A0A077ZED2_TRITR Loading...

AP endonuc 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZED2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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
1M80.4Confident91Very high44 Ų4451 Ų5122%0.21725%0.25CC..  026.10-68.9173.957.100113.2V6 P8 L11 I25 D29M1-V6 WeakPolarHBondContact CA-O 3.49Å; M1-V6 WeakPolarHBondContact CB-O 3.4Å; M1-V6 HydrophobicContact CG-CB 3.97Å; M1-V6 HydrophobicContact CG-CG1 3.86Å; M1-V6 VanDerWaalsContact CG-O 3.31Å; M1-V6 WeakPolarHBondContact CG-O 3.41Å; M1-P8 HydrophobicContact CE-CB 4.19Å; M1-P8 HydrophobicContact CE-CG 3.7Å; M1-P8 VanDerWaalsContact CE-N 3.27Å; M1-L11 HydrophobicContact SD-CB 4.19Å; M1-L11 HydrophobicContact SD-CD2 3.89Å; M1-L11 HydrophobicContact SD-CG 4.47Å; M1-I25 HydrophobicContact CE-CD1 4.07Å; M1-I25 HydrophobicContact SD-CD1 4.38Å; M1-D29 HydrophobicContact CB-CB 4.35Å; M1-D29 HydrophobicContact CE-CB 3.74Å; M1-D29 HydrophobicContact SD-CB 3.81Å
2R82.9Confident91.6Very high56 Ų5646.8 Ų46.821%0.21123%0.229CC..G310 helixtrans-76.7147.9-172.3-54177.470.3170.918111.6E4 R5 T254 L256 L266 E269R2-E4 PolarHBondContact O-N 3.33Å; R2-E4 VanDerWaalsContact O-N 3.15Å; R2-R5 PolarHBondContact O-N 3.04Å; R2-T254 PolarHBondContact NH1-O 3.23Å; R2-T254 PolarHBondContact NH2-O 2.91Å; R2-L256 VanDerWaalsContact NH2-CG 3.32Å; R2-L266 HydrophobicContact CB-CD2 4.26Å; R2-E269 IonicContact NH1-OE1 3.25Å
3L85.4Confident92.1Very high52 Ų5247.4 Ų47.427%0.27223%0.234SC..G310 helixtrans52.734.1178.2-54.3178.2000112.9R5 E31 L256 L262 L266L3-R5 PolarHBondContact O-N 3.31Å; L3-R5 PolarHBondContact O-NH1 3.1Å; L3-E31 WeakPolarHBondContact CA-OE1 3.44Å; L3-E31 PolarHBondContact N-OE1 2.86Å; L3-L256 HydrophobicContact CD1-CD1 4.15Å; L3-L256 HydrophobicContact CD2-CD1 4.49Å; L3-L256 HydrophobicContact CG-CD1 4.5Å; L3-L262 HydrophobicContact CD1-CD1 3.64Å; L3-L262 HydrophobicContact CD1-CD2 3.35Å; L3-L262 HydrophobicContact CD1-CG 3.9Å; L3-L266 HydrophobicContact CD1-CD1 4.23Å
4E89.3Confident92.4Very high44 Ų4446.4 Ų46.421%0.20623%0.229CC..G310 helixtrans56.924.1175-55.6169.8174.500113.7R2 V6 L7 E31 R32 F33R2-E4 PolarHBondContact O-N 3.33Å; R2-E4 VanDerWaalsContact O-N 3.15Å; E4-V6 VanDerWaalsContact C-N 3.35Å; E4-L7 HydrophobicContact CB-CD2 3.94Å; E4-E31 HydrophobicContact CG-CB 4.23Å; E4-R32 VanDerWaalsContact CD-NH2 3.28Å; E4-R32 WeakPolarHBondContact OE1-CB 3.23Å; E4-R32 WeakPolarHBondContact OE1-CG 3.31Å; E4-R32 IonicContact OE1-CZ 3.41Å; E4-R32 VanDerWaalsContact OE1-CZ 3.25Å; E4-R32 IonicContact OE1-NE 3.57Å; E4-R32 PolarHBondContact OE1-NE 2.76Å; E4-R32 IonicContact OE1-NH2 3.73Å; E4-R32 PolarHBondContact OE1-NH2 3.33Å; E4-R32 VanDerWaalsContact OE1-NH2 3.12Å; E4-R32 IonicContact OE2-CZ 2.91Å; E4-R32 IonicContact OE2-NE 2.71Å; E4-R32 IonicContact OE2-NH2 3.88Å; E4-R32 PolarHBondContact OE2-NH2 3.28Å; E4-F33 HydrophobicContact CB-CD2 4.34Å; E4-F33 HydrophobicContact CG-CD2 3.93Å; E4-F33 HydrophobicContact CG-CE2 4.26Å; E4-F33 WeakPolarHBondContact OE2-CE2 3.49Å
5R88.3Confident92.8Very high146 Ų14643.5 Ų43.555%0.55122%0.216SC*.SBendtrans-77.8-22.9177.1-69.5-57.9-169.9-981.6113.5R2 L3 D263 L266R2-R5 PolarHBondContact O-N 3.04Å; L3-R5 PolarHBondContact O-N 3.31Å; L3-R5 PolarHBondContact O-NH1 3.1Å; R5-D263 IonicContact NH2-OD1 3.85Å; R5-D263 PolarHBondContact NH2-OD1 3.03Å; R5-L266 HydrophobicContact CG-CD1 3.63Å
6V91.3Very high93.2Very high31 Ų3143.5 Ų43.519%0.18822%0.222CC..SBendtrans-135.3113.2171.5179.50000105.3M1 E4 D10 I14M1-V6 WeakPolarHBondContact CA-O 3.49Å; M1-V6 WeakPolarHBondContact CB-O 3.4Å; M1-V6 HydrophobicContact CG-CB 3.97Å; M1-V6 HydrophobicContact CG-CG1 3.86Å; M1-V6 VanDerWaalsContact CG-O 3.31Å; M1-V6 WeakPolarHBondContact CG-O 3.41Å; E4-V6 VanDerWaalsContact C-N 3.35Å; V6-D10 HydrophobicContact CG1-CB 3.88Å; V6-I14 HydrophobicContact CG1-CD1 3.8Å; V6-I14 HydrophobicContact CG2-CD1 4.42Å
7L95.6Very high93.4Very high49 Ų4949.1 Ų49.126%0.25725%0.246SC..  trans-86.2164.4176.6-54.8-175.7000110.2E4 A9 D10 L11 F33E4-L7 HydrophobicContact CB-CD2 3.94Å; L7-A9 PolarHBondContact O-N 3.3Å; L7-D10 WeakPolarHBondContact CB-OD2 3.38Å; L7-D10 PolarHBondContact N-OD2 3.37Å; L7-D10 WeakPolarHBondContact O-CA 3.49Å; L7-D10 WeakPolarHBondContact O-CB 3.48Å; L7-D10 PolarHBondContact O-N 3.25Å; L7-L11 PolarHBondContact O-N 3.46Å; L7-L11 VanDerWaalsContact O-N 3.12Å; L7-F33 HydrophobicContact CD2-CB 3.95Å; L7-F33 HydrophobicContact CD2-CD2 3.73Å; L7-F33 HydrophobicContact CD2-CG 4.03Å
8P97.5Very high93.7Very high1 Ų147.8 Ų47.81%0.00624%0.241CC..Hα-helixtrans-50.6-45.1178.3-32.637.9000113.1M1 D10 L11 L12 I25 F33 L35 M38 F46M1-P8 HydrophobicContact CE-CB 4.19Å; M1-P8 HydrophobicContact CE-CG 3.7Å; M1-P8 VanDerWaalsContact CE-N 3.27Å; P8-D10 VanDerWaalsContact C-N 3.28Å; P8-D10 PolarHBondContact O-N 3.04Å; P8-L11 WeakPolarHBondContact O-CB 3.39Å; P8-L11 PolarHBondContact O-N 2.91Å; P8-L11 VanDerWaalsContact O-N 3.16Å; P8-L12 PolarHBondContact O-N 3.33Å; P8-I25 HydrophobicContact CB-CD1 3.55Å; P8-I25 HydrophobicContact CG-CD1 3.98Å; P8-F33 WeakPolarHBondContact CD-O 3.43Å; P8-F33 VanDerWaalsContact CG-O 3.25Å; P8-F33 WeakPolarHBondContact CG-O 3.32Å; P8-L35 HydrophobicContact CB-CD2 3.99Å; P8-L35 HydrophobicContact CG-CD2 4.31Å; P8-M38 HydrophobicContact CB-CE 4.21Å; P8-M38 HydrophobicContact CG-CE 4.05Å; P8-F46 HydrophobicContact CB-CD2 4.09Å; P8-F46 HydrophobicContact CB-CE2 3.69Å; P8-F46 WeakPolarHBondContact O-CE2 3.48Å
9A97.1Very high93.9Very high37 Ų3751.9 Ų51.931%0.30626%0.264SS..Hα-helixtrans-65-31.217900000112.7L7 L11 L12 D13 K49L7-A9 PolarHBondContact O-N 3.3Å; A9-L11 VanDerWaalsContact C-N 3.33Å; A9-L12 WeakPolarHBondContact O-CB 3.39Å; A9-L12 PolarHBondContact O-N 2.62Å; A9-D13 PolarHBondContact O-N 2.89Å; A9-K49 HydrophobicContact CB-CD 4.21Å; A9-K49 PolarHBondContact O-NZ 3.25Å
10D96.6Very high94.1Very high62 Ų6252 Ų5233%0.33226%0.264SS..Hα-helixtrans-70.7-33.2176.7-56.3-36.3000110.9V6 L7 P8 L12 D13 I14V6-D10 HydrophobicContact CG1-CB 3.88Å; L7-D10 WeakPolarHBondContact CB-OD2 3.38Å; L7-D10 PolarHBondContact N-OD2 3.37Å; L7-D10 WeakPolarHBondContact O-CA 3.49Å; L7-D10 WeakPolarHBondContact O-CB 3.48Å; L7-D10 PolarHBondContact O-N 3.25Å; P8-D10 VanDerWaalsContact C-N 3.28Å; P8-D10 PolarHBondContact O-N 3.04Å; D10-L12 VanDerWaalsContact C-N 3.28Å; D10-L12 PolarHBondContact O-N 3.22Å; D10-D13 PolarHBondContact O-N 2.92Å; D10-D13 VanDerWaalsContact O-N 3.14Å; D10-I14 VanDerWaalsContact O-CG1 3.28Å; D10-I14 WeakPolarHBondContact O-CG1 3.39Å; D10-I14 PolarHBondContact O-N 3.29Å
11L96.8Very high94.3Very high39 Ų3959.1 Ų59.120%0.20429%0.288CS..Hα-helixtrans-60-39.6174.5-175.266.5000111.4M1 L7 P8 A9 I14 A15 V23 I25M1-L11 HydrophobicContact SD-CB 4.19Å; M1-L11 HydrophobicContact SD-CD2 3.89Å; M1-L11 HydrophobicContact SD-CG 4.47Å; L7-L11 PolarHBondContact O-N 3.46Å; L7-L11 VanDerWaalsContact O-N 3.12Å; P8-L11 WeakPolarHBondContact O-CB 3.39Å; P8-L11 PolarHBondContact O-N 2.91Å; P8-L11 VanDerWaalsContact O-N 3.16Å; A9-L11 VanDerWaalsContact C-N 3.33Å; L11-I14 PolarHBondContact O-N 2.91Å; L11-A15 WeakPolarHBondContact O-CB 3.5Å; L11-A15 PolarHBondContact O-N 2.71Å; L11-V23 HydrophobicContact CD2-CB 3.96Å; L11-V23 HydrophobicContact CD2-CG1 4.13Å; L11-V23 HydrophobicContact CG-CB 4.25Å; L11-V23 HydrophobicContact CG-CG1 3.85Å; L11-I25 HydrophobicContact CD2-CB 4.23Å; L11-I25 HydrophobicContact CD2-CD1 4.28Å; L11-I25 HydrophobicContact CD2-CG1 4.42Å
12L98.4Very high95.1Very high0 Ų057.9 Ų57.90%029%0.286CS..Hα-helixtrans-62.3-42.5173.9-65.3175.5000111.9P8 A9 D10 A15 S16 V23 F46 K49 A50 L53 L55P8-L12 PolarHBondContact O-N 3.33Å; A9-L12 WeakPolarHBondContact O-CB 3.39Å; A9-L12 PolarHBondContact O-N 2.62Å; D10-L12 VanDerWaalsContact C-N 3.28Å; D10-L12 PolarHBondContact O-N 3.22Å; L12-A15 PolarHBondContact O-N 2.99Å; L12-S16 WeakPolarHBondContact O-CB 3.42Å; L12-S16 PolarHBondContact O-N 3.13Å; L12-V23 HydrophobicContact CD2-CB 4.42Å; L12-V23 HydrophobicContact CD2-CG1 3.93Å; L12-V23 HydrophobicContact CD2-CG2 3.57Å; L12-F46 HydrophobicContact CD1-CD2 3.74Å; L12-F46 HydrophobicContact CD1-CE1 4.47Å; L12-F46 HydrophobicContact CD1-CE2 3.44Å; L12-F46 VanDerWaalsContact CD1-CE2 3.44Å; L12-F46 HydrophobicContact CD1-CG 4.37Å; L12-F46 HydrophobicContact CD1-CZ 3.85Å; L12-F46 HydrophobicContact CD2-CE2 4.36Å; L12-F46 HydrophobicContact CD2-CZ 4.05Å; L12-F46 HydrophobicContact CG-CE2 3.73Å; L12-F46 HydrophobicContact CG-CZ 3.94Å; L12-K49 HydrophobicContact CD1-CB 4.02Å; L12-K49 HydrophobicContact CD1-CD 3.98Å; L12-K49 HydrophobicContact CD1-CG 3.88Å; L12-A50 HydrophobicContact CD1-CB 4.05Å; L12-A50 HydrophobicContact CD2-CB 3.8Å; L12-L53 HydrophobicContact CB-CD1 3.96Å; L12-L55 HydrophobicContact CB-CD1 4.21Å; L12-L55 HydrophobicContact CD2-CD1 4.01Å; L12-L55 WeakPolarHBondContact O-CD1 3.21Å
13D98.2Very high95.9Very high55 Ų5555.5 Ų55.529%0.29428%0.278SS..Hα-helixtrans-65.5-45.8177.6-65.4-30.2000110.6A9 D10 A15 S16 E17 K49A9-D13 PolarHBondContact O-N 2.89Å; D10-D13 PolarHBondContact O-N 2.92Å; D10-D13 VanDerWaalsContact O-N 3.14Å; D13-A15 VanDerWaalsContact C-N 3.33Å; D13-A15 PolarHBondContact O-N 3.42Å; D13-S16 PolarHBondContact O-N 3.05Å; D13-E17 WeakPolarHBondContact O-CB 3.39Å; D13-E17 VanDerWaalsContact O-CG 3.24Å; D13-E17 WeakPolarHBondContact O-CG 3.45Å; D13-E17 PolarHBondContact O-N 3.08Å; D13-K49 WeakPolarHBondContact OD1-CE 3.47Å; D13-K49 IonicContact OD1-NZ 3.18Å; D13-K49 PolarHBondContact OD1-NZ 2.67Å; D13-K49 IonicContact OD2-NZ 2.62Å; D13-K49 PolarHBondContact OD2-NZ 3.46Å
14I96.5Very high96.5Very high33 Ų3354.7 Ų54.717%0.16927%0.272CS..Hα-helixtrans-58.6-44.9177.3-68.4164.6000110.9V6 D10 L11 E17 N18V6-I14 HydrophobicContact CG1-CD1 3.8Å; V6-I14 HydrophobicContact CG2-CD1 4.42Å; D10-I14 VanDerWaalsContact O-CG1 3.28Å; D10-I14 WeakPolarHBondContact O-CG1 3.39Å; D10-I14 PolarHBondContact O-N 3.29Å; L11-I14 PolarHBondContact O-N 2.91Å; I14-E17 PolarHBondContact O-N 2.98Å; I14-N18 WeakPolarHBondContact O-CB 3.44Å; I14-N18 PolarHBondContact O-N 3.28Å; I14-N18 PolarHBondContact O-ND2 3.04Å
15A98Very high96.9Very high3 Ų352.6 Ų52.63%0.02526%0.263CS..Hα-helixtrans-62.5-44.6178.100000111.6L11 L12 D13 N18 N19 L20 V23 L55L11-A15 WeakPolarHBondContact O-CB 3.5Å; L11-A15 PolarHBondContact O-N 2.71Å; L12-A15 PolarHBondContact O-N 2.99Å; D13-A15 VanDerWaalsContact C-N 3.33Å; D13-A15 PolarHBondContact O-N 3.42Å; A15-N18 CarbonylContact O-C 3.56Å; A15-N18 PolarHBondContact O-N 3.33Å; A15-N19 PolarHBondContact O-N 3.02Å; A15-L20 HydrophobicContact CB-CB 4.17Å; A15-L20 HydrophobicContact CB-CD1 4.27Å; A15-L20 WeakPolarHBondContact O-CB 3.38Å; A15-L20 PolarHBondContact O-N 3.19Å; A15-V23 HydrophobicContact CB-CG1 3.63Å; A15-L55 HydrophobicContact CB-CD1 4Å; A15-L55 HydrophobicContact CB-CD2 4.25Å
16S98.4Very high97.3Very high44 Ų4446.4 Ų46.431%0.30824%0.24SC..Hα-helixtrans-63.9-48.3176.5-1780000112.2L12 D13 N18 N19L12-S16 WeakPolarHBondContact O-CB 3.42Å; L12-S16 PolarHBondContact O-N 3.13Å; D13-S16 PolarHBondContact O-N 3.05Å; S16-N18 PolarHBondContact O-N 3.38Å; S16-N19 PolarHBondContact O-N 3.5Å
17E98Very high97.6Very high138 Ų13845 Ų4565%0.64523%0.232SC*.Hα-helixtrans-58.6-33178.4-75.2173.5178.400111.8D13 I14D13-E17 WeakPolarHBondContact O-CB 3.39Å; D13-E17 VanDerWaalsContact O-CG 3.24Å; D13-E17 WeakPolarHBondContact O-CG 3.45Å; D13-E17 PolarHBondContact O-N 3.08Å; I14-E17 PolarHBondContact O-N 2.98Å
18N97.6Very high97.6Very high27 Ų2746.9 Ų46.914%0.14424%0.241CC..THydrogen-bonded Turntrans-91.810.1177.4-73.7-81.1000113.7I14 A15 S16 L20 I274 I277 R281I14-N18 WeakPolarHBondContact O-CB 3.44Å; I14-N18 PolarHBondContact O-N 3.28Å; I14-N18 PolarHBondContact O-ND2 3.04Å; A15-N18 CarbonylContact O-C 3.56Å; A15-N18 PolarHBondContact O-N 3.33Å; S16-N18 PolarHBondContact O-N 3.38Å; N18-L20 VanDerWaalsContact C-N 3.26Å; N18-L20 HydrophobicContact CB-CG 4.33Å; N18-L20 PolarHBondContact O-N 3.18Å; N18-I274 VanDerWaalsContact ND2-CD1 3.32Å; N18-I274 WeakPolarHBondContact ND2-CD1 3.26Å; N18-I274 WeakPolarHBondContact OD1-CD1 3.42Å; N18-I277 HydrophobicContact CB-CD1 3.95Å; N18-R281 PolarHBondContact O-NH1 2.86Å; N18-R281 PolarHBondContact O-NH2 3.32Å
19N97.7Very high97.4Very high126 Ų12649.6 Ų49.667%0.67426%0.256SS*.THydrogen-bonded Turntrans54.738.8179.7-54.7-80000113.6A15 S16A15-N19 PolarHBondContact O-N 3.02Å; S16-N19 PolarHBondContact O-N 3.5Å
20L98.2Very high97.2Very high52 Ų5248 Ų4827%0.27224%0.242SC..  trans-80.5174.8168.3-58.5-176000110.3A15 N18 L224 I277A15-L20 HydrophobicContact CB-CB 4.17Å; A15-L20 HydrophobicContact CB-CD1 4.27Å; A15-L20 WeakPolarHBondContact O-CB 3.38Å; A15-L20 PolarHBondContact O-N 3.19Å; N18-L20 VanDerWaalsContact C-N 3.26Å; N18-L20 HydrophobicContact CB-CG 4.33Å; N18-L20 PolarHBondContact O-N 3.18Å; L20-L224 HydrophobicContact CD2-CD1 4.32Å; L20-I277 HydrophobicContact CD1-CD1 4.27Å; L20-I277 HydrophobicContact CD2-CG1 4.46Å; L20-I277 HydrophobicContact CD2-CG2 4.46Å
21R97.7Very high97.1Very high202 Ų20249 Ų4976%0.76225%0.245SC*.SBendtrans-109-9.9-176.9-64.2-55.7-162.5-168.14.5114.3L55 D56R21-L55 WeakPolarHBondContact O-CA 3.16Å; R21-D56 PolarHBondContact O-N 2.8Å
22G98.4Very high97Very high18 Ų1855.3 Ų55.319%0.18627%0.266CS..EExtended strand (participates in β ladder)trans-176.3-177.9-179.500000111.6D56G22-D56 CarbonylContact C-O 3.52Å; G22-D56 WeakPolarHBondContact CA-O 3.4Å
23V98.4Very high96.9Very high7 Ų759.9 Ų59.94%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-126.2139.9173.4-63.90000109.7L11 L12 A15 D56 I57 H58L11-V23 HydrophobicContact CD2-CB 3.96Å; L11-V23 HydrophobicContact CD2-CG1 4.13Å; L11-V23 HydrophobicContact CG-CB 4.25Å; L11-V23 HydrophobicContact CG-CG1 3.85Å; L12-V23 HydrophobicContact CD2-CB 4.42Å; L12-V23 HydrophobicContact CD2-CG1 3.93Å; L12-V23 HydrophobicContact CD2-CG2 3.57Å; A15-V23 HydrophobicContact CB-CG1 3.63Å; V23-D56 PolarHBondContact N-O 3.18Å; V23-I57 HydrophobicContact CG2-CG1 4.28Å; V23-H58 PolarHBondContact O-N 3.2Å
24K97.9Very high96.9Very high34 Ų3457.3 Ų57.315%0.14827%0.273CS..EExtended strand (participates in β ladder)trans-99.2128.5160.3-61-168.7164.7-116.40107.2H58 E60 L147 H175K24-H58 WeakPolarHBondContact CA-O 3.48Å; K24-H58 HydrophobicContact CB-CB 4.49Å; K24-H58 HydrophobicContact CG-CB 3.99Å; K24-E60 HydrophobicContact CB-CG 4.42Å; K24-E60 IonicContact NZ-OE1 2.64Å; K24-L147 VanDerWaalsContact NZ-CD1 3.27Å; K24-H175 WeakPolarHBondContact CD-NE2 3.44Å; K24-H175 PolarHBondContact NZ-NE2 2.89Å
25I97.5Very high97Very high0 Ų055.8 Ų55.80%027%0.265CS..EExtended strand (participates in β ladder)trans-141.6126.6-173.4-174.8166000110.9M1 P8 L11 D29 L35 F46 I57 H58 I59 E60M1-I25 HydrophobicContact CE-CD1 4.07Å; M1-I25 HydrophobicContact SD-CD1 4.38Å; P8-I25 HydrophobicContact CB-CD1 3.55Å; P8-I25 HydrophobicContact CG-CD1 3.98Å; L11-I25 HydrophobicContact CD2-CB 4.23Å; L11-I25 HydrophobicContact CD2-CD1 4.28Å; L11-I25 HydrophobicContact CD2-CG1 4.42Å; I25-D29 HydrophobicContact CG1-CB 4.14Å; I25-L35 HydrophobicContact CD1-CD1 4.11Å; I25-L35 HydrophobicContact CD1-CG 4.18Å; I25-L35 HydrophobicContact CG1-CD1 4.36Å; I25-L35 HydrophobicContact CG2-CD1 3.75Å; I25-F46 HydrophobicContact CD1-CZ 4.27Å; I25-I57 HydrophobicContact CG2-CG2 4.28Å; I25-H58 PolarHBondContact N-O 3.23Å; I25-I59 HydrophobicContact CG2-CD1 3.9Å; I25-E60 PolarHBondContact O-N 2.97Å
26H97Very high97Very high16 Ų1656.7 Ų56.77%0.07428%0.275CS..EExtended strand (participates in β ladder)trans-74.6143.3175.8-167.6-93.4000110.7L28 D29 E60 T61 S62H26-L28 WeakPolarHBondContact ND1-CB 3.49Å; H26-L28 PolarHBondContact ND1-N 3.37Å; H26-L28 VanDerWaalsContact ND1-N 3.17Å; H26-L28 PolarHBondContact O-N 3.2Å; H26-D29 HydrophobicContact CB-CB 4.28Å; H26-D29 VanDerWaalsContact CB-OD2 3.26Å; H26-D29 WeakPolarHBondContact CB-OD2 3.46Å; H26-D29 PolarHBondContact N-OD2 2.92Å; H26-D29 VanDerWaalsContact N-OD2 3.09Å; H26-D29 WeakPolarHBondContact O-CB 3.23Å; H26-D29 PolarHBondContact O-N 3.48Å; H26-E60 CarbonylContact C-O 3.55Å; H26-E60 VanDerWaalsContact CA-O 3.29Å; H26-E60 WeakPolarHBondContact CA-O 3.41Å; H26-E60 HydrophobicContact CB-CB 4.48Å; H26-E60 PolarHBondContact CD2-O 3.4Å; H26-T61 WeakPolarHBondContact NE2-CA 3.33Å; H26-S62 PolarHBondContact CD2-OG 3.5Å; H26-S62 PolarHBondContact NE2-N 3.43Å; H26-S62 PolarHBondContact NE2-OG 3.01Å
27V97.7Very high97Very high3 Ų359.7 Ų59.72%0.01829%0.287CS..THydrogen-bonded Turntrans-57.7-23.3-179.4-63.60000113.3S34 L35 G36 I59 E60 A72 I75V27-S34 VanDerWaalsContact O-CB 3.28Å; V27-S34 WeakPolarHBondContact O-CB 3.49Å; V27-S34 PolarHBondContact O-OG 2.95Å; V27-L35 PolarHBondContact O-N 3.41Å; V27-G36 PolarHBondContact O-N 2.96Å; V27-I59 HydrophobicContact CG1-CG2 3.57Å; V27-E60 PolarHBondContact N-O 3.29Å; V27-A72 HydrophobicContact CG1-CB 4.23Å; V27-I75 HydrophobicContact CB-CD1 3.93Å; V27-I75 HydrophobicContact CG1-CD1 3.62Å
28L95.9Very high97Very high88 Ų8855.2 Ų55.246%0.46127%0.267SS..THydrogen-bonded Turntrans-98.3-5.6178.2-53.3-178.9000114.6H26 G30 E31 S34 M251H26-L28 WeakPolarHBondContact ND1-CB 3.49Å; H26-L28 PolarHBondContact ND1-N 3.37Å; H26-L28 VanDerWaalsContact ND1-N 3.17Å; H26-L28 PolarHBondContact O-N 3.2Å; L28-G30 PolarHBondContact O-N 3.09Å; L28-E31 PolarHBondContact O-N 2.84Å; L28-S34 WeakPolarHBondContact O-CB 3.47Å; L28-M251 HydrophobicContact CD1-SD 4.45Å
29D94.1Very high97Very high58 Ų5858 Ų5831%0.3128%0.282SS..THydrogen-bonded Turntrans-67.5129.7-177-86.7-30.6000111.8M1 I25 H26 S34M1-D29 HydrophobicContact CB-CB 4.35Å; M1-D29 HydrophobicContact CE-CB 3.74Å; M1-D29 HydrophobicContact SD-CB 3.81Å; I25-D29 HydrophobicContact CG1-CB 4.14Å; H26-D29 HydrophobicContact CB-CB 4.28Å; H26-D29 VanDerWaalsContact CB-OD2 3.26Å; H26-D29 WeakPolarHBondContact CB-OD2 3.46Å; H26-D29 PolarHBondContact N-OD2 2.92Å; H26-D29 VanDerWaalsContact N-OD2 3.09Å; H26-D29 WeakPolarHBondContact O-CB 3.23Å; H26-D29 PolarHBondContact O-N 3.48Å; D29-S34 WeakPolarHBondContact O-CA 3.45Å; D29-S34 WeakPolarHBondContact O-CB 3.37Å
30G93Very high97Very high2 Ų256.5 Ų56.52%0.02127%0.274CS..THydrogen-bonded Turntrans93.58-173.600000113.7L28 R32 F33L28-G30 PolarHBondContact O-N 3.09Å; G30-R32 PolarHBondContact O-N 3.33Å; G30-R32 VanDerWaalsContact O-N 3.12Å; G30-F33 PolarHBondContact O-N 3.48Å
31E92.9Very high97.1Very high83 Ų8362 Ų6239%0.38830%0.296SS..G310 helixtrans56.7-112.8169.5-60.5168.8-171.100111.1L3 E4 L28 F33 S34 N37L3-E31 WeakPolarHBondContact CA-OE1 3.44Å; L3-E31 PolarHBondContact N-OE1 2.86Å; E4-E31 HydrophobicContact CG-CB 4.23Å; L28-E31 PolarHBondContact O-N 2.84Å; E31-F33 PolarHBondContact O-N 2.85Å; E31-F33 VanDerWaalsContact O-N 3.17Å; E31-S34 VanDerWaalsContact O-CB 3.26Å; E31-S34 WeakPolarHBondContact O-CB 3.32Å; E31-S34 PolarHBondContact O-N 3.29Å; E31-S34 VanDerWaalsContact O-N 3.12Å; E31-S34 PolarHBondContact O-OG 2.65Å; E31-N37 PolarHBondContact O-ND2 3.09Å
32R95.9Very high97.1Very high172 Ų17257.1 Ų57.165%0.64928%0.281SS*.G310 helixtrans-64.8-19.8179.8-62.3-176.9-68.1145.72.8113.4E4 G30E4-R32 VanDerWaalsContact CD-NH2 3.28Å; E4-R32 WeakPolarHBondContact OE1-CB 3.23Å; E4-R32 WeakPolarHBondContact OE1-CG 3.31Å; E4-R32 IonicContact OE1-CZ 3.41Å; E4-R32 VanDerWaalsContact OE1-CZ 3.25Å; E4-R32 IonicContact OE1-NE 3.57Å; E4-R32 PolarHBondContact OE1-NE 2.76Å; E4-R32 IonicContact OE1-NH2 3.73Å; E4-R32 PolarHBondContact OE1-NH2 3.33Å; E4-R32 VanDerWaalsContact OE1-NH2 3.12Å; E4-R32 IonicContact OE2-CZ 2.91Å; E4-R32 IonicContact OE2-NE 2.71Å; E4-R32 IonicContact OE2-NH2 3.88Å; E4-R32 PolarHBondContact OE2-NH2 3.28Å; G30-R32 PolarHBondContact O-N 3.33Å; G30-R32 VanDerWaalsContact O-N 3.12Å
33F96.4Very high97.1Very high96 Ų9656.7 Ų56.742%0.42127%0.274SS..G310 helixtrans-107.915.4179.4-58.7-78.1000112.5E4 L7 P8 G30 E31 M38E4-F33 HydrophobicContact CB-CD2 4.34Å; E4-F33 HydrophobicContact CG-CD2 3.93Å; E4-F33 HydrophobicContact CG-CE2 4.26Å; E4-F33 WeakPolarHBondContact OE2-CE2 3.49Å; L7-F33 HydrophobicContact CD2-CB 3.95Å; L7-F33 HydrophobicContact CD2-CD2 3.73Å; L7-F33 HydrophobicContact CD2-CG 4.03Å; P8-F33 WeakPolarHBondContact CD-O 3.43Å; P8-F33 VanDerWaalsContact CG-O 3.25Å; P8-F33 WeakPolarHBondContact CG-O 3.32Å; G30-F33 PolarHBondContact O-N 3.48Å; E31-F33 PolarHBondContact O-N 2.85Å; E31-F33 VanDerWaalsContact O-N 3.17Å; F33-M38 VanDerWaalsContact O-CE 3.25Å; F33-M38 WeakPolarHBondContact O-CE 3.33Å
34S97.7Very high97.1Very high2 Ų259 Ų591%0.01429%0.291CS..SBendtrans-67159.7176.862.20000112.5V27 L28 D29 E31 G36 N37 M38V27-S34 VanDerWaalsContact O-CB 3.28Å; V27-S34 WeakPolarHBondContact O-CB 3.49Å; V27-S34 PolarHBondContact O-OG 2.95Å; L28-S34 WeakPolarHBondContact O-CB 3.47Å; D29-S34 WeakPolarHBondContact O-CA 3.45Å; D29-S34 WeakPolarHBondContact O-CB 3.37Å; E31-S34 VanDerWaalsContact O-CB 3.26Å; E31-S34 WeakPolarHBondContact O-CB 3.32Å; E31-S34 PolarHBondContact O-N 3.29Å; E31-S34 VanDerWaalsContact O-N 3.12Å; E31-S34 PolarHBondContact O-OG 2.65Å; S34-G36 PolarHBondContact O-N 3.21Å; S34-N37 PolarHBondContact O-N 3.22Å; S34-N37 PolarHBondContact OG-ND2 3.46Å; S34-M38 PolarHBondContact O-N 2.98Å
35L98.5Very high97.2Very high1 Ų160 Ų601%0.00531%0.306CS..G310 helixtrans-60.4-33.2179.8-59.6-174000111.9P8 I25 V27 N37 M38 L43 F46 I59 I75P8-L35 HydrophobicContact CB-CD2 3.99Å; P8-L35 HydrophobicContact CG-CD2 4.31Å; I25-L35 HydrophobicContact CD1-CD1 4.11Å; I25-L35 HydrophobicContact CD1-CG 4.18Å; I25-L35 HydrophobicContact CG1-CD1 4.36Å; I25-L35 HydrophobicContact CG2-CD1 3.75Å; V27-L35 PolarHBondContact O-N 3.41Å; L35-N37 PolarHBondContact O-N 3.32Å; L35-M38 HydrophobicContact CD2-CE 3.81Å; L35-M38 HydrophobicContact CD2-SD 3.6Å; L35-M38 WeakPolarHBondContact O-CB 3.36Å; L35-M38 PolarHBondContact O-N 2.9Å; L35-M38 VanDerWaalsContact O-N 3.17Å; L35-L43 HydrophobicContact CB-CD2 4.04Å; L35-L43 HydrophobicContact CD2-CD2 4.23Å; L35-F46 HydrophobicContact CD1-CD1 4.5Å; L35-F46 HydrophobicContact CD1-CE1 4.14Å; L35-F46 HydrophobicContact CD1-CZ 4.48Å; L35-F46 HydrophobicContact CD2-CD1 4.1Å; L35-F46 HydrophobicContact CD2-CD2 4.12Å; L35-F46 HydrophobicContact CD2-CE1 4.3Å; L35-F46 HydrophobicContact CD2-CE2 4.33Å; L35-F46 HydrophobicContact CD2-CG 4Å; L35-F46 HydrophobicContact CD2-CZ 4.42Å; L35-I59 HydrophobicContact CD1-CD1 3.65Å; L35-I75 HydrophobicContact CB-CD1 4.42Å; L35-I75 HydrophobicContact CB-CG2 3.85Å; L35-I75 HydrophobicContact CD1-CG2 3.94Å
36G97.7Very high97.2Very high22 Ų2260.4 Ų60.423%0.22731%0.307CS..G310 helixtrans-66-18.2174.600000114.5V27 S34V27-G36 PolarHBondContact O-N 2.96Å; S34-G36 PolarHBondContact O-N 3.21Å
37N97.9Very high97.3Very high107 Ų10759.8 Ų59.857%0.57231%0.306SS*.G310 helixtrans-99.5-2.5175.3-74.5-41.1000113.6E31 S34 L35E31-N37 PolarHBondContact O-ND2 3.09Å; S34-N37 PolarHBondContact O-N 3.22Å; S34-N37 PolarHBondContact OG-ND2 3.46Å; L35-N37 PolarHBondContact O-N 3.32Å
38M98.4Very high97.4Very high43 Ų4363 Ų6321%0.21232%0.323CS..  trans-83.9145.9-179.2-74.7-173.9-16900112.1P8 F33 S34 L35 E42 L43P8-M38 HydrophobicContact CB-CE 4.21Å; P8-M38 HydrophobicContact CG-CE 4.05Å; F33-M38 VanDerWaalsContact O-CE 3.25Å; F33-M38 WeakPolarHBondContact O-CE 3.33Å; S34-M38 PolarHBondContact O-N 2.98Å; L35-M38 HydrophobicContact CD2-CE 3.81Å; L35-M38 HydrophobicContact CD2-SD 3.6Å; L35-M38 WeakPolarHBondContact O-CB 3.36Å; L35-M38 PolarHBondContact O-N 2.9Å; L35-M38 VanDerWaalsContact O-N 3.17Å; M38-E42 WeakPolarHBondContact CA-OE2 3.43Å; M38-E42 HydrophobicContact CB-CB 3.73Å; M38-E42 HydrophobicContact CG-CB 3.87Å; M38-E42 HydrophobicContact SD-CB 4.04Å; M38-L43 HydrophobicContact CB-CD2 3.78Å; M38-L43 HydrophobicContact CB-CG 3.85Å; M38-L43 HydrophobicContact SD-CD2 4.25Å
39D98.3Very high97.5Very high86 Ų8660.3 Ų60.346%0.4631%0.308SS..  trans-78.3170.3167.577.424.9000112.7K41 E42 L43D39-K41 PolarHBondContact O-N 3.48Å; D39-K41 VanDerWaalsContact O-N 3.11Å; D39-K41 WeakPolarHBondContact OD1-CA 3.24Å; D39-K41 VanDerWaalsContact OD1-CB 3.28Å; D39-K41 WeakPolarHBondContact OD1-CB 3.36Å; D39-K41 PolarHBondContact OD1-N 3.33Å; D39-E42 PolarHBondContact N-OE2 3.04Å; D39-E42 PolarHBondContact O-N 3.37Å; D39-E42 VanDerWaalsContact O-N 3.1Å; D39-E42 PolarHBondContact OD1-N 3.48Å; D39-L43 WeakPolarHBondContact O-CG 3.47Å; D39-L43 PolarHBondContact O-N 2.9Å
40D98.6Very high97.7Very high94 Ų9457.7 Ų57.750%0.50329%0.294SS..Hα-helixtrans-53.3-33.3179.1-90.18.9000113.9S44 K78D40-S44 VanDerWaalsContact O-CB 3.28Å; D40-S44 WeakPolarHBondContact O-CB 3.43Å; D40-S44 PolarHBondContact O-N 3.39Å; D40-S44 VanDerWaalsContact O-N 3.1Å; D40-K78 WeakPolarHBondContact OD1-CE 3.4Å; D40-K78 IonicContact OD1-NZ 3.6Å; D40-K78 WeakPolarHBondContact OD2-CE 3.39Å; D40-K78 IonicContact OD2-NZ 2.85Å; D40-K78 PolarHBondContact OD2-NZ 3.11Å
41K98.6Very high98Very high169 Ų16965.4 Ų65.474%0.73532%0.322SS*.Hα-helixtrans-77.8-39.1-178.9179.4-175.7173.8-170.70110.4D39 A45D39-K41 PolarHBondContact O-N 3.48Å; D39-K41 VanDerWaalsContact O-N 3.11Å; D39-K41 WeakPolarHBondContact OD1-CA 3.24Å; D39-K41 VanDerWaalsContact OD1-CB 3.28Å; D39-K41 WeakPolarHBondContact OD1-CB 3.36Å; D39-K41 PolarHBondContact OD1-N 3.33Å; K41-A45 WeakPolarHBondContact O-CB 3.4Å; K41-A45 PolarHBondContact O-N 3.24Å
42E98.6Very high98.3Very high99 Ų9970.4 Ų70.446%0.46334%0.337SS..Hα-helixtrans-66-44.3175-70.1175.9133.400111.4M38 D39 S44 A45 F46M38-E42 WeakPolarHBondContact CA-OE2 3.43Å; M38-E42 HydrophobicContact CB-CB 3.73Å; M38-E42 HydrophobicContact CG-CB 3.87Å; M38-E42 HydrophobicContact SD-CB 4.04Å; D39-E42 PolarHBondContact N-OE2 3.04Å; D39-E42 PolarHBondContact O-N 3.37Å; D39-E42 VanDerWaalsContact O-N 3.1Å; D39-E42 PolarHBondContact OD1-N 3.48Å; E42-S44 PolarHBondContact O-N 3.38Å; E42-A45 PolarHBondContact O-N 2.84Å; E42-F46 PolarHBondContact O-N 3.49Å
43L98.8Very high98.4Very high8 Ų864.4 Ų64.44%0.04232%0.318CS..Hα-helixtrans-60.4-45.4174.3-69176.1000112.1L35 M38 D39 A45 F46 G47 I75 K78 T79L35-L43 HydrophobicContact CB-CD2 4.04Å; L35-L43 HydrophobicContact CD2-CD2 4.23Å; M38-L43 HydrophobicContact CB-CD2 3.78Å; M38-L43 HydrophobicContact CB-CG 3.85Å; M38-L43 HydrophobicContact SD-CD2 4.25Å; D39-L43 WeakPolarHBondContact O-CG 3.47Å; D39-L43 PolarHBondContact O-N 2.9Å; L43-A45 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 2.85Å; L43-F46 WeakPolarHBondContact O-CB 3.42Å; L43-F46 PolarHBondContact O-N 2.8Å; L43-G47 PolarHBondContact O-N 2.79Å; L43-I75 HydrophobicContact CD1-CG1 4.26Å; L43-I75 HydrophobicContact CD2-CG1 4.44Å; L43-I75 HydrophobicContact CD2-CG2 4.09Å; L43-K78 HydrophobicContact CB-CB 3.79Å; L43-K78 HydrophobicContact CD1-CB 3.9Å; L43-K78 HydrophobicContact CD1-CG 4.27Å; L43-K78 HydrophobicContact CG-CB 4.5Å; L43-T79 HydrophobicContact CB-CG2 4.08Å; L43-T79 HydrophobicContact CD2-CG2 3.85Å
44S98.7Very high98.5Very high55 Ų5565.8 Ų65.839%0.38533%0.33SS..Hα-helixtrans-62.5-40.8175.6-177.90000111.9D40 E42 F46 G47 D48D40-S44 VanDerWaalsContact O-CB 3.28Å; D40-S44 WeakPolarHBondContact O-CB 3.43Å; D40-S44 PolarHBondContact O-N 3.39Å; D40-S44 VanDerWaalsContact O-N 3.1Å; E42-S44 PolarHBondContact O-N 3.38Å; S44-F46 PolarHBondContact O-N 3.03Å; S44-G47 PolarHBondContact O-N 3.46Å; S44-D48 WeakPolarHBondContact O-CB 3.4Å; S44-D48 PolarHBondContact O-N 3.33Å
45A98.7Very high98.6Very high56 Ų5666.4 Ų66.446%0.46333%0.333SS..Hα-helixtrans-65.7-36.1176.200000112.9K41 E42 L43 K49K41-A45 WeakPolarHBondContact O-CB 3.4Å; K41-A45 PolarHBondContact O-N 3.24Å; E42-A45 PolarHBondContact O-N 2.84Å; L43-A45 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 2.85Å; A45-K49 PolarHBondContact O-N 3.11Å
46F98.8Very high98.6Very high8 Ų869.2 Ų69.24%0.03535%0.348CS..Hα-helixtrans-61.9-48.4171.5177.8-95.2000111P8 L12 I25 L35 E42 L43 S44 D48 K49 A50 I57 T79P8-F46 HydrophobicContact CB-CD2 4.09Å; P8-F46 HydrophobicContact CB-CE2 3.69Å; P8-F46 WeakPolarHBondContact O-CE2 3.48Å; L12-F46 HydrophobicContact CD1-CD2 3.74Å; L12-F46 HydrophobicContact CD1-CE1 4.47Å; L12-F46 HydrophobicContact CD1-CE2 3.44Å; L12-F46 VanDerWaalsContact CD1-CE2 3.44Å; L12-F46 HydrophobicContact CD1-CG 4.37Å; L12-F46 HydrophobicContact CD1-CZ 3.85Å; L12-F46 HydrophobicContact CD2-CE2 4.36Å; L12-F46 HydrophobicContact CD2-CZ 4.05Å; L12-F46 HydrophobicContact CG-CE2 3.73Å; L12-F46 HydrophobicContact CG-CZ 3.94Å; I25-F46 HydrophobicContact CD1-CZ 4.27Å; L35-F46 HydrophobicContact CD1-CD1 4.5Å; L35-F46 HydrophobicContact CD1-CE1 4.14Å; L35-F46 HydrophobicContact CD1-CZ 4.48Å; L35-F46 HydrophobicContact CD2-CD1 4.1Å; L35-F46 HydrophobicContact CD2-CD2 4.12Å; L35-F46 HydrophobicContact CD2-CE1 4.3Å; L35-F46 HydrophobicContact CD2-CE2 4.33Å; L35-F46 HydrophobicContact CD2-CG 4Å; L35-F46 HydrophobicContact CD2-CZ 4.42Å; E42-F46 PolarHBondContact O-N 3.49Å; L43-F46 WeakPolarHBondContact O-CB 3.42Å; L43-F46 PolarHBondContact O-N 2.8Å; S44-F46 PolarHBondContact O-N 3.03Å; F46-D48 PolarHBondContact O-N 3.11Å; F46-K49 WeakPolarHBondContact O-CB 3.34Å; F46-K49 PolarHBondContact O-N 3Å; F46-K49 VanDerWaalsContact O-N 3.15Å; F46-A50 PolarHBondContact O-N 3.16Å; F46-I57 HydrophobicContact CD1-CD1 3.93Å; F46-I57 HydrophobicContact CE1-CD1 3.62Å; F46-I57 HydrophobicContact CE1-CG1 4.05Å; F46-I57 HydrophobicContact CE1-CG2 4.15Å; F46-T79 HydrophobicContact CD1-CG2 3.77Å; F46-T79 HydrophobicContact CE1-CG2 4.47Å
47G98.8Very high98.6Very high4 Ų468.3 Ų68.34%0.04134%0.338CS..Hα-helixtrans-59-43.617500000113.6L43 S44 K49 A50 R51 T79L43-G47 PolarHBondContact O-N 2.79Å; S44-G47 PolarHBondContact O-N 3.46Å; G47-K49 VanDerWaalsContact C-N 3.3Å; G47-K49 PolarHBondContact O-N 3.08Å; G47-A50 PolarHBondContact O-N 3.33Å; G47-R51 WeakPolarHBondContact O-CB 3.45Å; G47-R51 PolarHBondContact O-N 2.86Å; G47-T79 WeakPolarHBondContact CA-O 3.23Å
48D98.8Very high98.7Very high70 Ų7063.9 Ų63.937%0.37431%0.314SS..Hα-helixtrans-63.3-36.2175.5-79.1-14.8000112.2S44 F46 R51 R52S44-D48 WeakPolarHBondContact O-CB 3.4Å; S44-D48 PolarHBondContact O-N 3.33Å; F46-D48 PolarHBondContact O-N 3.11Å; D48-R51 IonicContact OD1-CZ 3.72Å; D48-R51 IonicContact OD1-NH1 3.26Å; D48-R51 PolarHBondContact OD1-NH1 3.34Å; D48-R51 IonicContact OD1-NH2 3.37Å; D48-R52 VanDerWaalsContact O-CG 3.31Å; D48-R52 WeakPolarHBondContact O-CG 3.49Å; D48-R52 PolarHBondContact O-N 3.24Å
49K98.8Very high98.7Very high32 Ų3261.9 Ų61.914%0.13930%0.304CS..Hα-helixtrans-64.9-48.7173.4-177.6175.2-179-177.70111.1A9 L12 D13 A45 F46 G47 R51 R52 L53A9-K49 HydrophobicContact CB-CD 4.21Å; A9-K49 PolarHBondContact O-NZ 3.25Å; L12-K49 HydrophobicContact CD1-CB 4.02Å; L12-K49 HydrophobicContact CD1-CD 3.98Å; L12-K49 HydrophobicContact CD1-CG 3.88Å; D13-K49 WeakPolarHBondContact OD1-CE 3.47Å; D13-K49 IonicContact OD1-NZ 3.18Å; D13-K49 PolarHBondContact OD1-NZ 2.67Å; D13-K49 IonicContact OD2-NZ 2.62Å; D13-K49 PolarHBondContact OD2-NZ 3.46Å; A45-K49 PolarHBondContact O-N 3.11Å; F46-K49 WeakPolarHBondContact O-CB 3.34Å; F46-K49 PolarHBondContact O-N 3Å; F46-K49 VanDerWaalsContact O-N 3.15Å; G47-K49 VanDerWaalsContact C-N 3.3Å; G47-K49 PolarHBondContact O-N 3.08Å; K49-R51 VanDerWaalsContact C-N 3.32Å; K49-R51 PolarHBondContact O-N 3.37Å; K49-R52 PolarHBondContact O-N 3.02Å; K49-L53 HydrophobicContact CG-CD1 4.05Å; K49-L53 WeakPolarHBondContact O-CG 3.25Å; K49-L53 PolarHBondContact O-N 2.7Å
50A98.8Very high98.7Very high2 Ų258.3 Ų58.32%0.01728%0.284CS..Hα-helixtrans-58.6-44.4178.100000111.7L12 F46 G47 R52 L53 N54 L55 I57L12-A50 HydrophobicContact CD1-CB 4.05Å; L12-A50 HydrophobicContact CD2-CB 3.8Å; F46-A50 PolarHBondContact O-N 3.16Å; G47-A50 PolarHBondContact O-N 3.33Å; A50-R52 PolarHBondContact O-N 3Å; A50-L53 CarbonylContact O-C 3.52Å; A50-L53 PolarHBondContact O-N 3.43Å; A50-L53 VanDerWaalsContact O-N 3.1Å; A50-N54 PolarHBondContact O-N 3.39Å; A50-L55 HydrophobicContact CB-CB 4.5Å; A50-L55 PolarHBondContact O-N 3.24Å; A50-I57 HydrophobicContact CB-CD1 3.47Å; A50-I57 VanDerWaalsContact CB-CD1 3.47Å; A50-I57 HydrophobicContact CB-CG1 3.72Å
51R98.7Very high98.6Very high165 Ų16554.2 Ų54.262%0.62326%0.263SS*.Hα-helixtrans-60.2-42.6175.9-165.5-174.9-56.5119.77.8112.6G47 D48 K49 L53 N54G47-R51 WeakPolarHBondContact O-CB 3.45Å; G47-R51 PolarHBondContact O-N 2.86Å; D48-R51 IonicContact OD1-CZ 3.72Å; D48-R51 IonicContact OD1-NH1 3.26Å; D48-R51 PolarHBondContact OD1-NH1 3.34Å; D48-R51 IonicContact OD1-NH2 3.37Å; K49-R51 VanDerWaalsContact C-N 3.32Å; K49-R51 PolarHBondContact O-N 3.37Å; R51-L53 VanDerWaalsContact C-N 3.26Å; R51-L53 PolarHBondContact O-N 2.9Å; R51-N54 PolarHBondContact O-N 2.9Å; R51-N54 VanDerWaalsContact O-N 3.12Å
52R98.7Very high98.4Very high187 Ų18746.6 Ų46.671%0.70623%0.231SC*.Hα-helixtrans-63.9-31.7176-75.8-175.8-55.9110.5-2.8112.9D48 K49 A50 N54D48-R52 VanDerWaalsContact O-CG 3.31Å; D48-R52 WeakPolarHBondContact O-CG 3.49Å; D48-R52 PolarHBondContact O-N 3.24Å; K49-R52 PolarHBondContact O-N 3.02Å; A50-R52 PolarHBondContact O-N 3Å; R52-N54 VanDerWaalsContact C-N 3.32Å
53L98.6Very high98.3Very high47 Ų4742.6 Ų42.625%0.24621%0.214CC..Hα-helixtrans-87.3-1.7176.6-64174.2000112.8L12 K49 A50 R51 L55L12-L53 HydrophobicContact CB-CD1 3.96Å; K49-L53 HydrophobicContact CG-CD1 4.05Å; K49-L53 WeakPolarHBondContact O-CG 3.25Å; K49-L53 PolarHBondContact O-N 2.7Å; A50-L53 CarbonylContact O-C 3.52Å; A50-L53 PolarHBondContact O-N 3.43Å; A50-L53 VanDerWaalsContact O-N 3.1Å; R51-L53 VanDerWaalsContact C-N 3.26Å; R51-L53 PolarHBondContact O-N 2.9Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 HydrophobicContact CB-CD1 3.86Å; L53-L55 HydrophobicContact CB-CG 3.98Å; L53-L55 HydrophobicContact CD1-CD1 4.2Å; L53-L55 PolarHBondContact O-N 2.93Å
54N98.4Very high98.2Very high125 Ų12542.2 Ų42.267%0.66821%0.213SC*.THydrogen-bonded Turntrans54.945.8-175.9-16972.5000112.4A50 R51 R52A50-N54 PolarHBondContact O-N 3.39Å; R51-N54 PolarHBondContact O-N 2.9Å; R51-N54 VanDerWaalsContact O-N 3.12Å; R52-N54 VanDerWaalsContact C-N 3.32Å
55L98.8Very high98.1Very high14 Ų1442.4 Ų42.47%0.07321%0.209CC..  trans-110.8135.1177.2-66.4173.6000110L12 A15 R21 A50 L53L12-L55 HydrophobicContact CB-CD1 4.21Å; L12-L55 HydrophobicContact CD2-CD1 4.01Å; L12-L55 WeakPolarHBondContact O-CD1 3.21Å; A15-L55 HydrophobicContact CB-CD1 4Å; A15-L55 HydrophobicContact CB-CD2 4.25Å; R21-L55 WeakPolarHBondContact O-CA 3.16Å; A50-L55 HydrophobicContact CB-CB 4.5Å; A50-L55 PolarHBondContact O-N 3.24Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 HydrophobicContact CB-CD1 3.86Å; L53-L55 HydrophobicContact CB-CG 3.98Å; L53-L55 HydrophobicContact CD1-CD1 4.2Å; L53-L55 PolarHBondContact O-N 2.93Å
56D98.6Very high98.1Very high60 Ų6045.1 Ų45.132%0.32121%0.211SC..EExtended strand (participates in β ladder)trans-74.6155.8165.8-163.714.6000111.1R21 G22 V23 H58 S82R21-D56 PolarHBondContact O-N 2.8Å; G22-D56 CarbonylContact C-O 3.52Å; G22-D56 WeakPolarHBondContact CA-O 3.4Å; V23-D56 PolarHBondContact N-O 3.18Å; D56-H58 IonicContact OD2-CE1 2.84Å; D56-H58 PolarHBondContact OD2-CE1 3Å; D56-H58 VanDerWaalsContact OD2-CE1 3.26Å; D56-H58 IonicContact OD2-NE2 3.1Å; D56-H58 PolarHBondContact OD2-NE2 3.12Å; D56-S82 VanDerWaalsContact CG-OG 3.27Å; D56-S82 WeakPolarHBondContact OD1-CB 3.45Å; D56-S82 PolarHBondContact OD1-OG 3.22Å; D56-S82 WeakPolarHBondContact OD2-CB 3.34Å; D56-S82 PolarHBondContact OD2-OG 2.91Å
57I98.8Very high98.1Very high4 Ų447.9 Ų47.92%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-121.3130.3175.6-59.9161.4000108.1V23 I25 F46 A50 I59 A81 S82V23-I57 HydrophobicContact CG2-CG1 4.28Å; I25-I57 HydrophobicContact CG2-CG2 4.28Å; F46-I57 HydrophobicContact CD1-CD1 3.93Å; F46-I57 HydrophobicContact CE1-CD1 3.62Å; F46-I57 HydrophobicContact CE1-CG1 4.05Å; F46-I57 HydrophobicContact CE1-CG2 4.15Å; A50-I57 HydrophobicContact CB-CD1 3.47Å; A50-I57 VanDerWaalsContact CB-CD1 3.47Å; A50-I57 HydrophobicContact CB-CG1 3.72Å; I57-I59 HydrophobicContact CG2-CD1 3.68Å; I57-I59 HydrophobicContact CG2-CG1 4.32Å; I57-A81 HydrophobicContact CB-CB 3.86Å; I57-A81 HydrophobicContact CG2-CB 3.74Å; I57-A81 CarbonylContact O-C 3.43Å; I57-A81 WeakPolarHBondContact O-CA 3.45Å; I57-A81 WeakPolarHBondContact O-CB 3.37Å; I57-S82 PolarHBondContact O-N 3.32Å
58H98.7Very high98Very high14 Ų1448.9 Ų48.97%0.06524%0.241CC..EExtended strand (participates in β ladder)trans-117.5120.2169-53.4-87.6000108.2V23 K24 I25 D56 S82 S83V23-H58 PolarHBondContact O-N 3.2Å; K24-H58 WeakPolarHBondContact CA-O 3.48Å; K24-H58 HydrophobicContact CB-CB 4.49Å; K24-H58 HydrophobicContact CG-CB 3.99Å; I25-H58 PolarHBondContact N-O 3.23Å; D56-H58 IonicContact OD2-CE1 2.84Å; D56-H58 PolarHBondContact OD2-CE1 3Å; D56-H58 VanDerWaalsContact OD2-CE1 3.26Å; D56-H58 IonicContact OD2-NE2 3.1Å; D56-H58 PolarHBondContact OD2-NE2 3.12Å; H58-S82 PolarHBondContact CE1-OG 3.46Å; H58-S83 WeakPolarHBondContact CB-OG 3.39Å; H58-S83 PolarHBondContact ND1-OG 2.63Å
59I98.8Very high98Very high0 Ų045.5 Ų45.50%022%0.223CC..EExtended strand (participates in β ladder)trans-88.2140.7179.1-61.1-55.7000109.6I25 V27 L35 I57 A72 I75 A76 A81 S83 V84 R85I25-I59 HydrophobicContact CG2-CD1 3.9Å; V27-I59 HydrophobicContact CG1-CG2 3.57Å; L35-I59 HydrophobicContact CD1-CD1 3.65Å; I57-I59 HydrophobicContact CG2-CD1 3.68Å; I57-I59 HydrophobicContact CG2-CG1 4.32Å; I59-A72 HydrophobicContact CG2-CB 4.15Å; I59-I75 HydrophobicContact CD1-CG2 3.77Å; I59-I75 HydrophobicContact CG1-CG2 4.13Å; I59-I75 HydrophobicContact CG2-CG2 4.35Å; I59-A76 HydrophobicContact CB-CB 4.29Å; I59-A76 HydrophobicContact CG1-CB 3.82Å; I59-A81 HydrophobicContact CD1-CB 4.44Å; I59-A81 HydrophobicContact CG1-CB 3.76Å; I59-S83 PolarHBondContact N-O 3.15Å; I59-V84 HydrophobicContact CB-CG2 4.44Å; I59-V84 CarbonylContact O-C 3.16Å; I59-V84 VanDerWaalsContact O-CA 3.3Å; I59-V84 WeakPolarHBondContact O-CA 3.36Å; I59-R85 PolarHBondContact O-N 3.38Å
60E98.2Very high98Very high12 Ų1246.6 Ų46.66%0.05623%0.231CC..EExtended strand (participates in β ladder)trans-128.4141.1-178-47.2-162.5118.500111.7K24 I25 H26 V27 R85 H175K24-E60 HydrophobicContact CB-CG 4.42Å; K24-E60 IonicContact NZ-OE1 2.64Å; I25-E60 PolarHBondContact O-N 2.97Å; H26-E60 CarbonylContact C-O 3.55Å; H26-E60 VanDerWaalsContact CA-O 3.29Å; H26-E60 WeakPolarHBondContact CA-O 3.41Å; H26-E60 HydrophobicContact CB-CB 4.48Å; H26-E60 PolarHBondContact CD2-O 3.4Å; V27-E60 PolarHBondContact N-O 3.29Å; E60-R85 CarbonylContact C-O 3.57Å; E60-R85 WeakPolarHBondContact CA-O 3.4Å; E60-R85 HydrophobicContact CB-CB 4.43Å; E60-R85 VanDerWaalsContact CD-CZ 3.48Å; E60-R85 HydrophobicContact CG-CB 4.11Å; E60-R85 IonicContact OE1-CZ 3.57Å; E60-R85 IonicContact OE1-NE 3.76Å; E60-R85 PolarHBondContact OE1-NE 2.99Å; E60-R85 IonicContact OE1-NH2 2.58Å; E60-R85 PolarHBondContact OE1-NH2 3.23Å; E60-R85 IonicContact OE2-CZ 3.13Å; E60-R85 IonicContact OE2-NE 3.54Å; E60-R85 IonicContact OE2-NH2 3.08Å; E60-R85 PolarHBondContact OE2-NH2 3.23Å; E60-H175 IonicContact OE1-CE1 3.47Å; E60-H175 PolarHBondContact OE1-CE1 2.54Å; E60-H175 VanDerWaalsContact OE1-CE1 3.26Å; E60-H175 IonicContact OE1-NE2 3.81Å; E60-H175 PolarHBondContact OE1-NE2 2.74Å; E60-H175 VanDerWaalsContact OE1-NE2 3.13Å
61T97.3Very high98Very high7 Ų750.4 Ų50.44%0.04325%0.248CC..EExtended strand (participates in β ladder)trans-138.6146174.5-175.30000111.1H26 A63 A72 R85 F86H26-T61 WeakPolarHBondContact NE2-CA 3.33Å; T61-A63 VanDerWaalsContact C-N 3.29Å; T61-A63 WeakPolarHBondContact CG2-O 3.45Å; T61-A63 PolarHBondContact O-N 3.39Å; T61-A72 HydrophobicContact CG2-CB 3.85Å; T61-R85 PolarHBondContact N-O 3.43Å; T61-F86 HydrophobicContact CG2-CB 3.81Å; T61-F86 VanDerWaalsContact O-CA 3.32Å; T61-F86 WeakPolarHBondContact O-CA 3.46Å
62S95.2Very high98Very high10 Ų1042.6 Ų42.67%0.0722%0.219CC..SBendtrans-95.233.3-176.1-60.90000112.8H26 Y87 R89H26-S62 PolarHBondContact CD2-OG 3.5Å; H26-S62 PolarHBondContact NE2-N 3.43Å; H26-S62 PolarHBondContact NE2-OG 3.01Å; S62-Y87 CarbonylContact C-O 3.55Å; S62-Y87 VanDerWaalsContact CA-CE1 3.4Å; S62-Y87 VanDerWaalsContact CB-CE1 3.46Å; S62-Y87 VanDerWaalsContact CB-CZ 3.46Å; S62-Y87 VanDerWaalsContact CB-OH 3.31Å; S62-Y87 WeakPolarHBondContact CB-OH 3.48Å; S62-Y87 VanDerWaalsContact OG-CE1 3.24Å; S62-Y87 WeakPolarHBondContact OG-CE1 3.35Å; S62-Y87 PolarHBondContact OG-OH 3.44Å; S62-R89 VanDerWaalsContact O-CZ 3.31Å; S62-R89 PolarHBondContact O-NE 3.35Å; S62-R89 PolarHBondContact O-NH2 3.21Å
63A95.4Very high98Very high14 Ų1433.7 Ų33.712%0.11619%0.185CC..  trans-159.6154.9178.200000111.3T61 S68 Y87T61-A63 VanDerWaalsContact C-N 3.29Å; T61-A63 WeakPolarHBondContact CG2-O 3.45Å; T61-A63 PolarHBondContact O-N 3.39Å; A63-S68 WeakPolarHBondContact CB-OG 3.34Å; A63-Y87 WeakPolarHBondContact CA-O 3.35Å; A63-Y87 PolarHBondContact N-O 2.97Å
64S96.3Very high98Very high1 Ų133.9 Ų33.91%0.00719%0.194CC..  trans-112.1-0.9177.2580000114.1I69 P88 Y90 D104S64-I69 WeakPolarHBondContact O-CG1 3.35Å; S64-P88 WeakPolarHBondContact OG-CB 3.29Å; S64-Y90 VanDerWaalsContact OG-CE2 3.28Å; S64-Y90 WeakPolarHBondContact OG-CE2 3.2Å; S64-Y90 PolarHBondContact OG-OH 2.91Å; S64-D104 WeakPolarHBondContact CB-OD2 3.3Å; S64-D104 WeakPolarHBondContact O-CB 3.41Å; S64-D104 VanDerWaalsContact O-CG 3.28Å; S64-D104 PolarHBondContact OG-OD2 3.47Å
65D97Very high98Very high58 Ų5828.3 Ų28.331%0.3116%0.164SC..SBendtrans-65.7155.9178.675.389.9000111.4A67 S68 I69 Y90D65-A67 VanDerWaalsContact C-N 3.29Å; D65-A67 PolarHBondContact O-N 3.2Å; D65-A67 WeakPolarHBondContact OD1-CB 3.05Å; D65-A67 PolarHBondContact OD1-N 3.07Å; D65-A67 VanDerWaalsContact OD1-N 3.1Å; D65-S68 PolarHBondContact O-N 2.64Å; D65-S68 VanDerWaalsContact O-N 3.12Å; D65-S68 PolarHBondContact OD1-N 2.74Å; D65-S68 WeakPolarHBondContact OD2-CB 3.01Å; D65-S68 PolarHBondContact OD2-OG 3.43Å; D65-I69 WeakPolarHBondContact O-CG1 3.2Å; D65-I69 PolarHBondContact O-N 2.99Å; D65-Y90 PolarHBondContact N-OH 3Å
66K98.2Very high98Very high113 Ų11327.7 Ų27.749%0.49116%0.16SC..Hα-helixtrans-52.1-44-173.7-56.8-169.9174.4-175.80113.7I69 D70 Y107K66-I69 PolarHBondContact O-N 3.41Å; K66-D70 WeakPolarHBondContact O-CB 3.44Å; K66-D70 PolarHBondContact O-N 3.14Å; K66-Y107 HydrophobicContact CB-CD1 4.07Å; K66-Y107 HydrophobicContact CB-CE1 3.63Å; K66-Y107 HydrophobicContact CD-CD1 4.1Å; K66-Y107 HydrophobicContact CD-CD2 3.87Å; K66-Y107 HydrophobicContact CD-CE1 4.05Å; K66-Y107 HydrophobicContact CD-CE2 3.84Å; K66-Y107 HydrophobicContact CD-CG 3.98Å; K66-Y107 HydrophobicContact CG-CD1 3.6Å; K66-Y107 HydrophobicContact CG-CD2 4.3Å; K66-Y107 HydrophobicContact CG-CE1 3.65Å; K66-Y107 HydrophobicContact CG-CE2 4.36Å; K66-Y107 HydrophobicContact CG-CG 3.92Å
67A98.3Very high98Very high67 Ų6729.3 Ų29.355%0.55417%0.168SC*.Hα-helixtrans-67.4-42.2-176.300000111.2D65 D70 E71D65-A67 VanDerWaalsContact C-N 3.29Å; D65-A67 PolarHBondContact O-N 3.2Å; D65-A67 WeakPolarHBondContact OD1-CB 3.05Å; D65-A67 PolarHBondContact OD1-N 3.07Å; D65-A67 VanDerWaalsContact OD1-N 3.1Å; A67-D70 PolarHBondContact O-N 2.67Å; A67-E71 WeakPolarHBondContact O-CB 3.31Å; A67-E71 PolarHBondContact O-N 3.05Å
68S98Very high98Very high24 Ų2433.6 Ų33.617%0.16819%0.187CC..Hα-helixtrans-65.9-39.6176.9-59.40000112.5A63 D65 A72A63-S68 WeakPolarHBondContact CB-OG 3.34Å; D65-S68 PolarHBondContact O-N 2.64Å; D65-S68 VanDerWaalsContact O-N 3.12Å; D65-S68 PolarHBondContact OD1-N 2.74Å; D65-S68 WeakPolarHBondContact OD2-CB 3.01Å; D65-S68 PolarHBondContact OD2-OG 3.43Å; S68-A72 WeakPolarHBondContact O-CB 3.47Å; S68-A72 PolarHBondContact O-N 2.92Å
69I98.6Very high98Very high0 Ų033 Ų330%019%0.185CC..Hα-helixtrans-65.8-48.1174.9-69-61.4000111S64 D65 K66 E71 A72 V73 F86 V108 Y112S64-I69 WeakPolarHBondContact O-CG1 3.35Å; D65-I69 WeakPolarHBondContact O-CG1 3.2Å; D65-I69 PolarHBondContact O-N 2.99Å; K66-I69 PolarHBondContact O-N 3.41Å; I69-E71 VanDerWaalsContact C-N 3.29Å; I69-E71 PolarHBondContact O-N 2.88Å; I69-A72 PolarHBondContact O-N 3.4Å; I69-V73 HydrophobicContact CG2-CG2 4.25Å; I69-V73 WeakPolarHBondContact O-CB 3.28Å; I69-V73 WeakPolarHBondContact O-CG2 3.41Å; I69-V73 PolarHBondContact O-N 2.75Å; I69-F86 HydrophobicContact CD1-CB 4.01Å; I69-F86 HydrophobicContact CD1-CD1 3.86Å; I69-F86 HydrophobicContact CD1-CD2 4.42Å; I69-F86 HydrophobicContact CD1-CE1 4.43Å; I69-F86 HydrophobicContact CD1-CG 3.85Å; I69-V108 HydrophobicContact CD1-CG2 4.21Å; I69-V108 HydrophobicContact CG1-CG2 4.12Å; I69-V108 HydrophobicContact CG2-CG2 3.83Å; I69-Y112 HydrophobicContact CG2-CD2 4.14Å; I69-Y112 HydrophobicContact CG2-CE2 3.96Å
70D98.7Very high98Very high54 Ų5435.5 Ų35.529%0.28921%0.21SC..Hα-helixtrans-59.4-42.3-179.1-72-2000111.2K66 A67 A74 Y107 Y112K66-D70 WeakPolarHBondContact O-CB 3.44Å; K66-D70 PolarHBondContact O-N 3.14Å; A67-D70 PolarHBondContact O-N 2.67Å; D70-A74 VanDerWaalsContact O-CB 3.27Å; D70-A74 WeakPolarHBondContact O-CB 3.45Å; D70-A74 PolarHBondContact O-N 3.01Å; D70-Y107 WeakPolarHBondContact OD1-CE1 3.29Å; D70-Y107 PolarHBondContact OD1-OH 3.28Å; D70-Y107 PolarHBondContact OD2-OH 3.01Å; D70-Y112 WeakPolarHBondContact OD1-CE2 3.34Å; D70-Y112 PolarHBondContact OD1-OH 3.2Å
71E98.6Very high98.1Very high83 Ų8335.4 Ų35.439%0.38821%0.211SC..Hα-helixtrans-62.4-51.1175.1-179.5176.6-144.100111.6A67 I69 V73 A74 I75A67-E71 WeakPolarHBondContact O-CB 3.31Å; A67-E71 PolarHBondContact O-N 3.05Å; I69-E71 VanDerWaalsContact C-N 3.29Å; I69-E71 PolarHBondContact O-N 2.88Å; E71-V73 VanDerWaalsContact C-N 3.33Å; E71-V73 PolarHBondContact O-N 3.37Å; E71-A74 PolarHBondContact O-N 3.41Å; E71-I75 HydrophobicContact CG-CD1 3.95Å; E71-I75 WeakPolarHBondContact O-CG1 3.44Å; E71-I75 PolarHBondContact O-N 3.3Å
72A98.8Very high98.1Very high0 Ų037 Ų370%022%0.222CC..Hα-helixtrans-61.4-40.8-179.700000112.2V27 I59 T61 S68 I69 I75 A76 V84V27-A72 HydrophobicContact CG1-CB 4.23Å; I59-A72 HydrophobicContact CG2-CB 4.15Å; T61-A72 HydrophobicContact CG2-CB 3.85Å; S68-A72 WeakPolarHBondContact O-CB 3.47Å; S68-A72 PolarHBondContact O-N 2.92Å; I69-A72 PolarHBondContact O-N 3.4Å; A72-I75 PolarHBondContact O-N 3.14Å; A72-A76 WeakPolarHBondContact O-CB 3.31Å; A72-A76 PolarHBondContact O-N 3.28Å; A72-V84 HydrophobicContact CB-CG1 3.85Å
73V98.8Very high98.3Very high1 Ų136.5 Ų36.51%0.00622%0.219CC..Hα-helixtrans-67.4-42.6175.9171.60000111.3I69 E71 I75 A76 L77 V84 Y112 L117 F119I69-V73 HydrophobicContact CG2-CG2 4.25Å; I69-V73 WeakPolarHBondContact O-CB 3.28Å; I69-V73 WeakPolarHBondContact O-CG2 3.41Å; I69-V73 PolarHBondContact O-N 2.75Å; E71-V73 VanDerWaalsContact C-N 3.33Å; E71-V73 PolarHBondContact O-N 3.37Å; V73-I75 VanDerWaalsContact C-N 3.31Å; V73-I75 PolarHBondContact O-N 2.88Å; V73-A76 PolarHBondContact O-N 3.34Å; V73-L77 HydrophobicContact CG1-CD1 3.84Å; V73-L77 HydrophobicContact CG1-CG 4.16Å; V73-L77 VanDerWaalsContact O-CG 3.3Å; V73-L77 WeakPolarHBondContact O-CG 2.95Å; V73-L77 PolarHBondContact O-N 3.11Å; V73-V84 HydrophobicContact CG2-CG2 4.21Å; V73-Y112 HydrophobicContact CB-CD1 4.48Å; V73-Y112 HydrophobicContact CB-CE1 4.2Å; V73-Y112 HydrophobicContact CB-CE2 4.31Å; V73-Y112 HydrophobicContact CG1-CD1 3.62Å; V73-Y112 HydrophobicContact CG1-CE1 3.49Å; V73-Y112 VanDerWaalsContact CG1-CE1 3.49Å; V73-Y112 HydrophobicContact CG1-CE2 4.41Å; V73-Y112 HydrophobicContact CG1-CG 4.12Å; V73-Y112 HydrophobicContact CG2-CD1 4.5Å; V73-Y112 HydrophobicContact CG2-CD2 3.99Å; V73-Y112 HydrophobicContact CG2-CE2 4.09Å; V73-Y112 HydrophobicContact CG2-CG 4.19Å; V73-L117 HydrophobicContact CB-CD1 4.44Å; V73-L117 HydrophobicContact CG1-CD1 3.83Å; V73-L117 HydrophobicContact CG2-CD1 4.33Å; V73-F119 HydrophobicContact CG2-CE1 3.74Å; V73-F119 HydrophobicContact CG2-CZ 3.94Å
74A98.7Very high98.4Very high51 Ų5135.8 Ų35.842%0.42121%0.214SC..Hα-helixtrans-58.8-45.4176.100000111.1D70 E71 L77 K78D70-A74 VanDerWaalsContact O-CB 3.27Å; D70-A74 WeakPolarHBondContact O-CB 3.45Å; D70-A74 PolarHBondContact O-N 3.01Å; E71-A74 PolarHBondContact O-N 3.41Å; A74-L77 PolarHBondContact O-N 3.45Å; A74-K78 WeakPolarHBondContact O-CB 3.41Å; A74-K78 WeakPolarHBondContact O-CG 3.43Å; A74-K78 PolarHBondContact O-N 3.17Å
75I98.9Very high98.5Very high8 Ų836.2 Ų36.24%0.04122%0.215CC..Hα-helixtrans-61.1-47174.7-68.8165.2000110.8V27 L35 L43 I59 E71 A72 V73 L77 K78 T79V27-I75 HydrophobicContact CB-CD1 3.93Å; V27-I75 HydrophobicContact CG1-CD1 3.62Å; L35-I75 HydrophobicContact CB-CD1 4.42Å; L35-I75 HydrophobicContact CB-CG2 3.85Å; L35-I75 HydrophobicContact CD1-CG2 3.94Å; L43-I75 HydrophobicContact CD1-CG1 4.26Å; L43-I75 HydrophobicContact CD2-CG1 4.44Å; L43-I75 HydrophobicContact CD2-CG2 4.09Å; I59-I75 HydrophobicContact CD1-CG2 3.77Å; I59-I75 HydrophobicContact CG1-CG2 4.13Å; I59-I75 HydrophobicContact CG2-CG2 4.35Å; E71-I75 HydrophobicContact CG-CD1 3.95Å; E71-I75 WeakPolarHBondContact O-CG1 3.44Å; E71-I75 PolarHBondContact O-N 3.3Å; A72-I75 PolarHBondContact O-N 3.14Å; V73-I75 VanDerWaalsContact C-N 3.31Å; V73-I75 PolarHBondContact O-N 2.88Å; I75-L77 PolarHBondContact O-N 3.46Å; I75-K78 PolarHBondContact O-N 2.96Å; I75-T79 HydrophobicContact CG2-CG2 4.19Å; I75-T79 WeakPolarHBondContact O-CB 3.44Å; I75-T79 VanDerWaalsContact O-CG2 3.29Å; I75-T79 WeakPolarHBondContact O-CG2 3.5Å; I75-T79 PolarHBondContact O-N 3.46Å; I75-T79 PolarHBondContact O-OG1 2.93Å
76A98.9Very high98.6Very high0 Ų033.5 Ų33.50%020%0.2CC..Hα-helixtrans-58.3-47.4-18000000111.9I59 A72 V73 K78 T79 G80 A81 V84 L117I59-A76 HydrophobicContact CB-CB 4.29Å; I59-A76 HydrophobicContact CG1-CB 3.82Å; A72-A76 WeakPolarHBondContact O-CB 3.31Å; A72-A76 PolarHBondContact O-N 3.28Å; V73-A76 PolarHBondContact O-N 3.34Å; A76-K78 PolarHBondContact O-N 3.18Å; A76-T79 PolarHBondContact O-N 3.24Å; A76-T79 PolarHBondContact O-OG1 2.93Å; A76-G80 PolarHBondContact O-N 3.41Å; A76-A81 HydrophobicContact CB-CB 3.92Å; A76-A81 PolarHBondContact O-N 3.33Å; A76-V84 HydrophobicContact CB-CG2 3.68Å; A76-L117 HydrophobicContact CB-CD1 3.94Å; A76-L117 HydrophobicContact CB-CD2 3.93Å
77L98.8Very high98.4Very high94 Ų9428.4 Ų28.449%0.49218%0.178SC..Hα-helixtrans-65.3-37.8178.9-66.6174.8000112.6V73 A74 I75 L117V73-L77 HydrophobicContact CG1-CD1 3.84Å; V73-L77 HydrophobicContact CG1-CG 4.16Å; V73-L77 VanDerWaalsContact O-CG 3.3Å; V73-L77 WeakPolarHBondContact O-CG 2.95Å; V73-L77 PolarHBondContact O-N 3.11Å; A74-L77 PolarHBondContact O-N 3.45Å; I75-L77 PolarHBondContact O-N 3.46Å; L77-L117 HydrophobicContact CD2-CD1 4.04Å; L77-L117 HydrophobicContact CD2-CG 4.22Å; L77-L117 HydrophobicContact CG-CD1 4.21Å
78K98.7Very high98.2Very high94 Ų9425.4 Ų25.441%0.40915%0.153SC..Hα-helixtrans-74.8-32.4-179.8-66.4-73.7177.9169.40113D40 L43 A74 I75 A76D40-K78 WeakPolarHBondContact OD1-CE 3.4Å; D40-K78 IonicContact OD1-NZ 3.6Å; D40-K78 WeakPolarHBondContact OD2-CE 3.39Å; D40-K78 IonicContact OD2-NZ 2.85Å; D40-K78 PolarHBondContact OD2-NZ 3.11Å; L43-K78 HydrophobicContact CB-CB 3.79Å; L43-K78 HydrophobicContact CD1-CB 3.9Å; L43-K78 HydrophobicContact CD1-CG 4.27Å; L43-K78 HydrophobicContact CG-CB 4.5Å; A74-K78 WeakPolarHBondContact O-CB 3.41Å; A74-K78 WeakPolarHBondContact O-CG 3.43Å; A74-K78 PolarHBondContact O-N 3.17Å; I75-K78 PolarHBondContact O-N 2.96Å; A76-K78 PolarHBondContact O-N 3.18Å
79T98.8Very high98Very high3 Ų326.6 Ų26.62%0.01815%0.154CC..Hα-helixtrans-85.9-16.1177.457.60000112.7L43 F46 G47 I75 A76L43-T79 HydrophobicContact CB-CG2 4.08Å; L43-T79 HydrophobicContact CD2-CG2 3.85Å; F46-T79 HydrophobicContact CD1-CG2 3.77Å; F46-T79 HydrophobicContact CE1-CG2 4.47Å; G47-T79 WeakPolarHBondContact CA-O 3.23Å; I75-T79 HydrophobicContact CG2-CG2 4.19Å; I75-T79 WeakPolarHBondContact O-CB 3.44Å; I75-T79 VanDerWaalsContact O-CG2 3.29Å; I75-T79 WeakPolarHBondContact O-CG2 3.5Å; I75-T79 PolarHBondContact O-N 3.46Å; I75-T79 PolarHBondContact O-OG1 2.93Å; A76-T79 PolarHBondContact O-N 3.24Å; A76-T79 PolarHBondContact O-OG1 2.93Å
80G98.6Very high97.8Very high51 Ų5128.9 Ų28.953%0.52616%0.163SC..THydrogen-bonded Turntrans75.229.2-175.100000113.2A76A76-G80 PolarHBondContact O-N 3.41Å
81A98.8Very high97.7Very high11 Ų1131.4 Ų31.49%0.09117%0.173CC..  trans-64.4154.6173.700000112.2I57 I59 A76 L117I57-A81 HydrophobicContact CB-CB 3.86Å; I57-A81 HydrophobicContact CG2-CB 3.74Å; I57-A81 CarbonylContact O-C 3.43Å; I57-A81 WeakPolarHBondContact O-CA 3.45Å; I57-A81 WeakPolarHBondContact O-CB 3.37Å; I59-A81 HydrophobicContact CD1-CB 4.44Å; I59-A81 HydrophobicContact CG1-CB 3.76Å; A76-A81 HydrophobicContact CB-CB 3.92Å; A76-A81 PolarHBondContact O-N 3.33Å; A81-L117 VanDerWaalsContact O-CD2 3.23Å; A81-L117 WeakPolarHBondContact O-CD2 3.23Å
82S98.5Very high97.7Very high39 Ų3927.8 Ų27.827%0.27316%0.158SC..SBendtrans-92-23.4178.965.90000113.3D56 I57 H58 T118D56-S82 VanDerWaalsContact CG-OG 3.27Å; D56-S82 WeakPolarHBondContact OD1-CB 3.45Å; D56-S82 PolarHBondContact OD1-OG 3.22Å; D56-S82 WeakPolarHBondContact OD2-CB 3.34Å; D56-S82 PolarHBondContact OD2-OG 2.91Å; I57-S82 PolarHBondContact O-N 3.32Å; H58-S82 PolarHBondContact CE1-OG 3.46Å; S82-T118 PolarHBondContact O-N 2.79Å; S82-T118 PolarHBondContact O-OG1 3.46Å
83S98.6Very high97.6Very high0 Ų030.6 Ų30.60%017%0.173CC..EExtended strand (participates in β ladder)trans-147.7157.3-175.376.30000114.8H58 I59 T118 Q173H58-S83 WeakPolarHBondContact CB-OG 3.39Å; H58-S83 PolarHBondContact ND1-OG 2.63Å; I59-S83 PolarHBondContact N-O 3.15Å; S83-T118 CarbonylContact C-O 3.51Å; S83-T118 WeakPolarHBondContact CA-O 3.27Å; S83-T118 WeakPolarHBondContact CB-O 3.44Å; S83-T118 WeakPolarHBondContact CB-OG1 3.38Å; S83-Q173 PolarHBondContact OG-NE2 3.44Å
84V98.8Very high97.6Very high0 Ų031 Ų310%018%0.175CC..EExtended strand (participates in β ladder)trans-119.3119.6167.1177.40000109.5I59 A72 V73 A76 L117 T118 F119 T120I59-V84 HydrophobicContact CB-CG2 4.44Å; I59-V84 CarbonylContact O-C 3.16Å; I59-V84 VanDerWaalsContact O-CA 3.3Å; I59-V84 WeakPolarHBondContact O-CA 3.36Å; A72-V84 HydrophobicContact CB-CG1 3.85Å; V73-V84 HydrophobicContact CG2-CG2 4.21Å; A76-V84 HydrophobicContact CB-CG2 3.68Å; V84-L117 HydrophobicContact CG2-CD1 4.18Å; V84-T118 PolarHBondContact N-O 3.08Å; V84-F119 HydrophobicContact CB-CD1 3.91Å; V84-F119 HydrophobicContact CB-CE1 3.91Å; V84-F119 HydrophobicContact CG1-CD1 4.4Å; V84-F119 HydrophobicContact CG1-CE1 4.41Å; V84-F119 HydrophobicContact CG2-CE1 4.32Å; V84-F119 WeakPolarHBondContact O-CA 3.3Å; V84-T120 PolarHBondContact O-N 2.93Å; V84-T120 VanDerWaalsContact O-N 3.09Å
85R98.6Very high97.6Very high10 Ų1036.4 Ų36.44%0.03818%0.184CC..EExtended strand (participates in β ladder)trans-95.6135.2169.7-178.8-90.3-72.4-172.71.4109.6I59 E60 T61 Y87 T120 E122 L147I59-R85 PolarHBondContact O-N 3.38Å; E60-R85 CarbonylContact C-O 3.57Å; E60-R85 WeakPolarHBondContact CA-O 3.4Å; E60-R85 HydrophobicContact CB-CB 4.43Å; E60-R85 VanDerWaalsContact CD-CZ 3.48Å; E60-R85 HydrophobicContact CG-CB 4.11Å; E60-R85 IonicContact OE1-CZ 3.57Å; E60-R85 IonicContact OE1-NE 3.76Å; E60-R85 PolarHBondContact OE1-NE 2.99Å; E60-R85 IonicContact OE1-NH2 2.58Å; E60-R85 PolarHBondContact OE1-NH2 3.23Å; E60-R85 IonicContact OE2-CZ 3.13Å; E60-R85 IonicContact OE2-NE 3.54Å; E60-R85 IonicContact OE2-NH2 3.08Å; E60-R85 PolarHBondContact OE2-NH2 3.23Å; T61-R85 PolarHBondContact N-O 3.43Å; R85-Y87 VanDerWaalsContact NH1-CD1 3.29Å; R85-T120 WeakPolarHBondContact CA-O 3.23Å; R85-T120 WeakPolarHBondContact CA-OG1 3.22Å; R85-T120 WeakPolarHBondContact CB-OG1 2.95Å; R85-T120 WeakPolarHBondContact CG-OG1 3.49Å; R85-E122 WeakPolarHBondContact CD-OE2 3.4Å; R85-E122 HydrophobicContact CG-CB 4.14Å; R85-E122 IonicContact CZ-OE2 3.3Å; R85-E122 IonicContact NE-OE2 2.8Å; R85-E122 PolarHBondContact NE-OE2 2.82Å; R85-E122 IonicContact NH1-OE2 3.78Å; R85-E122 PolarHBondContact NH1-OE2 3.48Å; R85-E122 IonicContact NH2-OE2 2.93Å; R85-L147 HydrophobicContact CG-CD1 3.77Å
86F98Very high97.5Very high1 Ų140.2 Ų40.20%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-136.7159.5171.164.6-88.9000111.2T61 I69 I105 F119 T120 I121 E122 L144T61-F86 HydrophobicContact CG2-CB 3.81Å; T61-F86 VanDerWaalsContact O-CA 3.32Å; T61-F86 WeakPolarHBondContact O-CA 3.46Å; I69-F86 HydrophobicContact CD1-CB 4.01Å; I69-F86 HydrophobicContact CD1-CD1 3.86Å; I69-F86 HydrophobicContact CD1-CD2 4.42Å; I69-F86 HydrophobicContact CD1-CE1 4.43Å; I69-F86 HydrophobicContact CD1-CG 3.85Å; F86-I105 HydrophobicContact CZ-CG1 4.35Å; F86-F119 HydrophobicContact CE1-CB 4.38Å; F86-F119 HydrophobicContact CE1-CD1 4.47Å; F86-T120 PolarHBondContact N-O 3.03Å; F86-I121 HydrophobicContact CE1-CG1 4.33Å; F86-I121 HydrophobicContact CE2-CG1 3.74Å; F86-I121 HydrophobicContact CZ-CD1 4.39Å; F86-I121 HydrophobicContact CZ-CG1 3.59Å; F86-I121 WeakPolarHBondContact O-CA 2.93Å; F86-E122 PolarHBondContact O-N 3.19Å; F86-L144 HydrophobicContact CE1-CD1 4.28Å; F86-L144 HydrophobicContact CZ-CD1 4.29Å
87Y94.7Very high97.5Very high5 Ų540.2 Ų40.22%0.0221%0.205CC..  trans-136.5137.3164.367.7-88.3000110.6S62 A63 R85 R89 H124S62-Y87 CarbonylContact C-O 3.55Å; S62-Y87 VanDerWaalsContact CA-CE1 3.4Å; S62-Y87 VanDerWaalsContact CB-CE1 3.46Å; S62-Y87 VanDerWaalsContact CB-CZ 3.46Å; S62-Y87 VanDerWaalsContact CB-OH 3.31Å; S62-Y87 WeakPolarHBondContact CB-OH 3.48Å; S62-Y87 VanDerWaalsContact OG-CE1 3.24Å; S62-Y87 WeakPolarHBondContact OG-CE1 3.35Å; S62-Y87 PolarHBondContact OG-OH 3.44Å; A63-Y87 WeakPolarHBondContact CA-O 3.35Å; A63-Y87 PolarHBondContact N-O 2.97Å; R85-Y87 VanDerWaalsContact NH1-CD1 3.29Å; Y87-R89 HydrophobicContact CD2-CG 3.8Å; Y87-R89 HydrophobicContact CE2-CG 3.51Å; Y87-H124 HydrophobicContact CD2-CB 3.77Å; Y87-H124 AromaticContact CD2-CE1 3.87Å; Y87-H124 AromaticContact CD2-CG 3.48Å; Y87-H124 VanDerWaalsContact CD2-CG 3.48Å; Y87-H124 AromaticContact CD2-ND1 3.35Å; Y87-H124 WeakPolarHBondContact CD2-ND1 3.32Å; Y87-H124 HydrophobicContact CE2-CB 4.45Å; Y87-H124 AromaticContact CE2-CD2 3.97Å; Y87-H124 AromaticContact CE2-CE1 3.24Å; Y87-H124 WeakPolarHBondContact CE2-CE1 3.43Å; Y87-H124 AromaticContact CE2-CG 3.67Å; Y87-H124 AromaticContact CE2-ND1 3.21Å; Y87-H124 WeakPolarHBondContact CE2-ND1 3.16Å; Y87-H124 AromaticContact CE2-NE2 3.73Å; Y87-H124 HydrophobicContact CG-CB 3.89Å; Y87-H124 AromaticContact CG-CG 3.85Å; Y87-H124 AromaticContact CZ-CE1 3.64Å; Y87-H124 AromaticContact CZ-ND1 3.99Å; Y87-H124 AromaticContact CZ-NE2 3.7Å
88P93.5Very high97.4Very high4 Ų437.6 Ų37.63%0.02619%0.191CC..  trans-73.2152.1179.330.4-34.3000111.4S64 Y90 I101 L127S64-P88 WeakPolarHBondContact OG-CB 3.29Å; P88-Y90 HydrophobicContact CB-CD2 4.02Å; P88-Y90 HydrophobicContact CB-CE2 3.95Å; P88-I101 HydrophobicContact CB-CD1 3.67Å; P88-I101 HydrophobicContact CB-CG1 3.5Å; P88-I101 VanDerWaalsContact CB-CG1 3.5Å; P88-I101 HydrophobicContact CB-CG2 4.36Å; P88-I101 HydrophobicContact CG-CD1 3.48Å; P88-I101 VanDerWaalsContact CG-CD1 3.48Å; P88-I101 HydrophobicContact CG-CG1 3.79Å; P88-I101 HydrophobicContact CG-CG2 4.15Å; P88-L127 HydrophobicContact CG-CD1 4.24Å
89R93.2Very high97.4Very high49 Ų4936.2 Ų36.219%0.18519%0.194CC..  trans-141.282.8174-70.2-169.7-69133.9-1.3109.8S62 Y87 Y248 R249S62-R89 VanDerWaalsContact O-CZ 3.31Å; S62-R89 PolarHBondContact O-NE 3.35Å; S62-R89 PolarHBondContact O-NH2 3.21Å; Y87-R89 HydrophobicContact CD2-CG 3.8Å; Y87-R89 HydrophobicContact CE2-CG 3.51Å; R89-Y248 PolarHBondContact NH1-OH 2.78Å; R89-R249 WeakPolarHBondContact CD-O 3.23Å; R89-R249 PolarHBondContact NH1-O 2.96Å
90Y95.6Very high97.4Very high48 Ų4839.3 Ų39.319%0.18821%0.209CC..  trans-119.7142.7178.9-60.9-65.7000110.9S64 D65 P88 I100 I101 D104S64-Y90 VanDerWaalsContact OG-CE2 3.28Å; S64-Y90 WeakPolarHBondContact OG-CE2 3.2Å; S64-Y90 PolarHBondContact OG-OH 2.91Å; D65-Y90 PolarHBondContact N-OH 3Å; P88-Y90 HydrophobicContact CB-CD2 4.02Å; P88-Y90 HydrophobicContact CB-CE2 3.95Å; Y90-I100 HydrophobicContact CD1-CG2 4.03Å; Y90-I100 HydrophobicContact CD2-CB 4.28Å; Y90-I100 HydrophobicContact CD2-CG2 3.69Å; Y90-I100 HydrophobicContact CE1-CG2 3.87Å; Y90-I100 HydrophobicContact CE2-CB 4.49Å; Y90-I100 HydrophobicContact CE2-CG2 3.51Å; Y90-I100 HydrophobicContact CG-CG2 3.95Å; Y90-I101 HydrophobicContact CD2-CG1 3.84Å; Y90-I101 HydrophobicContact CE2-CG1 4.1Å; Y90-D104 VanDerWaalsContact CE2-OD2 3.24Å; Y90-D104 WeakPolarHBondContact CE2-OD2 3.5Å; Y90-D104 PolarHBondContact OH-OD2 3.5Å
91E96.2Very high97.3Very high107 Ų10736.9 Ų36.950%0.518%0.184SC..  trans-99.1140.5172.4179.2175.3-112.200109.9W245 I246 Y248E91-W245 HydrophobicContact CG-CH2 4.3Å; E91-W245 HydrophobicContact CG-CZ2 3.41Å; E91-W245 VanDerWaalsContact CG-CZ2 3.41Å; E91-I246 WeakPolarHBondContact CA-O 3.46Å; E91-I246 WeakPolarHBondContact CG-O 3.48Å; E91-Y248 PolarHBondContact OE1-N 2.81Å
92G97.6Very high97.3Very high8 Ų838.1 Ų38.18%0.08220%0.195CC..EExtended strand (participates in β ladder)trans152.3-173.6175.900000111.8I246G92-I246 PolarHBondContact N-O 2.97Å; G92-I246 PolarHBondContact O-N 3.21Å
93N98.2Very high97.3Very high58 Ų5841.7 Ų41.731%0.3121%0.21SC..EExtended strand (participates in β ladder)trans-67144.7168.7-57.7-72.4000109.6R95 D96 V97 N243 P244N93-R95 PolarHBondContact O-N 2.92Å; N93-R95 VanDerWaalsContact O-N 3.1Å; N93-D96 PolarHBondContact ND2-OD2 3.41Å; N93-D96 WeakPolarHBondContact O-CA 3Å; N93-D96 WeakPolarHBondContact O-CB 3.47Å; N93-D96 PolarHBondContact O-N 2.86Å; N93-V97 PolarHBondContact O-N 3.29Å; N93-N243 WeakPolarHBondContact CB-ND2 3.31Å; N93-P244 CarbonylContact C-O 3.6Å; N93-P244 WeakPolarHBondContact CA-O 3.43Å
94L97.8Very high97.3Very high9 Ų942.4 Ų42.45%0.04721%0.214CC..Hα-helixtrans-47-45.1-177175.965.2000113.2D96 V97 L98 L127 E131 N243 P244 I246L94-D96 VanDerWaalsContact C-N 3.32Å; L94-D96 PolarHBondContact O-N 2.94Å; L94-V97 PolarHBondContact O-N 2.84Å; L94-L98 HydrophobicContact CD1-CD1 3.89Å; L94-L98 HydrophobicContact CD1-CD2 4.34Å; L94-L98 HydrophobicContact CD1-CG 3.88Å; L94-L98 HydrophobicContact CD2-CD1 4.5Å; L94-L98 HydrophobicContact CG-CD1 3.88Å; L94-L98 HydrophobicContact CG-CG 4.24Å; L94-L98 WeakPolarHBondContact O-CB 3.48Å; L94-L98 VanDerWaalsContact O-CG 3.28Å; L94-L98 WeakPolarHBondContact O-CG 3.22Å; L94-L98 PolarHBondContact O-N 2.91Å; L94-L127 HydrophobicContact CD1-CD2 3.84Å; L94-E131 WeakPolarHBondContact CD2-OE1 3.44Å; L94-N243 PolarHBondContact N-OD1 2.81Å; L94-P244 HydrophobicContact CB-CG 4.22Å; L94-P244 HydrophobicContact CD2-CG 4.31Å; L94-P244 PolarHBondContact N-O 3Å; L94-I246 HydrophobicContact CB-CD1 4.44Å; L94-I246 HydrophobicContact CB-CG1 4.24Å; L94-I246 HydrophobicContact CD1-CD1 4.16Å; L94-I246 HydrophobicContact CD1-CG1 4.21Å
95R98Very high97.3Very high165 Ų16542.6 Ų42.662%0.62322%0.215SC*.Hα-helixtrans-61.3-38.8178.5-75.5174.9165.9177.9-2.5113.5N93 S99 N243N93-R95 PolarHBondContact O-N 2.92Å; N93-R95 VanDerWaalsContact O-N 3.1Å; R95-S99 WeakPolarHBondContact O-CB 3.43Å; R95-S99 PolarHBondContact O-N 3.42Å; R95-S99 PolarHBondContact O-OG 3Å; R95-N243 VanDerWaalsContact CB-OD1 3.26Å; R95-N243 WeakPolarHBondContact CB-OD1 3.34Å; R95-N243 HydrophobicContact CG-CB 4.5Å; R95-N243 WeakPolarHBondContact CG-OD1 3.43Å; R95-N243 PolarHBondContact N-OD1 2.89Å
96D98.2Very high97.3Very high88 Ų8843.8 Ų43.847%0.47123%0.228SC..Hα-helixtrans-70.8-43.2178-60-41.6000109.7N93 L94 S99 I100N93-D96 PolarHBondContact ND2-OD2 3.41Å; N93-D96 WeakPolarHBondContact O-CA 3Å; N93-D96 WeakPolarHBondContact O-CB 3.47Å; N93-D96 PolarHBondContact O-N 2.86Å; L94-D96 VanDerWaalsContact C-N 3.32Å; L94-D96 PolarHBondContact O-N 2.94Å; D96-S99 WeakPolarHBondContact O-CB 3.4Å; D96-S99 PolarHBondContact O-N 2.92Å; D96-I100 WeakPolarHBondContact O-CG1 3.44Å; D96-I100 PolarHBondContact O-N 3.1Å
97V97.5Very high97.3Very high1 Ų145.7 Ų45.71%0.00624%0.235CC..Hα-helixtrans-58.9-51.9175.4169.10000111.2N93 L94 S99 I100 I101 L127 I246N93-V97 PolarHBondContact O-N 3.29Å; L94-V97 PolarHBondContact O-N 2.84Å; V97-S99 VanDerWaalsContact C-N 3.27Å; V97-S99 PolarHBondContact O-N 3.27Å; V97-I100 PolarHBondContact O-N 2.84Å; V97-I100 VanDerWaalsContact O-N 3.14Å; V97-I101 HydrophobicContact CG1-CD1 3.66Å; V97-I101 HydrophobicContact CG1-CG1 4.49Å; V97-I101 WeakPolarHBondContact O-CD1 3.49Å; V97-I101 VanDerWaalsContact O-CG1 3.24Å; V97-I101 WeakPolarHBondContact O-CG1 3.47Å; V97-I101 PolarHBondContact O-N 2.89Å; V97-L127 HydrophobicContact CG1-CD2 4.41Å; V97-I246 HydrophobicContact CG2-CB 4.13Å; V97-I246 HydrophobicContact CG2-CG1 4.34Å
98L97.9Very high97.5Very high39 Ų3945.5 Ų45.520%0.20423%0.234CC..Hα-helixtrans-60.3-37.3177.3-67.7175.6000112L94 I101 A102 L127 E131 L135L94-L98 HydrophobicContact CD1-CD1 3.89Å; L94-L98 HydrophobicContact CD1-CD2 4.34Å; L94-L98 HydrophobicContact CD1-CG 3.88Å; L94-L98 HydrophobicContact CD2-CD1 4.5Å; L94-L98 HydrophobicContact CG-CD1 3.88Å; L94-L98 HydrophobicContact CG-CG 4.24Å; L94-L98 WeakPolarHBondContact O-CB 3.48Å; L94-L98 VanDerWaalsContact O-CG 3.28Å; L94-L98 WeakPolarHBondContact O-CG 3.22Å; L94-L98 PolarHBondContact O-N 2.91Å; L98-I101 PolarHBondContact O-N 3Å; L98-A102 WeakPolarHBondContact O-CB 3.46Å; L98-A102 PolarHBondContact O-N 3.22Å; L98-L127 HydrophobicContact CD2-CD1 4.32Å; L98-L127 HydrophobicContact CD2-CD2 4.14Å; L98-E131 HydrophobicContact CD1-CB 4.47Å; L98-E131 HydrophobicContact CD2-CB 4.14Å; L98-L135 HydrophobicContact CD2-CD1 3.81Å; L98-L135 HydrophobicContact CD2-CD2 4.36Å; L98-L135 HydrophobicContact CD2-CG 4.15Å
99S98.2Very high97.7Very high65 Ų6548.9 Ų48.946%0.45525%0.247SC..Hα-helixtrans-65.9-39176.2-61.40000112.3R95 D96 V97 N103R95-S99 WeakPolarHBondContact O-CB 3.43Å; R95-S99 PolarHBondContact O-N 3.42Å; R95-S99 PolarHBondContact O-OG 3Å; D96-S99 WeakPolarHBondContact O-CB 3.4Å; D96-S99 PolarHBondContact O-N 2.92Å; V97-S99 VanDerWaalsContact C-N 3.27Å; V97-S99 PolarHBondContact O-N 3.27Å; S99-N103 PolarHBondContact O-N 3.34Å; S99-N103 PolarHBondContact O-ND2 3.4Å
100I98.1Very high97.9Very high67 Ų6753.9 Ų53.934%0.34427%0.272SS..Hα-helixtrans-63.9-48.5174.8-66.9164.4000109.7Y90 D96 V97 A102 N103 D104Y90-I100 HydrophobicContact CD1-CG2 4.03Å; Y90-I100 HydrophobicContact CD2-CB 4.28Å; Y90-I100 HydrophobicContact CD2-CG2 3.69Å; Y90-I100 HydrophobicContact CE1-CG2 3.87Å; Y90-I100 HydrophobicContact CE2-CB 4.49Å; Y90-I100 HydrophobicContact CE2-CG2 3.51Å; Y90-I100 HydrophobicContact CG-CG2 3.95Å; D96-I100 WeakPolarHBondContact O-CG1 3.44Å; D96-I100 PolarHBondContact O-N 3.1Å; V97-I100 PolarHBondContact O-N 2.84Å; V97-I100 VanDerWaalsContact O-N 3.14Å; I100-A102 VanDerWaalsContact C-N 3.32Å; I100-A102 PolarHBondContact O-N 2.86Å; I100-N103 WeakPolarHBondContact O-CA 3.25Å; I100-N103 WeakPolarHBondContact O-CB 3.31Å; I100-N103 PolarHBondContact O-N 3.41Å; I100-D104 PolarHBondContact O-N 3.15Å
101I97.7Very high98.1Very high1 Ų154.6 Ų54.61%0.00528%0.281CS..Hα-helixtrans-62.1-41-179-60.8163.7000111.3P88 Y90 V97 L98 N103 D104 I105 L127 L135P88-I101 HydrophobicContact CB-CD1 3.67Å; P88-I101 HydrophobicContact CB-CG1 3.5Å; P88-I101 VanDerWaalsContact CB-CG1 3.5Å; P88-I101 HydrophobicContact CB-CG2 4.36Å; P88-I101 HydrophobicContact CG-CD1 3.48Å; P88-I101 VanDerWaalsContact CG-CD1 3.48Å; P88-I101 HydrophobicContact CG-CG1 3.79Å; P88-I101 HydrophobicContact CG-CG2 4.15Å; Y90-I101 HydrophobicContact CD2-CG1 3.84Å; Y90-I101 HydrophobicContact CE2-CG1 4.1Å; V97-I101 HydrophobicContact CG1-CD1 3.66Å; V97-I101 HydrophobicContact CG1-CG1 4.49Å; V97-I101 WeakPolarHBondContact O-CD1 3.49Å; V97-I101 VanDerWaalsContact O-CG1 3.24Å; V97-I101 WeakPolarHBondContact O-CG1 3.47Å; V97-I101 PolarHBondContact O-N 2.89Å; L98-I101 PolarHBondContact O-N 3Å; I101-N103 VanDerWaalsContact C-N 3.26Å; I101-N103 PolarHBondContact O-N 3.45Å; I101-D104 WeakPolarHBondContact O-CB 3.34Å; I101-D104 PolarHBondContact O-N 3.1Å; I101-I105 HydrophobicContact CG2-CD1 3.85Å; I101-I105 HydrophobicContact CG2-CG1 4.37Å; I101-I105 VanDerWaalsContact O-CG1 3.31Å; I101-I105 WeakPolarHBondContact O-CG1 3.37Å; I101-I105 PolarHBondContact O-N 2.98Å; I101-L127 HydrophobicContact CD1-CD1 3.63Å; I101-L135 HydrophobicContact CB-CD1 4.33Å; I101-L135 HydrophobicContact CB-CD2 4.28Å; I101-L135 HydrophobicContact CG2-CD1 3.72Å; I101-L135 HydrophobicContact CG2-CD2 4.11Å
102A98.3Very high98.2Very high37 Ų3751.4 Ų51.431%0.30627%0.265SS..Hα-helixtrans-60-37.2174.900000112.1L98 I100 A106 L135L98-A102 WeakPolarHBondContact O-CB 3.46Å; L98-A102 PolarHBondContact O-N 3.22Å; I100-A102 VanDerWaalsContact C-N 3.32Å; I100-A102 PolarHBondContact O-N 2.86Å; A102-A106 WeakPolarHBondContact O-CB 3.48Å; A102-A106 PolarHBondContact O-N 3.16Å; A102-L135 HydrophobicContact CB-CD2 4.14Å
103N98.4Very high98.2Very high113 Ų11354.9 Ų54.960%0.60428%0.279SS*.Hα-helixtrans-70.1-36.8175.1-71-51.7000112.6S99 I100 I101 A106 Y107S99-N103 PolarHBondContact O-N 3.34Å; S99-N103 PolarHBondContact O-ND2 3.4Å; I100-N103 WeakPolarHBondContact O-CA 3.25Å; I100-N103 WeakPolarHBondContact O-CB 3.31Å; I100-N103 PolarHBondContact O-N 3.41Å; I101-N103 VanDerWaalsContact C-N 3.26Å; I101-N103 PolarHBondContact O-N 3.45Å; N103-A106 PolarHBondContact O-N 3.19Å; N103-Y107 PolarHBondContact O-N 2.9Å
104D98.4Very high98.1Very high16 Ų1659.4 Ų59.49%0.08630%0.303CS..Hα-helixtrans-63.6-45.5173.5-66.1-22.9000111S64 Y90 I100 I101 A106 Y107 V108S64-D104 WeakPolarHBondContact CB-OD2 3.3Å; S64-D104 WeakPolarHBondContact O-CB 3.41Å; S64-D104 VanDerWaalsContact O-CG 3.28Å; S64-D104 PolarHBondContact OG-OD2 3.47Å; Y90-D104 VanDerWaalsContact CE2-OD2 3.24Å; Y90-D104 WeakPolarHBondContact CE2-OD2 3.5Å; Y90-D104 PolarHBondContact OH-OD2 3.5Å; I100-D104 PolarHBondContact O-N 3.15Å; I101-D104 WeakPolarHBondContact O-CB 3.34Å; I101-D104 PolarHBondContact O-N 3.1Å; D104-A106 VanDerWaalsContact C-N 3.35Å; D104-A106 PolarHBondContact O-N 3.34Å; D104-Y107 WeakPolarHBondContact O-CB 3.39Å; D104-Y107 PolarHBondContact O-N 3.41Å; D104-Y107 VanDerWaalsContact O-N 3.15Å; D104-V108 WeakPolarHBondContact O-CG2 3.37Å; D104-V108 PolarHBondContact O-N 3.12Å
105I98.5Very high98.1Very high3 Ų360.8 Ų60.82%0.01531%0.314CS..Hα-helixtrans-61.7-43.6175.8-67.9163.2000111F86 I101 Y107 V108 R109 I121 L135 L144F86-I105 HydrophobicContact CZ-CG1 4.35Å; I101-I105 HydrophobicContact CG2-CD1 3.85Å; I101-I105 HydrophobicContact CG2-CG1 4.37Å; I101-I105 VanDerWaalsContact O-CG1 3.31Å; I101-I105 WeakPolarHBondContact O-CG1 3.37Å; I101-I105 PolarHBondContact O-N 2.98Å; I105-Y107 PolarHBondContact O-N 2.79Å; I105-V108 PolarHBondContact O-N 3.15Å; I105-R109 PolarHBondContact O-N 3.36Å; I105-I121 HydrophobicContact CD1-CD1 3.48Å; I105-I121 VanDerWaalsContact CD1-CD1 3.48Å; I105-I121 HydrophobicContact CG1-CD1 4.05Å; I105-L135 HydrophobicContact CD1-CB 3.98Å; I105-L135 HydrophobicContact CD1-CD2 4.24Å; I105-L144 HydrophobicContact CD1-CD2 4.39Å; I105-L144 HydrophobicContact CG1-CD2 4.31Å; I105-L144 HydrophobicContact CG2-CD2 3.47Å; I105-L144 VanDerWaalsContact CG2-CD2 3.47Å
106A98.5Very high98.1Very high36 Ų3656.4 Ų56.430%0.29832%0.32SS..Hα-helixtrans-58.5-40.7175.500000111.1A102 N103 D104 R109 E110A102-A106 WeakPolarHBondContact O-CB 3.48Å; A102-A106 PolarHBondContact O-N 3.16Å; N103-A106 PolarHBondContact O-N 3.19Å; D104-A106 VanDerWaalsContact C-N 3.35Å; D104-A106 PolarHBondContact O-N 3.34Å; A106-R109 PolarHBondContact O-N 2.84Å; A106-E110 WeakPolarHBondContact O-CB 3.2Å; A106-E110 VanDerWaalsContact O-CG 3.29Å; A106-E110 WeakPolarHBondContact O-CG 3.45Å; A106-E110 PolarHBondContact O-N 3.47Å
107Y98.6Very high98.1Very high41 Ų4152.5 Ų52.516%0.16130%0.299CS..Hα-helixtrans-63.8-44.9174.6176-105.1000113K66 D70 N103 D104 I105 R109 E110 T111K66-Y107 HydrophobicContact CB-CD1 4.07Å; K66-Y107 HydrophobicContact CB-CE1 3.63Å; K66-Y107 HydrophobicContact CD-CD1 4.1Å; K66-Y107 HydrophobicContact CD-CD2 3.87Å; K66-Y107 HydrophobicContact CD-CE1 4.05Å; K66-Y107 HydrophobicContact CD-CE2 3.84Å; K66-Y107 HydrophobicContact CD-CG 3.98Å; K66-Y107 HydrophobicContact CG-CD1 3.6Å; K66-Y107 HydrophobicContact CG-CD2 4.3Å; K66-Y107 HydrophobicContact CG-CE1 3.65Å; K66-Y107 HydrophobicContact CG-CE2 4.36Å; K66-Y107 HydrophobicContact CG-CG 3.92Å; D70-Y107 WeakPolarHBondContact OD1-CE1 3.29Å; D70-Y107 PolarHBondContact OD1-OH 3.28Å; D70-Y107 PolarHBondContact OD2-OH 3.01Å; N103-Y107 PolarHBondContact O-N 2.9Å; D104-Y107 WeakPolarHBondContact O-CB 3.39Å; D104-Y107 PolarHBondContact O-N 3.41Å; D104-Y107 VanDerWaalsContact O-N 3.15Å; I105-Y107 PolarHBondContact O-N 2.79Å; Y107-R109 VanDerWaalsContact C-N 3.31Å; Y107-R109 PolarHBondContact O-N 2.85Å; Y107-E110 PolarHBondContact O-N 3.01Å; Y107-T111 VanDerWaalsContact CE2-OG1 3.27Å; Y107-T111 WeakPolarHBondContact CE2-OG1 3.48Å; Y107-T111 VanDerWaalsContact O-CB 3.29Å; Y107-T111 WeakPolarHBondContact O-CB 3.37Å; Y107-T111 PolarHBondContact O-N 2.84Å; Y107-T111 PolarHBondContact O-OG1 2.91Å
108V98.5Very high98.2Very high1 Ų155.2 Ų55.21%0.00632%0.316CS..Hα-helixtrans-57.6-46.11751760000110.1I69 D104 I105 T111 Y112 F119 M141I69-V108 HydrophobicContact CD1-CG2 4.21Å; I69-V108 HydrophobicContact CG1-CG2 4.12Å; I69-V108 HydrophobicContact CG2-CG2 3.83Å; D104-V108 WeakPolarHBondContact O-CG2 3.37Å; D104-V108 PolarHBondContact O-N 3.12Å; I105-V108 PolarHBondContact O-N 3.15Å; V108-T111 PolarHBondContact O-N 3.35Å; V108-Y112 WeakPolarHBondContact O-CA 3.29Å; V108-Y112 WeakPolarHBondContact O-CB 3.32Å; V108-Y112 PolarHBondContact O-N 3.39Å; V108-F119 HydrophobicContact CG1-CD1 3.66Å; V108-F119 HydrophobicContact CG1-CD2 4.15Å; V108-F119 HydrophobicContact CG1-CE1 3.72Å; V108-F119 HydrophobicContact CG1-CE2 4.2Å; V108-F119 HydrophobicContact CG1-CG 3.89Å; V108-F119 HydrophobicContact CG1-CZ 4Å; V108-M141 HydrophobicContact CG1-CE 3.91Å; V108-M141 HydrophobicContact CG1-SD 4.08Å
109R98.3Very high98.2Very high75 Ų7553.4 Ų53.428%0.28331%0.306SS..Hα-helixtrans-59.7-54.9176.6179.8-176.2175.6-171.60.1111.4I105 A106 Y107 T111 Q113 S139 E140 M141I105-R109 PolarHBondContact O-N 3.36Å; A106-R109 PolarHBondContact O-N 2.84Å; Y107-R109 VanDerWaalsContact C-N 3.31Å; Y107-R109 PolarHBondContact O-N 2.85Å; R109-T111 PolarHBondContact O-N 2.97Å; R109-Q113 HydrophobicContact CG-CB 4.43Å; R109-Q113 WeakPolarHBondContact O-CB 3.44Å; R109-Q113 VanDerWaalsContact O-CD 3.3Å; R109-Q113 WeakPolarHBondContact O-CG 3.33Å; R109-Q113 PolarHBondContact O-N 3.07Å; R109-Q113 PolarHBondContact O-NE2 3.26Å; R109-S139 VanDerWaalsContact CD-O 3.28Å; R109-S139 WeakPolarHBondContact CD-O 3.25Å; R109-S139 PolarHBondContact NH1-O 2.78Å; R109-E140 IonicContact CZ-OE2 3.79Å; R109-E140 IonicContact NH1-OE2 3.25Å; R109-E140 PolarHBondContact NH1-OE2 2.68Å; R109-E140 IonicContact NH2-OE2 3.37Å; R109-E140 PolarHBondContact NH2-OE2 2.69Å; R109-M141 HydrophobicContact CB-CB 4.23Å; R109-M141 HydrophobicContact CB-CG 4.21Å; R109-M141 HydrophobicContact CB-SD 3.76Å; R109-M141 HydrophobicContact CG-CB 4.13Å; R109-M141 HydrophobicContact CG-CG 4.24Å; R109-M141 HydrophobicContact CG-SD 4.42Å
110E98.3Very high98.2Very high153 Ų15350.3 Ų50.372%0.71528%0.284SS*.Hα-helixtrans-59.1-34.4-177.1-75.3176-178.400112.7A106 Y107A106-E110 WeakPolarHBondContact O-CB 3.2Å; A106-E110 VanDerWaalsContact O-CG 3.29Å; A106-E110 WeakPolarHBondContact O-CG 3.45Å; A106-E110 PolarHBondContact O-N 3.47Å; Y107-E110 PolarHBondContact O-N 3.01Å
111T98.4Very high98.3Very high63 Ų6347.1 Ų47.139%0.38727%0.268SS..Hα-helixtrans-96-35.5-171.9-47.80000112.8Y107 V108 R109Y107-T111 VanDerWaalsContact CE2-OG1 3.27Å; Y107-T111 WeakPolarHBondContact CE2-OG1 3.48Å; Y107-T111 VanDerWaalsContact O-CB 3.29Å; Y107-T111 WeakPolarHBondContact O-CB 3.37Å; Y107-T111 PolarHBondContact O-N 2.84Å; Y107-T111 PolarHBondContact O-OG1 2.91Å; V108-T111 PolarHBondContact O-N 3.35Å; R109-T111 PolarHBondContact O-N 2.97Å
112Y98.4Very high98.2Very high41 Ų4147.2 Ų47.216%0.16127%0.269CS..Hα-helixtrans-132.43.2-163.5-59.9-60.5000115.9I69 D70 V73 V108 D114 S115 F119I69-Y112 HydrophobicContact CG2-CD2 4.14Å; I69-Y112 HydrophobicContact CG2-CE2 3.96Å; D70-Y112 WeakPolarHBondContact OD1-CE2 3.34Å; D70-Y112 PolarHBondContact OD1-OH 3.2Å; V73-Y112 HydrophobicContact CB-CD1 4.48Å; V73-Y112 HydrophobicContact CB-CE1 4.2Å; V73-Y112 HydrophobicContact CB-CE2 4.31Å; V73-Y112 HydrophobicContact CG1-CD1 3.62Å; V73-Y112 HydrophobicContact CG1-CE1 3.49Å; V73-Y112 VanDerWaalsContact CG1-CE1 3.49Å; V73-Y112 HydrophobicContact CG1-CE2 4.41Å; V73-Y112 HydrophobicContact CG1-CG 4.12Å; V73-Y112 HydrophobicContact CG2-CD1 4.5Å; V73-Y112 HydrophobicContact CG2-CD2 3.99Å; V73-Y112 HydrophobicContact CG2-CE2 4.09Å; V73-Y112 HydrophobicContact CG2-CG 4.19Å; V108-Y112 WeakPolarHBondContact O-CA 3.29Å; V108-Y112 WeakPolarHBondContact O-CB 3.32Å; V108-Y112 PolarHBondContact O-N 3.39Å; Y112-D114 PolarHBondContact O-N 3.45Å; Y112-D114 VanDerWaalsContact O-N 3.14Å; Y112-S115 WeakPolarHBondContact O-CB 3.3Å; Y112-S115 PolarHBondContact O-N 2.76Å; Y112-S115 PolarHBondContact O-OG 3.18Å; Y112-F119 HydrophobicContact CG-CZ 4.44Å
113Q97.1Very high97.5Very high81 Ų8145.5 Ų45.538%0.37925%0.254SS..THydrogen-bonded Turntrans-55.8-33.6178.869.9-168.2-54.300113.5R109 M141R109-Q113 HydrophobicContact CG-CB 4.43Å; R109-Q113 WeakPolarHBondContact O-CB 3.44Å; R109-Q113 VanDerWaalsContact O-CD 3.3Å; R109-Q113 WeakPolarHBondContact O-CG 3.33Å; R109-Q113 PolarHBondContact O-N 3.07Å; R109-Q113 PolarHBondContact O-NE2 3.26Å; Q113-M141 HydrophobicContact CB-CE 4.36Å
114D97.3Very high96.9Very high152 Ų15240.6 Ų40.681%0.81323%0.228SC*.THydrogen-bonded Turntrans-959.3-179.5-60.8-46.9000113.5Y112 G116Y112-D114 PolarHBondContact O-N 3.45Å; Y112-D114 VanDerWaalsContact O-N 3.14Å; D114-G116 PolarHBondContact O-N 3.35Å
115S98Very high96.5Very high39 Ų3939.9 Ų39.927%0.27322%0.224SC..SBendtrans-69.9-15.7-177.5640000113.9Y112 L117Y112-S115 WeakPolarHBondContact O-CB 3.3Å; Y112-S115 PolarHBondContact O-N 2.76Å; Y112-S115 PolarHBondContact O-OG 3.18Å; S115-L117 VanDerWaalsContact C-N 3.25Å; S115-L117 WeakPolarHBondContact OG-CB 3.09Å; S115-L117 PolarHBondContact OG-N 2.76Å
116G97.9Very high96.3Very high72 Ų7240 Ų4074%0.74222%0.224SC*.SBendtrans82-2-169.800000114.1D114D114-G116 PolarHBondContact O-N 3.35Å
117L98.6Very high96.1Very high6 Ų638.4 Ų38.43%0.03121%0.211CC..  trans-83.4148.7172.3-63169000111V73 A76 L77 A81 V84 S115 F119V73-L117 HydrophobicContact CB-CD1 4.44Å; V73-L117 HydrophobicContact CG1-CD1 3.83Å; V73-L117 HydrophobicContact CG2-CD1 4.33Å; A76-L117 HydrophobicContact CB-CD1 3.94Å; A76-L117 HydrophobicContact CB-CD2 3.93Å; L77-L117 HydrophobicContact CD2-CD1 4.04Å; L77-L117 HydrophobicContact CD2-CG 4.22Å; L77-L117 HydrophobicContact CG-CD1 4.21Å; A81-L117 VanDerWaalsContact O-CD2 3.23Å; A81-L117 WeakPolarHBondContact O-CD2 3.23Å; V84-L117 HydrophobicContact CG2-CD1 4.18Å; S115-L117 VanDerWaalsContact C-N 3.25Å; S115-L117 WeakPolarHBondContact OG-CB 3.09Å; S115-L117 PolarHBondContact OG-N 2.76Å; L117-F119 HydrophobicContact CB-CE2 3.91Å; L117-F119 HydrophobicContact CB-CZ 4.09Å; L117-F119 HydrophobicContact CD1-CZ 4.34Å
118T98.6Very high96.1Very high59 Ų5938 Ų3836%0.36221%0.21SC..EExtended strand (participates in β ladder)trans-95.8150.3162.4550000110.5S82 S83 V84S82-T118 PolarHBondContact O-N 2.79Å; S82-T118 PolarHBondContact O-OG1 3.46Å; S83-T118 CarbonylContact C-O 3.51Å; S83-T118 WeakPolarHBondContact CA-O 3.27Å; S83-T118 WeakPolarHBondContact CB-O 3.44Å; S83-T118 WeakPolarHBondContact CB-OG1 3.38Å; V84-T118 PolarHBondContact N-O 3.08Å
119F98.7Very high96Very high0 Ų038.1 Ų38.10%021%0.21CC..EExtended strand (participates in β ladder)trans-122.2138.1-178.7-66.1-92.6000110V73 V84 F86 V108 Y112 L117 M141 S143 L144 S145V73-F119 HydrophobicContact CG2-CE1 3.74Å; V73-F119 HydrophobicContact CG2-CZ 3.94Å; V84-F119 HydrophobicContact CB-CD1 3.91Å; V84-F119 HydrophobicContact CB-CE1 3.91Å; V84-F119 HydrophobicContact CG1-CD1 4.4Å; V84-F119 HydrophobicContact CG1-CE1 4.41Å; V84-F119 HydrophobicContact CG2-CE1 4.32Å; V84-F119 WeakPolarHBondContact O-CA 3.3Å; F86-F119 HydrophobicContact CE1-CB 4.38Å; F86-F119 HydrophobicContact CE1-CD1 4.47Å; V108-F119 HydrophobicContact CG1-CD1 3.66Å; V108-F119 HydrophobicContact CG1-CD2 4.15Å; V108-F119 HydrophobicContact CG1-CE1 3.72Å; V108-F119 HydrophobicContact CG1-CE2 4.2Å; V108-F119 HydrophobicContact CG1-CG 3.89Å; V108-F119 HydrophobicContact CG1-CZ 4Å; Y112-F119 HydrophobicContact CG-CZ 4.44Å; L117-F119 HydrophobicContact CB-CE2 3.91Å; L117-F119 HydrophobicContact CB-CZ 4.09Å; L117-F119 HydrophobicContact CD1-CZ 4.34Å; F119-M141 HydrophobicContact CB-CE 4.43Å; F119-M141 HydrophobicContact CD2-CE 3.35Å; F119-M141 HydrophobicContact CE2-CE 3.82Å; F119-M141 HydrophobicContact CG-CE 4.07Å; F119-S143 PolarHBondContact N-O 3.28Å; F119-L144 HydrophobicContact CB-CD1 3.74Å; F119-L144 WeakPolarHBondContact O-CA 3.44Å; F119-S145 PolarHBondContact O-N 2.89Å; F119-S145 PolarHBondContact O-OG 3.49Å
120T98.6Very high96Very high0 Ų039.1 Ų39.10%022%0.218CC..EExtended strand (participates in β ladder)trans-128.7129.9173.855.40000111.4V84 R85 F86 S145 Q173V84-T120 PolarHBondContact O-N 2.93Å; V84-T120 VanDerWaalsContact O-N 3.09Å; R85-T120 WeakPolarHBondContact CA-O 3.23Å; R85-T120 WeakPolarHBondContact CA-OG1 3.22Å; R85-T120 WeakPolarHBondContact CB-OG1 2.95Å; R85-T120 WeakPolarHBondContact CG-OG1 3.49Å; F86-T120 PolarHBondContact N-O 3.03Å; T120-S145 VanDerWaalsContact CA-O 3.3Å; T120-S145 WeakPolarHBondContact CA-O 3.46Å; T120-Q173 HydrophobicContact CG2-CB 4.16Å; T120-Q173 HydrophobicContact CG2-CG 3.81Å
121I98.2Very high96Very high0 Ų032.3 Ų32.30%019%0.186CC..EExtended strand (participates in β ladder)trans-83.7121163.6-54.2168.1000107F86 I105 L132 V136 L144 S145 L146 L147F86-I121 HydrophobicContact CE1-CG1 4.33Å; F86-I121 HydrophobicContact CE2-CG1 3.74Å; F86-I121 HydrophobicContact CZ-CD1 4.39Å; F86-I121 HydrophobicContact CZ-CG1 3.59Å; F86-I121 WeakPolarHBondContact O-CA 2.93Å; I105-I121 HydrophobicContact CD1-CD1 3.48Å; I105-I121 VanDerWaalsContact CD1-CD1 3.48Å; I105-I121 HydrophobicContact CG1-CD1 4.05Å; I121-L132 HydrophobicContact CG2-CD2 3.72Å; I121-V136 HydrophobicContact CD1-CG2 4.13Å; I121-L144 HydrophobicContact CD1-CD1 4.37Å; I121-L144 HydrophobicContact CD1-CD2 4.2Å; I121-L144 HydrophobicContact CG1-CD1 4.05Å; I121-S145 PolarHBondContact N-O 3.47Å; I121-L146 HydrophobicContact CB-CD2 4.23Å; I121-L146 WeakPolarHBondContact O-CA 3.36Å; I121-L147 PolarHBondContact O-N 3.22Å
122E96.4Very high96Very high4 Ų429.3 Ų29.32%0.01917%0.168CC..EExtended strand (participates in β ladder)trans-78.2134169.7169.8174.8-138.400111.2R85 F86 H124 L147 H175R85-E122 WeakPolarHBondContact CD-OE2 3.4Å; R85-E122 HydrophobicContact CG-CB 4.14Å; R85-E122 IonicContact CZ-OE2 3.3Å; R85-E122 IonicContact NE-OE2 2.8Å; R85-E122 PolarHBondContact NE-OE2 2.82Å; R85-E122 IonicContact NH1-OE2 3.78Å; R85-E122 PolarHBondContact NH1-OE2 3.48Å; R85-E122 IonicContact NH2-OE2 2.93Å; F86-E122 PolarHBondContact O-N 3.19Å; E122-H124 HydrophobicContact CG-CB 4.36Å; E122-H124 PolarHBondContact O-N 2.98Å; E122-H124 VanDerWaalsContact O-N 3.12Å; E122-L147 HydrophobicContact CB-CB 4.14Å; E122-L147 HydrophobicContact CB-CD2 4.16Å; E122-L147 HydrophobicContact CG-CD2 3.85Å; E122-H175 IonicContact OE1-CE1 3.58Å; E122-H175 IonicContact OE1-CG 3.01Å; E122-H175 IonicContact OE1-ND1 2.79Å; E122-H175 PolarHBondContact OE1-ND1 2.91Å
123Q84.5Confident96Very high0 Ų027.9 Ų27.90%016%0.163CC..  trans-67.7103167.7-175.2-84.4-50.900108.8L132 L147 N152 M153 M167Q123-L132 HydrophobicContact CB-CD1 3.51Å; Q123-L132 HydrophobicContact CG-CD1 3.36Å; Q123-L147 PolarHBondContact N-O 2.94Å; Q123-N152 VanDerWaalsContact NE2-C 3.27Å; Q123-N152 PolarHBondContact NE2-O 3.31Å; Q123-N152 WeakPolarHBondContact O-CB 3.45Å; Q123-N152 PolarHBondContact O-ND2 3.31Å; Q123-M153 VanDerWaalsContact NE2-N 3.16Å; Q123-M167 HydrophobicContact CB-CE 3.63Å; Q123-M167 HydrophobicContact CB-SD 4.35Å; Q123-M167 HydrophobicContact CG-CE 4.02Å; Q123-M167 HydrophobicContact CG-SD 4.06Å
124H86.1Confident96Very high11 Ų1126.4 Ų26.45%0.05116%0.162CC..  trans-122.770.8-170.8-166-96.6000113.3Y87 E122 D126 R249 S252Y87-H124 HydrophobicContact CD2-CB 3.77Å; Y87-H124 AromaticContact CD2-CE1 3.87Å; Y87-H124 AromaticContact CD2-CG 3.48Å; Y87-H124 VanDerWaalsContact CD2-CG 3.48Å; Y87-H124 AromaticContact CD2-ND1 3.35Å; Y87-H124 WeakPolarHBondContact CD2-ND1 3.32Å; Y87-H124 HydrophobicContact CE2-CB 4.45Å; Y87-H124 AromaticContact CE2-CD2 3.97Å; Y87-H124 AromaticContact CE2-CE1 3.24Å; Y87-H124 WeakPolarHBondContact CE2-CE1 3.43Å; Y87-H124 AromaticContact CE2-CG 3.67Å; Y87-H124 AromaticContact CE2-ND1 3.21Å; Y87-H124 WeakPolarHBondContact CE2-ND1 3.16Å; Y87-H124 AromaticContact CE2-NE2 3.73Å; Y87-H124 HydrophobicContact CG-CB 3.89Å; Y87-H124 AromaticContact CG-CG 3.85Å; Y87-H124 AromaticContact CZ-CE1 3.64Å; Y87-H124 AromaticContact CZ-ND1 3.99Å; Y87-H124 AromaticContact CZ-NE2 3.7Å; E122-H124 HydrophobicContact CG-CB 4.36Å; E122-H124 PolarHBondContact O-N 2.98Å; E122-H124 VanDerWaalsContact O-N 3.12Å; H124-D126 PolarHBondContact O-N 2.76Å; H124-R249 PolarHBondContact CE1-NH1 3.04Å; H124-R249 PolarHBondContact ND1-NH1 3.37Å; H124-S252 PolarHBondContact CE1-OG 3.07Å; H124-S252 PolarHBondContact NE2-OG 3.46Å
125E89.8Confident96.1Very high0 Ų019.6 Ų19.60%013%0.126CC..SBendtrans70.1-36.6162.3-59.3173.5-12900118.8N152 N155 A156 Y230 A232 F235 R249E125-N152 VanDerWaalsContact CA-O 3.28Å; E125-N152 WeakPolarHBondContact CA-O 3.32Å; E125-N152 HydrophobicContact CG-CB 3.89Å; E125-N155 HydrophobicContact CB-CB 3.6Å; E125-N155 HydrophobicContact CG-CB 3.84Å; E125-N155 CarbonylContact O-C 3.58Å; E125-A156 WeakPolarHBondContact O-CA 3.48Å; E125-A156 WeakPolarHBondContact O-CB 3.36Å; E125-A156 PolarHBondContact O-N 2.8Å; E125-Y230 PolarHBondContact OE1-OH 3Å; E125-A232 VanDerWaalsContact OE2-CB 3.23Å; E125-A232 WeakPolarHBondContact OE2-CB 3.44Å; E125-F235 HydrophobicContact CB-CD2 3.89Å; E125-F235 HydrophobicContact CB-CE2 4.38Å; E125-F235 WeakPolarHBondContact OE2-CE2 3.21Å; E125-R249 IonicContact OE1-CZ 3.08Å; E125-R249 VanDerWaalsContact OE1-CZ 3.3Å; E125-R249 IonicContact OE1-NH1 2.76Å; E125-R249 PolarHBondContact OE1-NH1 3.07Å; E125-R249 IonicContact OE1-NH2 3.37Å; E125-R249 PolarHBondContact OE1-NH2 3.03Å; E125-R249 IonicContact OE2-CZ 2.96Å; E125-R249 IonicContact OE2-NE 2.72Å; E125-R249 IonicContact OE2-NH1 3.57Å; E125-R249 PolarHBondContact OE2-NH1 3.4Å; E125-R249 IonicContact OE2-NH2 2.68Å; E125-R249 PolarHBondContact OE2-NH2 2.92Å
126D92.8Very high96.1Very high6 Ų618.2 Ų18.23%0.03212%0.116CC..SBendtrans-97.6-27-173.956.12.1000113.6H124 F235 R236 I246H124-D126 PolarHBondContact O-N 2.76Å; D126-F235 HydrophobicContact CB-CB 4.36Å; D126-R236 WeakPolarHBondContact O-CD 3.47Å; D126-R236 VanDerWaalsContact O-CG 3.32Å; D126-R236 WeakPolarHBondContact O-CG 3.5Å; D126-R236 PolarHBondContact O-NH1 2.94Å; D126-I246 HydrophobicContact CB-CG2 3.95Å
127L95.9Very high96.1Very high3 Ų320.8 Ų20.82%0.01611%0.106CC..SBendtrans-99.3134.9174.5-57.6-177.1000111.9P88 L94 V97 L98 I101 E131 L132 L135P88-L127 HydrophobicContact CG-CD1 4.24Å; L94-L127 HydrophobicContact CD1-CD2 3.84Å; V97-L127 HydrophobicContact CG1-CD2 4.41Å; L98-L127 HydrophobicContact CD2-CD1 4.32Å; L98-L127 HydrophobicContact CD2-CD2 4.14Å; I101-L127 HydrophobicContact CD1-CD1 3.63Å; L127-E131 WeakPolarHBondContact CA-OE2 3.17Å; L127-L132 HydrophobicContact CB-CD1 4.3Å; L127-L132 HydrophobicContact CB-CD2 4.22Å; L127-L132 HydrophobicContact CB-CG 4Å; L127-L132 HydrophobicContact CD1-CD2 4Å; L127-L135 HydrophobicContact CD1-CD1 4.31Å
128K96.9Very high96Very high33 Ų3327.4 Ų27.414%0.14314%0.137CC..  trans-77.7154.9175.8-71.5-179.4170.6168.10111.2H130 E131 L132 A156 E158 E240K128-H130 VanDerWaalsContact C-N 3.3Å; K128-H130 PolarHBondContact O-N 2.69Å; K128-E131 HydrophobicContact CB-CG 4.24Å; K128-E131 PolarHBondContact N-OE2 2.9Å; K128-E131 WeakPolarHBondContact O-CB 3.34Å; K128-E131 PolarHBondContact O-N 3.02Å; K128-L132 PolarHBondContact O-N 3.37Å; K128-A156 WeakPolarHBondContact CE-O 3.47Å; K128-A156 HydrophobicContact CG-CB 4.16Å; K128-E158 HydrophobicContact CG-CG 4.2Å; K128-E240 WeakPolarHBondContact CE-OE1 3.29Å; K128-E240 IonicContact NZ-OE1 3.26Å; K128-E240 PolarHBondContact NZ-OE1 3.43Å
129S98.1Very high96Very high2 Ų225.1 Ų25.11%0.01412%0.124CC..Hα-helixtrans-48.9-45.5-178.362.60000113.8E131 L132 V133 E158 T166S129-E131 PolarHBondContact O-N 3.26Å; S129-L132 PolarHBondContact O-N 2.81Å; S129-V133 VanDerWaalsContact O-CG2 3.25Å; S129-V133 WeakPolarHBondContact O-CG2 3.3Å; S129-V133 PolarHBondContact O-N 3.25Å; S129-E158 WeakPolarHBondContact CB-OE1 3.13Å; S129-E158 WeakPolarHBondContact CB-OE2 3.45Å; S129-E158 VanDerWaalsContact N-CD 3.33Å; S129-E158 PolarHBondContact N-OE1 3.43Å; S129-E158 VanDerWaalsContact N-OE1 3.14Å; S129-E158 PolarHBondContact N-OE2 3.19Å; S129-E158 PolarHBondContact OG-OE1 3.31Å; S129-E158 PolarHBondContact OG-OE2 3.41Å; S129-T166 WeakPolarHBondContact OG-CB 3.31Å; S129-T166 WeakPolarHBondContact OG-CG2 3.28Å
130H97.5Very high95.8Very high96 Ų9631.9 Ų31.944%0.44416%0.155SC..Hα-helixtrans-71.9-27.8-178.870.2-82000113.5K128 S134 T166K128-H130 VanDerWaalsContact C-N 3.3Å; K128-H130 PolarHBondContact O-N 2.69Å; H130-S134 WeakPolarHBondContact O-CB 3.02Å; H130-S134 PolarHBondContact O-N 2.78Å; H130-S134 PolarHBondContact O-OG 2.85Å; H130-T166 HydrophobicContact CB-CG2 4.03Å
131E97.7Very high95.8Very high10 Ų1032.3 Ų32.35%0.04716%0.157CC..Hα-helixtrans-70.3-45.3176.9-61.4164.1175.400109.4L94 L98 L127 K128 S129 S134 L135 R236L94-E131 WeakPolarHBondContact CD2-OE1 3.44Å; L98-E131 HydrophobicContact CD1-CB 4.47Å; L98-E131 HydrophobicContact CD2-CB 4.14Å; L127-E131 WeakPolarHBondContact CA-OE2 3.17Å; K128-E131 HydrophobicContact CB-CG 4.24Å; K128-E131 PolarHBondContact N-OE2 2.9Å; K128-E131 WeakPolarHBondContact O-CB 3.34Å; K128-E131 PolarHBondContact O-N 3.02Å; S129-E131 PolarHBondContact O-N 3.26Å; E131-S134 WeakPolarHBondContact O-CB 3.26Å; E131-S134 PolarHBondContact O-N 3.13Å; E131-L135 PolarHBondContact O-N 3.16Å; E131-R236 IonicContact OE1-CZ 2.96Å; E131-R236 IonicContact OE1-NH1 3.96Å; E131-R236 PolarHBondContact OE1-NH1 2.95Å; E131-R236 VanDerWaalsContact OE1-NH1 3.08Å; E131-R236 IonicContact OE1-NH2 3.26Å; E131-R236 PolarHBondContact OE1-NH2 2.82Å; E131-R236 IonicContact OE2-CZ 3.93Å; E131-R236 IonicContact OE2-NH1 3.84Å; E131-R236 PolarHBondContact OE2-NH1 2.86Å; E131-R236 IonicContact OE2-NH2 3.8Å
132L98.1Very high95.7Very high1 Ų142 Ų421%0.00520%0.203CC..Hα-helixtrans-63.9-41.9174.9-70.8163.7000112.9I121 Q123 L127 K128 S129 S134 L135 V136 L146I121-L132 HydrophobicContact CG2-CD2 3.72Å; Q123-L132 HydrophobicContact CB-CD1 3.51Å; Q123-L132 HydrophobicContact CG-CD1 3.36Å; L127-L132 HydrophobicContact CB-CD1 4.3Å; L127-L132 HydrophobicContact CB-CD2 4.22Å; L127-L132 HydrophobicContact CB-CG 4Å; L127-L132 HydrophobicContact CD1-CD2 4Å; K128-L132 PolarHBondContact O-N 3.37Å; S129-L132 PolarHBondContact O-N 2.81Å; L132-S134 VanDerWaalsContact C-N 3.26Å; L132-S134 PolarHBondContact O-N 3.41Å; L132-L135 HydrophobicContact CD2-CD1 4.46Å; L132-L135 PolarHBondContact O-N 3.08Å; L132-V136 PolarHBondContact O-N 2.77Å; L132-L146 HydrophobicContact CB-CD1 4.44Å; L132-L146 HydrophobicContact CB-CD2 3.97Å
133V98.4Very high95.8Very high10 Ų1043 Ų436%0.06121%0.21CC..Hα-helixtrans-61.5-38.2174.7167.20000111.2S129 K137 L146 T166 M167S129-V133 VanDerWaalsContact O-CG2 3.25Å; S129-V133 WeakPolarHBondContact O-CG2 3.3Å; S129-V133 PolarHBondContact O-N 3.25Å; V133-K137 HydrophobicContact CG1-CD 3.93Å; V133-K137 HydrophobicContact CG1-CG 4.44Å; V133-K137 WeakPolarHBondContact O-CB 3.14Å; V133-K137 VanDerWaalsContact O-CG 3.3Å; V133-K137 WeakPolarHBondContact O-CG 3.35Å; V133-K137 PolarHBondContact O-N 3.3Å; V133-L146 HydrophobicContact CG2-CD1 3.93Å; V133-T166 HydrophobicContact CG2-CG2 4.37Å; V133-T166 WeakPolarHBondContact CG2-O 3.49Å; V133-M167 HydrophobicContact CG2-CB 4.39Å; V133-M167 HydrophobicContact CG2-CG 4.08Å
134S98.1Very high96.4Very high51 Ų5143.5 Ų43.536%0.35721%0.213SC..Hα-helixtrans-64.6-46.6176.6-560000110.9H130 E131 L132 V136 K137 E138H130-S134 WeakPolarHBondContact O-CB 3.02Å; H130-S134 PolarHBondContact O-N 2.78Å; H130-S134 PolarHBondContact O-OG 2.85Å; E131-S134 WeakPolarHBondContact O-CB 3.26Å; E131-S134 PolarHBondContact O-N 3.13Å; L132-S134 VanDerWaalsContact C-N 3.26Å; L132-S134 PolarHBondContact O-N 3.41Å; S134-V136 PolarHBondContact O-N 3.26Å; S134-K137 PolarHBondContact O-N 2.98Å; S134-E138 WeakPolarHBondContact O-CB 3.43Å; S134-E138 VanDerWaalsContact O-CG 3.29Å; S134-E138 WeakPolarHBondContact O-CG 3.45Å; S134-E138 PolarHBondContact O-N 2.88Å
135L98.2Very high97Very high9 Ų943.6 Ų43.65%0.04721%0.214CC..Hα-helixtrans-55.8-46.7176.1-72.5168.9000112.7L98 I101 A102 I105 L127 E131 L132 S139L98-L135 HydrophobicContact CD2-CD1 3.81Å; L98-L135 HydrophobicContact CD2-CD2 4.36Å; L98-L135 HydrophobicContact CD2-CG 4.15Å; I101-L135 HydrophobicContact CB-CD1 4.33Å; I101-L135 HydrophobicContact CB-CD2 4.28Å; I101-L135 HydrophobicContact CG2-CD1 3.72Å; I101-L135 HydrophobicContact CG2-CD2 4.11Å; A102-L135 HydrophobicContact CB-CD2 4.14Å; I105-L135 HydrophobicContact CD1-CB 3.98Å; I105-L135 HydrophobicContact CD1-CD2 4.24Å; L127-L135 HydrophobicContact CD1-CD1 4.31Å; E131-L135 PolarHBondContact O-N 3.16Å; L132-L135 HydrophobicContact CD2-CD1 4.46Å; L132-L135 PolarHBondContact O-N 3.08Å; L135-S139 WeakPolarHBondContact O-CB 3.33Å; L135-S139 PolarHBondContact O-N 2.87Å; L135-S139 VanDerWaalsContact O-N 3.09Å
136V98.3Very high97.4Very high9 Ų943.6 Ų43.66%0.05521%0.214CC..Hα-helixtrans-65.9-44.8179171.90000111.4I121 L132 S134 E138 S139 L144 L146 H170I121-V136 HydrophobicContact CD1-CG2 4.13Å; L132-V136 PolarHBondContact O-N 2.77Å; S134-V136 PolarHBondContact O-N 3.26Å; V136-E138 PolarHBondContact O-N 2.72Å; V136-S139 WeakPolarHBondContact O-CB 3.16Å; V136-S139 PolarHBondContact O-N 3Å; V136-S139 PolarHBondContact O-OG 2.87Å; V136-L144 HydrophobicContact CG2-CD2 4.37Å; V136-L144 HydrophobicContact CG2-CG 4.4Å; V136-L146 HydrophobicContact CG2-CD2 3.47Å; V136-L146 VanDerWaalsContact CG2-CD2 3.47Å; V136-L146 HydrophobicContact CG2-CG 3.86Å; V136-H170 HydrophobicContact CG1-CB 4.26Å
137K98Very high97.7Very high126 Ų12643.3 Ų43.355%0.54821%0.213SC..Hα-helixtrans-62.7-44179.1-75.5177.2179.11750112.5V133 S134 S139 H170V133-K137 HydrophobicContact CG1-CD 3.93Å; V133-K137 HydrophobicContact CG1-CG 4.44Å; V133-K137 WeakPolarHBondContact O-CB 3.14Å; V133-K137 VanDerWaalsContact O-CG 3.3Å; V133-K137 WeakPolarHBondContact O-CG 3.35Å; V133-K137 PolarHBondContact O-N 3.3Å; S134-K137 PolarHBondContact O-N 2.98Å; K137-S139 VanDerWaalsContact C-N 3.29Å; K137-S139 PolarHBondContact O-N 2.89Å; K137-H170 WeakPolarHBondContact CE-NE2 3.25Å
138E98Very high97.8Very high145 Ų14543.1 Ų43.168%0.67821%0.212SC*.Hα-helixtrans-72.9-22.1-177.7-70.1174.8-170.900112.9S134 V136 E140S134-E138 WeakPolarHBondContact O-CB 3.43Å; S134-E138 VanDerWaalsContact O-CG 3.29Å; S134-E138 WeakPolarHBondContact O-CG 3.45Å; S134-E138 PolarHBondContact O-N 2.88Å; V136-E138 PolarHBondContact O-N 2.72Å; E138-E140 PolarHBondContact O-N 2.74Å
139S97.8Very high97.9Very high12 Ų1241.6 Ų41.68%0.08421%0.205CC..Hα-helixtrans-61.6-31.1176.476.70000113.6R109 L135 V136 K137 M141 L144R109-S139 VanDerWaalsContact CD-O 3.28Å; R109-S139 WeakPolarHBondContact CD-O 3.25Å; R109-S139 PolarHBondContact NH1-O 2.78Å; L135-S139 WeakPolarHBondContact O-CB 3.33Å; L135-S139 PolarHBondContact O-N 2.87Å; L135-S139 VanDerWaalsContact O-N 3.09Å; V136-S139 WeakPolarHBondContact O-CB 3.16Å; V136-S139 PolarHBondContact O-N 3Å; V136-S139 PolarHBondContact O-OG 2.87Å; K137-S139 VanDerWaalsContact C-N 3.29Å; K137-S139 PolarHBondContact O-N 2.89Å; S139-M141 PolarHBondContact O-N 2.84Å; S139-M141 VanDerWaalsContact O-N 3.09Å; S139-M141 PolarHBondContact OG-N 2.98Å; S139-M141 VanDerWaalsContact OG-N 3.08Å; S139-L144 WeakPolarHBondContact OG-CD2 3.37Å
140E95.2Very high97.9Very high142 Ų14241.5 Ų41.566%0.66421%0.205SC*.THydrogen-bonded Turntrans47.328.3-166.5-46.8173.3146.300113.4R109 E138R109-E140 IonicContact CZ-OE2 3.79Å; R109-E140 IonicContact NH1-OE2 3.25Å; R109-E140 PolarHBondContact NH1-OE2 2.68Å; R109-E140 IonicContact NH2-OE2 3.37Å; R109-E140 PolarHBondContact NH2-OE2 2.69Å; E138-E140 PolarHBondContact O-N 2.74Å
141M97.6Very high97.9Very high8 Ų836.9 Ų36.94%0.03918%0.184CC..  trans-96.5109.4178.6-178.6174.6173.200109.4V108 R109 Q113 F119 S139 S143 L144V108-M141 HydrophobicContact CG1-CE 3.91Å; V108-M141 HydrophobicContact CG1-SD 4.08Å; R109-M141 HydrophobicContact CB-CB 4.23Å; R109-M141 HydrophobicContact CB-CG 4.21Å; R109-M141 HydrophobicContact CB-SD 3.76Å; R109-M141 HydrophobicContact CG-CB 4.13Å; R109-M141 HydrophobicContact CG-CG 4.24Å; R109-M141 HydrophobicContact CG-SD 4.42Å; Q113-M141 HydrophobicContact CB-CE 4.36Å; F119-M141 HydrophobicContact CB-CE 4.43Å; F119-M141 HydrophobicContact CD2-CE 3.35Å; F119-M141 HydrophobicContact CE2-CE 3.82Å; F119-M141 HydrophobicContact CG-CE 4.07Å; S139-M141 PolarHBondContact O-N 2.84Å; S139-M141 VanDerWaalsContact O-N 3.09Å; S139-M141 PolarHBondContact OG-N 2.98Å; S139-M141 VanDerWaalsContact OG-N 3.08Å; M141-S143 VanDerWaalsContact C-N 3.27Å; M141-S143 WeakPolarHBondContact CE-OG 3.43Å; M141-S143 PolarHBondContact O-N 3.44Å; M141-L144 HydrophobicContact CB-CB 3.8Å; M141-L144 HydrophobicContact CG-CB 3.8Å; M141-L144 WeakPolarHBondContact O-CB 3.38Å; M141-L144 PolarHBondContact O-N 3.26Å; M141-L144 HydrophobicContact SD-CB 3.96Å
142E96.2Very high97.8Very high204 Ų20436.5 Ų36.595%0.95318%0.182SC*.THydrogen-bonded Turntrans-61-34.6-175.9-174.6176.1-179.500113.1L144E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.47Å
143S97.7Very high97.8Very high26 Ų2636.5 Ų36.518%0.18218%0.182CC..THydrogen-bonded Turntrans-832.517851.80000114.1F119 M141F119-S143 PolarHBondContact N-O 3.28Å; M141-S143 VanDerWaalsContact C-N 3.27Å; M141-S143 WeakPolarHBondContact CE-OG 3.43Å; M141-S143 PolarHBondContact O-N 3.44Å
144L98.6Very high97.7Very high10 Ų1036 Ų365%0.05218%0.179CC..EExtended strand (participates in β ladder)trans-99.1133176.4-173.869.9000111.6F86 I105 F119 I121 V136 S139 M141 E142F86-L144 HydrophobicContact CE1-CD1 4.28Å; F86-L144 HydrophobicContact CZ-CD1 4.29Å; I105-L144 HydrophobicContact CD1-CD2 4.39Å; I105-L144 HydrophobicContact CG1-CD2 4.31Å; I105-L144 HydrophobicContact CG2-CD2 3.47Å; I105-L144 VanDerWaalsContact CG2-CD2 3.47Å; F119-L144 HydrophobicContact CB-CD1 3.74Å; F119-L144 WeakPolarHBondContact O-CA 3.44Å; I121-L144 HydrophobicContact CD1-CD1 4.37Å; I121-L144 HydrophobicContact CD1-CD2 4.2Å; I121-L144 HydrophobicContact CG1-CD1 4.05Å; V136-L144 HydrophobicContact CG2-CD2 4.37Å; V136-L144 HydrophobicContact CG2-CG 4.4Å; S139-L144 WeakPolarHBondContact OG-CD2 3.37Å; M141-L144 HydrophobicContact CB-CB 3.8Å; M141-L144 HydrophobicContact CG-CB 3.8Å; M141-L144 WeakPolarHBondContact O-CB 3.38Å; M141-L144 PolarHBondContact O-N 3.26Å; M141-L144 HydrophobicContact SD-CB 3.96Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.47Å
145S98.5Very high97.7Very high12 Ų1233.6 Ų33.68%0.08416%0.162CC..EExtended strand (participates in β ladder)trans-148.3-173.1179.5500000111.3F119 T120 I121 H170 T172F119-S145 PolarHBondContact O-N 2.89Å; F119-S145 PolarHBondContact O-OG 3.49Å; T120-S145 VanDerWaalsContact CA-O 3.3Å; T120-S145 WeakPolarHBondContact CA-O 3.46Å; I121-S145 PolarHBondContact N-O 3.47Å; S145-H170 WeakPolarHBondContact CB-O 3.18Å; S145-T172 VanDerWaalsContact CB-CG2 3.47Å; S145-T172 WeakPolarHBondContact CB-OG1 3.06Å; S145-T172 WeakPolarHBondContact OG-CG2 3.41Å; S145-T172 PolarHBondContact OG-OG1 2.93Å
146L98.7Very high97.6Very high0 Ų033.1 Ų33.10%016%0.159CC..EExtended strand (participates in β ladder)trans-105.3140179.4-62.8176.6000111.1I121 L132 V133 V136 M167 H170 I171 T172 Q173I121-L146 HydrophobicContact CB-CD2 4.23Å; I121-L146 WeakPolarHBondContact O-CA 3.36Å; L132-L146 HydrophobicContact CB-CD1 4.44Å; L132-L146 HydrophobicContact CB-CD2 3.97Å; V133-L146 HydrophobicContact CG2-CD1 3.93Å; V136-L146 HydrophobicContact CG2-CD2 3.47Å; V136-L146 VanDerWaalsContact CG2-CD2 3.47Å; V136-L146 HydrophobicContact CG2-CG 3.86Å; L146-M167 HydrophobicContact CB-CE 4.01Å; L146-M167 HydrophobicContact CD1-CB 3.97Å; L146-M167 HydrophobicContact CD1-CE 3.75Å; L146-M167 HydrophobicContact CD1-CG 3.9Å; L146-M167 HydrophobicContact CG-CE 4.34Å; L146-H170 HydrophobicContact CD1-CB 3.9Å; L146-H170 HydrophobicContact CG-CB 4Å; L146-H170 PolarHBondContact N-O 2.85Å; L146-I171 WeakPolarHBondContact O-CA 3.15Å; L146-T172 PolarHBondContact O-N 3.41Å; L146-T172 VanDerWaalsContact O-N 3.07Å; L146-Q173 PolarHBondContact O-N 2.93Å
147L98.5Very high97.6Very high0 Ų034.2 Ų34.20%017%0.165CC..EExtended strand (participates in β ladder)trans-93.8126.2158-176.8161.3000108.9K24 R85 I121 E122 Q123 D149 Q173 H175K24-L147 VanDerWaalsContact NZ-CD1 3.27Å; R85-L147 HydrophobicContact CG-CD1 3.77Å; I121-L147 PolarHBondContact O-N 3.22Å; E122-L147 HydrophobicContact CB-CB 4.14Å; E122-L147 HydrophobicContact CB-CD2 4.16Å; E122-L147 HydrophobicContact CG-CD2 3.85Å; Q123-L147 PolarHBondContact N-O 2.94Å; L147-D149 HydrophobicContact CD2-CB 4.44Å; L147-Q173 CarbonylContact C-O 3.59Å; L147-Q173 VanDerWaalsContact CA-O 3.27Å; L147-Q173 WeakPolarHBondContact CA-O 3.29Å; L147-Q173 HydrophobicContact CB-CB 4.19Å; L147-Q173 HydrophobicContact CD1-CB 4.15Å; L147-Q173 HydrophobicContact CG-CB 4.05Å; L147-H175 WeakPolarHBondContact CD1-NE2 3.47Å; L147-H175 HydrophobicContact CD2-CB 4Å
148F98.5Very high97.6Very high0 Ų029.5 Ų29.50%015%0.145CC..EExtended strand (participates in β ladder)trans-98.6111.9177-177.9-91.9000110.9F150 M153 A163 L164 M167 I171 Q173 V174 H175 L205 L209F148-F150 HydrophobicContact CD1-CD1 4.19Å; F148-F150 HydrophobicContact CD1-CE1 4.45Å; F148-F150 HydrophobicContact CE1-CD1 4.04Å; F148-F150 HydrophobicContact CE1-CE1 4.4Å; F148-M153 HydrophobicContact CE1-CE 3.86Å; F148-M153 HydrophobicContact CE2-CE 3.63Å; F148-M153 HydrophobicContact CZ-CE 3.17Å; F148-A163 HydrophobicContact CE2-CB 4.4Å; F148-L164 HydrophobicContact CE1-CB 4.47Å; F148-L164 HydrophobicContact CE1-CD1 4.35Å; F148-L164 HydrophobicContact CE2-CB 3.77Å; F148-L164 HydrophobicContact CE2-CG 4.41Å; F148-L164 HydrophobicContact CZ-CB 3.68Å; F148-L164 HydrophobicContact CZ-CD1 4.33Å; F148-L164 HydrophobicContact CZ-CG 4.24Å; F148-M167 HydrophobicContact CD2-CE 4.04Å; F148-M167 HydrophobicContact CD2-SD 3.87Å; F148-M167 HydrophobicContact CE2-SD 4.29Å; F148-I171 HydrophobicContact CB-CD1 3.79Å; F148-I171 HydrophobicContact CB-CG1 4.05Å; F148-I171 HydrophobicContact CB-CG2 3.76Å; F148-I171 HydrophobicContact CD2-CD1 3.87Å; F148-I171 HydrophobicContact CG-CD1 3.93Å; F148-Q173 PolarHBondContact N-O 2.91Å; F148-V174 CarbonylContact O-C 3.51Å; F148-V174 VanDerWaalsContact O-CA 3.23Å; F148-V174 WeakPolarHBondContact O-CA 3.29Å; F148-V174 WeakPolarHBondContact O-CG1 3.39Å; F148-H175 PolarHBondContact O-N 3.2Å; F148-L205 HydrophobicContact CE1-CD2 3.95Å; F148-L205 HydrophobicContact CZ-CD2 3.95Å; F148-L209 HydrophobicContact CD1-CD1 4.17Å; F148-L209 HydrophobicContact CD1-CD2 4.29Å; F148-L209 HydrophobicContact CE1-CD1 4.5Å
149D97.9Very high97.5Very high0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-88.8140.3171.6-176.5-62.5000110L147 A151 N152 M153 H175 K177L147-D149 HydrophobicContact CD2-CB 4.44Å; D149-A151 VanDerWaalsContact C-N 3.33Å; D149-A151 PolarHBondContact O-N 2.71Å; D149-A151 PolarHBondContact OD1-N 3.41Å; D149-N152 HydrophobicContact CB-CB 3.94Å; D149-N152 VanDerWaalsContact CB-ND2 3.32Å; D149-N152 WeakPolarHBondContact CB-ND2 3.49Å; D149-N152 PolarHBondContact OD1-N 2.76Å; D149-N152 VanDerWaalsContact OD1-N 3.08Å; D149-N152 PolarHBondContact OD2-ND2 2.8Å; D149-M153 WeakPolarHBondContact O-CE 3.45Å; D149-H175 HydrophobicContact CB-CB 4.24Å; D149-K177 WeakPolarHBondContact OD1-CD 3.28Å; D149-K177 IonicContact OD1-NZ 3.12Å; D149-K177 WeakPolarHBondContact OD2-CE 3.5Å; D149-K177 IonicContact OD2-NZ 2.65Å; D149-K177 PolarHBondContact OD2-NZ 2.94Å
150F97.9Very high97.5Very high0 Ų028.1 Ų28.10%014%0.137CC..SBendtrans-66.4-27.5-176.9-88.832.8000115F148 M153 V174 H175 I176 K177 F202 L205 L206 L209F148-F150 HydrophobicContact CD1-CD1 4.19Å; F148-F150 HydrophobicContact CD1-CE1 4.45Å; F148-F150 HydrophobicContact CE1-CD1 4.04Å; F148-F150 HydrophobicContact CE1-CE1 4.4Å; F150-M153 VanDerWaalsContact O-CE 3.3Å; F150-M153 WeakPolarHBondContact O-CE 3.4Å; F150-V174 HydrophobicContact CD1-CG1 4.04Å; F150-V174 HydrophobicContact CE1-CG1 3.61Å; F150-H175 WeakPolarHBondContact CD1-O 3.47Å; F150-H175 PolarHBondContact N-O 3.12Å; F150-I176 HydrophobicContact CD2-CG2 4.25Å; F150-I176 HydrophobicContact CE1-CG1 4.16Å; F150-I176 HydrophobicContact CE2-CG2 4.05Å; F150-I176 HydrophobicContact CZ-CG1 4.15Å; F150-I176 HydrophobicContact CZ-CG2 4.4Å; F150-K177 HydrophobicContact CB-CG 4.19Å; F150-K177 WeakPolarHBondContact CB-O 3.4Å; F150-K177 WeakPolarHBondContact CD2-O 3.36Å; F150-F202 HydrophobicContact CD2-CD2 4.24Å; F150-F202 HydrophobicContact CD2-CE2 4.43Å; F150-F202 HydrophobicContact CE2-CD1 4.29Å; F150-F202 HydrophobicContact CE2-CD2 4.23Å; F150-F202 HydrophobicContact CE2-CE1 4.49Å; F150-F202 HydrophobicContact CE2-CE2 4.43Å; F150-F202 HydrophobicContact CE2-CG 4.17Å; F150-L205 HydrophobicContact CB-CD1 4.37Å; F150-L205 HydrophobicContact CD1-CD1 4.23Å; F150-L205 HydrophobicContact CD2-CB 4.42Å; F150-L205 HydrophobicContact CD2-CD1 3.69Å; F150-L205 HydrophobicContact CE1-CB 4Å; F150-L205 HydrophobicContact CE1-CD1 4.44Å; F150-L205 HydrophobicContact CE2-CB 3.81Å; F150-L205 HydrophobicContact CE2-CD1 3.94Å; F150-L205 HydrophobicContact CG-CD1 3.84Å; F150-L205 HydrophobicContact CZ-CB 3.56Å; F150-L205 HydrophobicContact CZ-CD1 4.29Å; F150-L206 HydrophobicContact CE2-CG 4.29Å; F150-L206 HydrophobicContact CZ-CD2 3.86Å; F150-L206 HydrophobicContact CZ-CG 3.88Å; F150-L209 HydrophobicContact CE1-CD1 3.48Å; F150-L209 VanDerWaalsContact CE1-CD1 3.48Å; F150-L209 HydrophobicContact CZ-CD1 4.02Å
151A97.2Very high97.7Very high0 Ų023 Ų230%011%0.114CC..SBendtrans-121.3-21.8-170.700000114.2D149 M153 I154 K177 A179 M200D149-A151 VanDerWaalsContact C-N 3.33Å; D149-A151 PolarHBondContact O-N 2.71Å; D149-A151 PolarHBondContact OD1-N 3.41Å; A151-M153 PolarHBondContact O-N 2.65Å; A151-M153 VanDerWaalsContact O-N 3.14Å; A151-I154 WeakPolarHBondContact O-CB 3.45Å; A151-I154 VanDerWaalsContact O-CG1 3.23Å; A151-I154 WeakPolarHBondContact O-CG1 3.29Å; A151-I154 PolarHBondContact O-N 3.02Å; A151-K177 HydrophobicContact CB-CD 3.83Å; A151-K177 HydrophobicContact CB-CG 3.85Å; A151-A179 HydrophobicContact CB-CB 3.82Å; A151-M200 HydrophobicContact CB-SD 4.21Å
152N96.8Very high97.7Very high2 Ų226.5 Ų26.51%0.01113%0.133CC..Hα-helixtrans-59.6-30.7-175.8-71.6-12.3000113Q123 E125 D149 I154 N155Q123-N152 VanDerWaalsContact NE2-C 3.27Å; Q123-N152 PolarHBondContact NE2-O 3.31Å; Q123-N152 WeakPolarHBondContact O-CB 3.45Å; Q123-N152 PolarHBondContact O-ND2 3.31Å; E125-N152 VanDerWaalsContact CA-O 3.28Å; E125-N152 WeakPolarHBondContact CA-O 3.32Å; E125-N152 HydrophobicContact CG-CB 3.89Å; D149-N152 HydrophobicContact CB-CB 3.94Å; D149-N152 VanDerWaalsContact CB-ND2 3.32Å; D149-N152 WeakPolarHBondContact CB-ND2 3.49Å; D149-N152 PolarHBondContact OD1-N 2.76Å; D149-N152 VanDerWaalsContact OD1-N 3.08Å; D149-N152 PolarHBondContact OD2-ND2 2.8Å; N152-I154 PolarHBondContact O-N 3.27Å; N152-N155 PolarHBondContact O-N 2.97Å
153M96.8Very high97.8Very high0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-65.2-21178.781.6-69.8-79.100113.4Q123 F148 D149 F150 A151 N155 A156 N157 E158 P160 A163Q123-M153 VanDerWaalsContact NE2-N 3.16Å; F148-M153 HydrophobicContact CE1-CE 3.86Å; F148-M153 HydrophobicContact CE2-CE 3.63Å; F148-M153 HydrophobicContact CZ-CE 3.17Å; D149-M153 WeakPolarHBondContact O-CE 3.45Å; F150-M153 VanDerWaalsContact O-CE 3.3Å; F150-M153 WeakPolarHBondContact O-CE 3.4Å; A151-M153 PolarHBondContact O-N 2.65Å; A151-M153 VanDerWaalsContact O-N 3.14Å; M153-N155 VanDerWaalsContact C-N 3.27Å; M153-N155 PolarHBondContact O-N 3.12Å; M153-A156 CarbonylContact O-C 3.56Å; M153-A156 PolarHBondContact O-N 2.64Å; M153-N157 PolarHBondContact O-N 3.13Å; M153-E158 HydrophobicContact CB-CB 4.17Å; M153-E158 HydrophobicContact CG-CB 4.37Å; M153-E158 PolarHBondContact O-N 3.34Å; M153-P160 HydrophobicContact CE-CB 3.89Å; M153-P160 HydrophobicContact CE-CG 4.49Å; M153-P160 HydrophobicContact CG-CB 4.45Å; M153-P160 HydrophobicContact CG-CG 4.39Å; M153-P160 HydrophobicContact SD-CB 3.82Å; M153-P160 HydrophobicContact SD-CG 3.76Å; M153-A163 HydrophobicContact CB-CB 3.81Å; M153-A163 HydrophobicContact CG-CB 3.81Å
154I98.1Very high97.8Very high0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-59.1-44.9176.6-59.8-57.1000109.6A151 N152 A156 N157 P160 I181 L188 G189 H190 M200A151-I154 WeakPolarHBondContact O-CB 3.45Å; A151-I154 VanDerWaalsContact O-CG1 3.23Å; A151-I154 WeakPolarHBondContact O-CG1 3.29Å; A151-I154 PolarHBondContact O-N 3.02Å; N152-I154 PolarHBondContact O-N 3.27Å; I154-A156 VanDerWaalsContact C-N 3.28Å; I154-A156 PolarHBondContact O-N 3.46Å; I154-N157 VanDerWaalsContact O-CA 3.29Å; I154-N157 WeakPolarHBondContact O-CA 3.17Å; I154-N157 PolarHBondContact O-N 2.79Å; I154-P160 HydrophobicContact CD1-CG 3.68Å; I154-I181 HydrophobicContact CD1-CD1 3.79Å; I154-I181 HydrophobicContact CD1-CG1 3.98Å; I154-I181 HydrophobicContact CG1-CG1 4.3Å; I154-I181 HydrophobicContact CG2-CG1 4.26Å; I154-I181 HydrophobicContact CG2-CG2 4.12Å; I154-L188 HydrophobicContact CG2-CB 3.61Å; I154-L188 HydrophobicContact CG2-CD1 4.48Å; I154-L188 WeakPolarHBondContact O-CB 3.28Å; I154-G189 VanDerWaalsContact CG2-O 3.3Å; I154-G189 WeakPolarHBondContact CG2-O 3.45Å; I154-H190 HydrophobicContact CB-CB 4.31Å; I154-H190 HydrophobicContact CG2-CB 4.12Å; I154-M200 HydrophobicContact CD1-CE 3.98Å; I154-M200 HydrophobicContact CD1-SD 4.49Å; I154-M200 HydrophobicContact CG1-CE 3.9Å; I154-M200 HydrophobicContact CG1-SD 4.31Å
155N97.3Very high97.8Very high0 Ų021.1 Ų21.10%010%0.103CC..Hα-helixtrans-71.3-25.4-179.5-51.581.2000113.5E125 N152 M153 N157 L188 H190 A232 P233 F235 R236E125-N155 HydrophobicContact CB-CB 3.6Å; E125-N155 HydrophobicContact CG-CB 3.84Å; E125-N155 CarbonylContact O-C 3.58Å; N152-N155 PolarHBondContact O-N 2.97Å; M153-N155 VanDerWaalsContact C-N 3.27Å; M153-N155 PolarHBondContact O-N 3.12Å; N155-N157 PolarHBondContact O-N 2.66Å; N155-L188 VanDerWaalsContact CA-O 3.3Å; N155-L188 WeakPolarHBondContact CA-O 3.08Å; N155-H190 PolarHBondContact OD1-CE1 3.45Å; N155-H190 PolarHBondContact OD1-ND1 2.87Å; N155-A232 WeakPolarHBondContact ND2-CB 3.4Å; N155-A232 PolarHBondContact ND2-O 3.28Å; N155-P233 PolarHBondContact ND2-O 3.48Å; N155-F235 HydrophobicContact CB-CD2 3.93Å; N155-F235 PolarHBondContact O-N 3.08Å; N155-R236 PolarHBondContact O-N 3.46Å; N155-R236 VanDerWaalsContact O-N 3.08Å
156A96.9Very high97.8Very high0 Ų023.4 Ų23.40%012%0.117CC..THydrogen-bonded Turntrans-77.16.1169.300000112E125 K128 M153 I154 E158 R236E125-A156 WeakPolarHBondContact O-CA 3.48Å; E125-A156 WeakPolarHBondContact O-CB 3.36Å; E125-A156 PolarHBondContact O-N 2.8Å; K128-A156 WeakPolarHBondContact CE-O 3.47Å; K128-A156 HydrophobicContact CG-CB 4.16Å; M153-A156 CarbonylContact O-C 3.56Å; M153-A156 PolarHBondContact O-N 2.64Å; I154-A156 VanDerWaalsContact C-N 3.28Å; I154-A156 PolarHBondContact O-N 3.46Å; A156-E158 VanDerWaalsContact C-N 3.29Å; A156-E158 PolarHBondContact O-N 2.94Å; A156-R236 HydrophobicContact CB-CG 4.43Å; A156-R236 WeakPolarHBondContact O-CB 3.18Å
157N97.1Very high97.8Very high31 Ų3123.4 Ų23.417%0.16612%0.117CC..THydrogen-bonded Turntrans5838.9-178.3-160.638.8000112.9M153 I154 N155 R236 E238M153-N157 PolarHBondContact O-N 3.13Å; I154-N157 VanDerWaalsContact O-CA 3.29Å; I154-N157 WeakPolarHBondContact O-CA 3.17Å; I154-N157 PolarHBondContact O-N 2.79Å; N155-N157 PolarHBondContact O-N 2.66Å; N157-R236 HydrophobicContact CB-CB 4.31Å; N157-R236 WeakPolarHBondContact CB-O 3.36Å; N157-E238 VanDerWaalsContact ND2-CG 3.28Å; N157-E238 WeakPolarHBondContact ND2-CG 3.34Å; N157-E238 PolarHBondContact ND2-N 3.42Å
158E97.6Very high97.8Very high27 Ų2724.2 Ų24.213%0.12612%0.124CC..  trans-115.2153.7176.8-63.9-175.2124.100111.4K128 S129 M153 A156 A163K128-E158 HydrophobicContact CG-CG 4.2Å; S129-E158 WeakPolarHBondContact CB-OE1 3.13Å; S129-E158 WeakPolarHBondContact CB-OE2 3.45Å; S129-E158 VanDerWaalsContact N-CD 3.33Å; S129-E158 PolarHBondContact N-OE1 3.43Å; S129-E158 VanDerWaalsContact N-OE1 3.14Å; S129-E158 PolarHBondContact N-OE2 3.19Å; S129-E158 PolarHBondContact OG-OE1 3.31Å; S129-E158 PolarHBondContact OG-OE2 3.41Å; M153-E158 HydrophobicContact CB-CB 4.17Å; M153-E158 HydrophobicContact CG-CB 4.37Å; M153-E158 PolarHBondContact O-N 3.34Å; A156-E158 VanDerWaalsContact C-N 3.29Å; A156-E158 PolarHBondContact O-N 2.94Å; E158-A163 HydrophobicContact CB-CB 4.24Å
159H97Very high97.8Very high119 Ų11928.2 Ų28.255%0.55115%0.15SC*.  trans-85.2137.2172.6-69-50.7000111I161 D162 A163H159-I161 PolarHBondContact O-N 3.2Å; H159-D162 HydrophobicContact CB-CB 4.4Å; H159-D162 PolarHBondContact O-N 3.01Å; H159-A163 PolarHBondContact O-N 3.14Å
160P98Very high97.8Very high9 Ų930.1 Ų30.16%0.05816%0.159CC..Hα-helixtrans-55.3-43.3-170.6-2934000115.3M153 I154 L164 M200 P201 L205M153-P160 HydrophobicContact CE-CB 3.89Å; M153-P160 HydrophobicContact CE-CG 4.49Å; M153-P160 HydrophobicContact CG-CB 4.45Å; M153-P160 HydrophobicContact CG-CG 4.39Å; M153-P160 HydrophobicContact SD-CB 3.82Å; M153-P160 HydrophobicContact SD-CG 3.76Å; I154-P160 HydrophobicContact CD1-CG 3.68Å; P160-L164 WeakPolarHBondContact O-CB 3.23Å; P160-L164 PolarHBondContact O-N 3.18Å; P160-M200 HydrophobicContact CG-SD 4.03Å; P160-P201 HydrophobicContact CB-CG 3.95Å; P160-P201 HydrophobicContact CG-CG 4.33Å; P160-L205 HydrophobicContact CB-CD1 4.11Å; P160-L205 HydrophobicContact CB-CD2 4.03Å
161I98.3Very high97.9Very high34 Ų3430.1 Ų30.117%0.17416%0.159CC..Hα-helixtrans-71.8-32.8-178.8-63.1-69000111.7H159 K165 P201 A204 L205H159-I161 PolarHBondContact O-N 3.2Å; I161-K165 HydrophobicContact CG2-CD 4.41Å; I161-K165 VanDerWaalsContact O-CG 3.29Å; I161-K165 WeakPolarHBondContact O-CG 3.3Å; I161-K165 PolarHBondContact O-N 3.03Å; I161-P201 HydrophobicContact CD1-CB 4.41Å; I161-P201 HydrophobicContact CD1-CG 4.13Å; I161-P201 HydrophobicContact CG1-CB 4.35Å; I161-P201 HydrophobicContact CG1-CG 3.88Å; I161-A204 HydrophobicContact CD1-CB 3.97Å; I161-L205 HydrophobicContact CD1-CD2 3.76Å; I161-L205 HydrophobicContact CD1-CG 4.14Å
162D98.3Very high97.9Very high83 Ų8331.7 Ų31.744%0.44417%0.168SC..Hα-helixtrans-76.8-41.3180-63.5-32000110.7H159 L164 K165 T166H159-D162 HydrophobicContact CB-CB 4.4Å; H159-D162 PolarHBondContact O-N 3.01Å; D162-L164 VanDerWaalsContact C-N 3.33Å; D162-L164 PolarHBondContact O-N 3.36Å; D162-K165 PolarHBondContact O-N 3.07Å; D162-K165 IonicContact OD1-NZ 3.46Å; D162-T166 PolarHBondContact O-N 2.99Å; D162-T166 PolarHBondContact O-OG1 3.25Å; D162-T166 VanDerWaalsContact O-OG1 3.13Å
163A98.4Very high98Very high1 Ų131.7 Ų31.71%0.00817%0.168CC..Hα-helixtrans-58.2-45170.400000111.4F148 M153 E158 H159 K165 T166 M167F148-A163 HydrophobicContact CE2-CB 4.4Å; M153-A163 HydrophobicContact CB-CB 3.81Å; M153-A163 HydrophobicContact CG-CB 3.81Å; E158-A163 HydrophobicContact CB-CB 4.24Å; H159-A163 PolarHBondContact O-N 3.14Å; A163-K165 PolarHBondContact O-N 2.81Å; A163-T166 PolarHBondContact O-N 3.42Å; A163-M167 WeakPolarHBondContact O-CB 3.46Å; A163-M167 WeakPolarHBondContact O-CG 3.47Å; A163-M167 PolarHBondContact O-N 3.4Å
164L98.6Very high98.1Very high4 Ų431.7 Ų31.72%0.02117%0.168CC..Hα-helixtrans-56.2-51.2175.1-173.3163.5000110.8F148 P160 D162 T166 M167 A168 I171 L205 H208 L209F148-L164 HydrophobicContact CE1-CB 4.47Å; F148-L164 HydrophobicContact CE1-CD1 4.35Å; F148-L164 HydrophobicContact CE2-CB 3.77Å; F148-L164 HydrophobicContact CE2-CG 4.41Å; F148-L164 HydrophobicContact CZ-CB 3.68Å; F148-L164 HydrophobicContact CZ-CD1 4.33Å; F148-L164 HydrophobicContact CZ-CG 4.24Å; P160-L164 WeakPolarHBondContact O-CB 3.23Å; P160-L164 PolarHBondContact O-N 3.18Å; D162-L164 VanDerWaalsContact C-N 3.33Å; D162-L164 PolarHBondContact O-N 3.36Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 2.87Å; L164-M167 CarbonylContact O-C 3.53Å; L164-M167 PolarHBondContact O-N 3.18Å; L164-A168 HydrophobicContact CD2-CB 4.43Å; L164-A168 WeakPolarHBondContact O-CA 3.42Å; L164-A168 WeakPolarHBondContact O-CB 3.3Å; L164-A168 PolarHBondContact O-N 2.9Å; L164-I171 HydrophobicContact CG-CD1 4.42Å; L164-L205 HydrophobicContact CB-CD2 4.32Å; L164-L205 HydrophobicContact CD1-CD2 3.58Å; L164-H208 HydrophobicContact CD1-CB 3.71Å; L164-H208 HydrophobicContact CD2-CB 3.83Å; L164-L209 HydrophobicContact CD1-CD1 4.47Å; L164-L209 HydrophobicContact CD1-CD2 4.17Å; L164-L209 HydrophobicContact CD1-CG 3.93Å; L164-L209 HydrophobicContact CG-CD2 4.42Å
165K98.5Very high98.1Very high121 Ų12131.9 Ų31.953%0.52617%0.169SC..Hα-helixtrans-59.5-40.5-179.4-74.5168-173.9164.40112.4I161 D162 A163I161-K165 HydrophobicContact CG2-CD 4.41Å; I161-K165 VanDerWaalsContact O-CG 3.29Å; I161-K165 WeakPolarHBondContact O-CG 3.3Å; I161-K165 PolarHBondContact O-N 3.03Å; D162-K165 PolarHBondContact O-N 3.07Å; D162-K165 IonicContact OD1-NZ 3.46Å; A163-K165 PolarHBondContact O-N 2.81Å
166T98.6Very high98.2Very high60 Ų6031.9 Ų31.937%0.36817%0.169SC..Hα-helixtrans-63.5-43.9177-61.40000111.2S129 H130 V133 D162 A163 L164S129-T166 WeakPolarHBondContact OG-CB 3.31Å; S129-T166 WeakPolarHBondContact OG-CG2 3.28Å; H130-T166 HydrophobicContact CB-CG2 4.03Å; V133-T166 HydrophobicContact CG2-CG2 4.37Å; V133-T166 WeakPolarHBondContact CG2-O 3.49Å; D162-T166 PolarHBondContact O-N 2.99Å; D162-T166 PolarHBondContact O-OG1 3.25Å; D162-T166 VanDerWaalsContact O-OG1 3.13Å; A163-T166 PolarHBondContact O-N 3.42Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 2.87Å
167M98.5Very high98.2Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-82.5-19.4-176.8-67.9168.570.700114Q123 V133 L146 F148 A163 L164 P169 H170 I171Q123-M167 HydrophobicContact CB-CE 3.63Å; Q123-M167 HydrophobicContact CB-SD 4.35Å; Q123-M167 HydrophobicContact CG-CE 4.02Å; Q123-M167 HydrophobicContact CG-SD 4.06Å; V133-M167 HydrophobicContact CG2-CB 4.39Å; V133-M167 HydrophobicContact CG2-CG 4.08Å; L146-M167 HydrophobicContact CB-CE 4.01Å; L146-M167 HydrophobicContact CD1-CB 3.97Å; L146-M167 HydrophobicContact CD1-CE 3.75Å; L146-M167 HydrophobicContact CD1-CG 3.9Å; L146-M167 HydrophobicContact CG-CE 4.34Å; F148-M167 HydrophobicContact CD2-CE 4.04Å; F148-M167 HydrophobicContact CD2-SD 3.87Å; F148-M167 HydrophobicContact CE2-SD 4.29Å; A163-M167 WeakPolarHBondContact O-CB 3.46Å; A163-M167 WeakPolarHBondContact O-CG 3.47Å; A163-M167 PolarHBondContact O-N 3.4Å; L164-M167 CarbonylContact O-C 3.53Å; L164-M167 PolarHBondContact O-N 3.18Å; M167-P169 VanDerWaalsContact C-N 3.31Å; M167-P169 WeakPolarHBondContact O-CD 3.32Å; M167-H170 PolarHBondContact O-N 2.67Å; M167-I171 HydrophobicContact CB-CD1 3.84Å; M167-I171 HydrophobicContact CB-CG1 3.86Å; M167-I171 WeakPolarHBondContact O-CG1 3.09Å; M167-I171 PolarHBondContact O-N 2.58Å
168A98.4Very high98.2Very high17 Ų1730.8 Ų30.814%0.1416%0.163CC..G310 helixtrans-43.3-42.9-16800000115.4L164 H170 L212 Q218L164-A168 HydrophobicContact CD2-CB 4.43Å; L164-A168 WeakPolarHBondContact O-CA 3.42Å; L164-A168 WeakPolarHBondContact O-CB 3.3Å; L164-A168 PolarHBondContact O-N 2.9Å; A168-H170 PolarHBondContact O-N 3.38Å; A168-H170 VanDerWaalsContact O-N 3.08Å; A168-L212 HydrophobicContact CB-CD2 3.95Å; A168-Q218 PolarHBondContact O-NE2 3.27Å
169P97.6Very high98.3Very high84 Ų8429.5 Ų29.555%0.54516%0.157SC..G310 helixtrans-64.9-13.9-179.3-22.135000115M167M167-P169 VanDerWaalsContact C-N 3.31Å; M167-P169 WeakPolarHBondContact O-CD 3.32Å
170H98.4Very high98.3Very high41 Ų4127.2 Ų27.219%0.1915%0.148CC..G310 helixtrans-122.91.4-172.2-58.5-70.6000113.5V136 K137 S145 L146 M167 A168V136-H170 HydrophobicContact CG1-CB 4.26Å; K137-H170 WeakPolarHBondContact CE-NE2 3.25Å; S145-H170 WeakPolarHBondContact CB-O 3.18Å; L146-H170 HydrophobicContact CD1-CB 3.9Å; L146-H170 HydrophobicContact CG-CB 4Å; L146-H170 PolarHBondContact N-O 2.85Å; M167-H170 PolarHBondContact O-N 2.67Å; A168-H170 PolarHBondContact O-N 3.38Å; A168-H170 VanDerWaalsContact O-N 3.08Å
171I98.7Very high98.4Very high0 Ų029.5 Ų29.50%016%0.159CC..EExtended strand (participates in β ladder)trans-80.2121.8-178.9-58.9169.9000110L146 F148 L164 M167 Q173 V174 L209 L212 Q218 V219L146-I171 WeakPolarHBondContact O-CA 3.15Å; F148-I171 HydrophobicContact CB-CD1 3.79Å; F148-I171 HydrophobicContact CB-CG1 4.05Å; F148-I171 HydrophobicContact CB-CG2 3.76Å; F148-I171 HydrophobicContact CD2-CD1 3.87Å; F148-I171 HydrophobicContact CG-CD1 3.93Å; L164-I171 HydrophobicContact CG-CD1 4.42Å; M167-I171 HydrophobicContact CB-CD1 3.84Å; M167-I171 HydrophobicContact CB-CG1 3.86Å; M167-I171 WeakPolarHBondContact O-CG1 3.09Å; M167-I171 PolarHBondContact O-N 2.58Å; I171-Q173 WeakPolarHBondContact CG2-O 3.23Å; I171-V174 HydrophobicContact CG2-CG2 4.16Å; I171-L209 HydrophobicContact CD1-CD2 4.03Å; I171-L209 HydrophobicContact CG2-CD2 3.97Å; I171-L212 HydrophobicContact CB-CD1 4.14Å; I171-L212 HydrophobicContact CD1-CD1 4.33Å; I171-Q218 WeakPolarHBondContact O-CG 3.45Å; I171-Q218 PolarHBondContact O-NE2 3Å; I171-V219 HydrophobicContact CG2-CG2 4.07Å
172T98.6Very high98.3Very high33 Ų3330.3 Ų30.320%0.20217%0.166CC..EExtended strand (participates in β ladder)trans-121.3-18.5173.161.80000112.8S145 L146 V219 T220S145-T172 VanDerWaalsContact CB-CG2 3.47Å; S145-T172 WeakPolarHBondContact CB-OG1 3.06Å; S145-T172 WeakPolarHBondContact OG-CG2 3.41Å; S145-T172 PolarHBondContact OG-OG1 2.93Å; L146-T172 PolarHBondContact O-N 3.41Å; L146-T172 VanDerWaalsContact O-N 3.07Å; T172-V219 CarbonylContact O-C 3.54Å; T172-V219 WeakPolarHBondContact O-CA 3.45Å; T172-T220 PolarHBondContact O-N 3.24Å; T172-T220 PolarHBondContact O-OG1 2.8Å
173Q98.6Very high98.3Very high1 Ų135.2 Ų35.21%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-133.7157.3177.5-60.4-167.510.100111S83 T120 L146 L147 F148 I171 A221S83-Q173 PolarHBondContact OG-NE2 3.44Å; T120-Q173 HydrophobicContact CG2-CB 4.16Å; T120-Q173 HydrophobicContact CG2-CG 3.81Å; L146-Q173 PolarHBondContact O-N 2.93Å; L147-Q173 CarbonylContact C-O 3.59Å; L147-Q173 VanDerWaalsContact CA-O 3.27Å; L147-Q173 WeakPolarHBondContact CA-O 3.29Å; L147-Q173 HydrophobicContact CB-CB 4.19Å; L147-Q173 HydrophobicContact CD1-CB 4.15Å; L147-Q173 HydrophobicContact CG-CB 4.05Å; F148-Q173 PolarHBondContact N-O 2.91Å; I171-Q173 WeakPolarHBondContact CG2-O 3.23Å; Q173-A221 WeakPolarHBondContact CA-O 3.39Å; Q173-A221 HydrophobicContact CG-CB 4.16Å
174V98.7Very high98.2Very high0 Ų037.9 Ų37.90%020%0.196CC..EExtended strand (participates in β ladder)trans-137.6142.2-175.9174.60000110.3F148 F150 I171 I176 L209 V219 A221 Y222 G223F148-V174 CarbonylContact O-C 3.51Å; F148-V174 VanDerWaalsContact O-CA 3.23Å; F148-V174 WeakPolarHBondContact O-CA 3.29Å; F148-V174 WeakPolarHBondContact O-CG1 3.39Å; F150-V174 HydrophobicContact CD1-CG1 4.04Å; F150-V174 HydrophobicContact CE1-CG1 3.61Å; I171-V174 HydrophobicContact CG2-CG2 4.16Å; V174-I176 HydrophobicContact CG1-CG1 3.83Å; V174-L209 HydrophobicContact CG1-CD1 3.9Å; V174-L209 HydrophobicContact CG2-CD1 3.81Å; V174-L209 HydrophobicContact CG2-CD2 3.77Å; V174-L209 HydrophobicContact CG2-CG 4.25Å; V174-V219 HydrophobicContact CB-CG1 4.43Å; V174-V219 HydrophobicContact CG2-CG1 3.62Å; V174-V219 HydrophobicContact CG2-CG2 4.4Å; V174-A221 PolarHBondContact N-O 2.78Å; V174-Y222 HydrophobicContact CB-CD1 3.74Å; V174-Y222 HydrophobicContact CB-CE1 4.18Å; V174-Y222 HydrophobicContact CB-CG 4.44Å; V174-Y222 HydrophobicContact CG1-CD1 3.97Å; V174-Y222 HydrophobicContact CG1-CE1 4.43Å; V174-Y222 HydrophobicContact CG2-CD1 4.06Å; V174-Y222 HydrophobicContact CG2-CE1 3.97Å; V174-G223 PolarHBondContact O-N 3.45Å
175H98.2Very high98Very high4 Ų446.5 Ų46.52%0.01924%0.236CC..EExtended strand (participates in β ladder)trans-107.2118.4160-75.2168.1000109.7K24 E60 E122 L147 F148 D149 F150 E225K24-H175 WeakPolarHBondContact CD-NE2 3.44Å; K24-H175 PolarHBondContact NZ-NE2 2.89Å; E60-H175 IonicContact OE1-CE1 3.47Å; E60-H175 PolarHBondContact OE1-CE1 2.54Å; E60-H175 VanDerWaalsContact OE1-CE1 3.26Å; E60-H175 IonicContact OE1-NE2 3.81Å; E60-H175 PolarHBondContact OE1-NE2 2.74Å; E60-H175 VanDerWaalsContact OE1-NE2 3.13Å; E122-H175 IonicContact OE1-CE1 3.58Å; E122-H175 IonicContact OE1-CG 3.01Å; E122-H175 IonicContact OE1-ND1 2.79Å; E122-H175 PolarHBondContact OE1-ND1 2.91Å; L147-H175 WeakPolarHBondContact CD1-NE2 3.47Å; L147-H175 HydrophobicContact CD2-CB 4Å; F148-H175 PolarHBondContact O-N 3.2Å; D149-H175 HydrophobicContact CB-CB 4.24Å; F150-H175 WeakPolarHBondContact CD1-O 3.47Å; F150-H175 PolarHBondContact N-O 3.12Å; H175-E225 IonicContact CG-OE2 3.2Å; H175-E225 IonicContact ND1-OE2 3.97Å
176I98.4Very high97.8Very high1 Ų141.9 Ų41.91%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-94.4120.3178.8-58.8170.7000107.5F150 V174 F202 L206 Y222 G223 L224 E225 Q276 V280F150-I176 HydrophobicContact CD2-CG2 4.25Å; F150-I176 HydrophobicContact CE1-CG1 4.16Å; F150-I176 HydrophobicContact CE2-CG2 4.05Å; F150-I176 HydrophobicContact CZ-CG1 4.15Å; F150-I176 HydrophobicContact CZ-CG2 4.4Å; V174-I176 HydrophobicContact CG1-CG1 3.83Å; I176-F202 HydrophobicContact CG2-CE1 3.96Å; I176-F202 HydrophobicContact CG2-CE2 3.75Å; I176-F202 HydrophobicContact CG2-CZ 3.24Å; I176-L206 HydrophobicContact CD1-CD2 3.69Å; I176-L206 HydrophobicContact CG1-CD2 4.25Å; I176-Y222 HydrophobicContact CD1-CD1 3.94Å; I176-Y222 HydrophobicContact CD1-CG 4.42Å; I176-Y222 HydrophobicContact CG1-CD1 4.44Å; I176-G223 WeakPolarHBondContact CB-O 3.13Å; I176-G223 PolarHBondContact N-O 3.04Å; I176-L224 HydrophobicContact CB-CD2 4.18Å; I176-L224 HydrophobicContact CD1-CD2 3.77Å; I176-L224 HydrophobicContact CG1-CD2 4.47Å; I176-E225 PolarHBondContact O-N 3.18Å; I176-Q276 PolarHBondContact O-NE2 3Å; I176-V280 HydrophobicContact CD1-CG1 4.24Å; I176-V280 HydrophobicContact CD1-CG2 4.48Å; I176-V280 HydrophobicContact CG2-CG2 4.04Å
177K97.3Very high97.8Very high5 Ų539.2 Ų39.22%0.02221%0.207CC..  trans-144.1171.8169.264.9-173.362.3173.50109.7D149 F150 A151 E225 E227D149-K177 WeakPolarHBondContact OD1-CD 3.28Å; D149-K177 IonicContact OD1-NZ 3.12Å; D149-K177 WeakPolarHBondContact OD2-CE 3.5Å; D149-K177 IonicContact OD2-NZ 2.65Å; D149-K177 PolarHBondContact OD2-NZ 2.94Å; F150-K177 HydrophobicContact CB-CG 4.19Å; F150-K177 WeakPolarHBondContact CB-O 3.4Å; F150-K177 WeakPolarHBondContact CD2-O 3.36Å; A151-K177 HydrophobicContact CB-CD 3.83Å; A151-K177 HydrophobicContact CB-CG 3.85Å; K177-E225 VanDerWaalsContact CB-O 3.23Å; K177-E225 WeakPolarHBondContact CB-O 3.47Å; K177-E225 WeakPolarHBondContact CE-OE2 3.39Å; K177-E225 IonicContact NZ-OE2 2.78Å; K177-E225 PolarHBondContact NZ-OE2 2.91Å; K177-E227 WeakPolarHBondContact CE-OE2 3.28Å; K177-E227 IonicContact NZ-OE2 3.9Å; K177-E227 PolarHBondContact NZ-OE2 2.9Å
178D98.4Very high97.7Very high3 Ų340.4 Ų40.42%0.01621%0.213CC..EExtended strand (participates in β ladder)trans-129.7146171-160.83.2000109.7A192 C193 G196 Q197 G198 M200 F202D178-A192 WeakPolarHBondContact O-CA 3.28Å; D178-C193 PolarHBondContact O-N 3.26Å; D178-G196 WeakPolarHBondContact OD2-CA 3.07Å; D178-G196 PolarHBondContact OD2-N 3.01Å; D178-Q197 PolarHBondContact OD2-N 2.83Å; D178-G198 WeakPolarHBondContact OD1-CA 3.4Å; D178-G198 WeakPolarHBondContact OD2-CA 3.4Å; D178-G198 PolarHBondContact OD2-N 3.29Å; D178-M200 WeakPolarHBondContact OD1-CB 3.39Å; D178-M200 PolarHBondContact OD1-N 2.9Å; D178-F202 HydrophobicContact CB-CD2 4.14Å; D178-F202 HydrophobicContact CB-CE2 4.15Å
179A98.3Very high97.7Very high0 Ų039.6 Ų39.60%021%0.207CC..EExtended strand (participates in β ladder)trans-151.5146.6-17300000111.4A151 H190 K191 D199 M200A151-A179 HydrophobicContact CB-CB 3.82Å; A179-H190 HydrophobicContact CB-CB 4Å; A179-K191 CarbonylContact C-O 3.6Å; A179-K191 VanDerWaalsContact CA-O 3.29Å; A179-K191 WeakPolarHBondContact CA-O 3.35Å; A179-D199 PolarHBondContact O-N 3.17Å; A179-M200 HydrophobicContact CB-CE 4.44Å; A179-M200 WeakPolarHBondContact O-CE 3.34Å
180L98.5Very high97.7Very high71 Ų7135.6 Ų35.637%0.37218%0.181SC..EExtended strand (participates in β ladder)trans-80.5132.4166.7-64.3166.9000109H190 K191 D199L180-H190 CarbonylContact O-C 3.44Å; L180-H190 VanDerWaalsContact O-CA 3.3Å; L180-H190 WeakPolarHBondContact O-CA 3.39Å; L180-K191 PolarHBondContact N-O 2.77Å; L180-K191 PolarHBondContact O-N 2.93Å; L180-D199 WeakPolarHBondContact CA-OD2 3.4Å
181I98.2Very high97.6Very high56 Ų5637.6 Ų37.629%0.28719%0.189SC..EExtended strand (participates in β ladder)trans-81.2124176.1-63.4171000108.7I154 L188 D199 M200I154-I181 HydrophobicContact CD1-CD1 3.79Å; I154-I181 HydrophobicContact CD1-CG1 3.98Å; I154-I181 HydrophobicContact CG1-CG1 4.3Å; I154-I181 HydrophobicContact CG2-CG1 4.26Å; I154-I181 HydrophobicContact CG2-CG2 4.12Å; I181-L188 HydrophobicContact CG2-CB 4.32Å; I181-L188 HydrophobicContact CG2-CD1 4.28Å; I181-L188 HydrophobicContact CG2-CD2 3.99Å; I181-L188 HydrophobicContact CG2-CG 4.44Å; I181-D199 HydrophobicContact CD1-CB 4.13Å; I181-D199 HydrophobicContact CG1-CB 4.04Å; I181-D199 PolarHBondContact N-OD2 3.1Å; I181-M200 HydrophobicContact CD1-CE 3.83Å; I181-M200 HydrophobicContact CG1-CE 3.56Å
182V97.9Very high97.6Very high52 Ų5237.6 Ų37.632%0.31519%0.189SC..EExtended strand (participates in β ladder)trans-104.1116.6179.5-176.60000108.4E184 L188 G189 K191V182-E184 HydrophobicContact CG1-CG 4.29Å; V182-E184 PolarHBondContact O-N 2.93Å; V182-L188 CarbonylContact O-C 3.45Å; V182-L188 WeakPolarHBondContact O-CA 3.4Å; V182-G189 PolarHBondContact N-O 2.71Å; V182-G189 PolarHBondContact O-N 2.91Å; V182-K191 HydrophobicContact CG2-CB 4.36Å
183K97.6Very high97.5Very high186 Ų18636.8 Ų36.881%0.80918%0.184SC*.EExtended strand (participates in β ladder)trans-72.7126.1173.6-67.2-172.3178.5-173.30110L188K183-L188 HydrophobicContact CG-CD2 4.14Å
184E96.4Very high97.5Very high57 Ų5738.5 Ų38.527%0.26619%0.193SC..EExtended strand (participates in β ladder)trans-119.8179.2176.3-63.9-174.3-173.700109.9V182 G186 G187 Y231 A234V182-E184 HydrophobicContact CG1-CG 4.29Å; V182-E184 PolarHBondContact O-N 2.93Å; E184-G186 PolarHBondContact O-N 2.8Å; E184-G186 VanDerWaalsContact O-N 3.07Å; E184-G187 CarbonylContact C-O 3.55Å; E184-G187 PolarHBondContact N-O 3.33Å; E184-Y231 PolarHBondContact OE1-OH 2.96Å; E184-A234 HydrophobicContact CB-CB 4.33Å; E184-A234 PolarHBondContact OE2-N 3.26Å
185Q93.9Very high97.5Very high184 Ų18438.9 Ų38.986%0.8620%0.196SC*.THydrogen-bonded Turntrans-69.6109179.1-177.4177.1-4.800109.8G187 F237Q185-G187 PolarHBondContact O-N 3.49Å; Q185-F237 WeakPolarHBondContact O-CD1 3.33Å
186G95.1Very high97.5Very high25 Ų2541 Ų4126%0.25822%0.218SC..THydrogen-bonded Turntrans73.26.8175.100000114.9E184 F237 E238E184-G186 PolarHBondContact O-N 2.8Å; E184-G186 VanDerWaalsContact O-N 3.07Å; G186-F237 CarbonylContact O-C 3.6Å; G186-F237 WeakPolarHBondContact O-CA 3.19Å; G186-F237 WeakPolarHBondContact O-CB 3.26Å; G186-E238 PolarHBondContact O-N 3.2Å
187G97.1Very high97.4Very high4 Ų447.1 Ų47.14%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-160.7-174.2-178.600000111.8E184 Q185E184-G187 CarbonylContact C-O 3.55Å; E184-G187 PolarHBondContact N-O 3.33Å; Q185-G187 PolarHBondContact O-N 3.49Å
188L97.9Very high97.5Very high24 Ų2447.9 Ų47.913%0.12626%0.257CS..EExtended strand (participates in β ladder)trans-124.9129.8-177.9-56.8172.8000110.1I154 N155 I181 V182 K183 A234I154-L188 HydrophobicContact CG2-CB 3.61Å; I154-L188 HydrophobicContact CG2-CD1 4.48Å; I154-L188 WeakPolarHBondContact O-CB 3.28Å; N155-L188 VanDerWaalsContact CA-O 3.3Å; N155-L188 WeakPolarHBondContact CA-O 3.08Å; I181-L188 HydrophobicContact CG2-CB 4.32Å; I181-L188 HydrophobicContact CG2-CD1 4.28Å; I181-L188 HydrophobicContact CG2-CD2 3.99Å; I181-L188 HydrophobicContact CG2-CG 4.44Å; V182-L188 CarbonylContact O-C 3.45Å; V182-L188 WeakPolarHBondContact O-CA 3.4Å; K183-L188 HydrophobicContact CG-CD2 4.14Å; L188-A234 VanDerWaalsContact O-CA 3.31Å; L188-A234 WeakPolarHBondContact O-CA 3.38Å; L188-A234 WeakPolarHBondContact O-CB 3.25Å
189G97.3Very high97.5Very high0 Ų052 Ų520%028%0.278CS..EExtended strand (participates in β ladder)trans-96.2175.316200000110.7I154 V182 A232I154-G189 VanDerWaalsContact CG2-O 3.3Å; I154-G189 WeakPolarHBondContact CG2-O 3.45Å; V182-G189 PolarHBondContact N-O 2.71Å; V182-G189 PolarHBondContact O-N 2.91Å; G189-A232 CarbonylContact C-O 3.58Å; G189-A232 WeakPolarHBondContact CA-O 3.29Å
190H97.6Very high97.5Very high0 Ų052.5 Ų52.50%028%0.281CS..EExtended strand (participates in β ladder)trans-135.3152.1170.182.8-108.1000111.4I154 N155 A179 L180 Y230 Y231 A232I154-H190 HydrophobicContact CB-CB 4.31Å; I154-H190 HydrophobicContact CG2-CB 4.12Å; N155-H190 PolarHBondContact OD1-CE1 3.45Å; N155-H190 PolarHBondContact OD1-ND1 2.87Å; A179-H190 HydrophobicContact CB-CB 4Å; L180-H190 CarbonylContact O-C 3.44Å; L180-H190 VanDerWaalsContact O-CA 3.3Å; L180-H190 WeakPolarHBondContact O-CA 3.39Å; H190-Y230 AromaticContact NE2-CD1 3.63Å; H190-Y230 AromaticContact NE2-CE1 3.77Å; H190-Y231 WeakPolarHBondContact O-CA 3.37Å; H190-Y231 VanDerWaalsContact O-CD2 3.29Å; H190-Y231 WeakPolarHBondContact O-CD2 3.3Å; H190-A232 PolarHBondContact N-O 3.49Å; H190-A232 PolarHBondContact O-N 3.09Å
191K97.6Very high97.5Very high83 Ų8351.3 Ų51.336%0.36128%0.278SS..EExtended strand (participates in β ladder)trans-120111.3166.1-175.4-178.5177.1-1740109.5A179 L180 V182 D229 Y230A179-K191 CarbonylContact C-O 3.6Å; A179-K191 VanDerWaalsContact CA-O 3.29Å; A179-K191 WeakPolarHBondContact CA-O 3.35Å; L180-K191 PolarHBondContact N-O 2.77Å; L180-K191 PolarHBondContact O-N 2.93Å; V182-K191 HydrophobicContact CG2-CB 4.36Å; K191-D229 WeakPolarHBondContact CE-OD1 3.07Å; K191-D229 IonicContact NZ-OD1 2.64Å; K191-D229 PolarHBondContact NZ-OD1 2.88Å; K191-D229 VanDerWaalsContact NZ-OD1 3.1Å; K191-Y230 CarbonylContact C-O 3.55Å; K191-Y230 WeakPolarHBondContact CA-O 3.4Å
192A97.5Very high97.5Very high1 Ų149.3 Ų49.31%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-61.3139.8176.500000110.7D178 E227 D229 Y230D178-A192 WeakPolarHBondContact O-CA 3.28Å; A192-E227 HydrophobicContact CB-CB 4.14Å; A192-E227 WeakPolarHBondContact CB-O 3.18Å; A192-D229 PolarHBondContact O-N 3.12Å; A192-Y230 PolarHBondContact N-O 2.91Å
193C97.5Very high97.5Very high15 Ų1550.3 Ų50.310%0.10127%0.267CS..EExtended strand (participates in β ladder)trans-147.3173-171.169.10000110.4D178 S195 G198 E226D178-C193 PolarHBondContact O-N 3.26Å; C193-S195 PolarHBondContact O-N 3.06Å; C193-G198 WeakPolarHBondContact SG-CA 3.39Å; C193-G198 PolarHBondContact SG-N 3.27Å; C193-G198 VanDerWaalsContact SG-N 3.39Å; C193-E226 VanDerWaalsContact O-OE1 3.04Å
194I98Very high97.5Very high38 Ų3843.4 Ų43.420%0.19524%0.244CC..SBendtrans-58.7127.6180-62169.8000109.7G196 Q197 E226 V228I194-G196 PolarHBondContact O-N 3.47Å; I194-Q197 HydrophobicContact CB-CG 4.22Å; I194-Q197 HydrophobicContact CG2-CG 4.45Å; I194-Q197 VanDerWaalsContact O-CB 3.3Å; I194-Q197 WeakPolarHBondContact O-CB 3.21Å; I194-Q197 PolarHBondContact O-N 3.43Å; I194-E226 WeakPolarHBondContact CA-OE1 3.32Å; I194-V228 HydrophobicContact CG1-CG1 4.33Å; I194-V228 HydrophobicContact CG1-CG2 3.89Å
195S98.4Very high97.6Very high8 Ų840.7 Ų40.76%0.05623%0.232CC..THydrogen-bonded Turntrans-47.2122.3176.6-65.80000113.5C193 E226 Q276 H279C193-S195 PolarHBondContact O-N 3.06Å; S195-E226 WeakPolarHBondContact CB-OE2 3.42Å; S195-E226 PolarHBondContact N-OE1 3.38Å; S195-E226 PolarHBondContact OG-OE2 2.95Å; S195-Q276 WeakPolarHBondContact OG-CG 3.38Å; S195-Q276 PolarHBondContact OG-NE2 3.17Å; S195-H279 PolarHBondContact O-ND1 2.77Å
196G97.6Very high97.9Very high47 Ų4732 Ų3249%0.48519%0.191SC..THydrogen-bonded Turntrans94.73.8-175.700000114.9D178 I194 H279D178-G196 WeakPolarHBondContact OD2-CA 3.07Å; D178-G196 PolarHBondContact OD2-N 3.01Å; I194-G196 PolarHBondContact O-N 3.47Å; G196-H279 WeakPolarHBondContact CA-CE1 3.44Å
197Q98.1Very high98Very high130 Ų13032.9 Ų32.961%0.60719%0.192SC*.SBendtrans-117-0.2177.3-55.2-175.123.300113.1D178 I194D178-Q197 PolarHBondContact OD2-N 2.83Å; I194-Q197 HydrophobicContact CB-CG 4.22Å; I194-Q197 HydrophobicContact CG2-CG 4.45Å; I194-Q197 VanDerWaalsContact O-CB 3.3Å; I194-Q197 WeakPolarHBondContact O-CB 3.21Å; I194-Q197 PolarHBondContact O-N 3.43Å
198G98.2Very high98.1Very high22 Ų2236.7 Ų36.723%0.22721%0.208CC..SBendtrans-99.9-169.8179.200000113.6D178 C193D178-G198 WeakPolarHBondContact OD1-CA 3.4Å; D178-G198 WeakPolarHBondContact OD2-CA 3.4Å; D178-G198 PolarHBondContact OD2-N 3.29Å; C193-G198 WeakPolarHBondContact SG-CA 3.39Å; C193-G198 PolarHBondContact SG-N 3.27Å; C193-G198 VanDerWaalsContact SG-N 3.39Å
199D98.4Very high98.1Very high88 Ų8835.6 Ų35.647%0.47120%0.202SC..SBendtrans-99.2-1.2-177.1-64.2-47.5000112.4A179 L180 I181A179-D199 PolarHBondContact O-N 3.17Å; L180-D199 WeakPolarHBondContact CA-OD2 3.4Å; I181-D199 HydrophobicContact CD1-CB 4.13Å; I181-D199 HydrophobicContact CG1-CB 4.04Å; I181-D199 PolarHBondContact N-OD2 3.1Å
200M98.3Very high98.1Very high11 Ų1139 Ų395%0.05422%0.22CC..SBendtrans-66137.7-178.5-65-56.6100.800109.8A151 I154 P160 D178 A179 I181 F202A151-M200 HydrophobicContact CB-SD 4.21Å; I154-M200 HydrophobicContact CD1-CE 3.98Å; I154-M200 HydrophobicContact CD1-SD 4.49Å; I154-M200 HydrophobicContact CG1-CE 3.9Å; I154-M200 HydrophobicContact CG1-SD 4.31Å; P160-M200 HydrophobicContact CG-SD 4.03Å; D178-M200 WeakPolarHBondContact OD1-CB 3.39Å; D178-M200 PolarHBondContact OD1-N 2.9Å; A179-M200 HydrophobicContact CB-CE 4.44Å; A179-M200 WeakPolarHBondContact O-CE 3.34Å; I181-M200 HydrophobicContact CD1-CE 3.83Å; I181-M200 HydrophobicContact CG1-CE 3.56Å; M200-F202 PolarHBondContact O-N 2.84Å
201P98.2Very high98.1Very high47 Ų4743.4 Ų43.431%0.30525%0.25SC..  trans-73.661.1175.628.4-30.9000110.9P160 I161 K203 A204 L205P160-P201 HydrophobicContact CB-CG 3.95Å; P160-P201 HydrophobicContact CG-CG 4.33Å; I161-P201 HydrophobicContact CD1-CB 4.41Å; I161-P201 HydrophobicContact CD1-CG 4.13Å; I161-P201 HydrophobicContact CG1-CB 4.35Å; I161-P201 HydrophobicContact CG1-CG 3.88Å; P201-K203 PolarHBondContact O-N 3.1Å; P201-A204 HydrophobicContact CB-CB 4.32Å; P201-A204 WeakPolarHBondContact O-CA 3.43Å; P201-A204 WeakPolarHBondContact O-CB 3.22Å; P201-A204 PolarHBondContact O-N 3.17Å; P201-L205 HydrophobicContact CG-CD1 4.04Å; P201-L205 HydrophobicContact CG-CG 4.01Å; P201-L205 PolarHBondContact O-N 3.11Å
202F98.4Very high98.1Very high14 Ų1440.8 Ų40.86%0.06124%0.239CC..Hα-helixtrans-56.2-53.3-160-158.5-72.9000113F150 I176 D178 M200 A204 L205 L206 H279 V280 V283F150-F202 HydrophobicContact CD2-CD2 4.24Å; F150-F202 HydrophobicContact CD2-CE2 4.43Å; F150-F202 HydrophobicContact CE2-CD1 4.29Å; F150-F202 HydrophobicContact CE2-CD2 4.23Å; F150-F202 HydrophobicContact CE2-CE1 4.49Å; F150-F202 HydrophobicContact CE2-CE2 4.43Å; F150-F202 HydrophobicContact CE2-CG 4.17Å; I176-F202 HydrophobicContact CG2-CE1 3.96Å; I176-F202 HydrophobicContact CG2-CE2 3.75Å; I176-F202 HydrophobicContact CG2-CZ 3.24Å; D178-F202 HydrophobicContact CB-CD2 4.14Å; D178-F202 HydrophobicContact CB-CE2 4.15Å; M200-F202 PolarHBondContact O-N 2.84Å; F202-A204 VanDerWaalsContact C-N 3.32Å; F202-A204 PolarHBondContact O-N 2.76Å; F202-L205 PolarHBondContact O-N 3.26Å; F202-L206 HydrophobicContact CD1-CD1 3.78Å; F202-L206 HydrophobicContact CD1-CG 4.33Å; F202-L206 HydrophobicContact CE1-CD1 3.59Å; F202-L206 HydrophobicContact CE1-CG 4.34Å; F202-L206 PolarHBondContact O-N 3.12Å; F202-H279 AromaticContact CE1-CD2 3.89Å; F202-H279 AromaticContact CZ-CD2 3.87Å; F202-V280 HydrophobicContact CE1-CG2 3.95Å; F202-V280 HydrophobicContact CZ-CG2 3.78Å; F202-V283 HydrophobicContact CD1-CG1 4.43Å; F202-V283 HydrophobicContact CD1-CG2 4.26Å; F202-V283 HydrophobicContact CE1-CG2 4.42Å
203K98.3Very high98.1Very high73 Ų7342.2 Ų42.232%0.31726%0.255SS..Hα-helixtrans-63.3-38.8177.5-171.6179.372.6165.30111.7P201 T207 V283 Q286 I287 E290P201-K203 PolarHBondContact O-N 3.1Å; K203-T207 WeakPolarHBondContact O-CB 3.43Å; K203-T207 PolarHBondContact O-N 2.88Å; K203-T207 PolarHBondContact O-OG1 3.29Å; K203-V283 HydrophobicContact CB-CG1 3.72Å; K203-V283 HydrophobicContact CD-CG1 4.5Å; K203-V283 HydrophobicContact CG-CG1 3.71Å; K203-Q286 HydrophobicContact CD-CB 4.48Å; K203-I287 HydrophobicContact CD-CG1 4.29Å; K203-I287 HydrophobicContact CG-CD1 4.08Å; K203-I287 HydrophobicContact CG-CG1 3.73Å; K203-E290 VanDerWaalsContact NZ-CD 3.31Å; K203-E290 IonicContact NZ-OE1 3.48Å; K203-E290 PolarHBondContact NZ-OE1 3.47Å; K203-E290 IonicContact NZ-OE2 2.87Å; K203-E290 PolarHBondContact NZ-OE2 2.77Å
204A98.5Very high97.9Very high40 Ų4049.5 Ų49.533%0.33129%0.293SS..Hα-helixtrans-69.1-45.4-178.900000111.2I161 P201 F202 T207 H208I161-A204 HydrophobicContact CD1-CB 3.97Å; P201-A204 HydrophobicContact CB-CB 4.32Å; P201-A204 WeakPolarHBondContact O-CA 3.43Å; P201-A204 WeakPolarHBondContact O-CB 3.22Å; P201-A204 PolarHBondContact O-N 3.17Å; F202-A204 VanDerWaalsContact C-N 3.32Å; F202-A204 PolarHBondContact O-N 2.76Å; A204-T207 PolarHBondContact O-N 3.17Å; A204-H208 PolarHBondContact O-CD2 3.18Å; A204-H208 PolarHBondContact O-N 3.43Å
205L98.7Very high97.7Very high0 Ų056 Ų560%033%0.327CS..Hα-helixtrans-56.8-52.2173.8-69.8170.1000110.9F148 F150 P160 I161 L164 P201 F202 T207 H208 L209F148-L205 HydrophobicContact CE1-CD2 3.95Å; F148-L205 HydrophobicContact CZ-CD2 3.95Å; F150-L205 HydrophobicContact CB-CD1 4.37Å; F150-L205 HydrophobicContact CD1-CD1 4.23Å; F150-L205 HydrophobicContact CD2-CB 4.42Å; F150-L205 HydrophobicContact CD2-CD1 3.69Å; F150-L205 HydrophobicContact CE1-CB 4Å; F150-L205 HydrophobicContact CE1-CD1 4.44Å; F150-L205 HydrophobicContact CE2-CB 3.81Å; F150-L205 HydrophobicContact CE2-CD1 3.94Å; F150-L205 HydrophobicContact CG-CD1 3.84Å; F150-L205 HydrophobicContact CZ-CB 3.56Å; F150-L205 HydrophobicContact CZ-CD1 4.29Å; P160-L205 HydrophobicContact CB-CD1 4.11Å; P160-L205 HydrophobicContact CB-CD2 4.03Å; I161-L205 HydrophobicContact CD1-CD2 3.76Å; I161-L205 HydrophobicContact CD1-CG 4.14Å; L164-L205 HydrophobicContact CB-CD2 4.32Å; L164-L205 HydrophobicContact CD1-CD2 3.58Å; P201-L205 HydrophobicContact CG-CD1 4.04Å; P201-L205 HydrophobicContact CG-CG 4.01Å; P201-L205 PolarHBondContact O-N 3.11Å; F202-L205 PolarHBondContact O-N 3.26Å; L205-T207 VanDerWaalsContact C-N 3.31Å; L205-T207 PolarHBondContact O-N 3.37Å; L205-H208 PolarHBondContact O-N 3.04Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 WeakPolarHBondContact O-CD1 3.38Å; L205-L209 VanDerWaalsContact O-CG 3.23Å; L205-L209 WeakPolarHBondContact O-CG 3.44Å; L205-L209 PolarHBondContact O-N 3.18Å
206L98.5Very high97.6Very high1 Ų162.7 Ų62.71%0.00536%0.358CS..Hα-helixtrans-57.5-43.1176.8-78.8-178.9000112.5F150 I176 F202 L209 I210 Y222 V280 V283 I287F150-L206 HydrophobicContact CE2-CG 4.29Å; F150-L206 HydrophobicContact CZ-CD2 3.86Å; F150-L206 HydrophobicContact CZ-CG 3.88Å; I176-L206 HydrophobicContact CD1-CD2 3.69Å; I176-L206 HydrophobicContact CG1-CD2 4.25Å; F202-L206 HydrophobicContact CD1-CD1 3.78Å; F202-L206 HydrophobicContact CD1-CG 4.33Å; F202-L206 HydrophobicContact CE1-CD1 3.59Å; F202-L206 HydrophobicContact CE1-CG 4.34Å; F202-L206 PolarHBondContact O-N 3.12Å; L206-L209 PolarHBondContact O-N 2.99Å; L206-I210 HydrophobicContact CB-CD1 4.45Å; L206-I210 WeakPolarHBondContact O-CB 3.27Å; L206-I210 VanDerWaalsContact O-CD1 3.25Å; L206-I210 WeakPolarHBondContact O-CD1 3.21Å; L206-I210 WeakPolarHBondContact O-CG1 3.24Å; L206-I210 PolarHBondContact O-N 3.5Å; L206-Y222 HydrophobicContact CD2-CD1 4.44Å; L206-Y222 HydrophobicContact CD2-CE1 4.38Å; L206-V280 HydrophobicContact CD1-CG1 4.4Å; L206-V283 HydrophobicContact CD1-CB 4.2Å; L206-V283 HydrophobicContact CD1-CG1 3.87Å; L206-I287 HydrophobicContact CB-CD1 3.73Å
207T98.2Very high97.6Very high45 Ų4565.3 Ų65.328%0.27637%0.367SS..Hα-helixtrans-61.3-48.3178.3-56.90000110.8K203 A204 L205 L209 C211 I287K203-T207 WeakPolarHBondContact O-CB 3.43Å; K203-T207 PolarHBondContact O-N 2.88Å; K203-T207 PolarHBondContact O-OG1 3.29Å; A204-T207 PolarHBondContact O-N 3.17Å; L205-T207 VanDerWaalsContact C-N 3.31Å; L205-T207 PolarHBondContact O-N 3.37Å; T207-L209 PolarHBondContact O-N 2.98Å; T207-C211 WeakPolarHBondContact O-CB 3.35Å; T207-C211 PolarHBondContact O-N 2.93Å; T207-C211 VanDerWaalsContact O-N 3.16Å; T207-C211 PolarHBondContact O-SG 2.84Å; T207-C211 VanDerWaalsContact O-SG 3.33Å; T207-I287 HydrophobicContact CG2-CG2 4.42Å; T207-I287 WeakPolarHBondContact OG1-CD1 3.37Å; T207-I287 WeakPolarHBondContact OG1-CG1 3.32Å
208H98.3Very high97.6Very high83 Ų8361.8 Ų61.838%0.38435%0.35SS..Hα-helixtrans-60.7-44.7178.6-79.4-65.7000112.1L164 A204 L205 C211 L212L164-H208 HydrophobicContact CD1-CB 3.71Å; L164-H208 HydrophobicContact CD2-CB 3.83Å; A204-H208 PolarHBondContact O-CD2 3.18Å; A204-H208 PolarHBondContact O-N 3.43Å; L205-H208 PolarHBondContact O-N 3.04Å; H208-C211 PolarHBondContact O-N 2.59Å; H208-L212 WeakPolarHBondContact O-CG 3.33Å; H208-L212 PolarHBondContact O-N 3.14Å
209L98.6Very high97.6Very high1 Ų161.1 Ų61.11%0.00534%0.342CS..Hα-helixtrans-66.1-42.4-178.5-69.6162000112.8F148 F150 L164 I171 V174 L205 L206 T207 C211 L212 V219 Y222F148-L209 HydrophobicContact CD1-CD1 4.17Å; F148-L209 HydrophobicContact CD1-CD2 4.29Å; F148-L209 HydrophobicContact CE1-CD1 4.5Å; F150-L209 HydrophobicContact CE1-CD1 3.48Å; F150-L209 VanDerWaalsContact CE1-CD1 3.48Å; F150-L209 HydrophobicContact CZ-CD1 4.02Å; L164-L209 HydrophobicContact CD1-CD1 4.47Å; L164-L209 HydrophobicContact CD1-CD2 4.17Å; L164-L209 HydrophobicContact CD1-CG 3.93Å; L164-L209 HydrophobicContact CG-CD2 4.42Å; I171-L209 HydrophobicContact CD1-CD2 4.03Å; I171-L209 HydrophobicContact CG2-CD2 3.97Å; V174-L209 HydrophobicContact CG1-CD1 3.9Å; V174-L209 HydrophobicContact CG2-CD1 3.81Å; V174-L209 HydrophobicContact CG2-CD2 3.77Å; V174-L209 HydrophobicContact CG2-CG 4.25Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 WeakPolarHBondContact O-CD1 3.38Å; L205-L209 VanDerWaalsContact O-CG 3.23Å; L205-L209 WeakPolarHBondContact O-CG 3.44Å; L205-L209 PolarHBondContact O-N 3.18Å; L206-L209 PolarHBondContact O-N 2.99Å; T207-L209 PolarHBondContact O-N 2.98Å; L209-C211 PolarHBondContact O-N 3.06Å; L209-L212 HydrophobicContact CD2-CD1 4.08Å; L209-L212 WeakPolarHBondContact O-CB 3.3Å; L209-L212 PolarHBondContact O-N 3.3Å; L209-L212 VanDerWaalsContact O-N 3.15Å; L209-V219 HydrophobicContact CB-CG2 4.45Å; L209-V219 HydrophobicContact CD2-CG2 4.34Å; L209-Y222 HydrophobicContact CB-CE1 4.09Å; L209-Y222 PolarHBondContact O-OH 3.03Å
210I97.3Very high97.6Very high72 Ų7262 Ų6237%0.36935%0.35SS..Hα-helixtrans-66.5-29.8177.9-67.7161.4000111.4L206 L212 Y222 L284 I287L206-I210 HydrophobicContact CB-CD1 4.45Å; L206-I210 WeakPolarHBondContact O-CB 3.27Å; L206-I210 VanDerWaalsContact O-CD1 3.25Å; L206-I210 WeakPolarHBondContact O-CD1 3.21Å; L206-I210 WeakPolarHBondContact O-CG1 3.24Å; L206-I210 PolarHBondContact O-N 3.5Å; I210-L212 VanDerWaalsContact C-N 3.3Å; I210-Y222 PolarHBondContact N-OH 3.5Å; I210-L284 HydrophobicContact CD1-CD2 3.28Å; I210-L284 HydrophobicContact CG1-CD2 4.49Å; I210-I287 HydrophobicContact CD1-CD1 4.3Å
211C96.7Very high97.6Very high93 Ų9361.9 Ų61.963%0.62835%0.351SS*.THydrogen-bonded Turntrans-84.93.1176.7-69.10000113.8T207 H208 L209T207-C211 WeakPolarHBondContact O-CB 3.35Å; T207-C211 PolarHBondContact O-N 2.93Å; T207-C211 VanDerWaalsContact O-N 3.16Å; T207-C211 PolarHBondContact O-SG 2.84Å; T207-C211 VanDerWaalsContact O-SG 3.33Å; H208-C211 PolarHBondContact O-N 2.59Å; L209-C211 PolarHBondContact O-N 3.06Å
212L98.3Very high97.6Very high27 Ų2763.3 Ų63.314%0.14135%0.351CS..  trans-76.7133.9171.7-61.4-178000110.4A168 I171 H208 L209 I210 Q218 V219A168-L212 HydrophobicContact CB-CD2 3.95Å; I171-L212 HydrophobicContact CB-CD1 4.14Å; I171-L212 HydrophobicContact CD1-CD1 4.33Å; H208-L212 WeakPolarHBondContact O-CG 3.33Å; H208-L212 PolarHBondContact O-N 3.14Å; L209-L212 HydrophobicContact CD2-CD1 4.08Å; L209-L212 WeakPolarHBondContact O-CB 3.3Å; L209-L212 PolarHBondContact O-N 3.3Å; L209-L212 VanDerWaalsContact O-N 3.15Å; I210-L212 VanDerWaalsContact C-N 3.3Å; L212-Q218 HydrophobicContact CB-CB 3.89Å; L212-Q218 WeakPolarHBondContact O-CB 3.31Å; L212-Q218 PolarHBondContact O-N 2.92Å; L212-V219 HydrophobicContact CB-CG2 4.47Å; L212-V219 HydrophobicContact CD1-CG2 4.12Å
213G97.4Very high97.6Very high32 Ų3263 Ų6333%0.3335%0.352SS..  trans95.4122.8-174.700000111.9E216G213-E216 CarbonylContact C-O 3.54Å; G213-E216 VanDerWaalsContact CA-O 3.31Å; G213-E216 WeakPolarHBondContact CA-O 3.24Å
214D93.6Very high97.5Very high168 Ų16862.2 Ų62.290%0.89835%0.351SS*.SBendtrans-77.7-48.3-174.3-69.1-32.5000112.1
215D94.9Very high97.4Very high173 Ų17362.3 Ų62.393%0.92534%0.344SS*.SBendtrans-103.2-31.1-175.6-67.9-46.2000113.1
216E96.3Very high97.2Very high150 Ų15063.7 Ų63.770%0.70135%0.351SS*.SBendtrans-137.8151.8179.264.4-174.4176.900110.9G213 Q218G213-E216 CarbonylContact C-O 3.54Å; G213-E216 VanDerWaalsContact CA-O 3.31Å; G213-E216 WeakPolarHBondContact CA-O 3.24Å; E216-Q218 PolarHBondContact O-N 3Å; E216-Q218 VanDerWaalsContact O-N 3.17Å
217P97.1Very high96.9Very high102 Ų10265.4 Ų65.466%0.66236%0.359SS*.  trans-59.7120.2179.2-22.533.4000111.5
218Q98.4Very high96.7Very high56 Ų5664.1 Ų64.126%0.26235%0.351SS..SBendtrans-73.4-39.7177.6-169-173.5-73.800111.6A168 I171 L212 E216 T220A168-Q218 PolarHBondContact O-NE2 3.27Å; I171-Q218 WeakPolarHBondContact O-CG 3.45Å; I171-Q218 PolarHBondContact O-NE2 3Å; L212-Q218 HydrophobicContact CB-CB 3.89Å; L212-Q218 WeakPolarHBondContact O-CB 3.31Å; L212-Q218 PolarHBondContact O-N 2.92Å; E216-Q218 PolarHBondContact O-N 3Å; E216-Q218 VanDerWaalsContact O-N 3.17Å; Q218-T220 PolarHBondContact O-N 2.81Å
219V98.5Very high96.5Very high8 Ų863 Ų635%0.04835%0.348CS..  trans-83.6113.2175.2-174.80000109.4I171 T172 V174 L209 L212 Y222I171-V219 HydrophobicContact CG2-CG2 4.07Å; T172-V219 CarbonylContact O-C 3.54Å; T172-V219 WeakPolarHBondContact O-CA 3.45Å; V174-V219 HydrophobicContact CB-CG1 4.43Å; V174-V219 HydrophobicContact CG2-CG1 3.62Å; V174-V219 HydrophobicContact CG2-CG2 4.4Å; L209-V219 HydrophobicContact CB-CG2 4.45Å; L209-V219 HydrophobicContact CD2-CG2 4.34Å; L212-V219 HydrophobicContact CB-CG2 4.47Å; L212-V219 HydrophobicContact CD1-CG2 4.12Å; V219-Y222 HydrophobicContact CB-CE2 3.96Å; V219-Y222 WeakPolarHBondContact CB-OH 3.36Å; V219-Y222 HydrophobicContact CG1-CD1 4.33Å; V219-Y222 HydrophobicContact CG1-CD2 4.02Å; V219-Y222 HydrophobicContact CG1-CE1 3.85Å; V219-Y222 HydrophobicContact CG1-CE2 3.47Å; V219-Y222 VanDerWaalsContact CG1-CE2 3.47Å; V219-Y222 HydrophobicContact CG1-CG 4.42Å
220T97Very high96.3Very high105 Ų10563.5 Ų63.564%0.64435%0.35SS*.  trans-96.5-24.7-173.658.60000113.1T172 Q218T172-T220 PolarHBondContact O-N 3.24Å; T172-T220 PolarHBondContact O-OG1 2.8Å; Q218-T220 PolarHBondContact O-N 2.81Å
221A98.1Very high96.2Very high9 Ų965.5 Ų65.57%0.07435%0.353CS..EExtended strand (participates in β ladder)trans-140132.2-179.700000113.1Q173 V174Q173-A221 WeakPolarHBondContact CA-O 3.39Å; Q173-A221 HydrophobicContact CG-CB 4.16Å; V174-A221 PolarHBondContact N-O 2.78Å
222Y98.4Very high96.2Very high78 Ų7861.1 Ų61.131%0.30632%0.323SS..EExtended strand (participates in β ladder)trans-116.4107.5174.5-65.5-98.4000109V174 I176 L206 L209 I210 V219V174-Y222 HydrophobicContact CB-CD1 3.74Å; V174-Y222 HydrophobicContact CB-CE1 4.18Å; V174-Y222 HydrophobicContact CB-CG 4.44Å; V174-Y222 HydrophobicContact CG1-CD1 3.97Å; V174-Y222 HydrophobicContact CG1-CE1 4.43Å; V174-Y222 HydrophobicContact CG2-CD1 4.06Å; V174-Y222 HydrophobicContact CG2-CE1 3.97Å; I176-Y222 HydrophobicContact CD1-CD1 3.94Å; I176-Y222 HydrophobicContact CD1-CG 4.42Å; I176-Y222 HydrophobicContact CG1-CD1 4.44Å; L206-Y222 HydrophobicContact CD2-CD1 4.44Å; L206-Y222 HydrophobicContact CD2-CE1 4.38Å; L209-Y222 HydrophobicContact CB-CE1 4.09Å; L209-Y222 PolarHBondContact O-OH 3.03Å; I210-Y222 PolarHBondContact N-OH 3.5Å; V219-Y222 HydrophobicContact CB-CE2 3.96Å; V219-Y222 WeakPolarHBondContact CB-OH 3.36Å; V219-Y222 HydrophobicContact CG1-CD1 4.33Å; V219-Y222 HydrophobicContact CG1-CD2 4.02Å; V219-Y222 HydrophobicContact CG1-CE1 3.85Å; V219-Y222 HydrophobicContact CG1-CE2 3.47Å; V219-Y222 VanDerWaalsContact CG1-CE2 3.47Å; V219-Y222 HydrophobicContact CG1-CG 4.42Å
223G98Very high96.1Very high8 Ų862 Ų628%0.08233%0.331CS..EExtended strand (participates in β ladder)trans-77138.4170.600000111.2V174 I176V174-G223 PolarHBondContact O-N 3.45Å; I176-G223 WeakPolarHBondContact CB-O 3.13Å; I176-G223 PolarHBondContact N-O 3.04Å
224L97.9Very high96Very high56 Ų5660.9 Ų60.929%0.29332%0.318SS..EExtended strand (participates in β ladder)trans-105.4103.7176.7-59.3-174.8000107.6L20 I176 Q276 I277 V280L20-L224 HydrophobicContact CD2-CD1 4.32Å; I176-L224 HydrophobicContact CB-CD2 4.18Å; I176-L224 HydrophobicContact CD1-CD2 3.77Å; I176-L224 HydrophobicContact CG1-CD2 4.47Å; L224-Q276 HydrophobicContact CB-CG 4.48Å; L224-Q276 VanDerWaalsContact CB-OE1 3.28Å; L224-Q276 PolarHBondContact O-OE1 3.35Å; L224-I277 HydrophobicContact CD1-CB 4.28Å; L224-I277 HydrophobicContact CD1-CG1 3.46Å; L224-I277 VanDerWaalsContact CD1-CG1 3.46Å; L224-V280 HydrophobicContact CD2-CB 4.42Å; L224-V280 HydrophobicContact CD2-CG1 4.35Å; L224-V280 HydrophobicContact CD2-CG2 3.92Å
225E94.4Very high96.1Very high41 Ų4154 Ų5419%0.19228%0.281CS..  trans-11598.5-172.9-153.3-177.9-160.100109.7H175 I176 K177 E227 Q276H175-E225 IonicContact CG-OE2 3.2Å; H175-E225 IonicContact ND1-OE2 3.97Å; I176-E225 PolarHBondContact O-N 3.18Å; K177-E225 VanDerWaalsContact CB-O 3.23Å; K177-E225 WeakPolarHBondContact CB-O 3.47Å; K177-E225 WeakPolarHBondContact CE-OE2 3.39Å; K177-E225 IonicContact NZ-OE2 2.78Å; K177-E225 PolarHBondContact NZ-OE2 2.91Å; E225-E227 HydrophobicContact CG-CG 3.68Å; E225-Q276 VanDerWaalsContact N-OE1 3.16Å; E225-Q276 PolarHBondContact O-NE2 3.05Å
226E95Very high96.2Very high29 Ų2946 Ų4614%0.13624%0.238CC..  trans-101.282.6-176.3-163.667.3-122.400110.3C193 I194 S195 V228 D272 Q276C193-E226 VanDerWaalsContact O-OE1 3.04Å; I194-E226 WeakPolarHBondContact CA-OE1 3.32Å; S195-E226 WeakPolarHBondContact CB-OE2 3.42Å; S195-E226 PolarHBondContact N-OE1 3.38Å; S195-E226 PolarHBondContact OG-OE2 2.95Å; E226-V228 HydrophobicContact CG-CG2 4.06Å; E226-V228 PolarHBondContact O-N 2.68Å; E226-D272 HydrophobicContact CG-CB 3.88Å; E226-Q276 HydrophobicContact CB-CB 4.29Å; E226-Q276 HydrophobicContact CG-CB 4.3Å; E226-Q276 WeakPolarHBondContact OE2-CB 3.47Å; E226-Q276 WeakPolarHBondContact OE2-CG 3.37Å; E226-Q276 PolarHBondContact OE2-NE2 2.89Å
227E92.5Very high96.2Very high38 Ų3842.3 Ų42.318%0.17822%0.219CC..  trans-96.745.3-170.7-51.4-172.3112.600113.6K177 A192 E225 D229 Y230K177-E227 WeakPolarHBondContact CE-OE2 3.28Å; K177-E227 IonicContact NZ-OE2 3.9Å; K177-E227 PolarHBondContact NZ-OE2 2.9Å; A192-E227 HydrophobicContact CB-CB 4.14Å; A192-E227 WeakPolarHBondContact CB-O 3.18Å; E225-E227 HydrophobicContact CG-CG 3.68Å; E227-D229 PolarHBondContact O-N 2.96Å; E227-Y230 VanDerWaalsContact O-CB 3.25Å; E227-Y230 WeakPolarHBondContact O-CB 3.5Å; E227-Y230 PolarHBondContact O-N 3.27Å
228V94.3Very high96.2Very high18 Ų1845 Ų4511%0.10922%0.223CC..THydrogen-bonded Turntrans-49.7128-173.1-174.90000112.2I194 E226 T254 R265 D272I194-V228 HydrophobicContact CG1-CG1 4.33Å; I194-V228 HydrophobicContact CG1-CG2 3.89Å; E226-V228 HydrophobicContact CG-CG2 4.06Å; E226-V228 PolarHBondContact O-N 2.68Å; V228-T254 WeakPolarHBondContact O-CG2 3.44Å; V228-R265 PolarHBondContact O-NH2 2.8Å; V228-D272 HydrophobicContact CG2-CB 4.19Å
229D93.6Very high95.9Very high60 Ų6049.1 Ų49.132%0.32125%0.247SC..THydrogen-bonded Turntrans77.71.1-175.8-56.2-55.1000116.8K191 A192 E227 Y231 T254 R265K191-D229 WeakPolarHBondContact CE-OD1 3.07Å; K191-D229 IonicContact NZ-OD1 2.64Å; K191-D229 PolarHBondContact NZ-OD1 2.88Å; K191-D229 VanDerWaalsContact NZ-OD1 3.1Å; A192-D229 PolarHBondContact O-N 3.12Å; E227-D229 PolarHBondContact O-N 2.96Å; D229-Y231 PolarHBondContact O-N 2.69Å; D229-T254 HydrophobicContact CB-CG2 4.34Å; D229-R265 IonicContact OD2-CZ 2.72Å; D229-R265 IonicContact OD2-NH1 2.74Å; D229-R265 PolarHBondContact OD2-NH1 3.09Å
230Y95.1Very high95.7Very high11 Ų1151 Ų514%0.04326%0.255CS..  trans-62.7134.8167.5177.9-109.4000109.5E125 H190 K191 A192 E227 A232 R249 S252E125-Y230 PolarHBondContact OE1-OH 3Å; H190-Y230 AromaticContact NE2-CD1 3.63Å; H190-Y230 AromaticContact NE2-CE1 3.77Å; K191-Y230 CarbonylContact C-O 3.55Å; K191-Y230 WeakPolarHBondContact CA-O 3.4Å; A192-Y230 PolarHBondContact N-O 2.91Å; E227-Y230 VanDerWaalsContact O-CB 3.25Å; E227-Y230 WeakPolarHBondContact O-CB 3.5Å; E227-Y230 PolarHBondContact O-N 3.27Å; Y230-A232 HydrophobicContact CE1-CB 3.81Å; Y230-R249 PolarHBondContact OH-NH2 3.09Å; Y230-S252 WeakPolarHBondContact OH-CB 3.3Å; Y230-S252 PolarHBondContact OH-OG 3.25Å
231Y95.8Very high95.6Very high114 Ų11451 Ų5145%0.44725%0.252SS..EExtended strand (participates in β ladder)trans-126.8131.8177.4164-103.8000108.6E184 H190 D229 P233E184-Y231 PolarHBondContact OE1-OH 2.96Å; H190-Y231 WeakPolarHBondContact O-CA 3.37Å; H190-Y231 VanDerWaalsContact O-CD2 3.29Å; H190-Y231 WeakPolarHBondContact O-CD2 3.3Å; D229-Y231 PolarHBondContact O-N 2.69Å; Y231-P233 HydrophobicContact CE1-CB 4.33Å
232A95.5Very high95.4Very high0 Ų057.7 Ų57.70%029%0.286CS..EExtended strand (participates in β ladder)trans-125.1130.6173.400000109.5E125 N155 G189 H190 Y230E125-A232 VanDerWaalsContact OE2-CB 3.23Å; E125-A232 WeakPolarHBondContact OE2-CB 3.44Å; N155-A232 WeakPolarHBondContact ND2-CB 3.4Å; N155-A232 PolarHBondContact ND2-O 3.28Å; G189-A232 CarbonylContact C-O 3.58Å; G189-A232 WeakPolarHBondContact CA-O 3.29Å; H190-A232 PolarHBondContact N-O 3.49Å; H190-A232 PolarHBondContact O-N 3.09Å; Y230-A232 HydrophobicContact CE1-CB 3.81Å
233P95.9Very high95.4Very high45 Ų4556 Ų5629%0.29228%0.282SS..  trans-79.2172178.235.1-37.4000112N155 Y231 F235N155-P233 PolarHBondContact ND2-O 3.48Å; Y231-P233 HydrophobicContact CE1-CB 4.33Å; P233-F235 HydrophobicContact CG-CE1 4.28Å; P233-F235 HydrophobicContact CG-CE2 3.84Å; P233-F235 HydrophobicContact CG-CZ 3.62Å; P233-F235 VanDerWaalsContact O-CD2 3.27Å; P233-F235 WeakPolarHBondContact O-CD2 3.35Å; P233-F235 WeakPolarHBondContact O-CE2 3.48Å; P233-F235 PolarHBondContact O-N 2.93Å
234A96.3Very high95.4Very high9 Ų956.2 Ų56.27%0.07428%0.282CS..  trans-63132.8169.400000111.2E184 L188 F237E184-A234 HydrophobicContact CB-CB 4.33Å; E184-A234 PolarHBondContact OE2-N 3.26Å; L188-A234 VanDerWaalsContact O-CA 3.31Å; L188-A234 WeakPolarHBondContact O-CA 3.38Å; L188-A234 WeakPolarHBondContact O-CB 3.25Å; A234-F237 HydrophobicContact CB-CD1 4.41Å; A234-F237 HydrophobicContact CB-CE1 3.7Å; A234-F237 HydrophobicContact CB-CZ 4.07Å; A234-F237 WeakPolarHBondContact O-CZ 3.21Å
235F95.5Very high95.3Very high25 Ų2560.4 Ų60.411%0.1129%0.294CS..  trans-111.6-23.1175-73.8-71.6000113E125 D126 N155 P233 P247 R249E125-F235 HydrophobicContact CB-CD2 3.89Å; E125-F235 HydrophobicContact CB-CE2 4.38Å; E125-F235 WeakPolarHBondContact OE2-CE2 3.21Å; D126-F235 HydrophobicContact CB-CB 4.36Å; N155-F235 HydrophobicContact CB-CD2 3.93Å; N155-F235 PolarHBondContact O-N 3.08Å; P233-F235 HydrophobicContact CG-CE1 4.28Å; P233-F235 HydrophobicContact CG-CE2 3.84Å; P233-F235 HydrophobicContact CG-CZ 3.62Å; P233-F235 VanDerWaalsContact O-CD2 3.27Å; P233-F235 WeakPolarHBondContact O-CD2 3.35Å; P233-F235 WeakPolarHBondContact O-CE2 3.48Å; P233-F235 PolarHBondContact O-N 2.93Å; F235-P247 HydrophobicContact CD1-CG 3.65Å; F235-P247 HydrophobicContact CE1-CG 4.09Å; F235-R249 HydrophobicContact CD1-CG 4.42Å; F235-R249 HydrophobicContact CE1-CG 3.76Å; F235-R249 VanDerWaalsContact CZ-CD 3.45Å; F235-R249 HydrophobicContact CZ-CG 3.99Å
236R96.9Very high95.4Very high4 Ų458.5 Ų58.52%0.01529%0.285CS..SBendtrans-123.7155.3175-56.7-63.7-70.5-87.6-3.8109.5D126 E131 N155 A156 N157 E240D126-R236 WeakPolarHBondContact O-CD 3.47Å; D126-R236 VanDerWaalsContact O-CG 3.32Å; D126-R236 WeakPolarHBondContact O-CG 3.5Å; D126-R236 PolarHBondContact O-NH1 2.94Å; E131-R236 IonicContact OE1-CZ 2.96Å; E131-R236 IonicContact OE1-NH1 3.96Å; E131-R236 PolarHBondContact OE1-NH1 2.95Å; E131-R236 VanDerWaalsContact OE1-NH1 3.08Å; E131-R236 IonicContact OE1-NH2 3.26Å; E131-R236 PolarHBondContact OE1-NH2 2.82Å; E131-R236 IonicContact OE2-CZ 3.93Å; E131-R236 IonicContact OE2-NH1 3.84Å; E131-R236 PolarHBondContact OE2-NH1 2.86Å; E131-R236 IonicContact OE2-NH2 3.8Å; N155-R236 PolarHBondContact O-N 3.46Å; N155-R236 VanDerWaalsContact O-N 3.08Å; A156-R236 HydrophobicContact CB-CG 4.43Å; A156-R236 WeakPolarHBondContact O-CB 3.18Å; N157-R236 HydrophobicContact CB-CB 4.31Å; N157-R236 WeakPolarHBondContact CB-O 3.36Å; R236-E240 WeakPolarHBondContact CA-OE2 3.21Å; R236-E240 IonicContact CZ-OE1 3.85Å; R236-E240 VanDerWaalsContact CZ-OE1 3.26Å; R236-E240 IonicContact CZ-OE2 2.76Å; R236-E240 VanDerWaalsContact NE-CD 3.32Å; R236-E240 IonicContact NE-OE1 2.84Å; R236-E240 PolarHBondContact NE-OE1 2.9Å; R236-E240 IonicContact NE-OE2 2.95Å; R236-E240 PolarHBondContact NE-OE2 2.86Å; R236-E240 IonicContact NH2-OE1 3.97Å; R236-E240 PolarHBondContact NH2-OE1 3.39Å
237F96.9Very high95.3Very high73 Ų7359.1 Ų59.132%0.3229%0.292SS..  trans-133.8160.6-167.9-57.6-85.6000112.2Q185 G186 A234 D239 E240Q185-F237 WeakPolarHBondContact O-CD1 3.33Å; G186-F237 CarbonylContact O-C 3.6Å; G186-F237 WeakPolarHBondContact O-CA 3.19Å; G186-F237 WeakPolarHBondContact O-CB 3.26Å; A234-F237 HydrophobicContact CB-CD1 4.41Å; A234-F237 HydrophobicContact CB-CE1 3.7Å; A234-F237 HydrophobicContact CB-CZ 4.07Å; A234-F237 WeakPolarHBondContact O-CZ 3.21Å; F237-D239 VanDerWaalsContact C-N 3.35Å; F237-E240 PolarHBondContact N-OE2 2.93Å; F237-E240 WeakPolarHBondContact O-CG 3.45Å
238E95.1Very high95.2Very high158 Ų15862.6 Ų62.674%0.73830%0.304SS*.THydrogen-bonded Turntrans-69.3-31.8-179.1-67.8179.9175.100112.3N157 G186N157-E238 VanDerWaalsContact ND2-CG 3.28Å; N157-E238 WeakPolarHBondContact ND2-CG 3.34Å; N157-E238 PolarHBondContact ND2-N 3.42Å; G186-E238 PolarHBondContact O-N 3.2Å
239D93.3Very high94.7Very high143 Ų14362.5 Ų62.577%0.76530%0.302SS*.THydrogen-bonded Turntrans-104.415.6-174.365.6-30.7000113.8F237F237-D239 VanDerWaalsContact C-N 3.35Å
240E94.8Very high94.5Very high46 Ų4666.1 Ų66.122%0.21532%0.317CS..  trans-71.815317776.9-176.3-164.400112.6K128 R236 F237 P244K128-E240 WeakPolarHBondContact CE-OE1 3.29Å; K128-E240 IonicContact NZ-OE1 3.26Å; K128-E240 PolarHBondContact NZ-OE1 3.43Å; R236-E240 WeakPolarHBondContact CA-OE2 3.21Å; R236-E240 IonicContact CZ-OE1 3.85Å; R236-E240 VanDerWaalsContact CZ-OE1 3.26Å; R236-E240 IonicContact CZ-OE2 2.76Å; R236-E240 VanDerWaalsContact NE-CD 3.32Å; R236-E240 IonicContact NE-OE1 2.84Å; R236-E240 PolarHBondContact NE-OE1 2.9Å; R236-E240 IonicContact NE-OE2 2.95Å; R236-E240 PolarHBondContact NE-OE2 2.86Å; R236-E240 IonicContact NH2-OE1 3.97Å; R236-E240 PolarHBondContact NH2-OE1 3.39Å; F237-E240 PolarHBondContact N-OE2 2.93Å; F237-E240 WeakPolarHBondContact O-CG 3.45Å; E240-P244 HydrophobicContact CB-CB 4.08Å; E240-P244 HydrophobicContact CG-CB 4.46Å; E240-P244 HydrophobicContact CG-CG 4.41Å
241D94.6Very high94Very high107 Ų10768.6 Ų68.657%0.57233%0.329SS*.  trans-82.3-176.9172.165.845.1000112.1N243 P244D241-N243 PolarHBondContact O-N 3.48Å; D241-N243 WeakPolarHBondContact OD1-CA 3.48Å; D241-N243 PolarHBondContact OD1-N 3.43Å; D241-P244 WeakPolarHBondContact O-CD 3.42Å
242D94Very high93.5Very high149 Ų14964.6 Ų64.680%0.79732%0.318SS*.SBendtrans-73.6-3.2-178.9-63.9-25.1000114.1
243N97.5Very high93.1Very high42 Ų4271 Ų7123%0.22535%0.348CS..SBendtrans-144.156.6-178.2-172.245.5000111.5N93 L94 R95 D241N93-N243 WeakPolarHBondContact CB-ND2 3.31Å; L94-N243 PolarHBondContact N-OD1 2.81Å; R95-N243 VanDerWaalsContact CB-OD1 3.26Å; R95-N243 WeakPolarHBondContact CB-OD1 3.34Å; R95-N243 HydrophobicContact CG-CB 4.5Å; R95-N243 WeakPolarHBondContact CG-OD1 3.43Å; R95-N243 PolarHBondContact N-OD1 2.89Å; D241-N243 PolarHBondContact O-N 3.48Å; D241-N243 WeakPolarHBondContact OD1-CA 3.48Å; D241-N243 PolarHBondContact OD1-N 3.43Å
244P97.6Very high92.6Very high13 Ų1369.9 Ų69.98%0.08434%0.34CS..PPolyproline II helixtrans-67.2162.5-174.231.2-35.9000111.5N93 L94 E240 D241 I246N93-P244 CarbonylContact C-O 3.6Å; N93-P244 WeakPolarHBondContact CA-O 3.43Å; L94-P244 HydrophobicContact CB-CG 4.22Å; L94-P244 HydrophobicContact CD2-CG 4.31Å; L94-P244 PolarHBondContact N-O 3Å; E240-P244 HydrophobicContact CB-CB 4.08Å; E240-P244 HydrophobicContact CG-CB 4.46Å; E240-P244 HydrophobicContact CG-CG 4.41Å; D241-P244 WeakPolarHBondContact O-CD 3.42Å; P244-I246 HydrophobicContact CG-CD1 4.42Å; P244-I246 PolarHBondContact O-N 2.99Å
245W96.8Very high92.1Very high144 Ų14473.6 Ų73.655%0.54536%0.364SS..EExtended strand (participates in β ladder)trans-75.5122.1169.9-175.4-91.9000110.4E91E91-W245 HydrophobicContact CG-CH2 4.3Å; E91-W245 HydrophobicContact CG-CZ2 3.41Å; E91-W245 VanDerWaalsContact CG-CZ2 3.41Å
246I96.5Very high91.8Very high0 Ų076 Ų760%038%0.377CS..EExtended strand (participates in β ladder)trans-92.2117.2171.7-53.6-54.9000108.1E91 G92 L94 V97 D126 P244E91-I246 WeakPolarHBondContact CA-O 3.46Å; E91-I246 WeakPolarHBondContact CG-O 3.48Å; G92-I246 PolarHBondContact N-O 2.97Å; G92-I246 PolarHBondContact O-N 3.21Å; L94-I246 HydrophobicContact CB-CD1 4.44Å; L94-I246 HydrophobicContact CB-CG1 4.24Å; L94-I246 HydrophobicContact CD1-CD1 4.16Å; L94-I246 HydrophobicContact CD1-CG1 4.21Å; V97-I246 HydrophobicContact CG2-CB 4.13Å; V97-I246 HydrophobicContact CG2-CG1 4.34Å; D126-I246 HydrophobicContact CB-CG2 3.95Å; P244-I246 HydrophobicContact CG-CD1 4.42Å; P244-I246 PolarHBondContact O-N 2.99Å
247P92.8Very high91.5Very high42 Ų4277.6 Ų77.627%0.27339%0.389SS..PPolyproline II helixtrans-76.6151.8-178.232-35.4000112F235F235-P247 HydrophobicContact CD1-CG 3.65Å; F235-P247 HydrophobicContact CE1-CG 4.09Å
248Y90Very high91.3Very high111 Ų11180.7 Ų80.744%0.43540%0.404SS..PPolyproline II helixtrans-60.9140.3170.8-178.1-101.3000111.9R89 E91 Q250R89-Y248 PolarHBondContact NH1-OH 2.78Å; E91-Y248 PolarHBondContact OE1-N 2.81Å; Y248-Q250 HydrophobicContact CE1-CG 4.28Å
249R85.2Confident91.1Very high17 Ų1780.1 Ų80.16%0.06441%0.406CS..  trans-120134173.1-67.1-167.666.2-152.52112.8R89 H124 E125 Y230 F235R89-R249 WeakPolarHBondContact CD-O 3.23Å; R89-R249 PolarHBondContact NH1-O 2.96Å; H124-R249 PolarHBondContact CE1-NH1 3.04Å; H124-R249 PolarHBondContact ND1-NH1 3.37Å; E125-R249 IonicContact OE1-CZ 3.08Å; E125-R249 VanDerWaalsContact OE1-CZ 3.3Å; E125-R249 IonicContact OE1-NH1 2.76Å; E125-R249 PolarHBondContact OE1-NH1 3.07Å; E125-R249 IonicContact OE1-NH2 3.37Å; E125-R249 PolarHBondContact OE1-NH2 3.03Å; E125-R249 IonicContact OE2-CZ 2.96Å; E125-R249 IonicContact OE2-NE 2.72Å; E125-R249 IonicContact OE2-NH1 3.57Å; E125-R249 PolarHBondContact OE2-NH1 3.4Å; E125-R249 IonicContact OE2-NH2 2.68Å; E125-R249 PolarHBondContact OE2-NH2 2.92Å; Y230-R249 PolarHBondContact OH-NH2 3.09Å; F235-R249 HydrophobicContact CD1-CG 4.42Å; F235-R249 HydrophobicContact CE1-CG 3.76Å; F235-R249 VanDerWaalsContact CZ-CD 3.45Å; F235-R249 HydrophobicContact CZ-CG 3.99Å
250Q87.5Confident91.2Very high136 Ų13680 Ų8064%0.63640%0.4SS*.PPolyproline II helixtrans-69.1163.2161.5-64.3-65-16.800109.7Y248Y248-Q250 HydrophobicContact CE1-CG 4.28Å
251M85.4Confident91.2Very high62 Ų6281.8 Ų81.831%0.30541%0.411SS..PPolyproline II helixtrans-57.9142.8170.2-173.417267.400109.7L28 E253L28-M251 HydrophobicContact CD1-SD 4.45Å; M251-E253 PolarHBondContact O-N 2.96Å
252S85.8Confident91.1Very high31 Ų3177.7 Ų77.722%0.21739%0.389CS..PPolyproline II helixtrans-64.5127.3178.9-62.70000110H124 Y230H124-S252 PolarHBondContact CE1-OG 3.07Å; H124-S252 PolarHBondContact NE2-OG 3.46Å; Y230-S252 WeakPolarHBondContact OH-CB 3.3Å; Y230-S252 PolarHBondContact OH-OG 3.25Å
253E85.9Confident91Very high134 Ų13475.2 Ų75.263%0.62638%0.376SS*.  trans-137.5135177.5-70.5-171.5-173.600110.9M251M251-E253 PolarHBondContact O-N 2.96Å
254T86.4Confident90.9Very high21 Ų2175.6 Ų75.613%0.12939%0.385CS..PPolyproline II helixtrans-81.9132.4168.3-30.10000109.8R2 V228 D229 R265R2-T254 PolarHBondContact NH1-O 3.23Å; R2-T254 PolarHBondContact NH2-O 2.91Å; V228-T254 WeakPolarHBondContact O-CG2 3.44Å; D229-T254 HydrophobicContact CB-CG2 4.34Å; T254-R265 VanDerWaalsContact CG2-NH2 3.3Å
255P86.1Confident90.7Very high88 Ų8876.8 Ų76.857%0.57139%0.388SS*.PPolyproline II helixtrans-61.9141.3179.924.4-33.9000112.4
256L89.2Confident90.5Very high74 Ų7470.9 Ų70.939%0.38737%0.367SS..PPolyproline II helixtrans-82.1142.8168.9-71.8175.3000110.3R2 L3 L262R2-L256 VanDerWaalsContact NH2-CG 3.32Å; L3-L256 HydrophobicContact CD1-CD1 4.15Å; L3-L256 HydrophobicContact CD2-CD1 4.49Å; L3-L256 HydrophobicContact CG-CD1 4.5Å; L256-L262 HydrophobicContact CD1-CD1 4.47Å; L256-L262 HydrophobicContact CD2-CD1 3.77Å
257P90.4Very high90.3Very high39 Ų3978 Ų7825%0.25339%0.393SS..  trans-73176.3170.136.5-39.2000110.5L261 R265P257-L261 HydrophobicContact CB-CB 3.99Å; P257-L261 HydrophobicContact CB-CD1 4.39Å; P257-L261 HydrophobicContact CG-CB 4.12Å; P257-R265 HydrophobicContact CG-CB 3.68Å; P257-R265 HydrophobicContact CG-CG 3.92Å
258E92.1Very high90.4Very high137 Ų13779.9 Ų79.964%0.6440%0.397SS*.  trans-54.2147.6170.5-63.8-176.4-16200112.1H260 L261 L262E258-H260 PolarHBondContact O-N 2.72Å; E258-H260 IonicContact OE2-CE1 2.67Å; E258-H260 PolarHBondContact OE2-CE1 3.06Å; E258-H260 IonicContact OE2-ND1 2.92Å; E258-H260 PolarHBondContact OE2-ND1 2.74Å; E258-L261 PolarHBondContact O-N 3.22Å; E258-L262 PolarHBondContact O-N 3.49Å
259N91.7Very high90.6Very high147 Ų14776.7 Ų76.779%0.78639%0.386SS*.G310 helixtrans-50.7-33.6-174.4-72.1-12.7000114.3L261 L262N259-L261 VanDerWaalsContact C-N 3.25Å; N259-L261 PolarHBondContact O-N 3.41Å; N259-L262 VanDerWaalsContact O-CB 3.29Å; N259-L262 WeakPolarHBondContact O-CB 3.39Å; N259-L262 PolarHBondContact O-N 3.26Å
260H94.5Very high90.9Very high139 Ų13981.3 Ų81.364%0.64441%0.407SS*.G310 helixtrans-73.2-14.7-17977.3-89.4000113.9E258E258-H260 PolarHBondContact O-N 2.72Å; E258-H260 IonicContact OE2-CE1 2.67Å; E258-H260 PolarHBondContact OE2-CE1 3.06Å; E258-H260 IonicContact OE2-ND1 2.92Å; E258-H260 PolarHBondContact OE2-ND1 2.74Å
261L94.5Very high91.3Very high84 Ų8480 Ų8044%0.4440%0.401SS..G310 helixtrans-103.5-7.2176.3-60.6176.5000112.7P257 E258 N259 D263 A264 R265P257-L261 HydrophobicContact CB-CB 3.99Å; P257-L261 HydrophobicContact CB-CD1 4.39Å; P257-L261 HydrophobicContact CG-CB 4.12Å; E258-L261 PolarHBondContact O-N 3.22Å; N259-L261 VanDerWaalsContact C-N 3.25Å; N259-L261 PolarHBondContact O-N 3.41Å; L261-D263 PolarHBondContact O-N 2.9Å; L261-A264 WeakPolarHBondContact O-CB 3.44Å; L261-A264 PolarHBondContact O-N 3.38Å; L261-R265 PolarHBondContact O-N 3.38Å
262L93Very high91.8Very high22 Ų2277.5 Ų77.512%0.11539%0.389CS..Hα-helixtrans-59.4-49.9-169.1-178.660.9000113.1L3 L256 E258 N259 A264 R265 L266L3-L262 HydrophobicContact CD1-CD1 3.64Å; L3-L262 HydrophobicContact CD1-CD2 3.35Å; L3-L262 HydrophobicContact CD1-CG 3.9Å; L256-L262 HydrophobicContact CD1-CD1 4.47Å; L256-L262 HydrophobicContact CD2-CD1 3.77Å; E258-L262 PolarHBondContact O-N 3.49Å; N259-L262 VanDerWaalsContact O-CB 3.29Å; N259-L262 WeakPolarHBondContact O-CB 3.39Å; N259-L262 PolarHBondContact O-N 3.26Å; L262-A264 PolarHBondContact O-N 3.31Å; L262-R265 WeakPolarHBondContact O-CB 3.48Å; L262-R265 PolarHBondContact O-N 3.09Å; L262-R265 VanDerWaalsContact O-N 3.14Å; L262-L266 HydrophobicContact CD1-CD1 4.01Å; L262-L266 HydrophobicContact CD1-CG 4.15Å; L262-L266 HydrophobicContact CG-CD1 3.99Å; L262-L266 HydrophobicContact CG-CG 4.49Å; L262-L266 WeakPolarHBondContact O-CG 3.28Å; L262-L266 PolarHBondContact O-N 3.08Å
263D93.1Very high92.3Very high96 Ų9677.9 Ų77.951%0.51339%0.394SS..Hα-helixtrans-64.4-31-179.4-73.5-29.2000112.3R5 L261 R267R5-D263 IonicContact NH2-OD1 3.85Å; R5-D263 PolarHBondContact NH2-OD1 3.03Å; L261-D263 PolarHBondContact O-N 2.9Å; D263-R267 PolarHBondContact O-N 3.08Å
264A94.2Very high92.8Very high50 Ų5073.7 Ų73.741%0.41338%0.375SS..Hα-helixtrans-71.1-42.417500000111L261 L262 R267 K268L261-A264 WeakPolarHBondContact O-CB 3.44Å; L261-A264 PolarHBondContact O-N 3.38Å; L262-A264 PolarHBondContact O-N 3.31Å; A264-R267 PolarHBondContact O-N 3.47Å; A264-K268 WeakPolarHBondContact O-CB 3.39Å; A264-K268 PolarHBondContact O-N 3.05Å
265R93.7Very high93.3Very high39 Ų3976.7 Ų76.715%0.14739%0.391CS..Hα-helixtrans-59.6-49.217517066.8-179.3-14412.4112.1V228 D229 T254 P257 L261 L262 R267 K268 E269V228-R265 PolarHBondContact O-NH2 2.8Å; D229-R265 IonicContact OD2-CZ 2.72Å; D229-R265 IonicContact OD2-NH1 2.74Å; D229-R265 PolarHBondContact OD2-NH1 3.09Å; T254-R265 VanDerWaalsContact CG2-NH2 3.3Å; P257-R265 HydrophobicContact CG-CB 3.68Å; P257-R265 HydrophobicContact CG-CG 3.92Å; L261-R265 PolarHBondContact O-N 3.38Å; L262-R265 WeakPolarHBondContact O-CB 3.48Å; L262-R265 PolarHBondContact O-N 3.09Å; L262-R265 VanDerWaalsContact O-N 3.14Å; R265-R267 VanDerWaalsContact C-N 3.32Å; R265-R267 PolarHBondContact O-N 2.66Å; R265-K268 WeakPolarHBondContact O-CB 3.45Å; R265-K268 PolarHBondContact O-N 3.14Å; R265-K268 VanDerWaalsContact O-N 3.11Å; R265-E269 IonicContact CZ-OE1 2.74Å; R265-E269 IonicContact NE-OE1 2.69Å; R265-E269 PolarHBondContact NE-OE1 2.76Å; R265-E269 IonicContact NH2-OE1 2.68Å; R265-E269 PolarHBondContact NH2-OE1 2.95Å; R265-E269 PolarHBondContact O-N 2.96Å
266L92.2Very high93.9Very high20 Ų2072.6 Ų72.611%0.10536%0.364CS..Hα-helixtrans-66.9-34.1-177.7-62.8172.9000112.3R2 L3 R5 L262 K270R2-L266 HydrophobicContact CB-CD2 4.26Å; L3-L266 HydrophobicContact CD1-CD1 4.23Å; R5-L266 HydrophobicContact CG-CD1 3.63Å; L262-L266 HydrophobicContact CD1-CD1 4.01Å; L262-L266 HydrophobicContact CD1-CG 4.15Å; L262-L266 HydrophobicContact CG-CD1 3.99Å; L262-L266 HydrophobicContact CG-CG 4.49Å; L262-L266 WeakPolarHBondContact O-CG 3.28Å; L262-L266 PolarHBondContact O-N 3.08Å; L266-K270 PolarHBondContact O-N 2.84Å
267R93Very high94.3Very high148 Ų14869.6 Ų69.656%0.55835%0.348SS*.Hα-helixtrans-63.6-44.3170.7-121.3-176.4-60.3110.73.5111.4D263 A264 R265 K270 E271D263-R267 PolarHBondContact O-N 3.08Å; A264-R267 PolarHBondContact O-N 3.47Å; R265-R267 VanDerWaalsContact C-N 3.32Å; R265-R267 PolarHBondContact O-N 2.66Å; R267-K270 PolarHBondContact O-N 2.76Å; R267-E271 WeakPolarHBondContact O-CG 3.47Å; R267-E271 PolarHBondContact O-N 2.9Å
268K94.4Very high94.7Very high82 Ų8271.1 Ų71.136%0.35735%0.354SS..Hα-helixtrans-62.4-42.6178.3-171.4-173.3-175-36.40111.7A264 R265 K270 E271 D272A264-K268 WeakPolarHBondContact O-CB 3.39Å; A264-K268 PolarHBondContact O-N 3.05Å; R265-K268 WeakPolarHBondContact O-CB 3.45Å; R265-K268 PolarHBondContact O-N 3.14Å; R265-K268 VanDerWaalsContact O-N 3.11Å; K268-K270 VanDerWaalsContact C-N 3.28Å; K268-K270 PolarHBondContact O-N 3.2Å; K268-E271 CarbonylContact O-C 3.51Å; K268-E271 WeakPolarHBondContact O-CB 3.43Å; K268-E271 PolarHBondContact O-N 3.45Å; K268-E271 VanDerWaalsContact O-N 3.08Å; K268-D272 IonicContact NZ-OD1 3.66Å; K268-D272 PolarHBondContact NZ-OD1 3.37Å; K268-D272 IonicContact NZ-OD2 3.3Å; K268-D272 PolarHBondContact NZ-OD2 3.18Å; K268-D272 WeakPolarHBondContact O-CB 3.36Å; K268-D272 PolarHBondContact O-N 2.89Å
269E93.6Very high95Very high44 Ų4467 Ų6721%0.20634%0.335CS..Hα-helixtrans-57-42175.5-73.5175.2-170.400111.7R2 R265 D272 A273R2-E269 IonicContact NH1-OE1 3.25Å; R265-E269 IonicContact CZ-OE1 2.74Å; R265-E269 IonicContact NE-OE1 2.69Å; R265-E269 PolarHBondContact NE-OE1 2.76Å; R265-E269 IonicContact NH2-OE1 2.68Å; R265-E269 PolarHBondContact NH2-OE1 2.95Å; R265-E269 PolarHBondContact O-N 2.96Å; E269-D272 PolarHBondContact O-N 3.47Å; E269-A273 WeakPolarHBondContact O-CB 3.44Å; E269-A273 PolarHBondContact O-N 2.7Å
270K92.7Very high95.3Very high115 Ų11560.5 Ų60.550%0.530%0.3SS..Hα-helixtrans-64-45.1173.8-174.8175.5-178.5173.60111.8L266 R267 K268 D272 A273 I274L266-K270 PolarHBondContact O-N 2.84Å; R267-K270 PolarHBondContact O-N 2.76Å; K268-K270 VanDerWaalsContact C-N 3.28Å; K268-K270 PolarHBondContact O-N 3.2Å; K270-D272 VanDerWaalsContact C-N 3.34Å; K270-A273 PolarHBondContact O-N 3.23Å; K270-I274 WeakPolarHBondContact O-CG1 3.27Å; K270-I274 PolarHBondContact O-N 3.37Å; K270-I274 VanDerWaalsContact O-N 3.11Å
271E95.2Very high95.5Very high108 Ų10858.4 Ų58.451%0.50529%0.287SS..Hα-helixtrans-60.9-43.1177.7-71.3168.4-16700111.6R267 K268 I274 N275R267-E271 WeakPolarHBondContact O-CG 3.47Å; R267-E271 PolarHBondContact O-N 2.9Å; K268-E271 CarbonylContact O-C 3.51Å; K268-E271 WeakPolarHBondContact O-CB 3.43Å; K268-E271 PolarHBondContact O-N 3.45Å; K268-E271 VanDerWaalsContact O-N 3.08Å; E271-I274 PolarHBondContact O-N 2.96Å; E271-N275 WeakPolarHBondContact O-CB 3.28Å; E271-N275 PolarHBondContact O-N 2.66Å; E271-N275 PolarHBondContact O-ND2 3.42Å; E271-N275 VanDerWaalsContact O-ND2 3.11Å
272D96.6Very high95.7Very high9 Ų959.1 Ų59.15%0.04829%0.291CS..Hα-helixtrans-63.1-46.1177.8-66.5-20.3000110.9E226 V228 K268 E269 K270 I274 N275 Q276E226-D272 HydrophobicContact CG-CB 3.88Å; V228-D272 HydrophobicContact CG2-CB 4.19Å; K268-D272 IonicContact NZ-OD1 3.66Å; K268-D272 PolarHBondContact NZ-OD1 3.37Å; K268-D272 IonicContact NZ-OD2 3.3Å; K268-D272 PolarHBondContact NZ-OD2 3.18Å; K268-D272 WeakPolarHBondContact O-CB 3.36Å; K268-D272 PolarHBondContact O-N 2.89Å; E269-D272 PolarHBondContact O-N 3.47Å; K270-D272 VanDerWaalsContact C-N 3.34Å; D272-I274 VanDerWaalsContact C-N 3.32Å; D272-I274 PolarHBondContact O-N 2.82Å; D272-N275 CarbonylContact O-C 3.48Å; D272-N275 WeakPolarHBondContact O-CA 3.33Å; D272-N275 WeakPolarHBondContact O-CB 3.34Å; D272-N275 PolarHBondContact O-N 3.48Å; D272-Q276 PolarHBondContact O-N 2.95Å
273A95.4Very high95.9Very high40 Ų4058.5 Ų58.533%0.33129%0.288SS..Hα-helixtrans-59.9-39.3176.200000112.8E269 K270 Q276 I277E269-A273 WeakPolarHBondContact O-CB 3.44Å; E269-A273 PolarHBondContact O-N 2.7Å; K270-A273 PolarHBondContact O-N 3.23Å; A273-Q276 WeakPolarHBondContact O-CB 3.36Å; A273-Q276 PolarHBondContact O-N 3.12Å; A273-I277 PolarHBondContact O-N 2.84Å
274I95.9Very high96.2Very high46 Ų4657.2 Ų57.224%0.23628%0.281CS..Hα-helixtrans-68-38173.9-62.2-59.9000111.2N18 K270 E271 D272 Q276 I277 N278N18-I274 VanDerWaalsContact ND2-CD1 3.32Å; N18-I274 WeakPolarHBondContact ND2-CD1 3.26Å; N18-I274 WeakPolarHBondContact OD1-CD1 3.42Å; K270-I274 WeakPolarHBondContact O-CG1 3.27Å; K270-I274 PolarHBondContact O-N 3.37Å; K270-I274 VanDerWaalsContact O-N 3.11Å; E271-I274 PolarHBondContact O-N 2.96Å; D272-I274 VanDerWaalsContact C-N 3.32Å; D272-I274 PolarHBondContact O-N 2.82Å; I274-Q276 VanDerWaalsContact C-N 3.31Å; I274-Q276 PolarHBondContact O-N 3.25Å; I274-I277 HydrophobicContact CD1-CD1 4.16Å; I274-I277 PolarHBondContact O-N 3.37Å; I274-N278 PolarHBondContact O-N 3.25Å; I274-N278 PolarHBondContact O-ND2 3.07Å
275N97.8Very high96.4Very high84 Ų8458.9 Ų58.945%0.44928%0.28SS..Hα-helixtrans-63.9-36.9175-69.5-30.6000111.7E271 D272 I277 N278 H279E271-N275 WeakPolarHBondContact O-CB 3.28Å; E271-N275 PolarHBondContact O-N 2.66Å; E271-N275 PolarHBondContact O-ND2 3.42Å; E271-N275 VanDerWaalsContact O-ND2 3.11Å; D272-N275 CarbonylContact O-C 3.48Å; D272-N275 WeakPolarHBondContact O-CA 3.33Å; D272-N275 WeakPolarHBondContact O-CB 3.34Å; D272-N275 PolarHBondContact O-N 3.48Å; N275-I277 PolarHBondContact O-N 2.88Å; N275-N278 PolarHBondContact O-N 3.38Å; N275-H279 WeakPolarHBondContact O-CB 3.32Å; N275-H279 PolarHBondContact O-N 3.38Å
276Q98.4Very high96.6Very high2 Ų261.2 Ų61.21%0.00929%0.293CS..Hα-helixtrans-56.3-50.2174.1-165.7169.64600111.9I176 S195 L224 E225 E226 D272 A273 I274 N278 H279 V280I176-Q276 PolarHBondContact O-NE2 3Å; S195-Q276 WeakPolarHBondContact OG-CG 3.38Å; S195-Q276 PolarHBondContact OG-NE2 3.17Å; L224-Q276 HydrophobicContact CB-CG 4.48Å; L224-Q276 VanDerWaalsContact CB-OE1 3.28Å; L224-Q276 PolarHBondContact O-OE1 3.35Å; E225-Q276 VanDerWaalsContact N-OE1 3.16Å; E225-Q276 PolarHBondContact O-NE2 3.05Å; E226-Q276 HydrophobicContact CB-CB 4.29Å; E226-Q276 HydrophobicContact CG-CB 4.3Å; E226-Q276 WeakPolarHBondContact OE2-CB 3.47Å; E226-Q276 WeakPolarHBondContact OE2-CG 3.37Å; E226-Q276 PolarHBondContact OE2-NE2 2.89Å; D272-Q276 PolarHBondContact O-N 2.95Å; A273-Q276 WeakPolarHBondContact O-CB 3.36Å; A273-Q276 PolarHBondContact O-N 3.12Å; I274-Q276 VanDerWaalsContact C-N 3.31Å; I274-Q276 PolarHBondContact O-N 3.25Å; Q276-N278 PolarHBondContact O-N 2.9Å; Q276-H279 WeakPolarHBondContact O-CB 3.28Å; Q276-H279 PolarHBondContact O-N 3.24Å; Q276-H279 VanDerWaalsContact O-N 3.09Å; Q276-V280 HydrophobicContact CG-CG2 4.34Å; Q276-V280 WeakPolarHBondContact O-CG2 3.29Å; Q276-V280 PolarHBondContact O-N 3.24Å
277I98.1Very high96.9Very high10 Ų1061.2 Ų61.25%0.05129%0.292CS..Hα-helixtrans-54.9-45.2179.1-68.6159.6000110N18 L20 L224 A273 I274 N275 R281N18-I277 HydrophobicContact CB-CD1 3.95Å; L20-I277 HydrophobicContact CD1-CD1 4.27Å; L20-I277 HydrophobicContact CD2-CG1 4.46Å; L20-I277 HydrophobicContact CD2-CG2 4.46Å; L224-I277 HydrophobicContact CD1-CB 4.28Å; L224-I277 HydrophobicContact CD1-CG1 3.46Å; L224-I277 VanDerWaalsContact CD1-CG1 3.46Å; A273-I277 PolarHBondContact O-N 2.84Å; I274-I277 HydrophobicContact CD1-CD1 4.16Å; I274-I277 PolarHBondContact O-N 3.37Å; N275-I277 PolarHBondContact O-N 2.88Å; I277-R281 VanDerWaalsContact CG2-CZ 3.45Å; I277-R281 VanDerWaalsContact CG2-NH1 3.27Å; I277-R281 WeakPolarHBondContact O-CB 3.24Å; I277-R281 WeakPolarHBondContact O-CD 3.37Å; I277-R281 VanDerWaalsContact O-CG 3.23Å; I277-R281 WeakPolarHBondContact O-CG 3.42Å; I277-R281 PolarHBondContact O-N 3.27Å; I277-R281 VanDerWaalsContact O-N 3.09Å
278N98.1Very high97.1Very high72 Ų7260.7 Ų60.739%0.38529%0.294SS..Hα-helixtrans-67.5-41.1178.8-66.5-38.8000112.1I274 N275 Q276 R281 N282I274-N278 PolarHBondContact O-N 3.25Å; I274-N278 PolarHBondContact O-ND2 3.07Å; N275-N278 PolarHBondContact O-N 3.38Å; Q276-N278 PolarHBondContact O-N 2.9Å; N278-R281 PolarHBondContact O-N 3.39Å; N278-N282 PolarHBondContact O-N 3.25Å; N278-N282 PolarHBondContact O-ND2 3Å
279H98.5Very high97.3Very high50 Ų5062.1 Ų62.123%0.23130%0.302CS..Hα-helixtrans-60.6-53.7176.9-175.982.9000111.2S195 G196 F202 N275 Q276 R281 N282 V283S195-H279 PolarHBondContact O-ND1 2.77Å; G196-H279 WeakPolarHBondContact CA-CE1 3.44Å; F202-H279 AromaticContact CE1-CD2 3.89Å; F202-H279 AromaticContact CZ-CD2 3.87Å; N275-H279 WeakPolarHBondContact O-CB 3.32Å; N275-H279 PolarHBondContact O-N 3.38Å; Q276-H279 WeakPolarHBondContact O-CB 3.28Å; Q276-H279 PolarHBondContact O-N 3.24Å; Q276-H279 VanDerWaalsContact O-N 3.09Å; H279-R281 VanDerWaalsContact C-N 3.31Å; H279-R281 PolarHBondContact O-N 2.82Å; H279-N282 WeakPolarHBondContact O-CA 3.48Å; H279-N282 WeakPolarHBondContact O-CB 3.39Å; H279-N282 PolarHBondContact O-N 3.05Å; H279-V283 WeakPolarHBondContact O-CG2 3.49Å; H279-V283 PolarHBondContact O-N 3.38Å
280V98.5Very high97.5Very high11 Ų1164.2 Ų64.27%0.06731%0.312CS..Hα-helixtrans-58.1-43.4179.7173.80000111I176 F202 L206 L224 Q276 N282 V283 L284I176-V280 HydrophobicContact CD1-CG1 4.24Å; I176-V280 HydrophobicContact CD1-CG2 4.48Å; I176-V280 HydrophobicContact CG2-CG2 4.04Å; F202-V280 HydrophobicContact CE1-CG2 3.95Å; F202-V280 HydrophobicContact CZ-CG2 3.78Å; L206-V280 HydrophobicContact CD1-CG1 4.4Å; L224-V280 HydrophobicContact CD2-CB 4.42Å; L224-V280 HydrophobicContact CD2-CG1 4.35Å; L224-V280 HydrophobicContact CD2-CG2 3.92Å; Q276-V280 HydrophobicContact CG-CG2 4.34Å; Q276-V280 WeakPolarHBondContact O-CG2 3.29Å; Q276-V280 PolarHBondContact O-N 3.24Å; V280-N282 VanDerWaalsContact C-N 3.31Å; V280-N282 PolarHBondContact O-N 3.14Å; V280-V283 PolarHBondContact O-N 2.89Å; V280-L284 HydrophobicContact CG1-CD1 3.91Å; V280-L284 HydrophobicContact CG1-CG 4.19Å; V280-L284 WeakPolarHBondContact O-CB 3.35Å; V280-L284 VanDerWaalsContact O-CG 3.26Å; V280-L284 WeakPolarHBondContact O-CG 3.29Å; V280-L284 PolarHBondContact O-N 2.91Å
281R98.3Very high97.6Very high95 Ų9560.8 Ų60.836%0.35831%0.305SS..Hα-helixtrans-58.5-41.5174.6-77.5171.8171.1158.13.4113.1N18 I277 N278 H279 L284 Q285N18-R281 PolarHBondContact O-NH1 2.86Å; N18-R281 PolarHBondContact O-NH2 3.32Å; I277-R281 VanDerWaalsContact CG2-CZ 3.45Å; I277-R281 VanDerWaalsContact CG2-NH1 3.27Å; I277-R281 WeakPolarHBondContact O-CB 3.24Å; I277-R281 WeakPolarHBondContact O-CD 3.37Å; I277-R281 VanDerWaalsContact O-CG 3.23Å; I277-R281 WeakPolarHBondContact O-CG 3.42Å; I277-R281 PolarHBondContact O-N 3.27Å; I277-R281 VanDerWaalsContact O-N 3.09Å; N278-R281 PolarHBondContact O-N 3.39Å; H279-R281 VanDerWaalsContact C-N 3.31Å; H279-R281 PolarHBondContact O-N 2.82Å; R281-L284 PolarHBondContact O-N 3.43Å; R281-Q285 WeakPolarHBondContact O-CB 3.27Å; R281-Q285 PolarHBondContact O-N 3.18Å
282N98.6Very high97.7Very high99 Ų9958.1 Ų58.153%0.52930%0.299SS..Hα-helixtrans-65.4-42.4177.2-70.3-26.6000111.3N278 H279 V280 Q285 Q286N278-N282 PolarHBondContact O-N 3.25Å; N278-N282 PolarHBondContact O-ND2 3Å; H279-N282 WeakPolarHBondContact O-CA 3.48Å; H279-N282 WeakPolarHBondContact O-CB 3.39Å; H279-N282 PolarHBondContact O-N 3.05Å; V280-N282 VanDerWaalsContact C-N 3.31Å; V280-N282 PolarHBondContact O-N 3.14Å; N282-Q285 PolarHBondContact O-N 3.36Å; N282-Q286 WeakPolarHBondContact O-CG 3.24Å; N282-Q286 PolarHBondContact O-N 3.01Å; N282-Q286 VanDerWaalsContact O-N 3.08Å
283V98.6Very high97.7Very high8 Ų863.4 Ų63.45%0.04832%0.323CS..Hα-helixtrans-64.7-45.9176.2-177.20000111.1F202 K203 L206 H279 V280 Q285 Q286 I287F202-V283 HydrophobicContact CD1-CG1 4.43Å; F202-V283 HydrophobicContact CD1-CG2 4.26Å; F202-V283 HydrophobicContact CE1-CG2 4.42Å; K203-V283 HydrophobicContact CB-CG1 3.72Å; K203-V283 HydrophobicContact CD-CG1 4.5Å; K203-V283 HydrophobicContact CG-CG1 3.71Å; L206-V283 HydrophobicContact CD1-CB 4.2Å; L206-V283 HydrophobicContact CD1-CG1 3.87Å; H279-V283 WeakPolarHBondContact O-CG2 3.49Å; H279-V283 PolarHBondContact O-N 3.38Å; V280-V283 PolarHBondContact O-N 2.89Å; V283-Q285 PolarHBondContact O-N 3.4Å; V283-Q286 WeakPolarHBondContact O-CB 3.46Å; V283-Q286 PolarHBondContact O-N 3.03Å; V283-I287 HydrophobicContact CG1-CD1 4.07Å; V283-I287 HydrophobicContact CG1-CG1 4.47Å; V283-I287 WeakPolarHBondContact O-CG1 3.35Å; V283-I287 PolarHBondContact O-N 3.47Å
284L98.3Very high97.7Very high69 Ų6967.7 Ų67.736%0.36134%0.34SS..Hα-helixtrans-57-38.8175.4-71.8173.2000112I210 V280 R281 I287 K288I210-L284 HydrophobicContact CD1-CD2 3.28Å; I210-L284 HydrophobicContact CG1-CD2 4.49Å; V280-L284 HydrophobicContact CG1-CD1 3.91Å; V280-L284 HydrophobicContact CG1-CG 4.19Å; V280-L284 WeakPolarHBondContact O-CB 3.35Å; V280-L284 VanDerWaalsContact O-CG 3.26Å; V280-L284 WeakPolarHBondContact O-CG 3.29Å; V280-L284 PolarHBondContact O-N 2.91Å; R281-L284 PolarHBondContact O-N 3.43Å; L284-I287 PolarHBondContact O-N 3.44Å; L284-K288 WeakPolarHBondContact O-CB 3.46Å; L284-K288 PolarHBondContact O-N 2.9Å
285Q98.4Very high97.6Very high86 Ų8672.7 Ų72.740%0.40237%0.366SS..Hα-helixtrans-70.4-33.8177.3177.551.9-3.700112.8R281 N282 V283 K288 Q289R281-Q285 WeakPolarHBondContact O-CB 3.27Å; R281-Q285 PolarHBondContact O-N 3.18Å; N282-Q285 PolarHBondContact O-N 3.36Å; V283-Q285 PolarHBondContact O-N 3.4Å; Q285-K288 PolarHBondContact O-N 2.93Å; Q285-Q289 VanDerWaalsContact NE2-NE2 3.13Å; Q285-Q289 WeakPolarHBondContact O-CB 3.46Å; Q285-Q289 VanDerWaalsContact O-CG 3.23Å; Q285-Q289 WeakPolarHBondContact O-CG 3.48Å; Q285-Q289 PolarHBondContact O-N 2.99Å
286Q98.4Very high97.5Very high88 Ų8874.6 Ų74.641%0.41138%0.376SS..Hα-helixtrans-63.6-47.6171.2-67.216935.600110.9K203 N282 V283 K288 Q289 E290K203-Q286 HydrophobicContact CD-CB 4.48Å; N282-Q286 WeakPolarHBondContact O-CG 3.24Å; N282-Q286 PolarHBondContact O-N 3.01Å; N282-Q286 VanDerWaalsContact O-N 3.08Å; V283-Q286 WeakPolarHBondContact O-CB 3.46Å; V283-Q286 PolarHBondContact O-N 3.03Å; Q286-K288 VanDerWaalsContact C-N 3.3Å; Q286-K288 PolarHBondContact O-N 3.15Å; Q286-Q289 WeakPolarHBondContact O-CB 3.33Å; Q286-Q289 PolarHBondContact O-N 3.22Å; Q286-Q289 VanDerWaalsContact O-N 3.13Å; Q286-E290 WeakPolarHBondContact O-CG 3.21Å; Q286-E290 PolarHBondContact O-N 2.82Å
287I98.3Very high96.9Very high19 Ų1983.6 Ų83.610%0.09742%0.418CS..Hα-helixtrans-57.3-46.1177.2-64.4169.3000110.3K203 L206 T207 I210 V283 L284 Q289 E290 A291K203-I287 HydrophobicContact CD-CG1 4.29Å; K203-I287 HydrophobicContact CG-CD1 4.08Å; K203-I287 HydrophobicContact CG-CG1 3.73Å; L206-I287 HydrophobicContact CB-CD1 3.73Å; T207-I287 HydrophobicContact CG2-CG2 4.42Å; T207-I287 WeakPolarHBondContact OG1-CD1 3.37Å; T207-I287 WeakPolarHBondContact OG1-CG1 3.32Å; I210-I287 HydrophobicContact CD1-CD1 4.3Å; V283-I287 HydrophobicContact CG1-CD1 4.07Å; V283-I287 HydrophobicContact CG1-CG1 4.47Å; V283-I287 WeakPolarHBondContact O-CG1 3.35Å; V283-I287 PolarHBondContact O-N 3.47Å; L284-I287 PolarHBondContact O-N 3.44Å; I287-Q289 VanDerWaalsContact C-N 3.34Å; I287-Q289 PolarHBondContact O-N 3.2Å; I287-E290 PolarHBondContact O-N 2.99Å; I287-A291 WeakPolarHBondContact O-CB 3.5Å; I287-A291 PolarHBondContact O-N 3.06Å
288K97.6Very high96.8Very high137 Ų13787.3 Ų87.360%0.59644%0.436SS*.Hα-helixtrans-61.4-40.1177.4-177.6174.6178.7177.90112.7L284 Q285 Q286 S292L284-K288 WeakPolarHBondContact O-CB 3.46Å; L284-K288 PolarHBondContact O-N 2.9Å; Q285-K288 PolarHBondContact O-N 2.93Å; Q286-K288 VanDerWaalsContact C-N 3.3Å; Q286-K288 PolarHBondContact O-N 3.15Å; K288-S292 WeakPolarHBondContact O-CB 3.26Å; K288-S292 PolarHBondContact O-N 3.41Å; K288-S292 PolarHBondContact O-OG 3.01Å
289Q97.9Very high96.8Very high113 Ų11388.1 Ų88.153%0.52844%0.439SS..Hα-helixtrans-66.1-43.4176.5-74.5170.72.500111.6Q285 Q286 I287 S292 H293Q285-Q289 VanDerWaalsContact NE2-NE2 3.13Å; Q285-Q289 WeakPolarHBondContact O-CB 3.46Å; Q285-Q289 VanDerWaalsContact O-CG 3.23Å; Q285-Q289 WeakPolarHBondContact O-CG 3.48Å; Q285-Q289 PolarHBondContact O-N 2.99Å; Q286-Q289 WeakPolarHBondContact O-CB 3.33Å; Q286-Q289 PolarHBondContact O-N 3.22Å; Q286-Q289 VanDerWaalsContact O-N 3.13Å; I287-Q289 VanDerWaalsContact C-N 3.34Å; I287-Q289 PolarHBondContact O-N 3.2Å; Q289-S292 PolarHBondContact O-N 2.81Å; Q289-H293 WeakPolarHBondContact O-CB 3.43Å; Q289-H293 PolarHBondContact O-N 3.26Å
290E97.5Very high96.7Very high87 Ų8790.2 Ų90.241%0.40745%0.45SS..Hα-helixtrans-61.6-47.8176.5-72.7173.7-177.200111.1K203 Q286 I287 S292 H293 L294K203-E290 VanDerWaalsContact NZ-CD 3.31Å; K203-E290 IonicContact NZ-OE1 3.48Å; K203-E290 PolarHBondContact NZ-OE1 3.47Å; K203-E290 IonicContact NZ-OE2 2.87Å; K203-E290 PolarHBondContact NZ-OE2 2.77Å; Q286-E290 WeakPolarHBondContact O-CG 3.21Å; Q286-E290 PolarHBondContact O-N 2.82Å; I287-E290 PolarHBondContact O-N 2.99Å; E290-S292 PolarHBondContact O-N 3.36Å; E290-H293 PolarHBondContact O-N 3.21Å; E290-L294 WeakPolarHBondContact O-CG 3.47Å; E290-L294 PolarHBondContact O-N 3.18Å
291A96.1Very high96.6Very high44 Ų4494.8 Ų94.836%0.36447%0.473SS..Hα-helixtrans-61-43.8175.200000112.2I287 H293 L294 L295I287-A291 WeakPolarHBondContact O-CB 3.5Å; I287-A291 PolarHBondContact O-N 3.06Å; A291-H293 VanDerWaalsContact C-N 3.27Å; A291-H293 PolarHBondContact O-N 3.1Å; A291-L294 PolarHBondContact O-N 2.86Å; A291-L295 VanDerWaalsContact O-CG 3.31Å; A291-L295 WeakPolarHBondContact O-CG 3.48Å; A291-L295 PolarHBondContact O-N 3.1Å
292S96.6Very high96.5Very high52 Ų5294.8 Ų94.836%0.36448%0.48SS..Hα-helixtrans-63.3-35.3177.6-58.10000111.9K288 Q289 E290 N296K288-S292 WeakPolarHBondContact O-CB 3.26Å; K288-S292 PolarHBondContact O-N 3.41Å; K288-S292 PolarHBondContact O-OG 3.01Å; Q289-S292 PolarHBondContact O-N 2.81Å; E290-S292 PolarHBondContact O-N 3.36Å; S292-N296 WeakPolarHBondContact O-CB 3.35Å; S292-N296 PolarHBondContact O-N 2.88Å; S292-N296 PolarHBondContact O-ND2 2.96Å
293H96.7Very high96.3Very high119 Ų11994.5 Ų94.555%0.55148%0.477SS*.Hα-helixtrans-67-47.4176.4-175.464.6000111.1Q289 E290 A291 L295 N296 H297Q289-H293 WeakPolarHBondContact O-CB 3.43Å; Q289-H293 PolarHBondContact O-N 3.26Å; E290-H293 PolarHBondContact O-N 3.21Å; A291-H293 VanDerWaalsContact C-N 3.27Å; A291-H293 PolarHBondContact O-N 3.1Å; H293-L295 VanDerWaalsContact C-N 3.28Å; H293-L295 PolarHBondContact O-N 2.99Å; H293-N296 PolarHBondContact O-N 2.73Å; H293-H297 AromaticContact CE1-CD2 3.57Å; H293-H297 AromaticContact ND1-CD2 3.33Å; H293-H297 PolarHBondContact ND1-CD2 3.46Å; H293-H297 VanDerWaalsContact ND1-CD2 3.33Å; H293-H297 WeakPolarHBondContact O-CB 3.34Å; H293-H297 PolarHBondContact O-N 2.85Å; H293-H297 VanDerWaalsContact O-N 3.1Å
294L95.5Very high96.2Very high131 Ų131100.7 Ų100.769%0.68651%0.507SS*.Hα-helixtrans-63.7-27.6178.8-69.2171.3000114.1E290 A291E290-L294 WeakPolarHBondContact O-CG 3.47Å; E290-L294 PolarHBondContact O-N 3.18Å; A291-L294 PolarHBondContact O-N 2.86Å
295L93.9Very high96Very high151 Ų151103.2 Ų103.279%0.79152%0.518SS*.Hα-helixtrans-85.8-20.6178.8-69.2172.8000113.3A291 H293A291-L295 VanDerWaalsContact O-CG 3.31Å; A291-L295 WeakPolarHBondContact O-CG 3.48Å; A291-L295 PolarHBondContact O-N 3.1Å; H293-L295 VanDerWaalsContact C-N 3.28Å; H293-L295 PolarHBondContact O-N 2.99Å
296N94.8Very high95.8Very high124 Ų124104.6 Ų104.666%0.66353%0.528SS*.Hα-helixtrans-106.1-7.6-176.3-69.7-54.2000113.7S292 H293S292-N296 WeakPolarHBondContact O-CB 3.35Å; S292-N296 PolarHBondContact O-N 2.88Å; S292-N296 PolarHBondContact O-ND2 2.96Å; H293-N296 PolarHBondContact O-N 2.73Å
297H86.3Confident95.6Very high190 Ų190106.1 Ų106.188%0.8854%0.539SS*.  trans-1400-177.2-65.6-69.6000111.3H293H293-H297 AromaticContact CE1-CD2 3.57Å; H293-H297 AromaticContact ND1-CD2 3.33Å; H293-H297 PolarHBondContact ND1-CD2 3.46Å; H293-H297 VanDerWaalsContact ND1-CD2 3.33Å; H293-H297 WeakPolarHBondContact O-CB 3.34Å; H293-H297 PolarHBondContact O-N 2.85Å; H293-H297 VanDerWaalsContact O-N 3.1Å

Retrieved 297 of 297 residues in 63 ms (Link to these results)

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