-N379 WeakPolarHBondContact O-CB 3.5Å; S376-N379 PolarHBondContact O-N 2.74Å; S376-N379 VanDerWaalsContact O-N 3.09Å; S376-D380 VanDerWaalsContact O-CG 3.28Å; S376-D380 PolarHBondContact O-N 2.93Å
377V98.3Very high98.4Very high13 Ų1350.8 Ų50.88%0.07926%0.259CS..Hα-helixtrans-56.4-49.1176.1172.30000110.1Y220 P352 T372 N374 N379 D380 F381Y220-V377 HydrophobicContact CE1-CG1 4.14Å; P352-V377 HydrophobicContact CB-CG1 3.89Å; P352-V377 HydrophobicContact CG-CG1 3.77Å; P352-V377 HydrophobicContact CG-CG2 3.97Å; T372-V377 HydrophobicContact CG2-CB 4.17Å; T372-V377 HydrophobicContact CG2-CG1 4.08Å; N374-V377 HydrophobicContact CB-CB 4.12Å; N374-V377 HydrophobicContact CB-CG2 3.81Å; N374-V377 WeakPolarHBondContact O-CB 3.38Å; N374-V377 PolarHBondContact O-N 3.37Å; N374-V377 PolarHBondContact OD1-N 3.02Å; V377-N379 VanDerWaalsContact C-N 3.31Å; V377-N379 PolarHBondContact O-N 3.12Å; V377-D380 WeakPolarHBondContact O-CB 3.33Å; V377-D380 PolarHBondContact O-N 2.98Å; V377-D380 VanDerWaalsContact O-N 3.12Å; V377-F381 HydrophobicContact CG1-CD2 4.06Å; V377-F381 HydrophobicContact CG1-CE2 3.84Å; V377-F381 VanDerWaalsContact O-CD2 3.32Å; V377-F381 WeakPolarHBondContact O-CD2 3.27Å; V377-F381 PolarHBondContact O-N 3.39Å; V377-F381 VanDerWaalsContact O-N 3.15Å
378F98.5Very high98.3Very high31 Ų3152.4 Ų52.414%0.13628%0.276CS..Hα-helixtrans-60-39.8177.3-177.4-117.9000113.2V370 T372 N374 S376 D380 F381 K382 I390 M392V370-F378 HydrophobicContact CB-CD2 3.82Å; V370-F378 HydrophobicContact CB-CE2 4.26Å; V370-F378 HydrophobicContact CG1-CD2 4.16Å; V370-F378 HydrophobicContact CG2-CD2 4.1Å; V370-F378 HydrophobicContact CG2-CE2 4.3Å; T372-F378 HydrophobicContact CG2-CB 4.2Å; N374-F378 PolarHBondContact O-N 3.18Å; S376-F378 VanDerWaalsContact C-N 3.33Å; S376-F378 PolarHBondContact O-N 3.46Å; F378-D380 VanDerWaalsContact C-N 3.33Å; F378-F381 PolarHBondContact O-N 2.92Å; F378-K382 HydrophobicContact CD1-CD 3.86Å; F378-K382 HydrophobicContact CD1-CG 4.38Å; F378-K382 HydrophobicContact CE1-CD 3.43Å; F378-K382 VanDerWaalsContact CE1-CD 3.43Å; F378-K382 HydrophobicContact CE1-CG 3.99Å; F378-K382 HydrophobicContact CE2-CG 4.37Å; F378-K382 HydrophobicContact CZ-CD 3.88Å; F378-K382 HydrophobicContact CZ-CG 3.98Å; F378-K382 WeakPolarHBondContact O-CG 3.42Å; F378-K382 PolarHBondContact O-N 3.46Å; F378-I390 HydrophobicContact CE2-CD1 4.14Å; F378-I390 HydrophobicContact CE2-CG1 3.86Å; F378-I390 HydrophobicContact CZ-CG1 4.26Å; F378-M392 HydrophobicContact CB-CE 4.32Å; F378-M392 HydrophobicContact CB-CG 4.26Å; F378-M392 HydrophobicContact CB-SD 3.82Å; F378-M392 HydrophobicContact CD1-CB 4.14Å; F378-M392 HydrophobicContact CD1-CG 4.34Å; F378-M392 HydrophobicContact CD1-SD 3.86Å; F378-M392 HydrophobicContact CD2-CB 3.72Å; F378-M392 HydrophobicContact CD2-CG 3.9Å; F378-M392 HydrophobicContact CD2-SD 4.37Å; F378-M392 HydrophobicContact CE1-CB 4.03Å; F378-M392 HydrophobicContact CE2-CB 3.62Å; F378-M392 HydrophobicContact CE2-CG 4.32Å; F378-M392 HydrophobicContact CG-CB 3.98Å; F378-M392 HydrophobicContact CG-CG 3.91Å; F378-M392 HydrophobicContact CG-SD 3.75Å; F378-M392 HydrophobicContact CZ-CB 3.79Å
379N98.6Very high98.3Very high79 Ų7953.6 Ų53.642%0.42229%0.286SS..Hα-helixtrans-64.9-36.7175.7-83.6-13.2000112.2K375 S376 V377 K382 M383K375-N379 WeakPolarHBondContact O-CB 3.47Å; K375-N379 PolarHBondContact O-N 3.41Å; S376-N379 WeakPolarHBondContact O-CB 3.5Å; S376-N379 PolarHBondContact O-N 2.74Å; S376-N379 VanDerWaalsContact O-N 3.09Å; V377-N379 VanDerWaalsContact C-N 3.31Å; V377-N379 PolarHBondContact O-N 3.12Å; N379-K382 WeakPolarHBondContact O-CB 3.48Å; N379-K382 PolarHBondContact O-N 3.47Å; N379-M383 WeakPolarHBondContact O-CB 3.3Å; N379-M383 VanDerWaalsContact O-CG 3.31Å; N379-M383 WeakPolarHBondContact O-CG 3.4Å; N379-M383 PolarHBondContact O-N 3.06Å
380D98.6Very high98.3Very high77 Ų7756.2 Ų56.241%0.41230%0.299SS..Hα-helixtrans-61.7-46.2175.6-62.6-27.4000110.8I356 S376 V377 F378 K382 M383 A384I356-D380 HydrophobicContact CD1-CB 4.15Å; S376-D380 VanDerWaalsContact O-CG 3.28Å; S376-D380 PolarHBondContact O-N 2.93Å; V377-D380 WeakPolarHBondContact O-CB 3.33Å; V377-D380 PolarHBondContact O-N 2.98Å; V377-D380 VanDerWaalsContact O-N 3.12Å; F378-D380 VanDerWaalsContact C-N 3.33Å; D380-K382 PolarHBondContact O-N 3.1Å; D380-M383 PolarHBondContact O-N 3.43Å; D380-A384 WeakPolarHBondContact O-CB 3.31Å; D380-A384 PolarHBondContact O-N 3.02Å
381F98.8Very high98.2Very high0 Ų057.5 Ų57.50%031%0.305CS..Hα-helixtrans-59.1-45.3173.3-81.7-92.3000112Y220 P352 A355 I356 I359 V370 V377 F378 M383 A384 T385 I390Y220-F381 AromaticContact CD1-CE2 3.61Å; Y220-F381 HydrophobicContact CD1-CE2 3.61Å; Y220-F381 AromaticContact CD1-CZ 3.55Å; Y220-F381 HydrophobicContact CD1-CZ 3.55Å; Y220-F381 AromaticContact CD2-CZ 3.96Å; Y220-F381 HydrophobicContact CD2-CZ 3.96Å; Y220-F381 AromaticContact CE1-CE2 3.98Å; Y220-F381 HydrophobicContact CE1-CE2 3.98Å; Y220-F381 HydrophobicContact CE1-CZ 4.16Å; Y220-F381 HydrophobicContact CG-CE1 4.23Å; Y220-F381 HydrophobicContact CG-CE2 4.01Å; Y220-F381 AromaticContact CG-CZ 3.42Å; Y220-F381 HydrophobicContact CG-CZ 3.42Å; Y220-F381 VanDerWaalsContact CG-CZ 3.42Å; P352-F381 HydrophobicContact CB-CE2 3.94Å; A355-F381 HydrophobicContact CB-CE1 4.11Å; A355-F381 HydrophobicContact CB-CZ 3.78Å; I356-F381 HydrophobicContact CD1-CD1 4.37Å; I356-F381 HydrophobicContact CD1-CD2 4.19Å; I356-F381 HydrophobicContact CD1-CE2 4.4Å; I356-F381 HydrophobicContact CD1-CG 4.17Å; I356-F381 HydrophobicContact CG1-CD1 3.65Å; I356-F381 HydrophobicContact CG1-CD2 4.28Å; I356-F381 HydrophobicContact CG1-CE1 3.68Å; I356-F381 HydrophobicContact CG1-CE2 4.3Å; I356-F381 HydrophobicContact CG1-CG 3.97Å; I356-F381 HydrophobicContact CG1-CZ 4Å; I359-F381 HydrophobicContact CD1-CD1 4.08Å; I359-F381 HydrophobicContact CD1-CE1 3.72Å; V370-F381 HydrophobicContact CG1-CD2 3.75Å; V370-F381 HydrophobicContact CG1-CE2 3.96Å; V370-F381 HydrophobicContact CG1-CG 4.21Å; V370-F381 HydrophobicContact CG2-CB 3.85Å; V370-F381 HydrophobicContact CG2-CD1 3.88Å; V370-F381 HydrophobicContact CG2-CD2 4.11Å; V370-F381 HydrophobicContact CG2-CE1 4.46Å; V370-F381 HydrophobicContact CG2-CG 3.7Å; V377-F381 HydrophobicContact CG1-CD2 4.06Å; V377-F381 HydrophobicContact CG1-CE2 3.84Å; V377-F381 VanDerWaalsContact O-CD2 3.32Å; V377-F381 WeakPolarHBondContact O-CD2 3.27Å; V377-F381 PolarHBondContact O-N 3.39Å; V377-F381 VanDerWaalsContact O-N 3.15Å; F378-F381 PolarHBondContact O-N 2.92Å; F381-M383 VanDerWaalsContact C-N 3.3Å; F381-M383 PolarHBondContact O-N 2.78Å; F381-A384 PolarHBondContact O-N 2.86Å; F381-T385 HydrophobicContact CD1-CG2 4.33Å; F381-T385 WeakPolarHBondContact O-CB 3.35Å; F381-T385 PolarHBondContact O-N 3.47Å; F381-T385 PolarHBondContact O-OG1 3.39Å; F381-I390 HydrophobicContact CB-CD1 4.1Å
382K98.2Very high98.2Very high102 Ų10260 Ų6044%0.44332%0.318SS..Hα-helixtrans-59.1-39.3178-79.3178.755.4-174.20113.2F378 N379 D380 I390F378-K382 HydrophobicContact CD1-CD 3.86Å; F378-K382 HydrophobicContact CD1-CG 4.38Å; F378-K382 HydrophobicContact CE1-CD 3.43Å; F378-K382 VanDerWaalsContact CE1-CD 3.43Å; F378-K382 HydrophobicContact CE1-CG 3.99Å; F378-K382 HydrophobicContact CE2-CG 4.37Å; F378-K382 HydrophobicContact CZ-CD 3.88Å; F378-K382 HydrophobicContact CZ-CG 3.98Å; F378-K382 WeakPolarHBondContact O-CG 3.42Å; F378-K382 PolarHBondContact O-N 3.46Å; N379-K382 WeakPolarHBondContact O-CB 3.48Å; N379-K382 PolarHBondContact O-N 3.47Å; D380-K382 PolarHBondContact O-N 3.1Å; K382-I390 HydrophobicContact CB-CD1 4.44Å; K382-I390 HydrophobicContact CG-CD1 3.84Å; K382-I390 HydrophobicContact CG-CG2 4.07Å
383M98.5Very high98.2Very high163 Ų16362.1 Ų62.180%0.80333%0.329SS*.Hα-helixtrans-84.2-29.9-176.1-67.9-56.4-59.700112.6N379 D380 F381N379-M383 WeakPolarHBondContact O-CB 3.3Å; N379-M383 VanDerWaalsContact O-CG 3.31Å; N379-M383 WeakPolarHBondContact O-CG 3.4Å; N379-M383 PolarHBondContact O-N 3.06Å; D380-M383 PolarHBondContact O-N 3.43Å; F381-M383 VanDerWaalsContact C-N 3.3Å; F381-M383 PolarHBondContact O-N 2.78Å
384A98.5Very high98.2Very high45 Ų4555.6 Ų55.637%0.37231%0.307SS..Hα-helixtrans-101.4-8.4-172.200000114.4I356 N360 D380 F381I356-A384 HydrophobicContact CD1-CB 4.27Å; I356-A384 HydrophobicContact CG2-CB 3.63Å; N360-A384 PolarHBondContact ND2-O 3.14Å; N360-A384 PolarHBondContact OD1-O 3.22Å; D380-A384 WeakPolarHBondContact O-CB 3.31Å; D380-A384 PolarHBondContact O-N 3.02Å; F381-A384 PolarHBondContact O-N 2.86Å
385T98.6Very high98.3Very high19 Ų1952.4 Ų52.412%0.11729%0.29CS..  trans-119165.8178.370.10000112.1I356 I359 F381I356-T385 HydrophobicContact CG1-CG2 4.31Å; I356-T385 HydrophobicContact CG2-CG2 4.18Å; I359-T385 HydrophobicContact CB-CG2 4.41Å; I359-T385 HydrophobicContact CG2-CG2 3.98Å; F381-T385 HydrophobicContact CD1-CG2 4.33Å; F381-T385 WeakPolarHBondContact O-CB 3.35Å; F381-T385 PolarHBondContact O-N 3.47Å; F381-T385 PolarHBondContact O-OG1 3.39Å
386S98.5Very high98.2Very high40 Ų4045.3 Ų45.328%0.2826%0.261SS..  trans-137.8124.2177.3-176.40000110.1K364K364-S386 WeakPolarHBondContact CD-OG 3.41Å; K364-S386 WeakPolarHBondContact CE-OG 3.27Å; K364-S386 PolarHBondContact NZ-OG 2.97Å
387S98.5Very high98Very high25 Ų2544.4 Ų44.418%0.17525%0.252CS..  trans-151.6169.8-177.356.80000110.9P365 A389P365-S387 WeakPolarHBondContact O-CA 2.74Å; P365-S387 WeakPolarHBondContact O-CB 3.39Å; S387-A389 WeakPolarHBondContact CB-O 3.22Å; S387-A389 PolarHBondContact OG-O 2.82Å
388G98Very high97.9Very high34 Ų3444.3 Ų44.335%0.35125%0.251SS..SBendtrans-63.6-45.6172.600000112.4P365 L366 G407P365-G388 PolarHBondContact O-N 3.47Å; L366-G388 CarbonylContact O-C 3.59Å; L366-G388 WeakPolarHBondContact O-CA 3.28Å; L366-G388 PolarHBondContact O-N 3.2Å; G388-G407 WeakPolarHBondContact CA-O 3.49Å
389A98.2Very high97.6Very high25 Ų2544.8 Ų44.821%0.20726%0.257CS..EExtended strand (participates in β ladder)trans-135.3158.217300000111.8L366 A367 V368 S387L366-A389 PolarHBondContact O-N 3.31Å; A367-A389 CarbonylContact C-O 3.52Å; A367-A389 VanDerWaalsContact CA-O 3.29Å; A367-A389 WeakPolarHBondContact CA-O 3.48Å; V368-A389 PolarHBondContact N-O 3.28Å; S387-A389 WeakPolarHBondContact CB-O 3.22Å; S387-A389 PolarHBondContact OG-O 2.82Å
390I98.4Very high97.1Very high56 Ų5645.4 Ų45.429%0.28726%0.259SS..EExtended strand (participates in β ladder)trans-135.9139.4170.2-172.9167.4000109.8V368 V370 F378 F381 K382V368-I390 HydrophobicContact CB-CB 4.48Å; V368-I390 HydrophobicContact CB-CD1 4.37Å; V368-I390 HydrophobicContact CB-CG1 4.1Å; V368-I390 HydrophobicContact CG1-CD1 4.06Å; V368-I390 HydrophobicContact CG1-CG1 4.13Å; V368-I390 WeakPolarHBondContact O-CA 3.44Å; V370-I390 HydrophobicContact CG2-CD1 4.43Å; F378-I390 HydrophobicContact CE2-CD1 4.14Å; F378-I390 HydrophobicContact CE2-CG1 3.86Å; F378-I390 HydrophobicContact CZ-CG1 4.26Å; F381-I390 HydrophobicContact CB-CD1 4.1Å; K382-I390 HydrophobicContact CB-CD1 4.44Å; K382-I390 HydrophobicContact CG-CD1 3.84Å; K382-I390 HydrophobicContact CG-CG2 4.07Å
391M97.8Very high96.7Very high27 Ų2745.6 Ų45.613%0.13326%0.259CS..EExtended strand (participates in β ladder)trans-140.3143.4-176-169.3-171.5-63.500112V368 Y369 V370 D394 V397 H398V368-M391 PolarHBondContact O-N 3.44Å; Y369-M391 HydrophobicContact CD1-CB 4.1Å; V370-M391 PolarHBondContact N-O 3.46Å; M391-D394 HydrophobicContact SD-CB 3.55Å; M391-D394 VanDerWaalsContact SD-CB 3.55Å; M391-D394 VanDerWaalsContact SD-O 3.35Å; M391-V397 HydrophobicContact CE-CG2 3.49Å; M391-V397 VanDerWaalsContact CE-CG2 3.49Å; M391-V397 HydrophobicContact SD-CG2 3.45Å; M391-V397 WeakPolarHBondContact SD-CG2 3.11Å; M391-H398 HydrophobicContact CE-CB 3.41Å; M391-H398 VanDerWaalsContact CE-CB 3.41Å; M391-H398 WeakPolarHBondContact CE-ND1 3.43Å
392M98Very high95.9Very high55 Ų5548.5 Ų48.527%0.27128%0.278SS..EExtended strand (participates in β ladder)trans-99.6130174.1-165.6179.4172.900109.8V370 T372 F378 D394V370-M392 CarbonylContact O-C 3.59Å; V370-M392 VanDerWaalsContact O-CA 3.26Å; V370-M392 WeakPolarHBondContact O-CA 3.34Å; T372-M392 HydrophobicContact CG2-CE 3.85Å; T372-M392 WeakPolarHBondContact O-CE 3.5Å; F378-M392 HydrophobicContact CB-CE 4.32Å; F378-M392 HydrophobicContact CB-CG 4.26Å; F378-M392 HydrophobicContact CB-SD 3.82Å; F378-M392 HydrophobicContact CD1-CB 4.14Å; F378-M392 HydrophobicContact CD1-CG 4.34Å; F378-M392 HydrophobicContact CD1-SD 3.86Å; F378-M392 HydrophobicContact CD2-CB 3.72Å; F378-M392 HydrophobicContact CD2-CG 3.9Å; F378-M392 HydrophobicContact CD2-SD 4.37Å; F378-M392 HydrophobicContact CE1-CB 4.03Å; F378-M392 HydrophobicContact CE2-CB 3.62Å; F378-M392 HydrophobicContact CE2-CG 4.32Å; F378-M392 HydrophobicContact CG-CB 3.98Å; F378-M392 HydrophobicContact CG-CG 3.91Å; F378-M392 HydrophobicContact CG-SD 3.75Å; F378-M392 HydrophobicContact CZ-CB 3.79Å; M392-D394 VanDerWaalsContact C-N 3.3Å; M392-D394 PolarHBondContact O-N 3.05Å
393N98Very high95.2Very high46 Ų4647 Ų4725%0.24628%0.275CS..SBendtrans64.415170.3-63.7-41.1000117.5R233 V370 F371 T372R233-N393 VanDerWaalsContact CD-O 3.23Å; R233-N393 WeakPolarHBondContact CD-O 3.38Å; R233-N393 PolarHBondContact NH1-O 3.31Å; V370-N393 PolarHBondContact O-N 3.4Å; F371-N393 VanDerWaalsContact CA-OD1 3.28Å; F371-N393 WeakPolarHBondContact CA-OD1 3.46Å; F371-N393 HydrophobicContact CD1-CB 4.44Å; F371-N393 VanDerWaalsContact CE1-O 3.22Å; F371-N393 WeakPolarHBondContact CE1-O 3.23Å; T372-N393 PolarHBondContact N-OD1 2.91Å; T372-N393 PolarHBondContact O-ND2 3.06Å; T372-N393 PolarHBondContact O-OD1 3.41Å; T372-N393 VanDerWaalsContact O-OD1 3.05Å
394D98Very high94.9Very high34 Ų3441.9 Ų41.918%0.18225%0.25CS..  trans-150.8171.6170-144.2-33.4000110.8R233 Y369 M391 M392 V397R233-D394 VanDerWaalsContact CD-CG 3.48Å; R233-D394 WeakPolarHBondContact CD-OD1 3.41Å; R233-D394 WeakPolarHBondContact CG-OD1 3.4Å; R233-D394 IonicContact CZ-OD2 3.79Å; R233-D394 IonicContact NE-OD1 2.76Å; R233-D394 IonicContact NE-OD2 3.34Å; R233-D394 PolarHBondContact NE-OD2 3.3Å; R233-D394 IonicContact NH2-OD2 2.74Å; Y369-D394 WeakPolarHBondContact CD1-O 3.42Å; M391-D394 HydrophobicContact SD-CB 3.55Å; M391-D394 VanDerWaalsContact SD-CB 3.55Å; M391-D394 VanDerWaalsContact SD-O 3.35Å; M392-D394 VanDerWaalsContact C-N 3.3Å; M392-D394 PolarHBondContact O-N 3.05Å; D394-V397 HydrophobicContact CB-CG2 3.86Å
395C98Very high94.8Very high2 Ų242.6 Ų42.61%0.01425%0.251CS..SBendtrans-130.3141.2-179.5-70.30000110.2Y369 F371 V397Y369-C395 HydrophobicContact CD1-CB 4.45Å; Y369-C395 HydrophobicContact CD2-CB 4.28Å; Y369-C395 HydrophobicContact CE2-CB 4.3Å; Y369-C395 HydrophobicContact CG-CB 4.33Å; F371-C395 WeakPolarHBondContact CE2-SG 3.4Å; C395-V397 PolarHBondContact O-N 2.9Å
396S95.7Very high94.8Very high11 Ų1143 Ų438%0.07725%0.252CS..SBendtrans62.3-22.8173.2-46.40000116.9S237 V247 Y369 H398 T399S237-S396 PolarHBondContact OG-OG 3.4Å; V247-S396 PolarHBondContact O-OG 3.41Å; Y369-S396 VanDerWaalsContact CZ-N 3.33Å; Y369-S396 WeakPolarHBondContact OH-CA 3.48Å; Y369-S396 PolarHBondContact OH-N 3.07Å; Y369-S396 VanDerWaalsContact OH-N 3.08Å; S396-H398 PolarHBondContact O-N 2.94Å; S396-T399 WeakPolarHBondContact O-CG2 3.37Å; S396-T399 PolarHBondContact O-N 3.21Å; S396-T399 PolarHBondContact O-OG1 3.44Å
397V94.6Very high94.7Very high48 Ų4841.6 Ų41.629%0.29124%0.243SC..G310 helixtrans-60.3-16.5-173.5-62.30000115.4M391 D394 C395 T399 L400M391-V397 HydrophobicContact CE-CG2 3.49Å; M391-V397 VanDerWaalsContact CE-CG2 3.49Å; M391-V397 HydrophobicContact SD-CG2 3.45Å; M391-V397 WeakPolarHBondContact SD-CG2 3.11Å; D394-V397 HydrophobicContact CB-CG2 3.86Å; C395-V397 PolarHBondContact O-N 2.9Å; V397-T399 PolarHBondContact O-N 3.21Å; V397-L400 WeakPolarHBondContact O-CB 3.2Å; V397-L400 PolarHBondContact O-N 2.75Å
398H95Very high94.7Very high12 Ų1241 Ų416%0.05624%0.241CC..G310 helixtrans-62.2-26.9173.264.6-75.5000111.6Y369 M391 S396 L400 I401 I404Y369-H398 PolarHBondContact OH-CE1 2.96Å; M391-H398 HydrophobicContact CE-CB 3.41Å; M391-H398 VanDerWaalsContact CE-CB 3.41Å; M391-H398 WeakPolarHBondContact CE-ND1 3.43Å; S396-H398 PolarHBondContact O-N 2.94Å; H398-L400 PolarHBondContact O-N 3Å; H398-I401 PolarHBondContact O-N 2.99Å; H398-I401 VanDerWaalsContact O-N 3.12Å; H398-I404 HydrophobicContact CB-CD1 4.07Å; H398-I404 WeakPolarHBondContact O-CD1 3.33Å
399T92.9Very high94.7Very high41 Ų4142.6 Ų42.625%0.25224%0.241SC..G310 helixtrans-65.9-18.217464.40000112.8V247 S396 V397 F406 R418V247-T399 HydrophobicContact CG1-CG2 4.36Å; V247-T399 HydrophobicContact CG2-CG2 3.67Å; S396-T399 WeakPolarHBondContact O-CG2 3.37Å; S396-T399 PolarHBondContact O-N 3.21Å; S396-T399 PolarHBondContact O-OG1 3.44Å; V397-T399 PolarHBondContact O-N 3.21Å; T399-F406 HydrophobicContact CG2-CD2 4.22Å; T399-F406 HydrophobicContact CG2-CE2 3.66Å; T399-F406 HydrophobicContact CG2-CZ 4.49Å; T399-R418 PolarHBondContact O-NH1 2.68Å
400L88.5Confident94.7Very high91 Ų9144 Ų4448%0.47626%0.258SS..G310 helixtrans-91.9-11.9176.7-54.9179.3000112.5V397 H398 P402V397-L400 WeakPolarHBondContact O-CB 3.2Å; V397-L400 PolarHBondContact O-N 2.75Å; H398-L400 PolarHBondContact O-N 3Å; L400-P402 VanDerWaalsContact O-CD 3.31Å; L400-P402 WeakPolarHBondContact O-CD 3.41Å
401I90.1Very high94.5Very high81 Ų8145 Ų4542%0.41526%0.261SS..SBendtrans-78.9117.7-179-58.1176.5000108.7H398 I404 R418H398-I401 PolarHBondContact O-N 2.99Å; H398-I401 VanDerWaalsContact O-N 3.12Å; I401-I404 HydrophobicContact CB-CD1 3.94Å; I401-I404 HydrophobicContact CB-CG1 4.22Å; I401-I404 HydrophobicContact CG2-CD1 4.27Å; I401-I404 HydrophobicContact CG2-CG1 4.3Å; I401-I404 HydrophobicContact CG2-CG2 3.9Å; I401-R418 PolarHBondContact O-NH1 3.32Å
402P82.5Confident94.5Very high62 Ų6243.7 Ų43.740%0.40326%0.255SS..THydrogen-bonded Turntrans-70.4155.2175.230-34.1000111.1I74 L400 I404I74-P402 HydrophobicContact CD1-CB 3.36Å; I74-P402 HydrophobicContact CD1-CG 4.31Å; L400-P402 VanDerWaalsContact O-CD 3.31Å; L400-P402 WeakPolarHBondContact O-CD 3.41Å; P402-I404 VanDerWaalsContact C-N 3.28Å; P402-I404 PolarHBondContact O-N 3.36Å
403N82.5Confident94.5Very high70 Ų7041.1 Ų41.137%0.37424%0.242SC..THydrogen-bonded Turntrans62.324.9172.1-55.3-37.3000116.1W82W82-N403 WeakPolarHBondContact CH2-OD1 3.13Å
404I93Very high94.5Very high55 Ų5542 Ų4228%0.28225%0.246SC..SBendtrans-107.2147.8160.365.1169.1000109.4H398 I401 P402 F406 Y421H398-I404 HydrophobicContact CB-CD1 4.07Å; H398-I404 WeakPolarHBondContact O-CD1 3.33Å; I401-I404 HydrophobicContact CB-CD1 3.94Å; I401-I404 HydrophobicContact CB-CG1 4.22Å; I401-I404 HydrophobicContact CG2-CD1 4.27Å; I401-I404 HydrophobicContact CG2-CG1 4.3Å; I401-I404 HydrophobicContact CG2-CG2 3.9Å; P402-I404 VanDerWaalsContact C-N 3.28Å; P402-I404 PolarHBondContact O-N 3.36Å; I404-F406 PolarHBondContact O-N 2.75Å; I404-Y421 VanDerWaalsContact C-CE2 3.49Å
405P96.5Very high94.5Very high60 Ų6042 Ų4239%0.3925%0.254SS..  trans-68.2129.2176.828-28.6000107.9N416 Y421P405-N416 HydrophobicContact CB-CB 4.03Å; P405-Y421 HydrophobicContact CB-CD1 3.88Å; P405-Y421 HydrophobicContact CB-CD2 3.83Å; P405-Y421 HydrophobicContact CB-CE1 3.99Å; P405-Y421 HydrophobicContact CB-CE2 3.97Å; P405-Y421 HydrophobicContact CB-CG 3.79Å; P405-Y421 HydrophobicContact CG-CD2 4.49Å; P405-Y421 HydrophobicContact CG-CE1 4.15Å; P405-Y421 HydrophobicContact CG-CE2 4.12Å
406F97.9Very high94.5Very high28 Ų2844.4 Ų44.412%0.12327%0.267CS..BIsolated β-bridgetrans-108.2122.3169.8-178.9-87.8000108.2E212 V247 L366 T399 I404 N416 Y417 R418E212-F406 WeakPolarHBondContact OE2-CD1 3.4Å; E212-F406 VanDerWaalsContact OE2-CE1 3.25Å; E212-F406 WeakPolarHBondContact OE2-CE1 3.24Å; V247-F406 HydrophobicContact CG1-CE2 3.94Å; V247-F406 HydrophobicContact CG1-CZ 4.1Å; L366-F406 HydrophobicContact CD2-CE1 4.47Å; L366-F406 HydrophobicContact CD2-CZ 3.85Å; L366-F406 HydrophobicContact CG-CZ 4.46Å; T399-F406 HydrophobicContact CG2-CD2 4.22Å; T399-F406 HydrophobicContact CG2-CE2 3.66Å; T399-F406 HydrophobicContact CG2-CZ 4.49Å; I404-F406 PolarHBondContact O-N 2.75Å; F406-N416 CarbonylContact O-C 3.44Å; F406-N416 WeakPolarHBondContact O-CA 3.27Å; F406-N416 VanDerWaalsContact O-CB 3.25Å; F406-N416 WeakPolarHBondContact O-CB 3.38Å; F406-Y417 HydrophobicContact CD1-CD1 4.29Å; F406-Y417 AromaticContact CD1-CE1 3.52Å; F406-Y417 HydrophobicContact CD1-CE1 3.52Å; F406-Y417 HydrophobicContact CE1-CE1 4.17Å; F406-Y417 HydrophobicContact CG-CE1 4.49Å; F406-Y417 PolarHBondContact N-O 3.16Å; F406-Y417 WeakPolarHBondContact O-CD1 3.41Å; F406-Y417 PolarHBondContact O-N 2.96Å; F406-R418 HydrophobicContact CB-CG 3.99Å
407G97.5Very high94.7Very high10 Ų1044 Ų4410%0.10326%0.264CS..  trans176.7159.9179.100000112.6E212 G388E212-G407 VanDerWaalsContact OE1-CA 3.23Å; E212-G407 WeakPolarHBondContact OE1-CA 3.19Å; E212-G407 WeakPolarHBondContact OE2-CA 3.27Å; G388-G407 WeakPolarHBondContact CA-O 3.49Å
408G97.8Very high94.7Very high12 Ų1242.2 Ų42.212%0.12425%0.252CS..  trans-88.8-178.9178.500000114.3S412G408-S412 WeakPolarHBondContact CA-OG 3.28Å
409I97.9Very high94.7Very high69 Ų6941.7 Ų41.735%0.35425%0.25SC..  trans-143.9125.8173.6-176.4169.4000110.6K364 H411 S412 G413K364-I409 HydrophobicContact CB-CG2 4.23Å; K364-I409 VanDerWaalsContact CB-O 3.3Å; K364-I409 WeakPolarHBondContact CB-O 3.39Å; K364-I409 HydrophobicContact CD-CG1 4.34Å; K364-I409 HydrophobicContact CD-CG2 4.07Å; I409-H411 PolarHBondContact O-N 2.68Å; I409-H411 VanDerWaalsContact O-N 3.12Å; I409-S412 PolarHBondContact N-OG 2.98Å; I409-S412 PolarHBondContact O-OG 2.84Å; I409-G413 CarbonylContact C-O 3.6Å; I409-G413 WeakPolarHBondContact CA-O 3.33Å
410G97.1Very high94.8Very high55 Ų5545 Ų4557%0.56726%0.258SS*.BIsolated β-bridgetrans69-108.8178.800000111.2S412 G413G410-S412 VanDerWaalsContact C-N 3.33Å; G410-S412 PolarHBondContact O-N 3.01Å; G410-G413 PolarHBondContact N-O 2.79Å; G410-G413 PolarHBondContact O-N 2.77Å
411H94.8Very high95.3Very high75 Ų7544 Ų4435%0.34725%0.248SC..THydrogen-bonded Turntrans-64.9-38.1-178.4-171.998.8000112.3T192 I409 G413T192-H411 PolarHBondContact OG1-NE2 3.02Å; I409-H411 PolarHBondContact O-N 2.68Å; I409-H411 VanDerWaalsContact O-N 3.12Å; H411-G413 VanDerWaalsContact C-N 3.35Å
412S98.1Very high95.6Very high0 Ų040.1 Ų40.10%023%0.228CC..THydrogen-bonded Turntrans-83.1-6.6-178.1570000114.7L213 G214 K364 P365 G408 I409 G410L213-S412 CarbonylContact C-O 3.57Å; L213-S412 WeakPolarHBondContact CA-O 3.38Å; L213-S412 WeakPolarHBondContact CB-O 3.32Å; L213-S412 PolarHBondContact N-O 2.79Å; G214-S412 VanDerWaalsContact O-CA 3.27Å; G214-S412 WeakPolarHBondContact O-CA 3.23Å; G214-S412 WeakPolarHBondContact O-CB 3.41Å; K364-S412 VanDerWaalsContact O-CB 3.28Å; K364-S412 WeakPolarHBondContact O-CB 3.26Å; K364-S412 PolarHBondContact O-N 3.47Å; K364-S412 PolarHBondContact O-OG 3.4Å; K364-S412 VanDerWaalsContact O-OG 3.14Å; P365-S412 VanDerWaalsContact C-CB 3.48Å; P365-S412 PolarHBondContact O-OG 3.45Å; P365-S412 VanDerWaalsContact O-OG 3.08Å; G408-S412 WeakPolarHBondContact CA-OG 3.28Å; I409-S412 PolarHBondContact N-OG 2.98Å; I409-S412 PolarHBondContact O-OG 2.84Å; G410-S412 VanDerWaalsContact C-N 3.33Å; G410-S412 PolarHBondContact O-N 3.01Å
413G98.4Very high96.3Very high1 Ų137.2 Ų37.21%0.0121%0.209CC..EExtended strand (participates in β ladder)trans152.4-179.8174.800000117L211 I409 G410 H411L211-G413 CarbonylContact O-C 3.46Å; L211-G413 WeakPolarHBondContact O-CA 3.47Å; I409-G413 CarbonylContact C-O 3.6Å; I409-G413 WeakPolarHBondContact CA-O 3.33Å; G410-G413 PolarHBondContact N-O 2.79Å; G410-G413 PolarHBondContact O-N 2.77Å; H411-G413 VanDerWaalsContact C-N 3.35Å
414I98.4Very high97Very high65 Ų6536.6 Ų36.633%0.33320%0.204SC..EExtended strand (participates in β ladder)trans-140.5127177.7-54.6178.3000107.9Y199 V210 L211Y199-I414 HydrophobicContact CD1-CD1 3.95Å; Y199-I414 HydrophobicContact CE1-CD1 3.34Å; V210-I414 CarbonylContact C-O 3.47Å; V210-I414 WeakPolarHBondContact CA-O 3.44Å; L211-I414 HydrophobicContact CB-CB 4.45Å; L211-I414 HydrophobicContact CD1-CD1 4.01Å; L211-I414 HydrophobicContact CD1-CG1 4.39Å; L211-I414 PolarHBondContact N-O 3.35Å; L211-I414 PolarHBondContact O-N 3.41Å
415G98.1Very high97.2Very high33 Ų3335.1 Ų35.134%0.3420%0.197SC..  trans87.6-176.5-177.100000112.6
416N98Very high97.3Very high54 Ų5432.2 Ų32.229%0.28918%0.179SC..  trans-158.2169.7176.456.680.3000109.4P405 F406 Y421 T425P405-N416 HydrophobicContact CB-CB 4.03Å; F406-N416 CarbonylContact O-C 3.44Å; F406-N416 WeakPolarHBondContact O-CA 3.27Å; F406-N416 VanDerWaalsContact O-CB 3.25Å; F406-N416 WeakPolarHBondContact O-CB 3.38Å; N416-Y421 WeakPolarHBondContact OD1-CB 3.4Å; N416-T425 WeakPolarHBondContact O-CB 3.43Å; N416-T425 PolarHBondContact O-OG1 2.96Å
417Y98.1Very high97.4Very high3 Ų331 Ų311%0.01217%0.174CC..BIsolated β-bridgetrans-152.6-165.7176.773.7-67.5000110.9Q124 F187 E212 F406Q124-Y417 HydrophobicContact CB-CE2 3.99Å; Q124-Y417 HydrophobicContact CG-CD2 4.19Å; Q124-Y417 HydrophobicContact CG-CE2 3.6Å; Q124-Y417 PolarHBondContact OE1-OH 2.94Å; F187-Y417 AromaticContact CE2-CD1 3.85Å; F187-Y417 HydrophobicContact CE2-CD1 3.85Å; F187-Y417 HydrophobicContact CE2-CD2 4.28Å; F187-Y417 HydrophobicContact CE2-CE1 4.35Å; F187-Y417 AromaticContact CE2-CG 3.84Å; F187-Y417 HydrophobicContact CE2-CG 3.84Å; F187-Y417 AromaticContact CZ-CD1 3.73Å; F187-Y417 HydrophobicContact CZ-CD1 3.73Å; F187-Y417 HydrophobicContact CZ-CD2 4.15Å; F187-Y417 AromaticContact CZ-CE1 3.75Å; F187-Y417 HydrophobicContact CZ-CE1 3.75Å; F187-Y417 HydrophobicContact CZ-CE2 4.18Å; F187-Y417 AromaticContact CZ-CG 3.96Å; F187-Y417 HydrophobicContact CZ-CG 3.96Å; E212-Y417 HydrophobicContact CG-CD1 4.15Å; E212-Y417 HydrophobicContact CG-CE1 3.77Å; E212-Y417 WeakPolarHBondContact OE1-CD1 3.42Å; F406-Y417 HydrophobicContact CD1-CD1 4.29Å; F406-Y417 AromaticContact CD1-CE1 3.52Å; F406-Y417 HydrophobicContact CD1-CE1 3.52Å; F406-Y417 HydrophobicContact CE1-CE1 4.17Å; F406-Y417 HydrophobicContact CG-CE1 4.49Å; F406-Y417 PolarHBondContact N-O 3.16Å; F406-Y417 WeakPolarHBondContact O-CD1 3.41Å; F406-Y417 PolarHBondContact O-N 2.96Å
418R94.8Very high97.4Very high10 Ų1035 Ų354%0.03819%0.189CC..SBendtrans89.6140.2-174.8-56.6-169.162.2-171.46.6115.5E71 Q124 T399 I401 F406 R420 Y421 S422E71-R418 IonicContact OE2-NE 3.85Å; E71-R418 IonicContact OE2-NH2 3.67Å; Q124-R418 HydrophobicContact CG-CG 4.44Å; T399-R418 PolarHBondContact O-NH1 2.68Å; I401-R418 PolarHBondContact O-NH1 3.32Å; F406-R418 HydrophobicContact CB-CG 3.99Å; R418-R420 PolarHBondContact O-N 3.04Å; R418-Y421 WeakPolarHBondContact O-CA 3.5Å; R418-Y421 WeakPolarHBondContact O-CB 3.02Å; R418-Y421 WeakPolarHBondContact O-CD2 3.28Å; R418-Y421 PolarHBondContact O-N 3.23Å; R418-S422 VanDerWaalsContact CA-OG 3.27Å; R418-S422 WeakPolarHBondContact CA-OG 3.49Å; R418-S422 PolarHBondContact N-OG 3.5Å; R418-S422 PolarHBondContact O-N 2.82Å
419G94.9Very high97.4Very high1 Ų140.3 Ų40.31%0.0121%0.206CC..Hα-helixtrans46.9-123.7179.500000111.3E71 W82 Y421 S422E71-G419 PolarHBondContact OE1-N 3.39Å; W82-G419 VanDerWaalsContact CH2-C 3.46Å; G419-Y421 VanDerWaalsContact C-N 3.28Å; G419-Y421 PolarHBondContact O-N 2.88Å; G419-S422 WeakPolarHBondContact O-CB 3.47Å; G419-S422 PolarHBondContact O-N 3.41Å
420R96.2Very high97.4Very high111 Ų11143 Ų4342%0.41921%0.212SC..Hα-helixtrans-58.9-37.8177.2179.7178.3162.9160.11.7113W82 R418 S422 I423 E424W82-R420 HydrophobicContact CD2-CB 3.82Å; W82-R420 HydrophobicContact CD2-CG 4.27Å; W82-R420 HydrophobicContact CE3-CB 4.25Å; W82-R420 HydrophobicContact CG-CB 4.24Å; W82-R420 HydrophobicContact CG-CG 4.16Å; W82-R420 HydrophobicContact CH2-CB 4.29Å; W82-R420 HydrophobicContact CZ2-CB 3.88Å; W82-R420 HydrophobicContact CZ3-CB 4.48Å; R418-R420 PolarHBondContact O-N 3.04Å; R420-S422 VanDerWaalsContact C-N 3.25Å; R420-S422 PolarHBondContact O-N 3.13Å; R420-I423 WeakPolarHBondContact O-CA 3.46Å; R420-I423 WeakPolarHBondContact O-CB 3.4Å; R420-I423 PolarHBondContact O-N 3.2Å; R420-E424 IonicContact CZ-OE1 2.74Å; R420-E424 IonicContact NE-OE1 2.69Å; R420-E424 PolarHBondContact NE-OE1 3.41Å; R420-E424 IonicContact NH2-OE1 3.76Å; R420-E424 PolarHBondContact NH2-OE1 3.17Å; R420-E424 PolarHBondContact O-N 3.12Å; R420-E424 VanDerWaalsContact O-N 3.08Å
421Y97.6Very high97.3Very high69 Ų6944.7 Ų44.727%0.27121%0.212SC..Hα-helixtrans-68.2-28.1-177.3-55.9-77.4000111.7I404 P405 N416 R418 G419 E424 T425I404-Y421 VanDerWaalsContact C-CE2 3.49Å; P405-Y421 HydrophobicContact CB-CD1 3.88Å; P405-Y421 HydrophobicContact CB-CD2 3.83Å; P405-Y421 HydrophobicContact CB-CE1 3.99Å; P405-Y421 HydrophobicContact CB-CE2 3.97Å; P405-Y421 HydrophobicContact CB-CG 3.79Å; P405-Y421 HydrophobicContact CG-CD2 4.49Å; P405-Y421 HydrophobicContact CG-CE1 4.15Å; P405-Y421 HydrophobicContact CG-CE2 4.12Å; N416-Y421 WeakPolarHBondContact OD1-CB 3.4Å; R418-Y421 WeakPolarHBondContact O-CA 3.5Å; R418-Y421 WeakPolarHBondContact O-CB 3.02Å; R418-Y421 WeakPolarHBondContact O-CD2 3.28Å; R418-Y421 PolarHBondContact O-N 3.23Å; G419-Y421 VanDerWaalsContact C-N 3.28Å; G419-Y421 PolarHBondContact O-N 2.88Å; Y421-E424 PolarHBondContact O-N 3.37Å; Y421-T425 WeakPolarHBondContact O-CB 3.2Å; Y421-T425 PolarHBondContact O-N 3.05Å; Y421-T425 PolarHBondContact O-OG1 3.38Å; Y421-T425 VanDerWaalsContact O-OG1 3.09Å
422S98Very high97.4Very high0 Ų042.9 Ų42.90%021%0.207CC..Hα-helixtrans-61.9-42.7168-69.80000111.9R418 G419 R420 E424 T425 F426R418-S422 VanDerWaalsContact CA-OG 3.27Å; R418-S422 WeakPolarHBondContact CA-OG 3.49Å; R418-S422 PolarHBondContact N-OG 3.5Å; R418-S422 PolarHBondContact O-N 2.82Å; G419-S422 WeakPolarHBondContact O-CB 3.47Å; G419-S422 PolarHBondContact O-N 3.41Å; R420-S422 VanDerWaalsContact C-N 3.25Å; R420-S422 PolarHBondContact O-N 3.13Å; S422-E424 VanDerWaalsContact C-N 3.31Å; S422-E424 PolarHBondContact O-N 2.89Å; S422-T425 PolarHBondContact O-N 3.22Å; S422-F426 WeakPolarHBondContact O-CB 3.37Å; S422-F426 WeakPolarHBondContact O-CD2 3.41Å; S422-F426 PolarHBondContact O-N 3.47Å
423I97Very high97.2Very high1 Ų147.7 Ų47.71%0.00523%0.231CC..Hα-helixtrans-60.8-44.4175.4-64.7-64.5000110.5M75 W82 L83 K103 A131 R420 S427M75-I423 HydrophobicContact CE-CD1 4.23Å; M75-I423 HydrophobicContact CE-CG1 4.25Å; M75-I423 HydrophobicContact SD-CD1 3.74Å; M75-I423 HydrophobicContact SD-CG1 3.96Å; W82-I423 HydrophobicContact CB-CB 4.47Å; W82-I423 HydrophobicContact CB-CG1 4.1Å; W82-I423 HydrophobicContact CB-CG2 4.4Å; W82-I423 HydrophobicContact CE3-CG1 3.99Å; L83-I423 HydrophobicContact CD2-CD1 4.29Å; L83-I423 HydrophobicContact CD2-CG2 3.66Å; L83-I423 HydrophobicContact CG-CD1 4.38Å; L83-I423 HydrophobicContact CG-CG2 4.28Å; K103-I423 HydrophobicContact CD-CG2 3.8Å; A131-I423 HydrophobicContact CB-CD1 3.46Å; A131-I423 VanDerWaalsContact CB-CD1 3.46Å; R420-I423 WeakPolarHBondContact O-CA 3.46Å; R420-I423 WeakPolarHBondContact O-CB 3.4Å; R420-I423 PolarHBondContact O-N 3.2Å; I423-S427 WeakPolarHBondContact O-CB 2.97Å; I423-S427 PolarHBondContact O-N 3.22Å; I423-S427 VanDerWaalsContact O-N 3.17Å; I423-S427 PolarHBondContact O-OG 3.03Å
424E96.7Very high96.8Very high56 Ų5652.5 Ų52.526%0.26226%0.256SS..Hα-helixtrans-64.8-43.4179.5-66.3178.4179.100111.9R420 Y421 S422 S427R420-E424 IonicContact CZ-OE1 2.74Å; R420-E424 IonicContact NE-OE1 2.69Å; R420-E424 PolarHBondContact NE-OE1 3.41Å; R420-E424 IonicContact NH2-OE1 3.76Å; R420-E424 PolarHBondContact NH2-OE1 3.17Å; R420-E424 PolarHBondContact O-N 3.12Å; R420-E424 VanDerWaalsContact O-N 3.08Å; Y421-E424 PolarHBondContact O-N 3.37Å; S422-E424 VanDerWaalsContact C-N 3.31Å; S422-E424 PolarHBondContact O-N 2.89Å; E424-S427 PolarHBondContact O-N 3.32Å; E424-S427 VanDerWaalsContact O-O 3.06Å
425T98.3Very high96.3Very high24 Ų2454.1 Ų54.115%0.14726%0.261CS..Hα-helixtrans-68.9-41.7-178.6-750000113.1Y106 L185 V210 N416 Y421 S422 S427Y106-T425 WeakPolarHBondContact CE2-O 3.4Å; L185-T425 VanDerWaalsContact CD1-O 3.32Å; L185-T425 WeakPolarHBondContact CD1-O 3.28Å; V210-T425 HydrophobicContact CG2-CG2 3.39Å; N416-T425 WeakPolarHBondContact O-CB 3.43Å; N416-T425 PolarHBondContact O-OG1 2.96Å; Y421-T425 WeakPolarHBondContact O-CB 3.2Å; Y421-T425 PolarHBondContact O-N 3.05Å; Y421-T425 PolarHBondContact O-OG1 3.38Å; Y421-T425 VanDerWaalsContact O-OG1 3.09Å; S422-T425 PolarHBondContact O-N 3.22Å; T425-S427 VanDerWaalsContact C-N 3.3Å; T425-S427 PolarHBondContact O-N 3.5Å
426F98.7Very high95.6Very high0 Ų054.3 Ų54.30%026%0.257CS..THydrogen-bonded Turntrans-90.59-179.2-63.9-66.9000113.4V109 P125 G128 A129 A132 N134 L185 F187 S422V109-F426 HydrophobicContact CG1-CD1 4.19Å; V109-F426 HydrophobicContact CG1-CE1 3.92Å; V109-F426 HydrophobicContact CG2-CD1 4.32Å; P125-F426 HydrophobicContact CB-CE2 4.3Å; P125-F426 HydrophobicContact CB-CZ 3.87Å; P125-F426 WeakPolarHBondContact O-CE2 3.3Å; G128-F426 VanDerWaalsContact C-CD2 3.45Å; A129-F426 HydrophobicContact CB-CD1 4Å; A129-F426 HydrophobicContact CB-CD2 4.32Å; A129-F426 HydrophobicContact CB-CE1 4.23Å; A129-F426 HydrophobicContact CB-CG 4.05Å; A132-F426 HydrophobicContact CB-CB 3.55Å; A132-F426 VanDerWaalsContact CB-O 3.27Å; A132-F426 WeakPolarHBondContact CB-O 3.34Å; N134-F426 PolarHBondContact ND2-O 3.28Å; L185-F426 HydrophobicContact CD1-CD1 4.37Å; L185-F426 HydrophobicContact CD2-CD1 3.84Å; L185-F426 HydrophobicContact CD2-CE1 3.66Å; F187-F426 HydrophobicContact CB-CE1 4.23Å; F187-F426 HydrophobicContact CB-CZ 4.39Å; F187-F426 HydrophobicContact CD2-CE1 4.06Å; F187-F426 AromaticContact CD2-CZ 3.56Å; F187-F426 HydrophobicContact CD2-CZ 3.56Å; F187-F426 HydrophobicContact CE2-CZ 4.14Å; F187-F426 HydrophobicContact CG-CE1 4.47Å; F187-F426 HydrophobicContact CG-CZ 4.16Å; S422-F426 WeakPolarHBondContact O-CB 3.37Å; S422-F426 WeakPolarHBondContact O-CD2 3.41Å; S422-F426 PolarHBondContact O-N 3.47Å
427S98.5Very high94.8Very high3 Ų360.7 Ų60.72%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-119.9139.6174.7-53.80000112.3Q104 A132 I423 E424 T425Q104-S427 CarbonylContact O-C 3.52Å; Q104-S427 VanDerWaalsContact O-CA 3.22Å; Q104-S427 WeakPolarHBondContact O-CA 3.3Å; A132-S427 WeakPolarHBondContact CB-OG 3.25Å; I423-S427 WeakPolarHBondContact O-CB 2.97Å; I423-S427 PolarHBondContact O-N 3.22Å; I423-S427 VanDerWaalsContact O-N 3.17Å; I423-S427 PolarHBondContact O-OG 3.03Å; E424-S427 PolarHBondContact O-N 3.32Å; E424-S427 VanDerWaalsContact O-O 3.06Å; T425-S427 VanDerWaalsContact C-N 3.3Å; T425-S427 PolarHBondContact O-N 3.5Å
428H98.1Very high93.6Very high92 Ų9265.3 Ų65.343%0.42631%0.313SS..EExtended strand (participates in β ladder)trans-77129.1160-179.163000110.2K103 Q104 Y106 R430K103-H428 WeakPolarHBondContact CA-O 3.45Å; Q104-H428 PolarHBondContact N-O 3.47Å; Q104-H428 PolarHBondContact O-N 3.4Å; Y106-H428 HydrophobicContact CE1-CB 4.33Å; H428-R430 PolarHBondContact O-N 3.41Å
429R97.3Very high92.3Very high124 Ų12465.4 Ų65.447%0.46831%0.314SS..EExtended strand (participates in β ladder)trans-90.199.1176.1-66.1179.975.8-157.35.2109.6E86 I101 P431E86-R429 IonicContact OE2-CZ 3.78Å; E86-R429 IonicContact OE2-NH2 2.81Å; E86-R429 PolarHBondContact OE2-NH2 2.96Å; I101-R429 HydrophobicContact CG2-CB 3.78Å; I101-R429 HydrophobicContact CG2-CG 4.35Å; R429-P431 WeakPolarHBondContact O-CD 3.49Å
430R97.6Very high90.8Very high127 Ų12772.4 Ų72.448%0.47934%0.341SS..EExtended strand (participates in β ladder)trans-94.6118-178.7-179.4177.2176.4175.7-2.4111.1Q102 Q104 H428Q102-R430 PolarHBondContact N-O 2.81Å; Q102-R430 PolarHBondContact O-N 2.89Å; Q104-R430 VanDerWaalsContact OE1-CD 3.3Å; H428-R430 PolarHBondContact O-N 3.41Å
431P96.6Very high89.1Confident89 Ų8973.2 Ų73.258%0.57835%0.353SS*.EExtended strand (participates in β ladder)trans-64.9134167.9-18.832.3000110.9T100 R429T100-P431 WeakPolarHBondContact O-CA 3.28Å; R429-P431 WeakPolarHBondContact O-CD 3.49Å
432V96.1Very high87.5Confident38 Ų3872.9 Ų72.923%0.2336%0.356CS..EExtended strand (participates in β ladder)trans-121.4122.6174.6-177.90000107.6V99 T100 Q102 L434V99-V432 WeakPolarHBondContact CA-O 3.49Å; T100-V432 PolarHBondContact N-O 2.79Å; T100-V432 PolarHBondContact O-N 2.93Å; Q102-V432 HydrophobicContact CB-CG2 3.93Å; V432-L434 HydrophobicContact CG1-CD1 4.06Å
433I93.1Very high86.3Confident101 Ų10173.8 Ų73.852%0.51836%0.36SS..EExtended strand (participates in β ladder)trans-123.6110.6-176.9-59.1153.8000107.3T98 V99 K435T98-I433 WeakPolarHBondContact O-CA 3.37Å; V99-I433 HydrophobicContact CG1-CG1 4.12Å; V99-I433 HydrophobicContact CG2-CG1 4.4Å; V99-I433 HydrophobicContact CG2-CG2 4.4Å; I433-K435 HydrophobicContact CG2-CG 4.08Å
434L91.7Very high85.2Confident102 Ų10280 Ų8053%0.53439%0.387SS..EExtended strand (participates in β ladder)trans-97.2106.4171.8-56.5102.3000108D97 T98 V432D97-L434 WeakPolarHBondContact CA-O 3.49Å; T98-L434 HydrophobicContact CG2-CD1 3.91Å; T98-L434 PolarHBondContact N-O 3.45Å; T98-L434 PolarHBondContact O-N 2.78Å; V432-L434 HydrophobicContact CG1-CD1 4.06Å
435K87.2Confident84.3Confident98 Ų9879.6 Ų79.643%0.42639%0.386SS..  trans-78.2139.6180-66.1-159.467.365.20111.8D97 I433 E439D97-K435 VanDerWaalsContact OD1-CA 3.28Å; D97-K435 WeakPolarHBondContact OD1-CA 3.46Å; D97-K435 IonicContact OD1-NZ 3.37Å; D97-K435 IonicContact OD2-NZ 3.85Å; D97-K435 PolarHBondContact OD2-NZ 2.84Å; I433-K435 HydrophobicContact CG2-CG 4.08Å; K435-E439 WeakPolarHBondContact CE-OE2 3.48Å; K435-E439 IonicContact NZ-OE1 3.65Å; K435-E439 IonicContact NZ-OE2 2.95Å; K435-E439 PolarHBondContact NZ-OE2 3.44Å
436S83.8Confident83.4Confident37 Ų3784 Ų8426%0.25940%0.401SS..  trans-77.6137.7172.5175.30000111.8M96 D97 V438 E439M96-S436 VanDerWaalsContact O-CB 3.23Å; M96-S436 WeakPolarHBondContact O-CB 3.42Å; D97-S436 PolarHBondContact OD1-N 3.49Å; S436-V438 PolarHBondContact O-N 2.69Å; S436-V438 PolarHBondContact OG-N 3.3Å; S436-E439 WeakPolarHBondContact O-CB 3.19Å; S436-E439 PolarHBondContact O-N 2.89Å
437E79.9Confident82.7Confident188 Ų18888.8 Ų88.888%0.87942%0.419SS*.G310 helixtrans-66-24.2173.5-65.1-169.9162.800112.6E439 Y440E437-E439 PolarHBondContact O-N 2.74Å; E437-E439 VanDerWaalsContact O-N 3.16Å; E437-Y440 PolarHBondContact O-N 3.06Å
438V74.5Confident82.1Confident101 Ų10197.2 Ų97.261%0.61245%0.452SS*.G310 helixtrans-66.2-18179.3-174.10000111.6M96 S436 Y440M96-V438 HydrophobicContact SD-CB 4.43Å; M96-V438 HydrophobicContact SD-CG1 4.26Å; S436-V438 PolarHBondContact O-N 2.69Å; S436-V438 PolarHBondContact OG-N 3.3Å; V438-Y440 PolarHBondContact O-N 2.8Å; V438-Y440 VanDerWaalsContact O-N 3.14Å
439E66.1Low81.7Confident11 Ų1198.3 Ų98.35%0.05147%0.467CS..G310 helixtrans-75.91.1-175.4-144.3-168.7-159.700114.3I93 K435 S436 E437 I441 N442 N443I93-E439 VanDerWaalsContact O-OE1 3.09Å; K435-E439 WeakPolarHBondContact CE-OE2 3.48Å; K435-E439 IonicContact NZ-OE1 3.65Å; K435-E439 IonicContact NZ-OE2 2.95Å; K435-E439 PolarHBondContact NZ-OE2 3.44Å; S436-E439 WeakPolarHBondContact O-CB 3.19Å; S436-E439 PolarHBondContact O-N 2.89Å; E437-E439 PolarHBondContact O-N 2.74Å; E437-E439 VanDerWaalsContact O-N 3.16Å; E439-I441 PolarHBondContact O-N 3.48Å; E439-I441 VanDerWaalsContact O-N 3.09Å; E439-N442 HydrophobicContact CG-CB 4.29Å; E439-N442 PolarHBondContact O-N 3.05Å; E439-N442 VanDerWaalsContact O-N 3.17Å; E439-N443 PolarHBondContact O-N 2.97Å; E439-N443 PolarHBondContact O-ND2 3.45Å
440Y64Low81.3Confident148 Ų14899 Ų9958%0.5847%0.471SS*.Hα-helixtrans-50.4-35.8176.1177.5-104.5000113.1E437 V438 N443E437-Y440 PolarHBondContact O-N 3.06Å; V438-Y440 PolarHBondContact O-N 2.8Å; V438-Y440 VanDerWaalsContact O-N 3.14Å; Y440-N443 PolarHBondContact O-N 2.93Å
441I61.3Low80.9Confident129 Ų12996.4 Ų96.466%0.66247%0.469SS*.Hα-helixtrans-66.5-45-178-60.6173.6000111.6E439 N443E439-I441 PolarHBondContact O-N 3.48Å; E439-I441 VanDerWaalsContact O-N 3.09Å; I441-N443 VanDerWaalsContact C-N 3.3Å; I441-N443 PolarHBondContact O-N 3.42Å
442N64Low80.6Confident62 Ų6298.9 Ų98.933%0.33247%0.473SS..Hα-helixtrans-70.6-30.6179-75.2-19.3000111.8E439 K444 I445E439-N442 HydrophobicContact CG-CB 4.29Å; E439-N442 PolarHBondContact O-N 3.05Å; E439-N442 VanDerWaalsContact O-N 3.17Å; N442-K444 VanDerWaalsContact C-N 3.29Å; N442-K444 PolarHBondContact O-N 3.04Å; N442-I445 PolarHBondContact O-N 3.46Å
443N72.2Confident80.1Confident19 Ų19101.3 Ų101.310%0.10249%0.492CS..Hα-helixtrans-71.3-20.3-176.3-78.1-49.4000114.1E439 Y440 I441 I445 R446 Y447E439-N443 PolarHBondContact O-N 2.97Å; E439-N443 PolarHBondContact O-ND2 3.45Å; Y440-N443 PolarHBondContact O-N 2.93Å; I441-N443 VanDerWaalsContact C-N 3.3Å; I441-N443 PolarHBondContact O-N 3.42Å; N443-I445 PolarHBondContact O-N 3.41Å; N443-I445 VanDerWaalsContact O-N 3.11Å; N443-R446 WeakPolarHBondContact O-CG 3.44Å; N443-R446 PolarHBondContact O-N 3.33Å; N443-R446 VanDerWaalsContact O-N 3.1Å; N443-R446 PolarHBondContact OD1-NE 2.93Å; N443-R446 PolarHBondContact OD1-NH2 3.3Å; N443-Y447 HydrophobicContact CB-CD2 4.23Å; N443-Y447 HydrophobicContact CB-CE1 4.36Å; N443-Y447 HydrophobicContact CB-CE2 3.46Å; N443-Y447 VanDerWaalsContact CB-CE2 3.46Å; N443-Y447 WeakPolarHBondContact CB-OH 3.49Å; N443-Y447 WeakPolarHBondContact O-CD2 3.48Å; N443-Y447 PolarHBondContact O-N 3.06Å
444K74.2Confident79.8Confident131 Ų13196.8 Ų96.857%0.5747%0.469SS*.THydrogen-bonded Turntrans-54.4-32.7175-77.7-172.4175.6-177.50113N442 Y447N442-K444 VanDerWaalsContact C-N 3.29Å; N442-K444 PolarHBondContact O-N 3.04Å; K444-Y447 PolarHBondContact O-N 3.14Å
445I77.3Confident79.6Confident47 Ų4795 Ų9524%0.24146%0.46CS..THydrogen-bonded Turntrans-72.2-28.3-176.7-67172.2000112.5N442 N443 G454 W457 L458N442-I445 PolarHBondContact O-N 3.46Å; N443-I445 PolarHBondContact O-N 3.41Å; N443-I445 VanDerWaalsContact O-N 3.11Å; I445-G454 WeakPolarHBondContact CG2-O 3.37Å; I445-W457 HydrophobicContact CB-CE3 4.2Å; I445-W457 HydrophobicContact CD1-CB 4.11Å; I445-W457 HydrophobicContact CD1-CD2 3.37Å; I445-W457 HydrophobicContact CD1-CE3 3.72Å; I445-W457 HydrophobicContact CD1-CG 3.56Å; I445-W457 HydrophobicContact CD1-CH2 4.48Å; I445-W457 HydrophobicContact CD1-CZ2 4.21Å; I445-W457 HydrophobicContact CD1-CZ3 4.27Å; I445-W457 HydrophobicContact CG2-CB 4.21Å; I445-W457 HydrophobicContact CG2-CD2 4.16Å; I445-W457 HydrophobicContact CG2-CE3 3.59Å; I445-W457 HydrophobicContact CG2-CG 4.45Å; I445-W457 HydrophobicContact CG2-CZ3 4.27Å; I445-L458 HydrophobicContact CG2-CD1 4.36Å; I445-L458 HydrophobicContact CG2-CD2 4.15Å; I445-L458 HydrophobicContact CG2-CG 3.79Å
446R79.9Confident79.6Confident118 Ų11893.7 Ų93.745%0.44546%0.463SS..THydrogen-bonded Turntrans-90.8-11.1174.669.1164.9-169.1-178.6-0.6113.4N443 Y450N443-R446 WeakPolarHBondContact O-CG 3.44Å; N443-R446 PolarHBondContact O-N 3.33Å; N443-R446 VanDerWaalsContact O-N 3.1Å; N443-R446 PolarHBondContact OD1-NE 2.93Å; N443-R446 PolarHBondContact OD1-NH2 3.3Å; R446-Y450 WeakPolarHBondContact O-CE1 3.36Å
447Y83.6Confident79.6Confident99 Ų9995.5 Ų95.539%0.38847%0.465SS..SBendtrans-86.5147.9-179.4-63.5-30.2000110.8N443 K444N443-Y447 HydrophobicContact CB-CD2 4.23Å; N443-Y447 HydrophobicContact CB-CE1 4.36Å; N443-Y447 HydrophobicContact CB-CE2 3.46Å; N443-Y447 VanDerWaalsContact CB-CE2 3.46Å; N443-Y447 WeakPolarHBondContact CB-OH 3.49Å; N443-Y447 WeakPolarHBondContact O-CD2 3.48Å; N443-Y447 PolarHBondContact O-N 3.06Å; K444-Y447 PolarHBondContact O-N 3.14Å
448Y86.5Confident79.7Confident180 Ų18089.1 Ų89.171%0.70644%0.436SS*.SBendtrans-67.3149173.9-67.6-82.5000110.9Y450Y448-Y450 HydrophobicContact CD1-CD1 4.38Å; Y448-Y450 AromaticContact CD1-CD2 3.87Å; Y448-Y450 HydrophobicContact CD1-CD2 3.87Å; Y448-Y450 HydrophobicContact CD1-CE1 4.17Å; Y448-Y450 AromaticContact CD1-CE2 3.67Å; Y448-Y450 HydrophobicContact CD1-CE2 3.67Å; Y448-Y450 HydrophobicContact CD1-CG 4.23Å; Y448-Y450 AromaticContact CD1-CZ 3.81Å; Y448-Y450 AromaticContact CE1-CD2 3.55Å; Y448-Y450 HydrophobicContact CE1-CD2 3.55Å; Y448-Y450 HydrophobicContact CE1-CE1 4.13Å; Y448-Y450 AromaticContact CE1-CE2 2.98Å; Y448-Y450 HydrophobicContact CE1-CE2 2.98Å; Y448-Y450 HydrophobicContact CE1-CG 4.33Å; Y448-Y450 AromaticContact CE1-CZ 3.31Å; Y448-Y450 HydrophobicContact CE2-CE2 4.47Å; Y448-Y450 AromaticContact CZ-CE2 3.46Å; Y448-Y450 VanDerWaalsContact CZ-CE2 3.46Å; Y448-Y450 AromaticContact CZ-CZ 3.41Å; Y448-Y450 VanDerWaalsContact CZ-CZ 3.41Å; Y448-Y450 PolarHBondContact OH-OH 3.48Å; Y448-Y450 VanDerWaalsContact OH-OH 3.12Å
449P89.5Confident80.2Confident115 Ų11591.9 Ų91.975%0.74744%0.435SS*.SBendcis-79.8144.6-1.632.1-34.2000112.9
450Y89.1Confident80.9Confident140 Ų14097.3 Ų97.355%0.54946%0.456SS..PPolyproline II helixtrans-70.2142.7175.8-61.2-42.7000111.8R446 Y448R446-Y450 WeakPolarHBondContact O-CE1 3.36Å; Y448-Y450 HydrophobicContact CD1-CD1 4.38Å; Y448-Y450 AromaticContact CD1-CD2 3.87Å; Y448-Y450 HydrophobicContact CD1-CD2 3.87Å; Y448-Y450 HydrophobicContact CD1-CE1 4.17Å; Y448-Y450 AromaticContact CD1-CE2 3.67Å; Y448-Y450 HydrophobicContact CD1-CE2 3.67Å; Y448-Y450 HydrophobicContact CD1-CG 4.23Å; Y448-Y450 AromaticContact CD1-CZ 3.81Å; Y448-Y450 AromaticContact CE1-CD2 3.55Å; Y448-Y450 HydrophobicContact CE1-CD2 3.55Å; Y448-Y450 HydrophobicContact CE1-CE1 4.13Å; Y448-Y450 AromaticContact CE1-CE2 2.98Å; Y448-Y450 HydrophobicContact CE1-CE2 2.98Å; Y448-Y450 HydrophobicContact CE1-CG 4.33Å; Y448-Y450 AromaticContact CE1-CZ 3.31Å; Y448-Y450 HydrophobicContact CE2-CE2 4.47Å; Y448-Y450 AromaticContact CZ-CE2 3.46Å; Y448-Y450 VanDerWaalsContact CZ-CE2 3.46Å; Y448-Y450 AromaticContact CZ-CZ 3.41Å; Y448-Y450 VanDerWaalsContact CZ-CZ 3.41Å; Y448-Y450 PolarHBondContact OH-OH 3.48Å; Y448-Y450 VanDerWaalsContact OH-OH 3.12Å
451T88.8Confident81.5Confident72 Ų7290.5 Ų90.544%0.44243%0.429SS..  trans-129.5155.9177.465.20000110.2S453 G454 L455T451-S453 PolarHBondContact O-N 3.33Å; T451-S453 PolarHBondContact OG1-OG 3.22Å; T451-G454 WeakPolarHBondContact O-CA 3.35Å; T451-G454 PolarHBondContact O-N 3.23Å; T451-G454 PolarHBondContact OG1-N 3.14Å; T451-L455 PolarHBondContact O-N 3.1Å
452E90.3Very high82.2Confident141 Ų14189.1 Ų89.166%0.65942%0.423SS*.Hα-helixtrans-59.8-34.2175.6-76.7-57.8140.100112.7L455 S456E452-L455 PolarHBondContact O-N 3.41Å; E452-S456 WeakPolarHBondContact O-CB 3.49Å; E452-S456 PolarHBondContact O-N 2.86Å; E452-S456 PolarHBondContact O-OG 2.71Å
453S86.2Confident82.7Confident89 Ų8994 Ų9462%0.62244%0.441SS*.Hα-helixtrans-66.2-41.3173.554.70000111.7T451 S456 W457T451-S453 PolarHBondContact O-N 3.33Å; T451-S453 PolarHBondContact OG1-OG 3.22Å; S453-S456 PolarHBondContact O-N 3.15Å; S453-W457 PolarHBondContact O-N 3.48Å
454G85.9Confident82.5Confident5 Ų597.2 Ų97.25%0.05245%0.454CS..Hα-helixtrans-63.4-44.8174.600000112.4I445 T451 S456 W457 L458I445-G454 WeakPolarHBondContact CG2-O 3.37Å; T451-G454 WeakPolarHBondContact O-CA 3.35Å; T451-G454 PolarHBondContact O-N 3.23Å; T451-G454 PolarHBondContact OG1-N 3.14Å; G454-S456 PolarHBondContact O-N 2.62Å; G454-W457 PolarHBondContact O-N 3.41Å; G454-L458 WeakPolarHBondContact O-CG 3.49Å; G454-L458 PolarHBondContact O-N 2.92Å
455L88.1Confident82Confident64 Ų6493.4 Ų93.434%0.33544%0.444SS..Hα-helixtrans-59.8-44.8175177.760.5000112.1T451 E452 W457 L458 R459T451-L455 PolarHBondContact O-N 3.1Å; E452-L455 PolarHBondContact O-N 3.41Å; L455-W457 VanDerWaalsContact C-N 3.32Å; L455-W457 PolarHBondContact O-N 3.03Å; L455-L458 PolarHBondContact O-N 3.34Å; L455-R459 HydrophobicContact CD1-CG 4.36Å; L455-R459 WeakPolarHBondContact O-CG 3.12Å; L455-R459 PolarHBondContact O-N 3.08Å
456S87.3Confident81Confident71 Ų7196.4 Ų96.450%0.49746%0.461SS..Hα-helixtrans-60.2-43.5178.2-62.50000111.6E452 S453 G454 W460E452-S456 WeakPolarHBondContact O-CB 3.49Å; E452-S456 PolarHBondContact O-N 2.86Å; E452-S456 PolarHBondContact O-OG 2.71Å; S453-S456 PolarHBondContact O-N 3.15Å; G454-S456 PolarHBondContact O-N 2.62Å; S456-W460 WeakPolarHBondContact O-CB 3.49Å; S456-W460 PolarHBondContact O-N 3.44Å
457W83.3Confident79.6Confident76 Ų7699.4 Ų99.429%0.28847%0.472SS..Hα-helixtrans-66.3-44.3176.9-170.999.4000112.2F92 I445 S453 G454 L455 R459 W460 S461F92-W457 AromaticContact CE1-CH2 3.73Å; F92-W457 HydrophobicContact CE1-CH2 3.73Å; F92-W457 AromaticContact CE1-CZ2 3.75Å; F92-W457 HydrophobicContact CE1-CZ2 3.75Å; F92-W457 HydrophobicContact CZ-CH2 4.43Å; F92-W457 HydrophobicContact CZ-CZ2 4.02Å; I445-W457 HydrophobicContact CB-CE3 4.2Å; I445-W457 HydrophobicContact CD1-CB 4.11Å; I445-W457 HydrophobicContact CD1-CD2 3.37Å; I445-W457 HydrophobicContact CD1-CE3 3.72Å; I445-W457 HydrophobicContact CD1-CG 3.56Å; I445-W457 HydrophobicContact CD1-CH2 4.48Å; I445-W457 HydrophobicContact CD1-CZ2 4.21Å; I445-W457 HydrophobicContact CD1-CZ3 4.27Å; I445-W457 HydrophobicContact CG2-CB 4.21Å; I445-W457 HydrophobicContact CG2-CD2 4.16Å; I445-W457 HydrophobicContact CG2-CE3 3.59Å; I445-W457 HydrophobicContact CG2-CG 4.45Å; I445-W457 HydrophobicContact CG2-CZ3 4.27Å; S453-W457 PolarHBondContact O-N 3.48Å; G454-W457 PolarHBondContact O-N 3.41Å; L455-W457 VanDerWaalsContact C-N 3.32Å; L455-W457 PolarHBondContact O-N 3.03Å; W457-R459 VanDerWaalsContact C-N 3.34Å; W457-R459 PolarHBondContact O-N 2.97Å; W457-W460 WeakPolarHBondContact O-CB 2.98Å; W457-W460 PolarHBondContact O-N 3.1Å; W457-W460 VanDerWaalsContact O-N 3.14Å; W457-S461 PolarHBondContact O-N 3.31Å; W457-S461 PolarHBondContact O-OG 2.86Å
458L82.3Confident77.9Confident53 Ų53103 Ų10328%0.27750%0.498SS..Hα-helixtrans-59.3-43.3176.7-73.4168.2000112.1I445 G454 L455 W460 S461 L462I445-L458 HydrophobicContact CG2-CD1 4.36Å; I445-L458 HydrophobicContact CG2-CD2 4.15Å; I445-L458 HydrophobicContact CG2-CG 3.79Å; G454-L458 WeakPolarHBondContact O-CG 3.49Å; G454-L458 PolarHBondContact O-N 2.92Å; L455-L458 PolarHBondContact O-N 3.34Å; L458-W460 VanDerWaalsContact C-N 3.33Å; L458-W460 PolarHBondContact O-N 3.27Å; L458-S461 WeakPolarHBondContact CA-OG 3.36Å; L458-S461 PolarHBondContact O-N 3.2Å; L458-S461 PolarHBondContact O-OG 3.14Å; L458-L462 WeakPolarHBondContact O-CB 3.48Å; L458-L462 VanDerWaalsContact O-CG 3.28Å; L458-L462 WeakPolarHBondContact O-CG 3.45Å; L458-L462 PolarHBondContact O-N 3.49Å
459R84.7Confident75.9Confident159 Ų15996.2 Ų96.260%0.648%0.483SS*.Hα-helixtrans-62.1-42175.3-76.6178.4171.7169.2-0.6111.7L455 W457 K463L455-R459 HydrophobicContact CD1-CG 4.36Å; L455-R459 WeakPolarHBondContact O-CG 3.12Å; L455-R459 PolarHBondContact O-N 3.08Å; W457-R459 VanDerWaalsContact C-N 3.34Å; W457-R459 PolarHBondContact O-N 2.97Å; R459-K463 WeakPolarHBondContact O-CG 3.15Å; R459-K463 PolarHBondContact O-N 3.39Å
460W81.5Confident73.7Confident126 Ų12696.4 Ų96.448%0.47749%0.486SS..Hα-helixtrans-65.5-44.1177.9176.587.8000112F92 S456 W457 L458 L462 K463 K464F92-W460 HydrophobicContact CE1-CZ3 4.17Å; F92-W460 HydrophobicContact CE2-CH2 4.27Å; F92-W460 HydrophobicContact CE2-CZ3 4.05Å; F92-W460 HydrophobicContact CZ-CH2 4.27Å; F92-W460 AromaticContact CZ-CZ3 3.62Å; F92-W460 HydrophobicContact CZ-CZ3 3.62Å; S456-W460 WeakPolarHBondContact O-CB 3.49Å; S456-W460 PolarHBondContact O-N 3.44Å; W457-W460 WeakPolarHBondContact O-CB 2.98Å; W457-W460 PolarHBondContact O-N 3.1Å; W457-W460 VanDerWaalsContact O-N 3.14Å; L458-W460 VanDerWaalsContact C-N 3.33Å; L458-W460 PolarHBondContact O-N 3.27Å; W460-L462 PolarHBondContact O-N 3.02Å; W460-K463 PolarHBondContact O-N 3.48Å; W460-K464 HydrophobicContact CZ2-CD 4.5Å; W460-K464 HydrophobicContact CZ2-CG 4.25Å; W460-K464 PolarHBondContact O-N 3.32Å
461S75.6Confident71.4Confident4 Ų497.6 Ų97.63%0.02850%0.496CS..Hα-helixtrans-63.3-43.5179.662.90000111.7W457 L458 K463 K464 S465W457-S461 PolarHBondContact O-N 3.31Å; W457-S461 PolarHBondContact O-OG 2.86Å; L458-S461 WeakPolarHBondContact CA-OG 3.36Å; L458-S461 PolarHBondContact O-N 3.2Å; L458-S461 PolarHBondContact O-OG 3.14Å; S461-K463 PolarHBondContact O-N 3.18Å; S461-K464 WeakPolarHBondContact O-CB 3.28Å; S461-K464 PolarHBondContact O-N 3.17Å; S461-K464 VanDerWaalsContact O-N 3.14Å; S461-S465 PolarHBondContact O-N 3.05Å; S461-S465 VanDerWaalsContact O-N 3.15Å; S461-S465 PolarHBondContact O-OG 3.04Å
462L75.8Confident69.8Low100 Ų100102 Ų10252%0.52452%0.515SS..Hα-helixtrans-61.2-43.2177.8-71.8169.2000112.2I93 L458 W460 K464 S465 D466I93-L462 HydrophobicContact CD1-CD2 4.37Å; L458-L462 WeakPolarHBondContact O-CB 3.48Å; L458-L462 VanDerWaalsContact O-CG 3.28Å; L458-L462 WeakPolarHBondContact O-CG 3.45Å; L458-L462 PolarHBondContact O-N 3.49Å; W460-L462 PolarHBondContact O-N 3.02Å; L462-K464 PolarHBondContact O-N 3.42Å; L462-S465 WeakPolarHBondContact O-CB 3.23Å; L462-S465 PolarHBondContact O-N 3.11Å; L462-D466 PolarHBondContact O-N 3.34Å
463K75.7Confident67.4Low164 Ų164105.4 Ų105.471%0.71354%0.537SS*.Hα-helixtrans-63.9-26.2175.9-75.5-177177.6-173.70113.7R459 W460 S461R459-K463 WeakPolarHBondContact O-CG 3.15Å; R459-K463 PolarHBondContact O-N 3.39Å; W460-K463 PolarHBondContact O-N 3.48Å; S461-K463 PolarHBondContact O-N 3.18Å
464K67.9Low66.4Low87 Ų87106.3 Ų106.338%0.37853%0.533SS..Hα-helixtrans-78.7-34.2176.7-97.1-106.3-173.6168.70111.9W460 S461 L462 D466 R467W460-K464 HydrophobicContact CZ2-CD 4.5Å; W460-K464 HydrophobicContact CZ2-CG 4.25Å; W460-K464 PolarHBondContact O-N 3.32Å; S461-K464 WeakPolarHBondContact O-CB 3.28Å; S461-K464 PolarHBondContact O-N 3.17Å; S461-K464 VanDerWaalsContact O-N 3.14Å; L462-K464 PolarHBondContact O-N 3.42Å; K464-D466 PolarHBondContact O-N 3.14Å; K464-R467 PolarHBondContact O-N 3.49Å
465S61.9Low65.4Low51 Ų51111.6 Ų111.636%0.35756%0.558SS.*Hα-helixtrans-59.9-35.4172-42.20000111.9S461 L462 R467S461-S465 PolarHBondContact O-N 3.05Å; S461-S465 VanDerWaalsContact O-N 3.15Å; S461-S465 PolarHBondContact O-OG 3.04Å; L462-S465 WeakPolarHBondContact O-CB 3.23Å; L462-S465 PolarHBondContact O-N 3.11Å; S465-R467 VanDerWaalsContact C-N 3.33Å; S465-R467 PolarHBondContact O-N 3.34Å
466D56.5Low64.1Low111 Ų111114.2 Ų114.259%0.59457%0.571SS**THydrogen-bonded Turntrans-84.78.6-175.1-108.3-12.5000114.8L462 K464 N468 G469L462-D466 PolarHBondContact O-N 3.34Å; K464-D466 PolarHBondContact O-N 3.14Å; D466-N468 PolarHBondContact O-N 3.02Å; D466-G469 WeakPolarHBondContact O-CA 3.48Å; D466-G469 PolarHBondContact O-N 3.09Å
467R50.3Low62.8Low180 Ų180116.8 Ų116.868%0.67958%0.575SS**THydrogen-bonded Turntrans-66.9-4.8-176.2-75.5-172.4-177.3-161-2.1115.3K464 S465K464-R467 PolarHBondContact O-N 3.49Å; S465-R467 VanDerWaalsContact C-N 3.33Å; S465-R467 PolarHBondContact O-N 3.34Å
468N49.6Very low61.5Low174 Ų174119.3 Ų119.393%0.9359%0.593SS**THydrogen-bonded Turntrans-104.92.2167.1-68-15.1000113.1D466D466-N468 PolarHBondContact O-N 3.02Å
469G43.6Very low60.1Low39 Ų39123.7 Ų123.740%0.40261%0.614SS.*SBendtrans-106.8128.7-175.200000111.7D466 Q471D466-G469 WeakPolarHBondContact O-CA 3.48Å; D466-G469 PolarHBondContact O-N 3.09Å; G469-Q471 PolarHBondContact O-N 3.16Å
470C42.9Very low58.4Low118 Ų118121.2 Ų121.280%0.79762%0.615SS**  trans-30.9120.9177-1490000113.8I472C470-I472 VanDerWaalsContact C-N 3.33Å; C470-I472 PolarHBondContact O-N 3.3Å
471Q40.9Very low56.6Low165 Ų165120.8 Ų120.877%0.77163%0.626SS**  trans-67.598.7161.4-81.1-170.9-15.400107.5G469 L473G469-Q471 PolarHBondContact O-N 3.16Å; Q471-L473 VanDerWaalsContact C-N 3.3Å; Q471-L473 PolarHBondContact O-N 3.23Å; Q471-L473 VanDerWaalsContact O-N 3.07Å
472I55.9Low55Low164 Ų164130.6 Ų130.684%0.84168%0.676SS**  trans-72.996.5162.9-52.5176.6000105C470C470-I472 VanDerWaalsContact C-N 3.33Å; C470-I472 PolarHBondContact O-N 3.3Å
473L38.8Very low53.1Low214 Ų214133.4 Ų133.4100%1.1269%0.689SS**  trans-79.60171.4-83.1167.5000110.5Q471Q471-L473 VanDerWaalsContact C-N 3.3Å; Q471-L473 PolarHBondContact O-N 3.23Å; Q471-L473 VanDerWaalsContact O-N 3.07Å

Retrieved 473 of 473 residues in 1063.6 ms (Link to these results)

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