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Glucosamine-6-phosphate isomerase

Catalyzes the reversible conversion of alpha-D-glucosamine 6-phosphate (GlcN-6P) into beta-D-fructose 6-phosphate (Fru-6P) and ammonium ion, a regulatory reaction step in de novo uridine diphosphate-N-acetyl-alpha-D-glucosamine (UDP-GlcNAc) biosynthesis via hexosamine pathway.

AlphaFold DB , UniProt , Accession A0A077Z011, 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
1M94.1Very high97.2Very high77 Ų7756.9 Ų56.938%0.37929%0.288SS..  0157.2068.7175.456.600110.7V3 I216 Q230 A235 I237M1-V3 HydrophobicContact CG-CG2 4.29Å; M1-V3 HydrophobicContact SD-CG2 3.94Å; M1-I216 HydrophobicContact SD-CG1 4.28Å; M1-Q230 HydrophobicContact CE-CB 4.15Å; M1-Q230 HydrophobicContact CE-CG 3.49Å; M1-Q230 VanDerWaalsContact CE-CG 3.49Å; M1-A235 CarbonylContact C-O 3.54Å; M1-A235 VanDerWaalsContact CA-O 3.28Å; M1-A235 WeakPolarHBondContact CA-O 3.48Å; M1-A235 HydrophobicContact CB-CB 4.15Å; M1-I237 HydrophobicContact SD-CD1 4.23Å
2R96.1Very high97.3Very high73 Ų7352.2 Ų52.228%0.27526%0.264SS..EExtended strand (participates in β ladder)trans-102.1140.4164.4-69.8167.9-70.2171.32108.6Y19 E198 A235 M236 I237R2-Y19 PolarHBondContact NH1-OH 3.46Å; R2-Y19 VanDerWaalsContact NH1-OH 3.08Å; R2-Y19 PolarHBondContact NH2-OH 3.01Å; R2-E198 IonicContact CZ-OE1 3.4Å; R2-E198 IonicContact NH1-OE1 3.93Å; R2-E198 IonicContact NH2-OE1 2.7Å; R2-E198 PolarHBondContact NH2-OE1 3.09Å; R2-A235 PolarHBondContact N-O 2.79Å; R2-M236 HydrophobicContact CB-CB 4.49Å; R2-M236 HydrophobicContact CB-CG 4.29Å; R2-M236 CarbonylContact O-C 3.24Å; R2-M236 WeakPolarHBondContact O-CA 3.47Å; R2-I237 PolarHBondContact O-N 3.16Å
3V97.6Very high97.4Very high3 Ų349 Ų492%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-123.8116.9169.6-174.70000106.6M1 I5 I216 I237 F255 T259M1-V3 HydrophobicContact CG-CG2 4.29Å; M1-V3 HydrophobicContact SD-CG2 3.94Å; V3-I5 HydrophobicContact CG1-CG1 4.1Å; V3-I216 HydrophobicContact CG1-CD1 3.99Å; V3-I216 HydrophobicContact CG2-CD1 3.84Å; V3-I216 HydrophobicContact CG2-CG1 4.46Å; V3-I237 CarbonylContact C-O 3.53Å; V3-I237 VanDerWaalsContact CA-O 3.29Å; V3-I237 WeakPolarHBondContact CA-O 3.45Å; V3-F255 HydrophobicContact CB-CB 4.1Å; V3-F255 HydrophobicContact CB-CD1 3.64Å; V3-F255 HydrophobicContact CB-CD2 3.84Å; V3-F255 HydrophobicContact CB-CE1 3.93Å; V3-F255 HydrophobicContact CB-CE2 4.11Å; V3-F255 HydrophobicContact CB-CG 3.6Å; V3-F255 HydrophobicContact CB-CZ 4.15Å; V3-F255 HydrophobicContact CG1-CD2 4.35Å; V3-F255 HydrophobicContact CG1-CG 4.35Å; V3-F255 HydrophobicContact CG2-CD1 4.02Å; V3-F255 HydrophobicContact CG2-CD2 4.01Å; V3-F255 HydrophobicContact CG2-CE1 3.75Å; V3-F255 HydrophobicContact CG2-CE2 3.75Å; V3-F255 HydrophobicContact CG2-CG 4.15Å; V3-F255 HydrophobicContact CG2-CZ 3.61Å; V3-T259 PolarHBondContact O-OG1 3.28Å
4I98.1Very high97.4Very high4 Ų449.4 Ų49.42%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-100123.6179.2-55.8-58.8000106.4L6 F15 M236 I237 V238 C239 T259 Y262I4-L6 HydrophobicContact CG2-CD1 4.12Å; I4-L6 HydrophobicContact CG2-CD2 4.21Å; I4-L6 HydrophobicContact CG2-CG 3.98Å; I4-F15 HydrophobicContact CB-CE1 4.5Å; I4-F15 HydrophobicContact CB-CZ 4.47Å; I4-F15 HydrophobicContact CD1-CZ 4.33Å; I4-F15 HydrophobicContact CG1-CE1 4.12Å; I4-F15 HydrophobicContact CG1-CZ 3.86Å; I4-F15 HydrophobicContact CG2-CD1 4.44Å; I4-F15 HydrophobicContact CG2-CD2 4.35Å; I4-F15 HydrophobicContact CG2-CE1 4.23Å; I4-F15 HydrophobicContact CG2-CE2 4.11Å; I4-F15 HydrophobicContact CG2-CZ 4.05Å; I4-M236 HydrophobicContact CG1-CG 4.09Å; I4-M236 HydrophobicContact CG1-SD 3.94Å; I4-I237 PolarHBondContact N-O 3Å; I4-V238 HydrophobicContact CB-CB 4.45Å; I4-V238 HydrophobicContact CB-CG1 4.13Å; I4-V238 HydrophobicContact CB-CG2 4.32Å; I4-V238 HydrophobicContact CG2-CG1 4.1Å; I4-V238 WeakPolarHBondContact O-CA 3.25Å; I4-C239 PolarHBondContact O-N 3.37Å; I4-T259 WeakPolarHBondContact CA-OG1 3.5Å; I4-T259 HydrophobicContact CG2-CG2 3.87Å; I4-Y262 HydrophobicContact CD1-CD1 3.96Å; I4-Y262 HydrophobicContact CD1-CG 4.43Å
5I98Very high97.4Very high9 Ų947 Ų475%0.04624%0.24CC..EExtended strand (participates in β ladder)trans-117.9117.7-179.1-54.4174000107.5V3 C239 E241 T244 V252 F255 K256 T259V3-I5 HydrophobicContact CG1-CG1 4.1Å; I5-C239 WeakPolarHBondContact CA-O 3.27Å; I5-E241 WeakPolarHBondContact CG2-OE1 3.47Å; I5-T244 HydrophobicContact CD1-CG2 4.09Å; I5-T244 HydrophobicContact CG1-CG2 4.15Å; I5-T244 HydrophobicContact CG2-CG2 3.94Å; I5-V252 HydrophobicContact CD1-CB 4.46Å; I5-V252 HydrophobicContact CD1-CG1 4.04Å; I5-F255 HydrophobicContact CD1-CB 3.89Å; I5-F255 HydrophobicContact CG1-CB 4.45Å; I5-K256 HydrophobicContact CB-CG 4.25Å; I5-K256 HydrophobicContact CD1-CG 4.3Å; I5-K256 HydrophobicContact CG2-CG 4.45Å; I5-T259 PolarHBondContact N-OG1 2.94Å
6L97.5Very high97.4Very high17 Ų1744.1 Ų44.19%0.08923%0.225CC..EExtended strand (participates in β ladder)trans-120167.3-176.7-60.4167.8000109.8I4 N8 E11 V12 F15 V238 C239 D240 E241I4-L6 HydrophobicContact CG2-CD1 4.12Å; I4-L6 HydrophobicContact CG2-CD2 4.21Å; I4-L6 HydrophobicContact CG2-CG 3.98Å; L6-N8 PolarHBondContact O-N 3.4Å; L6-E11 HydrophobicContact CB-CB 3.91Å; L6-E11 HydrophobicContact CD1-CB 4.24Å; L6-E11 WeakPolarHBondContact CD1-O 3.21Å; L6-V12 HydrophobicContact CB-CG2 4.29Å; L6-V12 HydrophobicContact CD1-CG2 4.26Å; L6-F15 HydrophobicContact CD1-CB 3.58Å; L6-F15 HydrophobicContact CD1-CD2 4.49Å; L6-F15 HydrophobicContact CD1-CG 4Å; L6-V238 HydrophobicContact CD1-CG1 3.87Å; L6-C239 PolarHBondContact N-O 2.87Å; L6-D240 CarbonylContact O-C 3.55Å; L6-D240 VanDerWaalsContact O-CA 3.29Å; L6-D240 WeakPolarHBondContact O-CA 3.2Å; L6-E241 PolarHBondContact O-N 2.98Å
7D97.1Very high97.5Very high110 Ų11041.5 Ų41.559%0.58821%0.211SC*.SBendtrans-72.9-33.3-168-70.1-23.9000112.4E11D7-E11 PolarHBondContact N-OE2 3.25Å; D7-E11 VanDerWaalsContact N-OE2 3.16Å
8N97.7Very high97.5Very high60 Ų6043.3 Ų43.332%0.32122%0.219SC..SBendtrans-154172.3-172.86067.3000113L6 E10 E11 V12L6-N8 PolarHBondContact O-N 3.4Å; N8-E10 VanDerWaalsContact C-N 3.29Å; N8-E10 PolarHBondContact O-N 3.29Å; N8-E10 WeakPolarHBondContact OD1-CA 3.43Å; N8-E10 VanDerWaalsContact OD1-CB 3.3Å; N8-E10 WeakPolarHBondContact OD1-CB 3.3Å; N8-E10 PolarHBondContact OD1-N 3.04Å; N8-E11 PolarHBondContact ND2-OE1 3.15Å; N8-E11 PolarHBondContact O-N 3.24Å; N8-E11 PolarHBondContact OD1-N 2.94Å; N8-V12 WeakPolarHBondContact O-CG2 3.41Å; N8-V12 PolarHBondContact O-N 3Å; N8-V12 VanDerWaalsContact O-N 3.14Å
9A97.5Very high97.5Very high43 Ų4341.3 Ų41.336%0.35521%0.209SC..Hα-helixtrans-64.2-28.5-178.300000114.2C13 C204A9-C13 PolarHBondContact O-N 3.49Å; A9-C13 VanDerWaalsContact O-N 3.09Å; A9-C13 PolarHBondContact O-SG 3.1Å; A9-C204 HydrophobicContact CB-CB 3.79Å
10E97.8Very high97.5Very high159 Ų15939.3 Ų39.374%0.74320%0.198SC*.Hα-helixtrans-67.8-46.4177.2-178.2179.2173.700110.2N8 V12 C13 D14N8-E10 VanDerWaalsContact C-N 3.29Å; N8-E10 PolarHBondContact O-N 3.29Å; N8-E10 WeakPolarHBondContact OD1-CA 3.43Å; N8-E10 VanDerWaalsContact OD1-CB 3.3Å; N8-E10 WeakPolarHBondContact OD1-CB 3.3Å; N8-E10 PolarHBondContact OD1-N 3.04Å; E10-V12 VanDerWaalsContact C-N 3.35Å; E10-V12 PolarHBondContact O-N 3.38Å; E10-C13 WeakPolarHBondContact O-CB 3.27Å; E10-C13 PolarHBondContact O-N 3.05Å; E10-C13 VanDerWaalsContact O-N 3.15Å; E10-D14 PolarHBondContact O-N 3.33Å
11E97.7Very high97.6Very high71 Ų7138.9 Ų38.933%0.33220%0.195SC..Hα-helixtrans-62.4-39.7175.2-72.8175-147.100112.4L6 D7 N8 C13 D14 F15L6-E11 HydrophobicContact CB-CB 3.91Å; L6-E11 HydrophobicContact CD1-CB 4.24Å; L6-E11 WeakPolarHBondContact CD1-O 3.21Å; D7-E11 PolarHBondContact N-OE2 3.25Å; D7-E11 VanDerWaalsContact N-OE2 3.16Å; N8-E11 PolarHBondContact ND2-OE1 3.15Å; N8-E11 PolarHBondContact O-N 3.24Å; N8-E11 PolarHBondContact OD1-N 2.94Å; E11-C13 VanDerWaalsContact C-N 3.3Å; E11-C13 PolarHBondContact O-N 2.7Å; E11-D14 PolarHBondContact O-N 3.21Å; E11-F15 VanDerWaalsContact O-CB 3.24Å; E11-F15 WeakPolarHBondContact O-CB 3.42Å; E11-F15 PolarHBondContact O-N 2.94Å
12V98.3Very high97.7Very high0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-57-46.2172.6171.10000111.3L6 N8 E10 A16 L202 V238 C239 D240L6-V12 HydrophobicContact CB-CG2 4.29Å; L6-V12 HydrophobicContact CD1-CG2 4.26Å; N8-V12 WeakPolarHBondContact O-CG2 3.41Å; N8-V12 PolarHBondContact O-N 3Å; N8-V12 VanDerWaalsContact O-N 3.14Å; E10-V12 VanDerWaalsContact C-N 3.35Å; E10-V12 PolarHBondContact O-N 3.38Å; V12-A16 VanDerWaalsContact O-CB 3.3Å; V12-A16 WeakPolarHBondContact O-CB 3.45Å; V12-A16 PolarHBondContact O-N 3.42Å; V12-L202 HydrophobicContact CG1-CB 4.06Å; V12-L202 HydrophobicContact CG1-CD1 4.38Å; V12-L202 HydrophobicContact CG1-CD2 4.06Å; V12-L202 HydrophobicContact CG1-CG 4.38Å; V12-V238 HydrophobicContact CB-CG1 4.24Å; V12-V238 HydrophobicContact CG1-CB 4.19Å; V12-V238 HydrophobicContact CG1-CG1 3.79Å; V12-V238 HydrophobicContact CG2-CG1 4.17Å; V12-C239 VanDerWaalsContact CG2-C 3.45Å; V12-D240 HydrophobicContact CG2-CB 4.11Å
13C98.2Very high97.8Very high11 Ų1136 Ų367%0.07418%0.181CC..Hα-helixtrans-66-43.8179.3-74.20000112.5A9 E10 E11 A16 A17 T44 M48A9-C13 PolarHBondContact O-N 3.49Å; A9-C13 VanDerWaalsContact O-N 3.09Å; A9-C13 PolarHBondContact O-SG 3.1Å; E10-C13 WeakPolarHBondContact O-CB 3.27Å; E10-C13 PolarHBondContact O-N 3.05Å; E10-C13 VanDerWaalsContact O-N 3.15Å; E11-C13 VanDerWaalsContact C-N 3.3Å; E11-C13 PolarHBondContact O-N 2.7Å; C13-A16 PolarHBondContact O-N 3.12Å; C13-A17 WeakPolarHBondContact O-CB 3.38Å; C13-A17 PolarHBondContact O-N 3.01Å; C13-T44 PolarHBondContact SG-O 3.42Å; C13-T44 VanDerWaalsContact SG-O 3.41Å; C13-M48 HydrophobicContact CB-CB 4.38Å
14D97.4Very high97.8Very high55 Ų5536 Ų3629%0.29418%0.181SC..Hα-helixtrans-64.7-47.5177.8-174.967.3000111E10 E11 A16 A17 Q18 R51E10-D14 PolarHBondContact O-N 3.33Å; E11-D14 PolarHBondContact O-N 3.21Å; D14-A16 VanDerWaalsContact C-N 3.32Å; D14-A16 PolarHBondContact O-N 3.07Å; D14-A17 PolarHBondContact O-N 3.28Å; D14-Q18 WeakPolarHBondContact O-CB 3.29Å; D14-Q18 VanDerWaalsContact O-CG 3.24Å; D14-Q18 WeakPolarHBondContact O-CG 3.24Å; D14-Q18 PolarHBondContact O-N 3.09Å; D14-R51 IonicContact OD1-CZ 3.46Å; D14-R51 IonicContact OD1-NE 3.46Å; D14-R51 PolarHBondContact OD1-NE 2.89Å; D14-R51 IonicContact OD1-NH2 4Å; D14-R51 PolarHBondContact OD1-NH2 3.25Å
15F97.5Very high97.8Very high13 Ų1340 Ų406%0.05720%0.202CC..Hα-helixtrans-56.1-47.1175.6175.7-86000111.4I4 L6 E11 A17 Q18 Y19 M236 V238 Y262 M263 I266I4-F15 HydrophobicContact CB-CE1 4.5Å; I4-F15 HydrophobicContact CB-CZ 4.47Å; I4-F15 HydrophobicContact CD1-CZ 4.33Å; I4-F15 HydrophobicContact CG1-CE1 4.12Å; I4-F15 HydrophobicContact CG1-CZ 3.86Å; I4-F15 HydrophobicContact CG2-CD1 4.44Å; I4-F15 HydrophobicContact CG2-CD2 4.35Å; I4-F15 HydrophobicContact CG2-CE1 4.23Å; I4-F15 HydrophobicContact CG2-CE2 4.11Å; I4-F15 HydrophobicContact CG2-CZ 4.05Å; L6-F15 HydrophobicContact CD1-CB 3.58Å; L6-F15 HydrophobicContact CD1-CD2 4.49Å; L6-F15 HydrophobicContact CD1-CG 4Å; E11-F15 VanDerWaalsContact O-CB 3.24Å; E11-F15 WeakPolarHBondContact O-CB 3.42Å; E11-F15 PolarHBondContact O-N 2.94Å; F15-A17 PolarHBondContact O-N 2.99Å; F15-Q18 PolarHBondContact O-N 3.03Å; F15-Y19 HydrophobicContact CE1-CD2 4.4Å; F15-Y19 HydrophobicContact CZ-CD2 4.3Å; F15-Y19 VanDerWaalsContact O-CB 3.31Å; F15-Y19 WeakPolarHBondContact O-CB 3.41Å; F15-Y19 PolarHBondContact O-N 3.01Å; F15-M236 HydrophobicContact CE1-CE 4.49Å; F15-M236 HydrophobicContact CE1-SD 3.59Å; F15-M236 VanDerWaalsContact CE1-SD 3.59Å; F15-M236 HydrophobicContact CZ-CE 4.38Å; F15-M236 HydrophobicContact CZ-SD 3.99Å; F15-V238 HydrophobicContact CD1-CB 4.48Å; F15-V238 HydrophobicContact CD1-CG1 3.75Å; F15-V238 HydrophobicContact CD1-CG2 3.86Å; F15-V238 HydrophobicContact CE1-CG1 4.31Å; F15-V238 HydrophobicContact CE1-CG2 3.73Å; F15-V238 HydrophobicContact CG-CG1 4.42Å; F15-Y262 HydrophobicContact CE2-CD1 4.17Å; F15-Y262 AromaticContact CE2-CE1 3.99Å; F15-Y262 HydrophobicContact CE2-CE1 3.99Å; F15-Y262 HydrophobicContact CZ-CD1 4.23Å; F15-Y262 AromaticContact CZ-CE1 3.8Å; F15-Y262 HydrophobicContact CZ-CE1 3.8Å; F15-M263 HydrophobicContact CD2-CE 4.06Å; F15-M263 HydrophobicContact CD2-SD 3.6Å; F15-M263 VanDerWaalsContact CD2-SD 3.6Å; F15-M263 HydrophobicContact CE2-SD 3.51Å; F15-M263 VanDerWaalsContact CE2-SD 3.51Å; F15-I266 HydrophobicContact CE2-CD1 4.32Å
16A98.2Very high97.8Very high0 Ų044.5 Ų44.50%022%0.223CC..Hα-helixtrans-61.6-43.817900000112.1V12 C13 D14 Y19 I20 M48 M200 L202V12-A16 VanDerWaalsContact O-CB 3.3Å; V12-A16 WeakPolarHBondContact O-CB 3.45Å; V12-A16 PolarHBondContact O-N 3.42Å; C13-A16 PolarHBondContact O-N 3.12Å; D14-A16 VanDerWaalsContact C-N 3.32Å; D14-A16 PolarHBondContact O-N 3.07Å; A16-Y19 WeakPolarHBondContact O-CB 3.49Å; A16-Y19 PolarHBondContact O-N 3.2Å; A16-I20 WeakPolarHBondContact O-CD1 3.41Å; A16-I20 VanDerWaalsContact O-CG1 3.28Å; A16-I20 WeakPolarHBondContact O-CG1 3.24Å; A16-I20 PolarHBondContact O-N 3.38Å; A16-M48 HydrophobicContact CB-CG 3.99Å; A16-M48 HydrophobicContact CB-SD 3.88Å; A16-M200 HydrophobicContact CB-CE 3.85Å; A16-M200 HydrophobicContact CB-SD 4.35Å; A16-L202 HydrophobicContact CB-CD1 3.67Å; A16-L202 HydrophobicContact CB-CD2 3.63Å; A16-L202 HydrophobicContact CB-CG 4.3Å
17A98.5Very high97.8Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-65.3-43.417800000112C13 D14 F15 Y19 I20 K21 M48 R51 L52 F55C13-A17 WeakPolarHBondContact O-CB 3.38Å; C13-A17 PolarHBondContact O-N 3.01Å; D14-A17 PolarHBondContact O-N 3.28Å; F15-A17 PolarHBondContact O-N 2.99Å; A17-Y19 VanDerWaalsContact C-N 3.3Å; A17-Y19 PolarHBondContact O-N 3.04Å; A17-I20 PolarHBondContact O-N 3.23Å; A17-K21 WeakPolarHBondContact O-CB 3.5Å; A17-K21 PolarHBondContact O-N 2.98Å; A17-M48 HydrophobicContact CB-CG 4.19Å; A17-R51 HydrophobicContact CB-CB 3.59Å; A17-R51 HydrophobicContact CB-CG 3.58Å; A17-L52 HydrophobicContact CB-CD2 4.1Å; A17-L52 HydrophobicContact CB-CG 4.07Å; A17-F55 HydrophobicContact CB-CE2 3.96Å
18Q97.4Very high97.8Very high75 Ų7547.8 Ų47.835%0.3523%0.234SC..Hα-helixtrans-61.3-40.8174.4-69.7-76.520.500111.4D14 F15 K21 R22 F55D14-Q18 WeakPolarHBondContact O-CB 3.29Å; D14-Q18 VanDerWaalsContact O-CG 3.24Å; D14-Q18 WeakPolarHBondContact O-CG 3.24Å; D14-Q18 PolarHBondContact O-N 3.09Å; F15-Q18 PolarHBondContact O-N 3.03Å; Q18-K21 PolarHBondContact O-N 2.93Å; Q18-R22 WeakPolarHBondContact O-CB 3.28Å; Q18-R22 PolarHBondContact O-N 2.69Å; Q18-F55 HydrophobicContact CG-CZ 4.09Å
19Y97.6Very high97.9Very high5 Ų546.2 Ų46.22%0.0223%0.227CC..Hα-helixtrans-60.9-48.6176.9-164.3-94.9000111.6R2 F15 A16 A17 R22 K23 L133 E198 M200 M236 Y262R2-Y19 PolarHBondContact NH1-OH 3.46Å; R2-Y19 VanDerWaalsContact NH1-OH 3.08Å; R2-Y19 PolarHBondContact NH2-OH 3.01Å; F15-Y19 HydrophobicContact CE1-CD2 4.4Å; F15-Y19 HydrophobicContact CZ-CD2 4.3Å; F15-Y19 VanDerWaalsContact O-CB 3.31Å; F15-Y19 WeakPolarHBondContact O-CB 3.41Å; F15-Y19 PolarHBondContact O-N 3.01Å; A16-Y19 WeakPolarHBondContact O-CB 3.49Å; A16-Y19 PolarHBondContact O-N 3.2Å; A17-Y19 VanDerWaalsContact C-N 3.3Å; A17-Y19 PolarHBondContact O-N 3.04Å; Y19-R22 PolarHBondContact O-N 3.36Å; Y19-K23 HydrophobicContact CD1-CG 3.97Å; Y19-K23 HydrophobicContact CE1-CD 4.23Å; Y19-K23 HydrophobicContact CE1-CG 3.74Å; Y19-K23 WeakPolarHBondContact O-CB 3.47Å; Y19-K23 VanDerWaalsContact O-CG 3.25Å; Y19-K23 WeakPolarHBondContact O-CG 3.3Å; Y19-K23 PolarHBondContact O-N 3.27Å; Y19-K23 WeakPolarHBondContact OH-CE 3.17Å; Y19-K23 PolarHBondContact OH-NZ 2.66Å; Y19-L133 HydrophobicContact CD1-CD2 4.34Å; Y19-L133 HydrophobicContact CE1-CD1 4.49Å; Y19-E198 WeakPolarHBondContact CE1-OE1 3.16Å; Y19-E198 VanDerWaalsContact OH-CD 3.26Å; Y19-E198 PolarHBondContact OH-OE1 3.25Å; Y19-E198 PolarHBondContact OH-OE2 2.93Å; Y19-M200 HydrophobicContact CD1-SD 4.02Å; Y19-M200 HydrophobicContact CG-SD 4.28Å; Y19-M236 HydrophobicContact CD2-CE 4.11Å; Y19-M236 HydrophobicContact CE1-CE 4.48Å; Y19-M236 HydrophobicContact CE2-CE 3.51Å; Y19-M236 HydrophobicContact CE2-SD 4.5Å; Y19-Y262 VanDerWaalsContact CE2-OH 3.31Å; Y19-Y262 WeakPolarHBondContact CE2-OH 3.36Å
20I98.5Very high97.9Very high0 Ų047 Ų470%023%0.225CC..Hα-helixtrans-61.9-49177.5-69.1162.4000110.5A16 A17 R22 K23 I24 I37 M48 L52 L133 V135 M200A16-I20 WeakPolarHBondContact O-CD1 3.41Å; A16-I20 VanDerWaalsContact O-CG1 3.28Å; A16-I20 WeakPolarHBondContact O-CG1 3.24Å; A16-I20 PolarHBondContact O-N 3.38Å; A17-I20 PolarHBondContact O-N 3.23Å; I20-R22 VanDerWaalsContact C-N 3.35Å; I20-R22 PolarHBondContact O-N 3.18Å; I20-K23 PolarHBondContact O-N 3.06Å; I20-K23 VanDerWaalsContact O-N 3.16Å; I20-I24 HydrophobicContact CG2-CD1 3.7Å; I20-I24 HydrophobicContact CG2-CG1 4.42Å; I20-I24 WeakPolarHBondContact O-CG1 3.2Å; I20-I24 PolarHBondContact O-N 2.64Å; I20-I37 HydrophobicContact CD1-CD1 4.34Å; I20-I37 HydrophobicContact CG1-CD1 4.26Å; I20-I37 HydrophobicContact CG2-CD1 3.9Å; I20-M48 HydrophobicContact CD1-CE 4.35Å; I20-M48 HydrophobicContact CD1-CG 4.19Å; I20-M48 HydrophobicContact CD1-SD 3.51Å; I20-M48 VanDerWaalsContact CD1-SD 3.51Å; I20-L52 HydrophobicContact CB-CD2 4.06Å; I20-L52 HydrophobicContact CD1-CD1 4.09Å; I20-L52 HydrophobicContact CG2-CD1 4.37Å; I20-L52 HydrophobicContact CG2-CD2 3.82Å; I20-L133 HydrophobicContact CG1-CD2 3.81Å; I20-V135 HydrophobicContact CD1-CG2 4.03Å; I20-V135 HydrophobicContact CG1-CG2 4.32Å; I20-M200 HydrophobicContact CD1-CE 4.11Å; I20-M200 HydrophobicContact CG1-CE 4.06Å
21K98.3Very high97.9Very high31 Ų3143.2 Ų43.214%0.13521%0.214CC..Hα-helixtrans-51.6-54.6176.3175.4-174.3169.3-1710110.5A17 Q18 K23 I24 L25 F55 E60 L61A17-K21 WeakPolarHBondContact O-CB 3.5Å; A17-K21 PolarHBondContact O-N 2.98Å; Q18-K21 PolarHBondContact O-N 2.93Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-K23 PolarHBondContact O-N 3.19Å; K21-I24 PolarHBondContact O-N 3.08Å; K21-L25 HydrophobicContact CG-CD1 3.9Å; K21-L25 HydrophobicContact CG-CG 4.45Å; K21-L25 WeakPolarHBondContact O-CG 3.32Å; K21-L25 PolarHBondContact O-N 3.33Å; K21-F55 HydrophobicContact CB-CD2 4.06Å; K21-F55 HydrophobicContact CB-CE2 4.18Å; K21-F55 HydrophobicContact CD-CB 4.48Å; K21-F55 HydrophobicContact CD-CD1 4.14Å; K21-F55 HydrophobicContact CD-CD2 3.85Å; K21-F55 HydrophobicContact CD-CE1 4.32Å; K21-F55 HydrophobicContact CD-CE2 4.03Å; K21-F55 HydrophobicContact CD-CG 3.92Å; K21-F55 HydrophobicContact CD-CZ 4.28Å; K21-F55 HydrophobicContact CG-CD2 4.36Å; K21-E60 IonicContact NZ-OE2 2.92Å; K21-E60 PolarHBondContact NZ-OE2 3.26Å; K21-L61 HydrophobicContact CB-CD2 4.12Å; K21-L61 HydrophobicContact CG-CB 4.5Å; K21-L61 HydrophobicContact CG-CD1 4.27Å; K21-L61 HydrophobicContact CG-CD2 4.34Å
22R96.9Very high97.8Very high47 Ų4747.2 Ų47.218%0.17724%0.238CC..Hα-helixtrans-59-44.5179.7-178.5-17759.6177.2-10.9111.8Q18 Y19 I20 I24 L25 E26 Y262Q18-R22 WeakPolarHBondContact O-CB 3.28Å; Q18-R22 PolarHBondContact O-N 2.69Å; Y19-R22 PolarHBondContact O-N 3.36Å; I20-R22 VanDerWaalsContact C-N 3.35Å; I20-R22 PolarHBondContact O-N 3.18Å; R22-I24 VanDerWaalsContact C-N 3.32Å; R22-I24 PolarHBondContact O-N 3.04Å; R22-L25 PolarHBondContact O-N 3.46Å; R22-E26 VanDerWaalsContact CD-OE1 3.27Å; R22-E26 WeakPolarHBondContact CD-OE1 3.38Å; R22-E26 HydrophobicContact CG-CG 3.98Å; R22-E26 VanDerWaalsContact CG-OE1 3.29Å; R22-E26 WeakPolarHBondContact CG-OE1 3.29Å; R22-E26 IonicContact NE-OE1 3.44Å; R22-E26 WeakPolarHBondContact O-CB 3.34Å; R22-E26 VanDerWaalsContact O-CG 3.32Å; R22-E26 WeakPolarHBondContact O-CG 3.27Å; R22-E26 PolarHBondContact O-N 3.48Å; R22-Y262 PolarHBondContact NH2-OH 3.09Å
23K97.7Very high97.8Very high42 Ų4252.4 Ų52.418%0.18326%0.262CS..Hα-helixtrans-62.2-39.4-180-73.8-72.9175.2163.50112.7Y19 I20 K21 F27 F35 E198Y19-K23 HydrophobicContact CD1-CG 3.97Å; Y19-K23 HydrophobicContact CE1-CD 4.23Å; Y19-K23 HydrophobicContact CE1-CG 3.74Å; Y19-K23 WeakPolarHBondContact O-CB 3.47Å; Y19-K23 VanDerWaalsContact O-CG 3.25Å; Y19-K23 WeakPolarHBondContact O-CG 3.3Å; Y19-K23 PolarHBondContact O-N 3.27Å; Y19-K23 WeakPolarHBondContact OH-CE 3.17Å; Y19-K23 PolarHBondContact OH-NZ 2.66Å; I20-K23 PolarHBondContact O-N 3.06Å; I20-K23 VanDerWaalsContact O-N 3.16Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-K23 PolarHBondContact O-N 3.19Å; K23-F27 WeakPolarHBondContact O-CB 3.49Å; K23-F27 PolarHBondContact O-N 2.85Å; K23-F27 VanDerWaalsContact O-N 3.11Å; K23-F35 HydrophobicContact CB-CE2 4.03Å; K23-F35 HydrophobicContact CB-CZ 3.92Å; K23-E198 WeakPolarHBondContact CE-OE2 3.3Å; K23-E198 IonicContact NZ-OE2 3.25Å; K23-E198 PolarHBondContact NZ-OE2 3.49Å
24I98.5Very high97.8Very high3 Ų354.8 Ų54.82%0.01527%0.27CS..Hα-helixtrans-66.2-47.2175.1-67.1168.5000110.1I20 K21 R22 F27 Q28 P29 F35 L61 F63 V66I20-I24 HydrophobicContact CG2-CD1 3.7Å; I20-I24 HydrophobicContact CG2-CG1 4.42Å; I20-I24 WeakPolarHBondContact O-CG1 3.2Å; I20-I24 PolarHBondContact O-N 2.64Å; K21-I24 PolarHBondContact O-N 3.08Å; R22-I24 VanDerWaalsContact C-N 3.32Å; R22-I24 PolarHBondContact O-N 3.04Å; I24-F27 PolarHBondContact O-N 3.23Å; I24-Q28 PolarHBondContact O-N 2.95Å; I24-Q28 VanDerWaalsContact O-N 3.15Å; I24-P29 HydrophobicContact CG2-CG 4.07Å; I24-P29 WeakPolarHBondContact O-CD 3.4Å; I24-F35 HydrophobicContact CD1-CD1 4.38Å; I24-F35 HydrophobicContact CD1-CE1 4.41Å; I24-F35 HydrophobicContact CG1-CD1 3.64Å; I24-F35 HydrophobicContact CG1-CD2 4.31Å; I24-F35 HydrophobicContact CG1-CE1 3.68Å; I24-F35 HydrophobicContact CG1-CE2 4.35Å; I24-F35 HydrophobicContact CG1-CG 3.97Å; I24-F35 HydrophobicContact CG1-CZ 4.05Å; I24-L61 HydrophobicContact CB-CD1 3.89Å; I24-L61 HydrophobicContact CD1-CD1 4.16Å; I24-L61 HydrophobicContact CD1-CD2 4.35Å; I24-L61 HydrophobicContact CG2-CD1 3.68Å; I24-F63 HydrophobicContact CD1-CD1 4.45Å; I24-F63 HydrophobicContact CD1-CE1 3.98Å; I24-V66 HydrophobicContact CD1-CG2 4.23Å; I24-V66 HydrophobicContact CG2-CG2 4.37Å
25L97.8Very high97.9Very high89 Ų8952.2 Ų52.247%0.46626%0.256SS..Hα-helixtrans-64.9-42.5-179.6-66.7176.7000113K21 R22 F27 Q28 L61K21-L25 HydrophobicContact CG-CD1 3.9Å; K21-L25 HydrophobicContact CG-CG 4.45Å; K21-L25 WeakPolarHBondContact O-CG 3.32Å; K21-L25 PolarHBondContact O-N 3.33Å; R22-L25 PolarHBondContact O-N 3.46Å; L25-F27 VanDerWaalsContact C-N 3.28Å; L25-F27 PolarHBondContact O-N 3Å; L25-Q28 VanDerWaalsContact O-CG 3.24Å; L25-Q28 WeakPolarHBondContact O-CG 3.39Å; L25-Q28 PolarHBondContact O-N 2.99Å; L25-L61 HydrophobicContact CD2-CD1 4.42Å; L25-L61 HydrophobicContact CG-CD1 4.43Å
26E96.9Very high98Very high104 Ų10451.9 Ų51.949%0.48626%0.255SS..Hα-helixtrans-64.9-32.3175.6-74.4176173.100112R22R22-E26 VanDerWaalsContact CD-OE1 3.27Å; R22-E26 WeakPolarHBondContact CD-OE1 3.38Å; R22-E26 HydrophobicContact CG-CG 3.98Å; R22-E26 VanDerWaalsContact CG-OE1 3.29Å; R22-E26 WeakPolarHBondContact CG-OE1 3.29Å; R22-E26 IonicContact NE-OE1 3.44Å; R22-E26 WeakPolarHBondContact O-CB 3.34Å; R22-E26 VanDerWaalsContact O-CG 3.32Å; R22-E26 WeakPolarHBondContact O-CG 3.27Å; R22-E26 PolarHBondContact O-N 3.48Å
27F98.1Very high98Very high46 Ų4652.1 Ų52.120%0.20226%0.257CS..Hα-helixtrans-75.6-26.2179-173.8-88.8000113.1K23 I24 L25 P29 H33 Y34 F35 Q132K23-F27 WeakPolarHBondContact O-CB 3.49Å; K23-F27 PolarHBondContact O-N 2.85Å; K23-F27 VanDerWaalsContact O-N 3.11Å; I24-F27 PolarHBondContact O-N 3.23Å; L25-F27 VanDerWaalsContact C-N 3.28Å; L25-F27 PolarHBondContact O-N 3Å; F27-P29 HydrophobicContact CD1-CB 3.9Å; F27-P29 HydrophobicContact CE1-CB 4.2Å; F27-H33 AromaticContact CE1-CE1 3.91Å; F27-H33 AromaticContact CE1-ND1 3.77Å; F27-H33 AromaticContact CE2-CE1 3.75Å; F27-H33 AromaticContact CZ-CD2 3.83Å; F27-H33 AromaticContact CZ-CE1 3.27Å; F27-H33 WeakPolarHBondContact CZ-CE1 3.3Å; F27-H33 AromaticContact CZ-CG 3.95Å; F27-H33 AromaticContact CZ-ND1 3.62Å; F27-H33 AromaticContact CZ-NE2 3.41Å; F27-H33 WeakPolarHBondContact CZ-NE2 3.38Å; F27-Y34 WeakPolarHBondContact CE1-O 3.49Å; F27-Y34 WeakPolarHBondContact CZ-O 3.46Å; F27-F35 HydrophobicContact CB-CD2 3.68Å; F27-F35 HydrophobicContact CB-CE2 4.21Å; F27-F35 HydrophobicContact CD1-CB 3.94Å; F27-F35 AromaticContact CD1-CD2 3.96Å; F27-F35 HydrophobicContact CD1-CD2 3.96Å; F27-F35 HydrophobicContact CD1-CG 4.48Å; F27-F35 HydrophobicContact CD2-CD2 4.01Å; F27-F35 HydrophobicContact CE1-CB 4.18Å; F27-F35 HydrophobicContact CG-CB 4.49Å; F27-F35 AromaticContact CG-CD2 3.63Å; F27-F35 HydrophobicContact CG-CD2 3.63Å; F27-F35 HydrophobicContact CG-CE2 4.43Å; F27-Q132 HydrophobicContact CD2-CG 4.18Å; F27-Q132 HydrophobicContact CE2-CG 4.25Å
28Q97.9Very high98Very high149 Ų14952.1 Ų52.170%0.69626%0.257SS*.  trans52.559.1-179.3-57.9-178.9-8.100112.8I24 L25 N30I24-Q28 PolarHBondContact O-N 2.95Å; I24-Q28 VanDerWaalsContact O-N 3.15Å; L25-Q28 VanDerWaalsContact O-CG 3.24Å; L25-Q28 WeakPolarHBondContact O-CG 3.39Å; L25-Q28 PolarHBondContact O-N 2.99Å; Q28-N30 PolarHBondContact O-ND2 3.45Å
29P98.4Very high98.1Very high28 Ų2848.6 Ų48.618%0.18224%0.24CC..  trans-65147-17631-37.2000111.5I24 F27 H33 F35 F65I24-P29 HydrophobicContact CG2-CG 4.07Å; I24-P29 WeakPolarHBondContact O-CD 3.4Å; F27-P29 HydrophobicContact CD1-CB 3.9Å; F27-P29 HydrophobicContact CE1-CB 4.2Å; P29-H33 VanDerWaalsContact CA-O 3.24Å; P29-H33 WeakPolarHBondContact CA-O 3.25Å; P29-F35 HydrophobicContact CB-CB 4.02Å; P29-F35 HydrophobicContact CG-CB 4.27Å; P29-F65 HydrophobicContact CB-CB 3.74Å; P29-F65 WeakPolarHBondContact CB-O 3.4Å; P29-F65 HydrophobicContact CG-CB 4.25Å
30N98.2Very high98.1Very high60 Ų6048.4 Ų48.432%0.32124%0.239SC..BIsolated β-bridgetrans-148.4174.9-175.163.963.6000110Q28 D32 H33Q28-N30 PolarHBondContact O-ND2 3.45Å; N30-D32 PolarHBondContact O-N 3.34Å; N30-D32 PolarHBondContact OD1-N 3.15Å; N30-H33 PolarHBondContact N-O 3.44Å; N30-H33 CarbonylContact O-C 3.56Å; N30-H33 PolarHBondContact O-N 3.25Å; N30-H33 PolarHBondContact OD1-N 3.11Å; N30-H33 VanDerWaalsContact OD1-N 3.09Å
31P97.5Very high98Very high79 Ų7949.1 Ų49.151%0.51324%0.244SC..THydrogen-bonded Turntrans-55.5-24.2-176.9-26.833.5000115.6Y34 F65P31-Y34 WeakPolarHBondContact O-CE2 3.45Å; P31-F65 HydrophobicContact CB-CE1 4.13Å; P31-F65 HydrophobicContact CG-CD1 4.25Å; P31-F65 HydrophobicContact CG-CE1 3.51Å; P31-F65 HydrophobicContact CG-CZ 3.68Å
32D97Very high97.6Very high155 Ų15548.6 Ų48.683%0.82925%0.248SC*.THydrogen-bonded Turntrans-100.2-13.4-179-60.6-47.1000112.8N30N30-D32 PolarHBondContact O-N 3.34Å; N30-D32 PolarHBondContact OD1-N 3.15Å
33H97.2Very high97.2Very high108 Ų10848.6 Ų48.650%0.526%0.263SS..BIsolated β-bridgetrans-144.993.2-175.5-163.7-149000111.1F27 P29 N30F27-H33 AromaticContact CE1-CE1 3.91Å; F27-H33 AromaticContact CE1-ND1 3.77Å; F27-H33 AromaticContact CE2-CE1 3.75Å; F27-H33 AromaticContact CZ-CD2 3.83Å; F27-H33 AromaticContact CZ-CE1 3.27Å; F27-H33 WeakPolarHBondContact CZ-CE1 3.3Å; F27-H33 AromaticContact CZ-CG 3.95Å; F27-H33 AromaticContact CZ-ND1 3.62Å; F27-H33 AromaticContact CZ-NE2 3.41Å; F27-H33 WeakPolarHBondContact CZ-NE2 3.38Å; P29-H33 VanDerWaalsContact CA-O 3.24Å; P29-H33 WeakPolarHBondContact CA-O 3.25Å; N30-H33 PolarHBondContact N-O 3.44Å; N30-H33 CarbonylContact O-C 3.56Å; N30-H33 PolarHBondContact O-N 3.25Å; N30-H33 PolarHBondContact OD1-N 3.11Å; N30-H33 VanDerWaalsContact OD1-N 3.09Å
34Y98.7Very high96.9Very high61 Ų6148.3 Ų48.324%0.23926%0.264CS..PPolyproline II helixtrans-82.3144.5-177.3-74.9-100.3000112.1F27 P31 F65 K67 N103F27-Y34 WeakPolarHBondContact CE1-O 3.49Å; F27-Y34 WeakPolarHBondContact CZ-O 3.46Å; P31-Y34 WeakPolarHBondContact O-CE2 3.45Å; Y34-F65 WeakPolarHBondContact CA-O 3.29Å; Y34-F65 HydrophobicContact CD1-CB 4.22Å; Y34-F65 VanDerWaalsContact CD1-O 3.3Å; Y34-F65 WeakPolarHBondContact CD1-O 3.37Å; Y34-F65 HydrophobicContact CE1-CB 4.24Å; Y34-F65 HydrophobicContact CE1-CD1 4.04Å; Y34-K67 HydrophobicContact CD1-CD 4.2Å; Y34-K67 HydrophobicContact CD1-CG 3.87Å; Y34-K67 HydrophobicContact CG-CD 4.05Å; Y34-K67 HydrophobicContact CG-CG 4.17Å; Y34-N103 VanDerWaalsContact CE1-ND2 3.29Å; Y34-N103 WeakPolarHBondContact CE1-ND2 3.49Å
35F98.9Very high96.8Very high1 Ų148.3 Ų48.30%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-80.9117.3166.1-174.2-88.9000109.4K23 I24 F27 P29 I37 F65 V66 K67 Q132 L133K23-F35 HydrophobicContact CB-CE2 4.03Å; K23-F35 HydrophobicContact CB-CZ 3.92Å; I24-F35 HydrophobicContact CD1-CD1 4.38Å; I24-F35 HydrophobicContact CD1-CE1 4.41Å; I24-F35 HydrophobicContact CG1-CD1 3.64Å; I24-F35 HydrophobicContact CG1-CD2 4.31Å; I24-F35 HydrophobicContact CG1-CE1 3.68Å; I24-F35 HydrophobicContact CG1-CE2 4.35Å; I24-F35 HydrophobicContact CG1-CG 3.97Å; I24-F35 HydrophobicContact CG1-CZ 4.05Å; F27-F35 HydrophobicContact CB-CD2 3.68Å; F27-F35 HydrophobicContact CB-CE2 4.21Å; F27-F35 HydrophobicContact CD1-CB 3.94Å; F27-F35 AromaticContact CD1-CD2 3.96Å; F27-F35 HydrophobicContact CD1-CD2 3.96Å; F27-F35 HydrophobicContact CD1-CG 4.48Å; F27-F35 HydrophobicContact CD2-CD2 4.01Å; F27-F35 HydrophobicContact CE1-CB 4.18Å; F27-F35 HydrophobicContact CG-CB 4.49Å; F27-F35 AromaticContact CG-CD2 3.63Å; F27-F35 HydrophobicContact CG-CD2 3.63Å; F27-F35 HydrophobicContact CG-CE2 4.43Å; P29-F35 HydrophobicContact CB-CB 4.02Å; P29-F35 HydrophobicContact CG-CB 4.27Å; F35-I37 HydrophobicContact CD1-CB 4.22Å; F35-I37 HydrophobicContact CE1-CB 3.92Å; F35-I37 HydrophobicContact CE1-CD1 4.31Å; F35-I37 HydrophobicContact CE1-CG1 4.38Å; F35-F65 PolarHBondContact N-O 3.26Å; F35-V66 HydrophobicContact CB-CG2 4.35Å; F35-V66 CarbonylContact O-C 3.53Å; F35-V66 WeakPolarHBondContact O-CA 3.49Å; F35-K67 PolarHBondContact O-N 2.96Å; F35-Q132 HydrophobicContact CD2-CB 4.26Å; F35-Q132 HydrophobicContact CD2-CG 3.85Å; F35-Q132 HydrophobicContact CE2-CB 4.07Å; F35-Q132 HydrophobicContact CE2-CG 3.43Å; F35-Q132 VanDerWaalsContact CE2-CG 3.43Å; F35-Q132 HydrophobicContact CZ-CB 4.36Å; F35-Q132 HydrophobicContact CZ-CG 4.02Å; F35-L133 HydrophobicContact CE1-CB 4.3Å; F35-L133 HydrophobicContact CZ-CB 3.88Å; F35-L133 HydrophobicContact CZ-CD2 4.47Å
36T98.9Very high96.7Very high7 Ų747 Ų474%0.04326%0.257CS..EExtended strand (participates in β ladder)trans-96.8125.3179.250.30000111.2K67 F69 A128 G130 I131 Q132 L133T36-K67 CarbonylContact C-O 3.34Å; T36-K67 WeakPolarHBondContact CA-O 3.5Å; T36-K67 HydrophobicContact CG2-CB 4.11Å; T36-F69 HydrophobicContact CG2-CE2 4.27Å; T36-A128 HydrophobicContact CG2-CB 3.79Å; T36-G130 VanDerWaalsContact CB-O 3.24Å; T36-G130 WeakPolarHBondContact CB-O 3.24Å; T36-G130 WeakPolarHBondContact CG2-O 3.38Å; T36-G130 PolarHBondContact OG1-O 2.9Å; T36-I131 WeakPolarHBondContact OG1-CA 3.32Å; T36-Q132 WeakPolarHBondContact O-CB 3.39Å; T36-Q132 PolarHBondContact O-N 2.81Å; T36-Q132 PolarHBondContact OG1-N 3.11Å; T36-L133 PolarHBondContact O-N 3.44Å
37I98.9Very high96.8Very high5 Ų543.2 Ų43.23%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-126.1128.3-177.7-168.7170.5000112.1I20 F35 L39 V66 K67 T68 F69 L133 V135I20-I37 HydrophobicContact CD1-CD1 4.34Å; I20-I37 HydrophobicContact CG1-CD1 4.26Å; I20-I37 HydrophobicContact CG2-CD1 3.9Å; F35-I37 HydrophobicContact CD1-CB 4.22Å; F35-I37 HydrophobicContact CE1-CB 3.92Å; F35-I37 HydrophobicContact CE1-CD1 4.31Å; F35-I37 HydrophobicContact CE1-CG1 4.38Å; I37-L39 HydrophobicContact CD1-CD2 3.82Å; I37-L39 HydrophobicContact CG1-CD2 3.93Å; I37-L39 HydrophobicContact CG1-CG 4.34Å; I37-L39 HydrophobicContact CG2-CD1 4.37Å; I37-L39 HydrophobicContact CG2-CD2 4.45Å; I37-L39 HydrophobicContact CG2-CG 4.19Å; I37-V66 HydrophobicContact CG2-CG1 3.76Å; I37-K67 PolarHBondContact N-O 3.16Å; I37-T68 HydrophobicContact CG2-CG2 3.68Å; I37-T68 CarbonylContact O-C 3.52Å; I37-T68 WeakPolarHBondContact O-CA 3.48Å; I37-F69 PolarHBondContact O-N 3.44Å; I37-L133 CarbonylContact C-O 3.57Å; I37-L133 VanDerWaalsContact CA-O 3.26Å; I37-L133 WeakPolarHBondContact CA-O 3.37Å; I37-L133 HydrophobicContact CD1-CD2 4.48Å; I37-L133 WeakPolarHBondContact CG1-O 3.32Å; I37-V135 HydrophobicContact CD1-CG2 4.2Å; I37-V135 HydrophobicContact CG1-CG2 4.35Å
38G98.9Very high96.8Very high0 Ų041 Ų410%024%0.236CC..EExtended strand (participates in β ladder)trans-81.8128.4168.600000110.1F69 L133 V135G38-F69 CarbonylContact C-O 3.57Å; G38-F69 VanDerWaalsContact CA-O 3.22Å; G38-F69 WeakPolarHBondContact CA-O 3.35Å; G38-L133 PolarHBondContact N-O 3.06Å; G38-V135 PolarHBondContact O-N 3Å
39L98.8Very high96.9Very high1 Ų133.9 Ų33.91%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-122.6135.8-173.2-71.8-179000113.7I37 Y49 T68 F69 N70 M71 M89 F93 F94I37-L39 HydrophobicContact CD1-CD2 3.82Å; I37-L39 HydrophobicContact CG1-CD2 3.93Å; I37-L39 HydrophobicContact CG1-CG 4.34Å; I37-L39 HydrophobicContact CG2-CD1 4.37Å; I37-L39 HydrophobicContact CG2-CD2 4.45Å; I37-L39 HydrophobicContact CG2-CG 4.19Å; L39-Y49 HydrophobicContact CD1-CE1 4.37Å; L39-Y49 HydrophobicContact CD2-CE1 4.15Å; L39-T68 HydrophobicContact CD1-CG2 3.63Å; L39-F69 PolarHBondContact N-O 2.94Å; L39-N70 WeakPolarHBondContact O-CA 3.44Å; L39-N70 PolarHBondContact O-ND2 3.3Å; L39-M71 PolarHBondContact O-N 3Å; L39-M71 VanDerWaalsContact O-N 3.13Å; L39-M89 HydrophobicContact CB-CE 3.99Å; L39-M89 HydrophobicContact CD1-CE 3.7Å; L39-M89 HydrophobicContact CG-CE 4.48Å; L39-F93 HydrophobicContact CD1-CD1 4.12Å; L39-F93 HydrophobicContact CD1-CE1 3.86Å; L39-F94 HydrophobicContact CD1-CE1 4.04Å; L39-F94 HydrophobicContact CD1-CZ 4.26Å
40P98.1Very high96.9Very high0 Ų038.2 Ų38.20%022%0.221CC..  trans-93.9163174.133.3-27.8000113.3M45 Y49 M71 V135P40-M45 HydrophobicContact CB-CE 3.92Å; P40-M45 HydrophobicContact CB-CG 4.06Å; P40-M45 HydrophobicContact CB-SD 4.31Å; P40-M45 HydrophobicContact CG-CE 3.6Å; P40-M45 HydrophobicContact CG-CG 3.61Å; P40-M45 HydrophobicContact CG-SD 3.49Å; P40-M45 WeakPolarHBondContact CG-SD 3.24Å; P40-Y49 PolarHBondContact O-OH 3.03Å; P40-M71 HydrophobicContact CB-CE 3.47Å; P40-M71 VanDerWaalsContact CB-CE 3.47Å; P40-M71 HydrophobicContact CB-SD 4.01Å; P40-V135 VanDerWaalsContact CD-O 3.22Å; P40-V135 WeakPolarHBondContact CD-O 3.29Å; P40-V135 HydrophobicContact CG-CB 4.45Å; P40-V135 HydrophobicContact CG-CG1 4.15Å
41S95.8Very high96.9Very high15 Ų1540.2 Ų40.211%0.10522%0.224CC..  trans-103.4-167.916768.90000111M45 Y85S41-M45 WeakPolarHBondContact O-CG 3.46Å; S41-Y85 WeakPolarHBondContact OG-CD1 3.34Å; S41-Y85 WeakPolarHBondContact OG-CD2 3.26Å; S41-Y85 WeakPolarHBondContact OG-CE1 3.47Å; S41-Y85 WeakPolarHBondContact OG-CE2 3.49Å
42G90.1Very high96.9Very high20 Ų2036.5 Ų36.521%0.20620%0.2CC..SBendtrans91.9171.617000000115.4T44 M45 Y88G42-T44 PolarHBondContact O-N 3.36Å; G42-M45 PolarHBondContact O-N 3.03Å; G42-Y88 PolarHBondContact O-OH 3.44Å
43G88.6Confident97Very high48 Ų4829.4 Ų29.450%0.49516%0.162SC..G310 helixtrans-64.5-35.3-169.300000114.5M45 L46G43-M45 PolarHBondContact O-N 2.87Å; G43-M45 VanDerWaalsContact O-N 3.16Å; G43-L46 PolarHBondContact O-N 3.25Å
44T92.5Very high97.1Very high35 Ų3525.9 Ų25.922%0.21515%0.152CC..G310 helixtrans-59.4-28.4-178.4-59.30000113C13 G42 L202 C204C13-T44 PolarHBondContact SG-O 3.42Å; C13-T44 VanDerWaalsContact SG-O 3.41Å; G42-T44 PolarHBondContact O-N 3.36Å; T44-L202 HydrophobicContact CG2-CB 3.9Å; T44-C204 HydrophobicContact CG2-CB 4.46Å
45M95.9Very high97.1Very high3 Ų323.2 Ų23.22%0.01514%0.141CC..G310 helixtrans-91.8-10.2-169.2-51.4-60.1169.300113.3P40 S41 G42 G43 G47 M48 Y49 G136 L202P40-M45 HydrophobicContact CB-CE 3.92Å; P40-M45 HydrophobicContact CB-CG 4.06Å; P40-M45 HydrophobicContact CB-SD 4.31Å; P40-M45 HydrophobicContact CG-CE 3.6Å; P40-M45 HydrophobicContact CG-CG 3.61Å; P40-M45 HydrophobicContact CG-SD 3.49Å; P40-M45 WeakPolarHBondContact CG-SD 3.24Å; S41-M45 WeakPolarHBondContact O-CG 3.46Å; G42-M45 PolarHBondContact O-N 3.03Å; G43-M45 PolarHBondContact O-N 2.87Å; G43-M45 VanDerWaalsContact O-N 3.16Å; M45-G47 PolarHBondContact O-N 2.84Å; M45-M48 HydrophobicContact CB-CE 4.39Å; M45-M48 WeakPolarHBondContact O-CB 3.39Å; M45-M48 PolarHBondContact O-N 2.99Å; M45-M48 VanDerWaalsContact O-N 3.16Å; M45-Y49 HydrophobicContact CB-CD2 3.95Å; M45-Y49 HydrophobicContact CB-CE2 3.56Å; M45-Y49 VanDerWaalsContact O-CD2 3.24Å; M45-Y49 WeakPolarHBondContact O-CD2 3.33Å; M45-Y49 PolarHBondContact O-N 3.18Å; M45-G136 VanDerWaalsContact CE-O 3.26Å; M45-G136 WeakPolarHBondContact CE-O 3.38Å; M45-L202 HydrophobicContact CE-CB 4.16Å; M45-L202 HydrophobicContact CE-CG 4.49Å; M45-L202 HydrophobicContact SD-CB 4.29Å; M45-L202 HydrophobicContact SD-CD1 3.76Å; M45-L202 HydrophobicContact SD-CG 4.17Å
46L96.5Very high97.1Very high62 Ų6226.9 Ų26.933%0.32516%0.156SC..Hα-helixtrans-63.5-43.2-167.7-171.164.4000112.2G43 M48 Y49 Q50 N92G43-L46 PolarHBondContact O-N 3.25Å; L46-M48 VanDerWaalsContact C-N 3.32Å; L46-M48 PolarHBondContact O-N 3.47Å; L46-Y49 PolarHBondContact O-N 3.06Å; L46-Q50 VanDerWaalsContact O-CG 3.29Å; L46-Q50 WeakPolarHBondContact O-CG 3.38Å; L46-Q50 PolarHBondContact O-N 3.46Å; L46-N92 HydrophobicContact CD1-CB 4.09Å; L46-N92 WeakPolarHBondContact CD1-OD1 3.49Å
47G97.9Very high97.1Very high24 Ų2434.8 Ų34.825%0.24719%0.185CC..Hα-helixtrans-62.6-39.3176.900000112.3M45 Q50 R51M45-G47 PolarHBondContact O-N 2.84Å; G47-Q50 PolarHBondContact O-N 3.31Å; G47-R51 WeakPolarHBondContact O-CB 3.24Å; G47-R51 PolarHBondContact O-N 3.17Å
48M98.6Very high97Very high0 Ų038.8 Ų38.80%021%0.21CC..Hα-helixtrans-62-47176.6178.9-16772.400110.6C13 A16 A17 I20 M45 L46 Q50 R51 L52 V135 L202C13-M48 HydrophobicContact CB-CB 4.38Å; A16-M48 HydrophobicContact CB-CG 3.99Å; A16-M48 HydrophobicContact CB-SD 3.88Å; A17-M48 HydrophobicContact CB-CG 4.19Å; I20-M48 HydrophobicContact CD1-CE 4.35Å; I20-M48 HydrophobicContact CD1-CG 4.19Å; I20-M48 HydrophobicContact CD1-SD 3.51Å; I20-M48 VanDerWaalsContact CD1-SD 3.51Å; M45-M48 HydrophobicContact CB-CE 4.39Å; M45-M48 WeakPolarHBondContact O-CB 3.39Å; M45-M48 PolarHBondContact O-N 2.99Å; M45-M48 VanDerWaalsContact O-N 3.16Å; L46-M48 VanDerWaalsContact C-N 3.32Å; L46-M48 PolarHBondContact O-N 3.47Å; M48-Q50 PolarHBondContact O-N 3.43Å; M48-R51 PolarHBondContact O-N 3.17Å; M48-L52 HydrophobicContact CG-CD1 4.29Å; M48-L52 WeakPolarHBondContact O-CG 3.28Å; M48-L52 PolarHBondContact O-N 3.23Å; M48-V135 HydrophobicContact CE-CG1 4.3Å; M48-V135 HydrophobicContact SD-CG1 4.04Å; M48-L202 HydrophobicContact SD-CD1 4Å
49Y98.8Very high97Very high0 Ų042 Ų420%024%0.243CC..Hα-helixtrans-62.9-42.8177.3-70.1-53.1000112.6L39 P40 M45 L46 R51 L52 V53 Y88 M89 F93L39-Y49 HydrophobicContact CD1-CE1 4.37Å; L39-Y49 HydrophobicContact CD2-CE1 4.15Å; P40-Y49 PolarHBondContact O-OH 3.03Å; M45-Y49 HydrophobicContact CB-CD2 3.95Å; M45-Y49 HydrophobicContact CB-CE2 3.56Å; M45-Y49 VanDerWaalsContact O-CD2 3.24Å; M45-Y49 WeakPolarHBondContact O-CD2 3.33Å; M45-Y49 PolarHBondContact O-N 3.18Å; L46-Y49 PolarHBondContact O-N 3.06Å; Y49-R51 VanDerWaalsContact C-N 3.25Å; Y49-R51 PolarHBondContact O-N 2.58Å; Y49-L52 HydrophobicContact CD1-CD1 4.39Å; Y49-L52 PolarHBondContact O-N 3.48Å; Y49-V53 WeakPolarHBondContact O-CG2 3.31Å; Y49-V53 PolarHBondContact O-N 3.45Å; Y49-Y88 HydrophobicContact CD2-CE1 4.33Å; Y49-Y88 AromaticContact CE2-CE1 3.94Å; Y49-Y88 HydrophobicContact CE2-CE1 3.94Å; Y49-M89 HydrophobicContact CE1-CE 4.14Å; Y49-M89 HydrophobicContact CE2-SD 4.39Å; Y49-F93 HydrophobicContact CD1-CB 3.86Å; Y49-F93 AromaticContact CD1-CD1 3.58Å; Y49-F93 HydrophobicContact CD1-CD1 3.58Å; Y49-F93 AromaticContact CD1-CD2 3.8Å; Y49-F93 HydrophobicContact CD1-CD2 3.8Å; Y49-F93 HydrophobicContact CD1-CE1 4.01Å; Y49-F93 HydrophobicContact CD1-CE2 4.22Å; Y49-F93 AromaticContact CD1-CG 3.48Å; Y49-F93 HydrophobicContact CD1-CG 3.48Å; Y49-F93 VanDerWaalsContact CD1-CG 3.48Å; Y49-F93 HydrophobicContact CD1-CZ 4.31Å; Y49-F93 HydrophobicContact CE1-CB 4.37Å; Y49-F93 AromaticContact CE1-CD1 3.6Å; Y49-F93 HydrophobicContact CE1-CD1 3.6Å; Y49-F93 AromaticContact CE1-CE1 3.96Å; Y49-F93 HydrophobicContact CE1-CE1 3.96Å; Y49-F93 AromaticContact CE1-CG 3.98Å; Y49-F93 HydrophobicContact CE1-CG 3.98Å; Y49-F93 HydrophobicContact CG-CB 4.17Å; Y49-F93 HydrophobicContact CG-CD2 4.49Å; Y49-F93 HydrophobicContact CG-CG 4.23Å
50Q98.5Very high96.9Very high119 Ų11946 Ų4656%0.55626%0.262SS*.Hα-helixtrans-58-41175.6-72.6169.6-1000111.7L46 G47 M48 V53 A54L46-Q50 VanDerWaalsContact O-CG 3.29Å; L46-Q50 WeakPolarHBondContact O-CG 3.38Å; L46-Q50 PolarHBondContact O-N 3.46Å; G47-Q50 PolarHBondContact O-N 3.31Å; M48-Q50 PolarHBondContact O-N 3.43Å; Q50-V53 PolarHBondContact O-N 3.38Å; Q50-A54 PolarHBondContact O-N 3.27Å
51R98.5Very high96.9Very high101 Ų10146.3 Ų46.338%0.38126%0.263SS..Hα-helixtrans-70.5-40.2179-168.358160.8165.8-2.8112.8D14 A17 G47 M48 Y49 V53 A54 F55D14-R51 IonicContact OD1-CZ 3.46Å; D14-R51 IonicContact OD1-NE 3.46Å; D14-R51 PolarHBondContact OD1-NE 2.89Å; D14-R51 IonicContact OD1-NH2 4Å; D14-R51 PolarHBondContact OD1-NH2 3.25Å; A17-R51 HydrophobicContact CB-CB 3.59Å; A17-R51 HydrophobicContact CB-CG 3.58Å; G47-R51 WeakPolarHBondContact O-CB 3.24Å; G47-R51 PolarHBondContact O-N 3.17Å; M48-R51 PolarHBondContact O-N 3.17Å; Y49-R51 VanDerWaalsContact C-N 3.25Å; Y49-R51 PolarHBondContact O-N 2.58Å; R51-V53 VanDerWaalsContact C-N 3.34Å; R51-V53 PolarHBondContact O-N 3.08Å; R51-A54 WeakPolarHBondContact O-CB 3.45Å; R51-A54 PolarHBondContact O-N 2.84Å; R51-A54 VanDerWaalsContact O-N 3.13Å; R51-F55 HydrophobicContact CG-CE1 4.46Å; R51-F55 HydrophobicContact CG-CE2 3.84Å; R51-F55 HydrophobicContact CG-CZ 3.76Å; R51-F55 WeakPolarHBondContact O-CD2 3.35Å; R51-F55 WeakPolarHBondContact O-CG 3.14Å; R51-F55 PolarHBondContact O-N 3.03Å
52L98.8Very high97.1Very high1 Ų147.9 Ų47.91%0.00527%0.274CS..Hα-helixtrans-61.2-41.3172.6-70.3173.7000112.2A17 I20 M48 Y49 A54 F55 Y56 L61 F63 F93A17-L52 HydrophobicContact CB-CD2 4.1Å; A17-L52 HydrophobicContact CB-CG 4.07Å; I20-L52 HydrophobicContact CB-CD2 4.06Å; I20-L52 HydrophobicContact CD1-CD1 4.09Å; I20-L52 HydrophobicContact CG2-CD1 4.37Å; I20-L52 HydrophobicContact CG2-CD2 3.82Å; M48-L52 HydrophobicContact CG-CD1 4.29Å; M48-L52 WeakPolarHBondContact O-CG 3.28Å; M48-L52 PolarHBondContact O-N 3.23Å; Y49-L52 HydrophobicContact CD1-CD1 4.39Å; Y49-L52 PolarHBondContact O-N 3.48Å; L52-A54 VanDerWaalsContact C-N 3.3Å; L52-A54 PolarHBondContact O-N 3.37Å; L52-F55 HydrophobicContact CD2-CD2 4.38Å; L52-F55 PolarHBondContact O-N 3.02Å; L52-Y56 PolarHBondContact O-N 2.98Å; L52-Y56 VanDerWaalsContact O-N 3.09Å; L52-L61 HydrophobicContact CD2-CD2 4.04Å; L52-F63 HydrophobicContact CB-CZ 4.19Å; L52-F63 HydrophobicContact CD2-CZ 4.35Å; L52-F93 HydrophobicContact CB-CE2 3.75Å; L52-F93 HydrophobicContact CB-CZ 4.25Å; L52-F93 HydrophobicContact CD1-CE2 4.16Å; L52-F93 HydrophobicContact CD1-CZ 3.93Å
53V98.8Very high97.5Very high7 Ų747.1 Ų47.14%0.04227%0.265CS..Hα-helixtrans-62.8-38.4173.4170.30000111.2Y49 Q50 R51 Y56 R57 F93 H96 I97Y49-V53 WeakPolarHBondContact O-CG2 3.31Å; Y49-V53 PolarHBondContact O-N 3.45Å; Q50-V53 PolarHBondContact O-N 3.38Å; R51-V53 VanDerWaalsContact C-N 3.34Å; R51-V53 PolarHBondContact O-N 3.08Å; V53-Y56 PolarHBondContact O-N 3.27Å; V53-R57 HydrophobicContact CG1-CG 4.4Å; V53-R57 WeakPolarHBondContact O-CG 3.09Å; V53-R57 PolarHBondContact O-N 3.31Å; V53-F93 HydrophobicContact CG2-CD2 3.91Å; V53-F93 HydrophobicContact CG2-CE2 4.38Å; V53-H96 HydrophobicContact CB-CB 4.42Å; V53-H96 HydrophobicContact CG1-CB 3.73Å; V53-H96 HydrophobicContact CG2-CB 3.73Å; V53-I97 HydrophobicContact CG2-CG2 4.05Å
54A98.7Very high98Very high34 Ų3449 Ų4928%0.28126%0.261SS..Hα-helixtrans-61.9-46.8175.700000111.4Q50 R51 L52 Y56 R57 T58Q50-A54 PolarHBondContact O-N 3.27Å; R51-A54 WeakPolarHBondContact O-CB 3.45Å; R51-A54 PolarHBondContact O-N 2.84Å; R51-A54 VanDerWaalsContact O-N 3.13Å; L52-A54 VanDerWaalsContact C-N 3.3Å; L52-A54 PolarHBondContact O-N 3.37Å; A54-Y56 VanDerWaalsContact C-N 3.29Å; A54-Y56 PolarHBondContact O-N 2.94Å; A54-R57 PolarHBondContact O-N 2.66Å; A54-R57 VanDerWaalsContact O-N 3.15Å; A54-T58 PolarHBondContact O-N 2.89Å; A54-T58 PolarHBondContact O-OG1 3.1Å; A54-T58 VanDerWaalsContact O-OG1 3.08Å
55F98.7Very high98.3Very high4 Ų449.6 Ų49.62%0.01826%0.261CS..Hα-helixtrans-59.8-37.5176.2-63.1-38.7000113A17 Q18 K21 R51 L52 T58 G59 E60 L61A17-F55 HydrophobicContact CB-CE2 3.96Å; Q18-F55 HydrophobicContact CG-CZ 4.09Å; K21-F55 HydrophobicContact CB-CD2 4.06Å; K21-F55 HydrophobicContact CB-CE2 4.18Å; K21-F55 HydrophobicContact CD-CB 4.48Å; K21-F55 HydrophobicContact CD-CD1 4.14Å; K21-F55 HydrophobicContact CD-CD2 3.85Å; K21-F55 HydrophobicContact CD-CE1 4.32Å; K21-F55 HydrophobicContact CD-CE2 4.03Å; K21-F55 HydrophobicContact CD-CG 3.92Å; K21-F55 HydrophobicContact CD-CZ 4.28Å; K21-F55 HydrophobicContact CG-CD2 4.36Å; R51-F55 HydrophobicContact CG-CE1 4.46Å; R51-F55 HydrophobicContact CG-CE2 3.84Å; R51-F55 HydrophobicContact CG-CZ 3.76Å; R51-F55 WeakPolarHBondContact O-CD2 3.35Å; R51-F55 WeakPolarHBondContact O-CG 3.14Å; R51-F55 PolarHBondContact O-N 3.03Å; L52-F55 HydrophobicContact CD2-CD2 4.38Å; L52-F55 PolarHBondContact O-N 3.02Å; F55-T58 WeakPolarHBondContact CA-OG1 3.48Å; F55-T58 PolarHBondContact O-OG1 3.27Å; F55-T58 VanDerWaalsContact O-OG1 3.09Å; F55-G59 PolarHBondContact O-N 2.98Å; F55-E60 HydrophobicContact CB-CB 4.31Å; F55-E60 WeakPolarHBondContact O-CB 3.38Å; F55-E60 PolarHBondContact O-N 3.13Å; F55-L61 HydrophobicContact CB-CB 3.91Å; F55-L61 HydrophobicContact CB-CD2 4.44Å; F55-L61 PolarHBondContact O-N 2.64Å
56Y98.7Very high98.4Very high78 Ų7849.5 Ų49.531%0.30626%0.26SS..Hα-helixtrans-64.6-47.6173.5166.6-106000112L52 V53 A54 T58 G59 L61 H96 I97 D98L52-Y56 PolarHBondContact O-N 2.98Å; L52-Y56 VanDerWaalsContact O-N 3.09Å; V53-Y56 PolarHBondContact O-N 3.27Å; A54-Y56 VanDerWaalsContact C-N 3.29Å; A54-Y56 PolarHBondContact O-N 2.94Å; Y56-T58 PolarHBondContact O-N 3.25Å; Y56-G59 PolarHBondContact O-N 2.96Å; Y56-L61 WeakPolarHBondContact CA-O 3.38Å; Y56-H96 WeakPolarHBondContact CD1-O 3.44Å; Y56-H96 VanDerWaalsContact CE1-O 3.29Å; Y56-H96 WeakPolarHBondContact CE1-O 3.25Å; Y56-I97 HydrophobicContact CD1-CB 4.29Å; Y56-I97 HydrophobicContact CD1-CG2 4.15Å; Y56-I97 HydrophobicContact CG-CB 4.28Å; Y56-I97 HydrophobicContact CG-CG2 4.15Å; Y56-D98 HydrophobicContact CD2-CB 4.47Å; Y56-D98 HydrophobicContact CE2-CB 3.55Å; Y56-D98 WeakPolarHBondContact CE2-OD1 3.37Å
57R98.3Very high98.5Very high173 Ų17348.8 Ų48.865%0.65326%0.255SS*.Hα-helixtrans-63.8-28.4-178.8-72.7175.9179.8173.42.2113.4V53 A54 G59V53-R57 HydrophobicContact CG1-CG 4.4Å; V53-R57 WeakPolarHBondContact O-CG 3.09Å; V53-R57 PolarHBondContact O-N 3.31Å; A54-R57 PolarHBondContact O-N 2.66Å; A54-R57 VanDerWaalsContact O-N 3.15Å; R57-G59 VanDerWaalsContact C-N 3.32Å
58T98.3Very high98.6Very high89 Ų8947.7 Ų47.755%0.54624%0.243SC..THydrogen-bonded Turntrans-85.6-2.617553.90000113.3A54 F55 Y56 E60A54-T58 PolarHBondContact O-N 2.89Å; A54-T58 PolarHBondContact O-OG1 3.1Å; A54-T58 VanDerWaalsContact O-OG1 3.08Å; F55-T58 WeakPolarHBondContact CA-OG1 3.48Å; F55-T58 PolarHBondContact O-OG1 3.27Å; F55-T58 VanDerWaalsContact O-OG1 3.09Å; Y56-T58 PolarHBondContact O-N 3.25Å; T58-E60 VanDerWaalsContact C-N 3.29Å; T58-E60 WeakPolarHBondContact CB-OE1 3.47Å; T58-E60 WeakPolarHBondContact OG1-CG 3.47Å; T58-E60 PolarHBondContact OG1-OE1 2.84Å
59G97.8Very high98.6Very high68 Ų6847.8 Ų47.870%0.70124%0.243SC*.THydrogen-bonded Turntrans77.711-17900000114.3F55 Y56 R57F55-G59 PolarHBondContact O-N 2.98Å; Y56-G59 PolarHBondContact O-N 2.96Å; R57-G59 VanDerWaalsContact C-N 3.32Å
60E97.9Very high98.6Very high85 Ų8547.8 Ų47.840%0.39724%0.243SC..SBendtrans-82.5-13.7-178.5-64.5175.5-105.100113.5K21 F55 T58K21-E60 IonicContact NZ-OE2 2.92Å; K21-E60 PolarHBondContact NZ-OE2 3.26Å; F55-E60 HydrophobicContact CB-CB 4.31Å; F55-E60 WeakPolarHBondContact O-CB 3.38Å; F55-E60 PolarHBondContact O-N 3.13Å; T58-E60 VanDerWaalsContact C-N 3.29Å; T58-E60 WeakPolarHBondContact CB-OE1 3.47Å; T58-E60 WeakPolarHBondContact OG1-CG 3.47Å; T58-E60 PolarHBondContact OG1-OE1 2.84Å
61L98.2Very high98.6Very high6 Ų642.6 Ų42.63%0.03122%0.22CC..  trans-152138.7-177-172.761.5000110.9K21 I24 L25 L52 F55 Y56 F63K21-L61 HydrophobicContact CB-CD2 4.12Å; K21-L61 HydrophobicContact CG-CB 4.5Å; K21-L61 HydrophobicContact CG-CD1 4.27Å; K21-L61 HydrophobicContact CG-CD2 4.34Å; I24-L61 HydrophobicContact CB-CD1 3.89Å; I24-L61 HydrophobicContact CD1-CD1 4.16Å; I24-L61 HydrophobicContact CD1-CD2 4.35Å; I24-L61 HydrophobicContact CG2-CD1 3.68Å; L25-L61 HydrophobicContact CD2-CD1 4.42Å; L25-L61 HydrophobicContact CG-CD1 4.43Å; L52-L61 HydrophobicContact CD2-CD2 4.04Å; F55-L61 HydrophobicContact CB-CB 3.91Å; F55-L61 HydrophobicContact CB-CD2 4.44Å; F55-L61 PolarHBondContact O-N 2.64Å; Y56-L61 WeakPolarHBondContact CA-O 3.38Å; L61-F63 HydrophobicContact CD2-CE1 4.22Å; L61-F63 HydrophobicContact CD2-CE2 3.79Å; L61-F63 HydrophobicContact CD2-CZ 3.44Å; L61-F63 VanDerWaalsContact CD2-CZ 3.44Å; L61-F63 HydrophobicContact CG-CE2 4.01Å; L61-F63 HydrophobicContact CG-CZ 4.08Å
62S98.7Very high98.6Very high49 Ų4938 Ų3834%0.34320%0.202SC..  trans-120.1148.5170.5169.60000110.2E64 D98S62-E64 WeakPolarHBondContact OG-CB 3.39Å; S62-E64 PolarHBondContact OG-N 2.95Å; S62-E64 VanDerWaalsContact OG-N 3.17Å; S62-D98 WeakPolarHBondContact CB-OD2 3.28Å; S62-D98 PolarHBondContact OG-OD2 2.86Å
63F98.8Very high98.6Very high4 Ų438 Ų382%0.01820%0.203CC..  trans-11210.4175.9-63.2-91000112.6I24 L52 L61 F65 V66 F93 I97 D98 I99I24-F63 HydrophobicContact CD1-CD1 4.45Å; I24-F63 HydrophobicContact CD1-CE1 3.98Å; L52-F63 HydrophobicContact CB-CZ 4.19Å; L52-F63 HydrophobicContact CD2-CZ 4.35Å; L61-F63 HydrophobicContact CD2-CE1 4.22Å; L61-F63 HydrophobicContact CD2-CE2 3.79Å; L61-F63 HydrophobicContact CD2-CZ 3.44Å; L61-F63 VanDerWaalsContact CD2-CZ 3.44Å; L61-F63 HydrophobicContact CG-CE2 4.01Å; L61-F63 HydrophobicContact CG-CZ 4.08Å; F63-F65 VanDerWaalsContact C-N 3.27Å; F63-F65 PolarHBondContact O-N 3.42Å; F63-V66 HydrophobicContact CB-CB 4.25Å; F63-V66 HydrophobicContact CB-CG2 4.3Å; F63-V66 HydrophobicContact CD1-CB 4.18Å; F63-V66 HydrophobicContact CD1-CG1 4.21Å; F63-V66 HydrophobicContact CD1-CG2 3.99Å; F63-V66 PolarHBondContact O-N 3.38Å; F63-V66 VanDerWaalsContact O-N 3.1Å; F63-F93 HydrophobicContact CD1-CZ 4.29Å; F63-F93 HydrophobicContact CE1-CE2 4.46Å; F63-F93 AromaticContact CE1-CZ 3.67Å; F63-F93 HydrophobicContact CE1-CZ 3.67Å; F63-F93 HydrophobicContact CE2-CE2 4.45Å; F63-F93 HydrophobicContact CE2-CZ 4.4Å; F63-F93 HydrophobicContact CZ-CE2 4.08Å; F63-F93 AromaticContact CZ-CZ 3.73Å; F63-F93 HydrophobicContact CZ-CZ 3.73Å; F63-I97 HydrophobicContact CB-CD1 4.06Å; F63-I97 HydrophobicContact CB-CG1 4.48Å; F63-I97 HydrophobicContact CD1-CD1 4.13Å; F63-I97 HydrophobicContact CD2-CB 3.79Å; F63-I97 HydrophobicContact CD2-CD1 3.86Å; F63-I97 HydrophobicContact CD2-CG1 4.29Å; F63-I97 HydrophobicContact CD2-CG2 3.96Å; F63-I97 HydrophobicContact CE2-CB 4.32Å; F63-I97 HydrophobicContact CE2-CD1 4.32Å; F63-I97 HydrophobicContact CE2-CG2 3.96Å; F63-I97 HydrophobicContact CG-CB 4.41Å; F63-I97 HydrophobicContact CG-CD1 3.75Å; F63-I97 HydrophobicContact CG-CG1 4.45Å; F63-D98 WeakPolarHBondContact CA-OD1 3.36Å; F63-D98 WeakPolarHBondContact CB-OD1 3.33Å; F63-D98 PolarHBondContact N-OD1 2.75Å; F63-I99 HydrophobicContact CB-CB 3.94Å; F63-I99 HydrophobicContact CB-CG1 4.46Å
64E98.6Very high98.5Very high87 Ų8737.9 Ų37.941%0.40720%0.201SC..THydrogen-bonded Turntrans-54.5-43.6-179-175.3177.8-177.400112S62S62-E64 WeakPolarHBondContact OG-CB 3.39Å; S62-E64 PolarHBondContact OG-N 2.95Å; S62-E64 VanDerWaalsContact OG-N 3.17Å
65F98.8Very high98.5Very high48 Ų4837.6 Ų37.621%0.21120%0.195CC..THydrogen-bonded Turntrans-10531.1179.1-53.8-59.8000113.3P29 P31 Y34 F35 F63P29-F65 HydrophobicContact CB-CB 3.74Å; P29-F65 WeakPolarHBondContact CB-O 3.4Å; P29-F65 HydrophobicContact CG-CB 4.25Å; P31-F65 HydrophobicContact CB-CE1 4.13Å; P31-F65 HydrophobicContact CG-CD1 4.25Å; P31-F65 HydrophobicContact CG-CE1 3.51Å; P31-F65 HydrophobicContact CG-CZ 3.68Å; Y34-F65 WeakPolarHBondContact CA-O 3.29Å; Y34-F65 HydrophobicContact CD1-CB 4.22Å; Y34-F65 VanDerWaalsContact CD1-O 3.3Å; Y34-F65 WeakPolarHBondContact CD1-O 3.37Å; Y34-F65 HydrophobicContact CE1-CB 4.24Å; Y34-F65 HydrophobicContact CE1-CD1 4.04Å; F35-F65 PolarHBondContact N-O 3.26Å; F63-F65 VanDerWaalsContact C-N 3.27Å; F63-F65 PolarHBondContact O-N 3.42Å
66V98.9Very high98.4Very high0 Ų040.2 Ų40.20%022%0.223CC..EExtended strand (participates in β ladder)trans-106.2137.8173.7177.30000110.1I24 F35 I37 F63 T68 N103I24-V66 HydrophobicContact CD1-CG2 4.23Å; I24-V66 HydrophobicContact CG2-CG2 4.37Å; F35-V66 HydrophobicContact CB-CG2 4.35Å; F35-V66 CarbonylContact O-C 3.53Å; F35-V66 WeakPolarHBondContact O-CA 3.49Å; I37-V66 HydrophobicContact CG2-CG1 3.76Å; F63-V66 HydrophobicContact CB-CB 4.25Å; F63-V66 HydrophobicContact CB-CG2 4.3Å; F63-V66 HydrophobicContact CD1-CB 4.18Å; F63-V66 HydrophobicContact CD1-CG1 4.21Å; F63-V66 HydrophobicContact CD1-CG2 3.99Å; F63-V66 PolarHBondContact O-N 3.38Å; F63-V66 VanDerWaalsContact O-N 3.1Å; V66-T68 HydrophobicContact CG1-CG2 4.22Å; V66-N103 VanDerWaalsContact O-CB 3.29Å; V66-N103 WeakPolarHBondContact O-CB 3.38Å
67K98.9Very high98.2Very high48 Ų4837.1 Ų37.121%0.20921%0.212CC..EExtended strand (participates in β ladder)trans-112.9130.5169.6-75.5176.1-179176.60110.3Y34 F35 T36 I37 F69 N103 A128Y34-K67 HydrophobicContact CD1-CD 4.2Å; Y34-K67 HydrophobicContact CD1-CG 3.87Å; Y34-K67 HydrophobicContact CG-CD 4.05Å; Y34-K67 HydrophobicContact CG-CG 4.17Å; F35-K67 PolarHBondContact O-N 2.96Å; T36-K67 CarbonylContact C-O 3.34Å; T36-K67 WeakPolarHBondContact CA-O 3.5Å; T36-K67 HydrophobicContact CG2-CB 4.11Å; I37-K67 PolarHBondContact N-O 3.16Å; K67-F69 HydrophobicContact CB-CE2 4.18Å; K67-N103 CarbonylContact C-O 3.6Å; K67-N103 WeakPolarHBondContact CA-O 3.49Å; K67-N103 HydrophobicContact CB-CB 4.47Å; K67-N103 VanDerWaalsContact CE-OD1 3.3Å; K67-N103 WeakPolarHBondContact CE-OD1 3.33Å; K67-N103 HydrophobicContact CG-CB 3.75Å; K67-A128 HydrophobicContact CD-CB 4.28Å
68T98.9Very high98.2Very high0 Ų032.1 Ų32.10%020%0.202CC..EExtended strand (participates in β ladder)trans-111141.3-176.963.60000111.5I37 L39 V66 F94 I99 N103 V104 H105I37-T68 HydrophobicContact CG2-CG2 3.68Å; I37-T68 CarbonylContact O-C 3.52Å; I37-T68 WeakPolarHBondContact O-CA 3.48Å; L39-T68 HydrophobicContact CD1-CG2 3.63Å; V66-T68 HydrophobicContact CG1-CG2 4.22Å; T68-F94 HydrophobicContact CG2-CE1 3.96Å; T68-F94 HydrophobicContact CG2-CZ 4.36Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.49Å; T68-I99 HydrophobicContact CG2-CD1 3.44Å; T68-I99 VanDerWaalsContact CG2-CD1 3.44Å; T68-N103 PolarHBondContact N-O 3.22Å; T68-V104 WeakPolarHBondContact OG1-CA 3.3Å; T68-H105 WeakPolarHBondContact O-CA 3.43Å; T68-H105 VanDerWaalsContact O-CB 3.25Å; T68-H105 WeakPolarHBondContact O-CB 3.32Å; T68-H105 PolarHBondContact O-CD2 2.89Å; T68-H105 VanDerWaalsContact O-CD2 3.27Å; T68-H105 PolarHBondContact O-N 2.91Å
69F98.9Very high98Very high2 Ų232.1 Ų32.11%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-130.7109.7175.7-66.8-93.1000109.3T36 I37 G38 L39 K67 H105 F121 K124 I125 A128 I131T36-F69 HydrophobicContact CG2-CE2 4.27Å; I37-F69 PolarHBondContact O-N 3.44Å; G38-F69 CarbonylContact C-O 3.57Å; G38-F69 VanDerWaalsContact CA-O 3.22Å; G38-F69 WeakPolarHBondContact CA-O 3.35Å; L39-F69 PolarHBondContact N-O 2.94Å; K67-F69 HydrophobicContact CB-CE2 4.18Å; F69-H105 WeakPolarHBondContact CA-O 3.41Å; F69-H105 HydrophobicContact CD1-CB 3.66Å; F69-H105 AromaticContact CD1-CD2 3.86Å; F69-H105 HydrophobicContact CE1-CB 3.88Å; F69-H105 AromaticContact CE1-CD2 3.36Å; F69-H105 WeakPolarHBondContact CE1-CD2 3.46Å; F69-H105 AromaticContact CE1-CG 3.72Å; F69-H105 AromaticContact CE2-CD2 3.79Å; F69-H105 HydrophobicContact CG-CB 4.29Å; F69-H105 AromaticContact CZ-CD2 3.32Å; F69-H105 WeakPolarHBondContact CZ-CD2 3.43Å; F69-H105 AromaticContact CZ-NE2 3.91Å; F69-F121 HydrophobicContact CB-CE1 4.38Å; F69-F121 HydrophobicContact CB-CZ 4.17Å; F69-F121 HydrophobicContact CD1-CE1 4.18Å; F69-F121 HydrophobicContact CD1-CE2 4.49Å; F69-F121 AromaticContact CD1-CZ 3.98Å; F69-F121 HydrophobicContact CD1-CZ 3.98Å; F69-K124 HydrophobicContact CE1-CB 3.98Å; F69-I125 HydrophobicContact CD1-CD1 4.31Å; F69-I125 HydrophobicContact CD1-CG1 3.45Å; F69-I125 VanDerWaalsContact CD1-CG1 3.45Å; F69-I125 HydrophobicContact CE1-CB 4.39Å; F69-I125 HydrophobicContact CE1-CG1 3.62Å; F69-I125 HydrophobicContact CG-CG1 4Å; F69-I125 HydrophobicContact CZ-CG1 4.31Å; F69-A128 HydrophobicContact CE2-CB 4.02Å; F69-A128 HydrophobicContact CZ-CB 3.78Å; F69-I131 HydrophobicContact CB-CD1 4.04Å; F69-I131 HydrophobicContact CD2-CD1 3.38Å; F69-I131 HydrophobicContact CE2-CD1 3.97Å; F69-I131 HydrophobicContact CG-CD1 3.81Å
70N98.8Very high98Very high0 Ų035.2 Ų35.20%020%0.195CC..EExtended strand (participates in β ladder)trans-75148.4177.5-8875.7000112.3L39 D72 M89 H105 I106 F121L39-N70 WeakPolarHBondContact O-CA 3.44Å; L39-N70 PolarHBondContact O-ND2 3.3Å; N70-D72 VanDerWaalsContact C-N 3.33Å; N70-D72 PolarHBondContact O-N 3.4Å; N70-M89 WeakPolarHBondContact ND2-CG 3.4Å; N70-M89 PolarHBondContact ND2-SD 3.33Å; N70-H105 PolarHBondContact N-O 3.27Å; N70-I106 HydrophobicContact CB-CB 4.31Å; N70-I106 HydrophobicContact CB-CG1 3.95Å; N70-I106 HydrophobicContact CB-CG2 4.15Å; N70-F121 WeakPolarHBondContact O-CZ 3.43Å
71M98.4Very high97.9Very high11 Ų1134.3 Ų34.35%0.05419%0.19CC..SBendtrans-65-34.4-177.7-65.6-166.6-4500114.2L39 P40 F134 I144 A145 T187 V188L39-M71 PolarHBondContact O-N 3Å; L39-M71 VanDerWaalsContact O-N 3.13Å; P40-M71 HydrophobicContact CB-CE 3.47Å; P40-M71 VanDerWaalsContact CB-CE 3.47Å; P40-M71 HydrophobicContact CB-SD 4.01Å; M71-F134 HydrophobicContact CG-CE1 3.42Å; M71-F134 VanDerWaalsContact CG-CE1 3.42Å; M71-F134 HydrophobicContact CG-CZ 3.75Å; M71-F134 HydrophobicContact SD-CE1 3.87Å; M71-I144 HydrophobicContact SD-CD1 4.32Å; M71-A145 HydrophobicContact CB-CB 3.81Å; M71-A145 HydrophobicContact CE-CB 4.27Å; M71-A145 HydrophobicContact CG-CB 4.36Å; M71-A145 HydrophobicContact SD-CB 4.1Å; M71-T187 CarbonylContact O-C 3.57Å; M71-T187 WeakPolarHBondContact O-CA 3.47Å; M71-T187 PolarHBondContact O-OG1 3.29Å; M71-V188 HydrophobicContact CB-CG2 4.26Å; M71-V188 WeakPolarHBondContact O-CG2 3.38Å; M71-V188 PolarHBondContact O-N 3.4Å
72D98.4Very high97.8Very high4 Ų438.5 Ų38.52%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-162.4164.8-164.830.452000111.9N70 Y85 A145 F146 L186N70-D72 VanDerWaalsContact C-N 3.33Å; N70-D72 PolarHBondContact O-N 3.4Å; D72-Y85 HydrophobicContact CB-CE2 4.49Å; D72-Y85 WeakPolarHBondContact O-CD2 3.43Å; D72-Y85 VanDerWaalsContact OD1-CD2 3.26Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.45Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.36Å; D72-A145 VanDerWaalsContact OD2-CA 3.32Å; D72-A145 WeakPolarHBondContact OD2-CA 3.25Å; D72-A145 WeakPolarHBondContact OD2-CB 3.47Å; D72-F146 HydrophobicContact CB-CD2 3.5Å; D72-F146 HydrophobicContact CB-CE2 3.83Å; D72-L186 CarbonylContact C-O 3.58Å; D72-L186 WeakPolarHBondContact CA-O 3.24Å; D72-L186 WeakPolarHBondContact CB-O 3.29Å
73E98.4Very high97.7Very high2 Ų239.2 Ų39.21%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-151.2144.9165.4179.855.8-97.800109.3Y85 H86 I106 L107 A185 L186E73-Y85 PolarHBondContact OE1-N 3.42Å; E73-Y85 VanDerWaalsContact OE1-N 3.12Å; E73-Y85 VanDerWaalsContact OE2-CA 3.28Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.33Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.49Å; E73-Y85 PolarHBondContact OE2-N 3.38Å; E73-H86 IonicContact OE2-CD2 2.7Å; E73-H86 PolarHBondContact OE2-CD2 3.22Å; E73-H86 IonicContact OE2-CG 2.66Å; E73-H86 PolarHBondContact OE2-N 3.02Å; E73-H86 IonicContact OE2-NE2 2.66Å; E73-I106 HydrophobicContact CB-CG2 4.28Å; E73-L107 HydrophobicContact CB-CB 4.06Å; E73-L107 WeakPolarHBondContact CB-O 3.46Å; E73-L107 WeakPolarHBondContact CG-O 3.29Å; E73-A185 CarbonylContact O-C 3.42Å; E73-A185 VanDerWaalsContact O-CA 3.29Å; E73-A185 WeakPolarHBondContact O-CA 3.44Å; E73-A185 WeakPolarHBondContact O-CB 3.33Å; E73-L186 PolarHBondContact N-O 3.38Å; E73-L186 PolarHBondContact O-N 2.91Å
74Y98Very high97.7Very high3 Ų339 Ų391%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-67140.9174.4-70.4-61.9000111.8Y85 G109 F146 L162 N170 F174 P182Y74-Y85 HydrophobicContact CD2-CE1 4.39Å; Y74-Y85 HydrophobicContact CE2-CD1 4.31Å; Y74-Y85 AromaticContact CE2-CE1 3.72Å; Y74-Y85 HydrophobicContact CE2-CE1 3.72Å; Y74-Y85 HydrophobicContact CE2-CE2 4.49Å; Y74-Y85 AromaticContact CE2-CZ 3.82Å; Y74-Y85 PolarHBondContact OH-OH 3Å; Y74-G109 WeakPolarHBondContact O-CA 3.41Å; Y74-F146 HydrophobicContact CE1-CE2 4.29Å; Y74-F146 AromaticContact CE1-CZ 3.9Å; Y74-F146 HydrophobicContact CE1-CZ 3.9Å; Y74-L162 HydrophobicContact CD1-CD1 4.19Å; Y74-L162 HydrophobicContact CE1-CD1 3.76Å; Y74-N170 PolarHBondContact OH-ND2 3.25Å; Y74-F174 HydrophobicContact CD2-CZ 4.35Å; Y74-F174 HydrophobicContact CE2-CE2 4.19Å; Y74-F174 AromaticContact CE2-CZ 3.91Å; Y74-F174 HydrophobicContact CE2-CZ 3.91Å; Y74-P182 HydrophobicContact CD1-CB 3.72Å; Y74-P182 HydrophobicContact CD1-CG 3.91Å; Y74-P182 HydrophobicContact CD2-CG 4.4Å; Y74-P182 HydrophobicContact CG-CB 4Å; Y74-P182 HydrophobicContact CG-CG 3.79Å
75I98.1Very high97.6Very high28 Ų2836.1 Ų36.114%0.14420%0.2CC..THydrogen-bonded Turntrans-84.8135.7174.3-68163.3000110.1G109 L114 V159 T184 A185 L186I75-G109 VanDerWaalsContact CA-O 3.26Å; I75-G109 WeakPolarHBondContact CA-O 3.43Å; I75-L114 HydrophobicContact CD1-CD1 3.98Å; I75-L114 HydrophobicContact CD1-CD2 4.2Å; I75-L114 HydrophobicContact CG1-CD2 4.1Å; I75-L114 HydrophobicContact CG2-CD1 4.33Å; I75-V159 HydrophobicContact CD1-CB 4.35Å; I75-V159 HydrophobicContact CD1-CG1 3.71Å; I75-V159 HydrophobicContact CD1-CG2 4Å; I75-T184 PolarHBondContact N-O 2.8Å; I75-A185 VanDerWaalsContact CD1-C 3.47Å; I75-L186 HydrophobicContact CD1-CG 4.19Å; I75-L186 HydrophobicContact CG1-CG 4.15Å
76G96.1Very high97.6Very high60 Ų6035.8 Ų35.862%0.61920%0.199SC*.THydrogen-bonded Turntrans79.810.7172.200000115.6G109 N110G76-G109 PolarHBondContact N-O 3.27Å; G76-N110 WeakPolarHBondContact CA-OD1 3.38Å
77I95.7Very high97.6Very high12 Ų1236.6 Ų36.66%0.06221%0.205CC..SBendtrans-102.9133.8172.3-159.1174.7000110.3K79 H81 N110 F174 P182I77-K79 PolarHBondContact O-N 3.33Å; I77-H81 HydrophobicContact CD1-CB 3.96Å; I77-H81 WeakPolarHBondContact CD1-ND1 3.41Å; I77-H81 HydrophobicContact CG1-CB 3.69Å; I77-N110 PolarHBondContact N-OD1 3.09Å; I77-N110 PolarHBondContact O-ND2 3.35Å; I77-N110 PolarHBondContact O-OD1 3.3Å; I77-F174 HydrophobicContact CD1-CE1 3.7Å; I77-F174 HydrophobicContact CD1-CZ 4.16Å; I77-P182 HydrophobicContact CB-CG 4.25Å; I77-P182 HydrophobicContact CD1-CG 4.34Å
78P96.7Very high97.5Very high68 Ų6836 Ų3644%0.44220%0.202SC..  trans-54.8139.2177.7-26.234000112.3N80 H81P78-N80 WeakPolarHBondContact CB-OD1 3.48Å; P78-N80 PolarHBondContact O-N 2.44Å; P78-N80 VanDerWaalsContact O-N 3.12Å; P78-H81 HydrophobicContact CB-CB 4.25Å; P78-H81 WeakPolarHBondContact O-CB 3.37Å; P78-H81 PolarHBondContact O-N 2.7Å
79K96.1Very high97.5Very high89 Ų8936 Ų3639%0.38720%0.202SC..THydrogen-bonded Turntrans-58.7-26.6179.8-68-173.8-179.1175.10114.1I77 S84 H86 S87 D108I77-K79 PolarHBondContact O-N 3.33Å; K79-S84 PolarHBondContact O-OG 3.08Å; K79-H86 HydrophobicContact CB-CB 4.34Å; K79-H86 WeakPolarHBondContact O-CB 3.34Å; K79-S87 PolarHBondContact O-OG 3.28Å; K79-D108 WeakPolarHBondContact CE-OD1 3.35Å; K79-D108 WeakPolarHBondContact CE-OD2 3.32Å; K79-D108 IonicContact NZ-OD1 3.31Å; K79-D108 PolarHBondContact NZ-OD1 2.66Å; K79-D108 IonicContact NZ-OD2 3.77Å; K79-D108 PolarHBondContact NZ-OD2 2.85Å
80N96.5Very high97.5Very high134 Ų13442.6 Ų42.672%0.71723%0.228SC*.THydrogen-bonded Turntrans-93.42.6176.367.8-21000113.1P78 S87P78-N80 WeakPolarHBondContact CB-OD1 3.48Å; P78-N80 PolarHBondContact O-N 2.44Å; P78-N80 VanDerWaalsContact O-N 3.12Å; N80-S87 WeakPolarHBondContact CA-OG 3.22Å
81H96.9Very high97.4Very high65 Ų6545.1 Ų45.130%0.30125%0.245SC..SBendtrans-64.8134.4174-174.3-85.3000109I77 P78 Q83 S84 S87I77-H81 HydrophobicContact CD1-CB 3.96Å; I77-H81 WeakPolarHBondContact CD1-ND1 3.41Å; I77-H81 HydrophobicContact CG1-CB 3.69Å; P78-H81 HydrophobicContact CB-CB 4.25Å; P78-H81 WeakPolarHBondContact O-CB 3.37Å; P78-H81 PolarHBondContact O-N 2.7Å; H81-Q83 PolarHBondContact ND1-N 3.45Å; H81-Q83 PolarHBondContact O-N 3.39Å; H81-S84 WeakPolarHBondContact O-CB 3.43Å; H81-S84 PolarHBondContact O-N 3.08Å; H81-S84 PolarHBondContact O-OG 3.41Å; H81-S87 WeakPolarHBondContact O-CB 3.38Å; H81-S87 PolarHBondContact O-OG 3.24Å
82P96Very high97.4Very high95 Ų9547 Ų4762%0.61726%0.255SS*.THydrogen-bonded Turntrans-54.4-27.6-174.8-2834.4000115.2
83Q96Very high97.4Very high64 Ų6447 Ų4730%0.29926%0.255SS..THydrogen-bonded Turntrans-98.62179.7-52-56.5-20.100115.1H81 F173 F174H81-Q83 PolarHBondContact ND1-N 3.45Å; H81-Q83 PolarHBondContact O-N 3.39Å; Q83-F173 HydrophobicContact CG-CB 4.41Å; Q83-F173 WeakPolarHBondContact CG-O 3.26Å; Q83-F173 PolarHBondContact NE2-O 2.75Å; Q83-F173 VanDerWaalsContact NE2-O 3.09Å; Q83-F174 HydrophobicContact CB-CD1 4.43Å; Q83-F174 HydrophobicContact CB-CE1 3.79Å; Q83-F174 HydrophobicContact CB-CE2 4.24Å; Q83-F174 HydrophobicContact CB-CZ 3.67Å; Q83-F174 HydrophobicContact CG-CD1 4.46Å; Q83-F174 HydrophobicContact CG-CE1 4.29Å; Q83-F174 HydrophobicContact CG-CZ 4.42Å
84S97.7Very high97.4Very high0 Ų047.8 Ų47.80%026%0.258CS..SBendtrans-66.3150167.763.70000109.8K79 H81 H86 S87 Y88K79-S84 PolarHBondContact O-OG 3.08Å; H81-S84 WeakPolarHBondContact O-CB 3.43Å; H81-S84 PolarHBondContact O-N 3.08Å; H81-S84 PolarHBondContact O-OG 3.41Å; S84-H86 VanDerWaalsContact C-N 3.3Å; S84-S87 PolarHBondContact O-N 3.06Å; S84-S87 WeakPolarHBondContact OG-CB 3.49Å; S84-S87 PolarHBondContact OG-N 3.26Å; S84-S87 VanDerWaalsContact OG-N 3.08Å; S84-S87 PolarHBondContact OG-OG 3.42Å; S84-Y88 PolarHBondContact O-N 3.05Å
85Y97.9Very high97.4Very high25 Ų2554.5 Ų54.510%0.09828%0.284CS..Hα-helixtrans-73-26176.5-65.9-14.6000112.3S41 D72 E73 Y74 Y88 M89 F146S41-Y85 WeakPolarHBondContact OG-CD1 3.34Å; S41-Y85 WeakPolarHBondContact OG-CD2 3.26Å; S41-Y85 WeakPolarHBondContact OG-CE1 3.47Å; S41-Y85 WeakPolarHBondContact OG-CE2 3.49Å; D72-Y85 HydrophobicContact CB-CE2 4.49Å; D72-Y85 WeakPolarHBondContact O-CD2 3.43Å; D72-Y85 VanDerWaalsContact OD1-CD2 3.26Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.45Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.36Å; E73-Y85 PolarHBondContact OE1-N 3.42Å; E73-Y85 VanDerWaalsContact OE1-N 3.12Å; E73-Y85 VanDerWaalsContact OE2-CA 3.28Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.33Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.49Å; E73-Y85 PolarHBondContact OE2-N 3.38Å; Y74-Y85 HydrophobicContact CD2-CE1 4.39Å; Y74-Y85 HydrophobicContact CE2-CD1 4.31Å; Y74-Y85 AromaticContact CE2-CE1 3.72Å; Y74-Y85 HydrophobicContact CE2-CE1 3.72Å; Y74-Y85 HydrophobicContact CE2-CE2 4.49Å; Y74-Y85 AromaticContact CE2-CZ 3.82Å; Y74-Y85 PolarHBondContact OH-OH 3Å; Y85-Y88 PolarHBondContact O-N 3.4Å; Y85-M89 WeakPolarHBondContact O-CB 3.45Å; Y85-M89 VanDerWaalsContact O-CG 3.27Å; Y85-M89 WeakPolarHBondContact O-CG 3.4Å; Y85-M89 PolarHBondContact O-N 3.26Å; Y85-F146 AromaticContact CE2-CE2 3.83Å; Y85-F146 HydrophobicContact CE2-CE2 3.83Å; Y85-F146 HydrophobicContact CE2-CZ 4.06Å
86H98.3Very high97.5Very high41 Ų4155.4 Ų55.419%0.1929%0.287CS..Hα-helixtrans-50.6-55.4162.2-78-85000111.7E73 K79 S84 Y90 I106 L107E73-H86 IonicContact OE2-CD2 2.7Å; E73-H86 PolarHBondContact OE2-CD2 3.22Å; E73-H86 IonicContact OE2-CG 2.66Å; E73-H86 PolarHBondContact OE2-N 3.02Å; E73-H86 IonicContact OE2-NE2 2.66Å; K79-H86 HydrophobicContact CB-CB 4.34Å; K79-H86 WeakPolarHBondContact O-CB 3.34Å; S84-H86 VanDerWaalsContact C-N 3.3Å; H86-Y90 WeakPolarHBondContact O-CB 3.29Å; H86-Y90 PolarHBondContact O-N 3.12Å; H86-Y90 VanDerWaalsContact O-N 3.09Å; H86-I106 WeakPolarHBondContact NE2-CG2 3.28Å; H86-L107 PolarHBondContact NE2-O 2.87Å
87S98Very high97.6Very high18 Ų1853.3 Ų53.313%0.12626%0.262CS..Hα-helixtrans-68.4-40.1-179.6-67.30000112.5K79 N80 H81 S84 M89 C91K79-S87 PolarHBondContact O-OG 3.28Å; N80-S87 WeakPolarHBondContact CA-OG 3.22Å; H81-S87 WeakPolarHBondContact O-CB 3.38Å; H81-S87 PolarHBondContact O-OG 3.24Å; S84-S87 PolarHBondContact O-N 3.06Å; S84-S87 WeakPolarHBondContact OG-CB 3.49Å; S84-S87 PolarHBondContact OG-N 3.26Å; S84-S87 VanDerWaalsContact OG-N 3.08Å; S84-S87 PolarHBondContact OG-OG 3.42Å; S87-M89 PolarHBondContact O-N 3.43Å; S87-C91 WeakPolarHBondContact O-CB 3.41Å; S87-C91 PolarHBondContact O-N 2.99Å; S87-C91 PolarHBondContact O-SG 3.3Å
88Y98Very high97.7Very high35 Ų3554.6 Ų54.614%0.13727%0.269CS..Hα-helixtrans-55.9-52.1175.8176-79.9000110.9G42 Y49 S84 Y85 C91 N92G42-Y88 PolarHBondContact O-OH 3.44Å; Y49-Y88 HydrophobicContact CD2-CE1 4.33Å; Y49-Y88 AromaticContact CE2-CE1 3.94Å; Y49-Y88 HydrophobicContact CE2-CE1 3.94Å; S84-Y88 PolarHBondContact O-N 3.05Å; Y85-Y88 PolarHBondContact O-N 3.4Å; Y88-C91 PolarHBondContact O-N 3.14Å; Y88-N92 WeakPolarHBondContact CD2-ND2 3.43Å; Y88-N92 VanDerWaalsContact O-CB 3.3Å; Y88-N92 WeakPolarHBondContact O-CB 3.25Å; Y88-N92 PolarHBondContact O-N 3.08Å; Y88-N92 PolarHBondContact O-ND2 3.22Å
89M98.6Very high97.8Very high0 Ų052.3 Ų52.30%025%0.253CS..Hα-helixtrans-68.8-41-174.9-69-57.4-64.300111.9L39 Y49 N70 Y85 S87 F93 F94 I106L39-M89 HydrophobicContact CB-CE 3.99Å; L39-M89 HydrophobicContact CD1-CE 3.7Å; L39-M89 HydrophobicContact CG-CE 4.48Å; Y49-M89 HydrophobicContact CE1-CE 4.14Å; Y49-M89 HydrophobicContact CE2-SD 4.39Å; N70-M89 WeakPolarHBondContact ND2-CG 3.4Å; N70-M89 PolarHBondContact ND2-SD 3.33Å; Y85-M89 WeakPolarHBondContact O-CB 3.45Å; Y85-M89 VanDerWaalsContact O-CG 3.27Å; Y85-M89 WeakPolarHBondContact O-CG 3.4Å; Y85-M89 PolarHBondContact O-N 3.26Å; S87-M89 PolarHBondContact O-N 3.43Å; M89-F93 HydrophobicContact CE-CD1 4.16Å; M89-F93 WeakPolarHBondContact O-CA 3.13Å; M89-F93 PolarHBondContact O-N 3.16Å; M89-F94 HydrophobicContact CB-CD2 3.72Å; M89-F94 HydrophobicContact CB-CE2 3.39Å; M89-F94 HydrophobicContact CB-CZ 4.03Å; M89-F94 HydrophobicContact CE-CE1 3.78Å; M89-F94 HydrophobicContact CE-CE2 3.99Å; M89-F94 HydrophobicContact CE-CZ 3.39Å; M89-F94 HydrophobicContact CG-CE2 4.13Å; M89-F94 HydrophobicContact CG-CZ 4.43Å; M89-F94 PolarHBondContact O-N 3.46Å; M89-I106 HydrophobicContact CB-CD1 4.05Å; M89-I106 HydrophobicContact CG-CD1 4.14Å
90Y98.4Very high98Very high140 Ų14052.9 Ų52.955%0.54926%0.257SS..Hα-helixtrans-61.9-49.1176.2-176.3-104.2000111.9H86 R95H86-Y90 WeakPolarHBondContact O-CB 3.29Å; H86-Y90 PolarHBondContact O-N 3.12Å; H86-Y90 VanDerWaalsContact O-N 3.09Å; Y90-R95 HydrophobicContact CD1-CB 4.44Å; Y90-R95 HydrophobicContact CD2-CB 4.19Å; Y90-R95 HydrophobicContact CE1-CB 4.11Å; Y90-R95 HydrophobicContact CE2-CB 3.82Å; Y90-R95 HydrophobicContact CG-CB 4.49Å; Y90-R95 WeakPolarHBondContact O-CB 3.4Å; Y90-R95 WeakPolarHBondContact O-CD 3.31Å; Y90-R95 WeakPolarHBondContact O-CG 3.33Å; Y90-R95 PolarHBondContact O-N 3.22Å; Y90-R95 VanDerWaalsContact O-N 3.17Å
91C97.9Very high98Very high53 Ų5350.7 Ų50.736%0.35826%0.257SS..Hα-helixtrans-70.1-37.2-175.4-73.50000113.7S87 Y88 R95 H96S87-C91 WeakPolarHBondContact O-CB 3.41Å; S87-C91 PolarHBondContact O-N 2.99Å; S87-C91 PolarHBondContact O-SG 3.3Å; Y88-C91 PolarHBondContact O-N 3.14Å; C91-R95 PolarHBondContact O-NE 2.88Å; C91-H96 PolarHBondContact O-NE2 3.39Å
92N98.1Very high98.1Very high52 Ų5251.7 Ų51.728%0.27828%0.276SS..Hα-helixtrans-94.7-21.2-173.9-64.4-59.8000113.5L46 Y88L46-N92 HydrophobicContact CD1-CB 4.09Å; L46-N92 WeakPolarHBondContact CD1-OD1 3.49Å; Y88-N92 WeakPolarHBondContact CD2-ND2 3.43Å; Y88-N92 VanDerWaalsContact O-CB 3.3Å; Y88-N92 WeakPolarHBondContact O-CB 3.25Å; Y88-N92 PolarHBondContact O-N 3.08Å; Y88-N92 PolarHBondContact O-ND2 3.22Å
93F98.7Very high98.2Very high3 Ų347.9 Ų47.91%0.01325%0.251CS..THydrogen-bonded Turntrans-138.3-66.6-173.8-168.5-143.2000113.9L39 Y49 L52 V53 F63 M89 R95 H96 I97L39-F93 HydrophobicContact CD1-CD1 4.12Å; L39-F93 HydrophobicContact CD1-CE1 3.86Å; Y49-F93 HydrophobicContact CD1-CB 3.86Å; Y49-F93 AromaticContact CD1-CD1 3.58Å; Y49-F93 HydrophobicContact CD1-CD1 3.58Å; Y49-F93 AromaticContact CD1-CD2 3.8Å; Y49-F93 HydrophobicContact CD1-CD2 3.8Å; Y49-F93 HydrophobicContact CD1-CE1 4.01Å; Y49-F93 HydrophobicContact CD1-CE2 4.22Å; Y49-F93 AromaticContact CD1-CG 3.48Å; Y49-F93 HydrophobicContact CD1-CG 3.48Å; Y49-F93 VanDerWaalsContact CD1-CG 3.48Å; Y49-F93 HydrophobicContact CD1-CZ 4.31Å; Y49-F93 HydrophobicContact CE1-CB 4.37Å; Y49-F93 AromaticContact CE1-CD1 3.6Å; Y49-F93 HydrophobicContact CE1-CD1 3.6Å; Y49-F93 AromaticContact CE1-CE1 3.96Å; Y49-F93 HydrophobicContact CE1-CE1 3.96Å; Y49-F93 AromaticContact CE1-CG 3.98Å; Y49-F93 HydrophobicContact CE1-CG 3.98Å; Y49-F93 HydrophobicContact CG-CB 4.17Å; Y49-F93 HydrophobicContact CG-CD2 4.49Å; Y49-F93 HydrophobicContact CG-CG 4.23Å; L52-F93 HydrophobicContact CB-CE2 3.75Å; L52-F93 HydrophobicContact CB-CZ 4.25Å; L52-F93 HydrophobicContact CD1-CE2 4.16Å; L52-F93 HydrophobicContact CD1-CZ 3.93Å; V53-F93 HydrophobicContact CG2-CD2 3.91Å; V53-F93 HydrophobicContact CG2-CE2 4.38Å; F63-F93 HydrophobicContact CD1-CZ 4.29Å; F63-F93 HydrophobicContact CE1-CE2 4.46Å; F63-F93 AromaticContact CE1-CZ 3.67Å; F63-F93 HydrophobicContact CE1-CZ 3.67Å; F63-F93 HydrophobicContact CE2-CE2 4.45Å; F63-F93 HydrophobicContact CE2-CZ 4.4Å; F63-F93 HydrophobicContact CZ-CE2 4.08Å; F63-F93 AromaticContact CZ-CZ 3.73Å; F63-F93 HydrophobicContact CZ-CZ 3.73Å; M89-F93 HydrophobicContact CE-CD1 4.16Å; M89-F93 WeakPolarHBondContact O-CA 3.13Å; M89-F93 PolarHBondContact O-N 3.16Å; F93-R95 VanDerWaalsContact C-N 3.35Å; F93-R95 PolarHBondContact O-N 3.26Å; F93-H96 WeakPolarHBondContact O-CB 3.31Å; F93-H96 PolarHBondContact O-N 3.46Å; F93-I97 HydrophobicContact CD1-CD1 4.24Å; F93-I97 HydrophobicContact CD2-CD1 4.01Å; F93-I97 HydrophobicContact CD2-CG2 4.25Å; F93-I97 HydrophobicContact CE1-CD1 3.9Å; F93-I97 HydrophobicContact CE2-CD1 3.65Å; F93-I97 HydrophobicContact CE2-CG2 3.95Å; F93-I97 HydrophobicContact CG-CD1 4.28Å; F93-I97 HydrophobicContact CZ-CD1 3.58Å
94F98.6Very high98.3Very high18 Ų1846.5 Ų46.58%0.07925%0.247CC..G310 helixtrans-63.9-32.8-163.4-58.4-35000114.7L39 T68 M89 H96 I97 I99 V104 I106L39-F94 HydrophobicContact CD1-CE1 4.04Å; L39-F94 HydrophobicContact CD1-CZ 4.26Å; T68-F94 HydrophobicContact CG2-CE1 3.96Å; T68-F94 HydrophobicContact CG2-CZ 4.36Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.49Å; M89-F94 HydrophobicContact CB-CD2 3.72Å; M89-F94 HydrophobicContact CB-CE2 3.39Å; M89-F94 HydrophobicContact CB-CZ 4.03Å; M89-F94 HydrophobicContact CE-CE1 3.78Å; M89-F94 HydrophobicContact CE-CE2 3.99Å; M89-F94 HydrophobicContact CE-CZ 3.39Å; M89-F94 HydrophobicContact CG-CE2 4.13Å; M89-F94 HydrophobicContact CG-CZ 4.43Å; M89-F94 PolarHBondContact O-N 3.46Å; F94-H96 PolarHBondContact O-N 3.13Å; F94-I97 HydrophobicContact CD1-CD1 4.37Å; F94-I99 HydrophobicContact CB-CG2 4.19Å; F94-I99 HydrophobicContact CD1-CG2 4.12Å; F94-I99 HydrophobicContact CG-CG2 4.44Å; F94-V104 HydrophobicContact CD1-CG2 4.34Å; F94-V104 HydrophobicContact CD2-CG1 3.65Å; F94-V104 HydrophobicContact CD2-CG2 4.15Å; F94-V104 HydrophobicContact CE1-CG2 4.44Å; F94-V104 HydrophobicContact CE2-CB 4.37Å; F94-V104 HydrophobicContact CE2-CG1 3.24Å; F94-V104 HydrophobicContact CE2-CG2 4.21Å; F94-V104 HydrophobicContact CG-CG2 4.21Å; F94-V104 HydrophobicContact CZ-CG1 3.84Å; F94-V104 HydrophobicContact CZ-CG2 4.37Å; F94-I106 HydrophobicContact CE2-CD1 4.15Å
95R98.1Very high98.4Very high144 Ų14448.2 Ų48.254%0.54326%0.255SS..G310 helixtrans-72.6-7.9177.880.2-175.8-177.1161.13114.4Y90 C91 F93Y90-R95 HydrophobicContact CD1-CB 4.44Å; Y90-R95 HydrophobicContact CD2-CB 4.19Å; Y90-R95 HydrophobicContact CE1-CB 4.11Å; Y90-R95 HydrophobicContact CE2-CB 3.82Å; Y90-R95 HydrophobicContact CG-CB 4.49Å; Y90-R95 WeakPolarHBondContact O-CB 3.4Å; Y90-R95 WeakPolarHBondContact O-CD 3.31Å; Y90-R95 WeakPolarHBondContact O-CG 3.33Å; Y90-R95 PolarHBondContact O-N 3.22Å; Y90-R95 VanDerWaalsContact O-N 3.17Å; C91-R95 PolarHBondContact O-NE 2.88Å; F93-R95 VanDerWaalsContact C-N 3.35Å; F93-R95 PolarHBondContact O-N 3.26Å
96H98.7Very high98.4Very high48 Ų4848.1 Ų48.122%0.22226%0.256CS..G310 helixtrans-108.80.4-173.1-56.9-76.8000113.6V53 Y56 C91 F93 F94V53-H96 HydrophobicContact CB-CB 4.42Å; V53-H96 HydrophobicContact CG1-CB 3.73Å; V53-H96 HydrophobicContact CG2-CB 3.73Å; Y56-H96 WeakPolarHBondContact CD1-O 3.44Å; Y56-H96 VanDerWaalsContact CE1-O 3.29Å; Y56-H96 WeakPolarHBondContact CE1-O 3.25Å; C91-H96 PolarHBondContact O-NE2 3.39Å; F93-H96 WeakPolarHBondContact O-CB 3.31Å; F93-H96 PolarHBondContact O-N 3.46Å; F94-H96 PolarHBondContact O-N 3.13Å
97I98.8Very high98.4Very high15 Ų1546.2 Ų46.28%0.07725%0.247CC..SBendtrans-130.2171.2-176.865.6-177.2000110.1V53 Y56 F63 F93 F94 I99V53-I97 HydrophobicContact CG2-CG2 4.05Å; Y56-I97 HydrophobicContact CD1-CB 4.29Å; Y56-I97 HydrophobicContact CD1-CG2 4.15Å; Y56-I97 HydrophobicContact CG-CB 4.28Å; Y56-I97 HydrophobicContact CG-CG2 4.15Å; F63-I97 HydrophobicContact CB-CD1 4.06Å; F63-I97 HydrophobicContact CB-CG1 4.48Å; F63-I97 HydrophobicContact CD1-CD1 4.13Å; F63-I97 HydrophobicContact CD2-CB 3.79Å; F63-I97 HydrophobicContact CD2-CD1 3.86Å; F63-I97 HydrophobicContact CD2-CG1 4.29Å; F63-I97 HydrophobicContact CD2-CG2 3.96Å; F63-I97 HydrophobicContact CE2-CB 4.32Å; F63-I97 HydrophobicContact CE2-CD1 4.32Å; F63-I97 HydrophobicContact CE2-CG2 3.96Å; F63-I97 HydrophobicContact CG-CB 4.41Å; F63-I97 HydrophobicContact CG-CD1 3.75Å; F63-I97 HydrophobicContact CG-CG1 4.45Å; F93-I97 HydrophobicContact CD1-CD1 4.24Å; F93-I97 HydrophobicContact CD2-CD1 4.01Å; F93-I97 HydrophobicContact CD2-CG2 4.25Å; F93-I97 HydrophobicContact CE1-CD1 3.9Å; F93-I97 HydrophobicContact CE2-CD1 3.65Å; F93-I97 HydrophobicContact CE2-CG2 3.95Å; F93-I97 HydrophobicContact CG-CD1 4.28Å; F93-I97 HydrophobicContact CZ-CD1 3.58Å; F94-I97 HydrophobicContact CD1-CD1 4.37Å; I97-I99 VanDerWaalsContact C-N 3.29Å; I97-I99 HydrophobicContact CD1-CB 3.97Å; I97-I99 HydrophobicContact CD1-CG2 3.82Å; I97-I99 HydrophobicContact CG1-CB 4.02Å; I97-I99 HydrophobicContact CG1-CG2 3.72Å; I97-I99 PolarHBondContact O-N 3.44Å
98D98.7Very high98.4Very high40 Ų4047 Ų4721%0.21425%0.25CS..  trans-87.819.9-17961-18.6000114.4Y56 S62 F63 Q100Y56-D98 HydrophobicContact CD2-CB 4.47Å; Y56-D98 HydrophobicContact CE2-CB 3.55Å; Y56-D98 WeakPolarHBondContact CE2-OD1 3.37Å; S62-D98 WeakPolarHBondContact CB-OD2 3.28Å; S62-D98 PolarHBondContact OG-OD2 2.86Å; F63-D98 WeakPolarHBondContact CA-OD1 3.36Å; F63-D98 WeakPolarHBondContact CB-OD1 3.33Å; F63-D98 PolarHBondContact N-OD1 2.75Å; D98-Q100 PolarHBondContact O-N 3.21Å
99I98.8Very high98.4Very high19 Ų1945.5 Ų45.510%0.09724%0.244CC..  trans-65.8134.4178-164.3166.8000111F63 T68 F94 I97 V104F63-I99 HydrophobicContact CB-CB 3.94Å; F63-I99 HydrophobicContact CB-CG1 4.46Å; T68-I99 HydrophobicContact CG2-CD1 3.44Å; T68-I99 VanDerWaalsContact CG2-CD1 3.44Å; F94-I99 HydrophobicContact CB-CG2 4.19Å; F94-I99 HydrophobicContact CD1-CG2 4.12Å; F94-I99 HydrophobicContact CG-CG2 4.44Å; I97-I99 VanDerWaalsContact C-N 3.29Å; I97-I99 HydrophobicContact CD1-CB 3.97Å; I97-I99 HydrophobicContact CD1-CG2 3.82Å; I97-I99 HydrophobicContact CG1-CB 4.02Å; I97-I99 HydrophobicContact CG1-CG2 3.72Å; I97-I99 PolarHBondContact O-N 3.44Å; I99-V104 HydrophobicContact CD1-CG2 3.88Å; I99-V104 HydrophobicContact CG1-CG2 4.18Å; I99-V104 HydrophobicContact CG2-CG2 4.08Å
100Q98.3Very high98.4Very high102 Ų10249 Ų4948%0.47726%0.263SS..  trans-73133.3175.7-61.2-61-3200110.5D98 A102 N103D98-Q100 PolarHBondContact O-N 3.21Å; Q100-A102 PolarHBondContact O-N 3.48Å; Q100-A102 VanDerWaalsContact O-N 3.13Å; Q100-N103 HydrophobicContact CB-CB 4.49Å; Q100-N103 WeakPolarHBondContact O-CA 3.46Å; Q100-N103 WeakPolarHBondContact O-CB 3.46Å; Q100-N103 PolarHBondContact O-N 3.29Å
101A97.9Very high98.3Very high88 Ų8844 Ų4473%0.72725%0.248SC*.G310 helixtrans-57.2-33.6-177.700000113.3N103 V104A101-N103 PolarHBondContact O-N 2.97Å; A101-V104 PolarHBondContact O-N 3.45Å
102A98Very high98.2Very high85 Ų8552.7 Ų52.770%0.70228%0.275SS*.G310 helixtrans-66.7-17.7176.900000113.9Q100 H105Q100-A102 PolarHBondContact O-N 3.48Å; Q100-A102 VanDerWaalsContact O-N 3.13Å; A102-H105 PolarHBondContact O-CE1 3.38Å; A102-H105 VanDerWaalsContact O-CE1 3.31Å
103N98.5Very high98.2Very high15 Ų1554.1 Ų54.18%0.0828%0.283CS..G310 helixtrans-96.64.9179.1-69.2-24.4000112.8Y34 V66 K67 T68 Q100 A101Y34-N103 VanDerWaalsContact CE1-ND2 3.29Å; Y34-N103 WeakPolarHBondContact CE1-ND2 3.49Å; V66-N103 VanDerWaalsContact O-CB 3.29Å; V66-N103 WeakPolarHBondContact O-CB 3.38Å; K67-N103 CarbonylContact C-O 3.6Å; K67-N103 WeakPolarHBondContact CA-O 3.49Å; K67-N103 HydrophobicContact CB-CB 4.47Å; K67-N103 VanDerWaalsContact CE-OD1 3.3Å; K67-N103 WeakPolarHBondContact CE-OD1 3.33Å; K67-N103 HydrophobicContact CG-CB 3.75Å; T68-N103 PolarHBondContact N-O 3.22Å; Q100-N103 HydrophobicContact CB-CB 4.49Å; Q100-N103 WeakPolarHBondContact O-CA 3.46Å; Q100-N103 WeakPolarHBondContact O-CB 3.46Å; Q100-N103 PolarHBondContact O-N 3.29Å; A101-N103 PolarHBondContact O-N 2.97Å
104V98.8Very high98.1Very high36 Ų3656 Ų5622%0.21829%0.293CS..EExtended strand (participates in β ladder)trans-100121.4176174.70000109.8T68 F94 I99 A101 I106T68-V104 WeakPolarHBondContact OG1-CA 3.3Å; F94-V104 HydrophobicContact CD1-CG2 4.34Å; F94-V104 HydrophobicContact CD2-CG1 3.65Å; F94-V104 HydrophobicContact CD2-CG2 4.15Å; F94-V104 HydrophobicContact CE1-CG2 4.44Å; F94-V104 HydrophobicContact CE2-CB 4.37Å; F94-V104 HydrophobicContact CE2-CG1 3.24Å; F94-V104 HydrophobicContact CE2-CG2 4.21Å; F94-V104 HydrophobicContact CG-CG2 4.21Å; F94-V104 HydrophobicContact CZ-CG1 3.84Å; F94-V104 HydrophobicContact CZ-CG2 4.37Å; I99-V104 HydrophobicContact CD1-CG2 3.88Å; I99-V104 HydrophobicContact CG1-CG2 4.18Å; I99-V104 HydrophobicContact CG2-CG2 4.08Å; A101-V104 PolarHBondContact O-N 3.45Å; V104-I106 HydrophobicContact CG1-CG1 4.3Å
105H98.8Very high98.1Very high36 Ų3663 Ų6317%0.16733%0.326CS..EExtended strand (participates in β ladder)trans-123.3113.9-179.5-49.8-63.4000111.1T68 F69 N70 A102 F121T68-H105 WeakPolarHBondContact O-CA 3.43Å; T68-H105 VanDerWaalsContact O-CB 3.25Å; T68-H105 WeakPolarHBondContact O-CB 3.32Å; T68-H105 PolarHBondContact O-CD2 2.89Å; T68-H105 VanDerWaalsContact O-CD2 3.27Å; T68-H105 PolarHBondContact O-N 2.91Å; F69-H105 WeakPolarHBondContact CA-O 3.41Å; F69-H105 HydrophobicContact CD1-CB 3.66Å; F69-H105 AromaticContact CD1-CD2 3.86Å; F69-H105 HydrophobicContact CE1-CB 3.88Å; F69-H105 AromaticContact CE1-CD2 3.36Å; F69-H105 WeakPolarHBondContact CE1-CD2 3.46Å; F69-H105 AromaticContact CE1-CG 3.72Å; F69-H105 AromaticContact CE2-CD2 3.79Å; F69-H105 HydrophobicContact CG-CB 4.29Å; F69-H105 AromaticContact CZ-CD2 3.32Å; F69-H105 WeakPolarHBondContact CZ-CD2 3.43Å; F69-H105 AromaticContact CZ-NE2 3.91Å; N70-H105 PolarHBondContact N-O 3.27Å; A102-H105 PolarHBondContact O-CE1 3.38Å; A102-H105 VanDerWaalsContact O-CE1 3.31Å; H105-F121 HydrophobicContact CB-CE2 3.99Å; H105-F121 HydrophobicContact CB-CZ 4.4Å
106I98.7Very high98.1Very high23 Ų2361.1 Ų61.112%0.11832%0.323CS..  trans-128.9138.1173-51.4178.5000107.2N70 E73 H86 M89 F94 V104N70-I106 HydrophobicContact CB-CB 4.31Å; N70-I106 HydrophobicContact CB-CG1 3.95Å; N70-I106 HydrophobicContact CB-CG2 4.15Å; E73-I106 HydrophobicContact CB-CG2 4.28Å; H86-I106 WeakPolarHBondContact NE2-CG2 3.28Å; M89-I106 HydrophobicContact CB-CD1 4.05Å; M89-I106 HydrophobicContact CG-CD1 4.14Å; F94-I106 HydrophobicContact CE2-CD1 4.15Å; V104-I106 HydrophobicContact CG1-CG1 4.3Å
107L98.7Very high98.1Very high0 Ų060 Ų600%032%0.318CS..  trans-55.3142.2177.7-75.9153.5000111.7E73 H86 G109 E117 F121 T157 L186E73-L107 HydrophobicContact CB-CB 4.06Å; E73-L107 WeakPolarHBondContact CB-O 3.46Å; E73-L107 WeakPolarHBondContact CG-O 3.29Å; H86-L107 PolarHBondContact NE2-O 2.87Å; L107-G109 PolarHBondContact O-N 2.87Å; L107-E117 WeakPolarHBondContact CA-OE1 3.47Å; L107-E117 HydrophobicContact CD2-CG 4.19Å; L107-F121 HydrophobicContact CD2-CB 3.7Å; L107-F121 HydrophobicContact CD2-CD1 4.16Å; L107-F121 HydrophobicContact CD2-CD2 3.74Å; L107-F121 HydrophobicContact CD2-CE2 4.4Å; L107-F121 HydrophobicContact CD2-CG 3.6Å; L107-F121 HydrophobicContact CG-CD1 4.28Å; L107-F121 HydrophobicContact CG-CD2 3.83Å; L107-F121 HydrophobicContact CG-CE1 4.4Å; L107-F121 HydrophobicContact CG-CE2 3.98Å; L107-F121 HydrophobicContact CG-CG 3.99Å; L107-F121 HydrophobicContact CG-CZ 4.26Å; L107-T157 HydrophobicContact CD1-CG2 4.21Å; L107-T157 HydrophobicContact CD2-CG2 3.81Å; L107-L186 HydrophobicContact CB-CB 3.94Å; L107-L186 HydrophobicContact CB-CD1 4.1Å; L107-L186 HydrophobicContact CD1-CB 3.88Å; L107-L186 HydrophobicContact CD2-CB 4.17Å; L107-L186 HydrophobicContact CD2-CD1 4.19Å; L107-L186 HydrophobicContact CG-CB 4.2Å
108D98.2Very high98.1Very high36 Ų3659.5 Ų59.519%0.19332%0.316CS..  trans-91.491.7174-167.1-6.6000112.5K79 N110 C111 E117 L186K79-D108 WeakPolarHBondContact CE-OD1 3.35Å; K79-D108 WeakPolarHBondContact CE-OD2 3.32Å; K79-D108 IonicContact NZ-OD1 3.31Å; K79-D108 PolarHBondContact NZ-OD1 2.66Å; K79-D108 IonicContact NZ-OD2 3.77Å; K79-D108 PolarHBondContact NZ-OD2 2.85Å; D108-N110 PolarHBondContact O-N 2.97Å; D108-N110 VanDerWaalsContact O-N 3.08Å; D108-N110 PolarHBondContact OD1-N 3.36Å; D108-C111 HydrophobicContact CB-CB 4.14Å; D108-C111 PolarHBondContact O-N 3.09Å; D108-C111 PolarHBondContact O-SG 3.02Å; D108-C111 PolarHBondContact OD1-N 3.33Å; D108-E117 HydrophobicContact CB-CG 4.24Å; D108-E117 PolarHBondContact N-OE1 2.61Å; D108-L186 WeakPolarHBondContact O-CD1 3.13Å
109G97.9Very high98.1Very high2 Ų260.3 Ų60.32%0.02133%0.328CS..THydrogen-bonded Turntrans-66.7-2176.200000115.8Y74 I75 G76 L107Y74-G109 WeakPolarHBondContact O-CA 3.41Å; I75-G109 VanDerWaalsContact CA-O 3.26Å; I75-G109 WeakPolarHBondContact CA-O 3.43Å; G76-G109 PolarHBondContact N-O 3.27Å; L107-G109 PolarHBondContact O-N 2.87Å
110N97.5Very high98.1Very high74 Ų7462 Ų6240%0.39634%0.335SS..THydrogen-bonded Turntrans-118.811.1176.9-55.8-80000113G76 I77 D108G76-N110 WeakPolarHBondContact CA-OD1 3.38Å; I77-N110 PolarHBondContact N-OD1 3.09Å; I77-N110 PolarHBondContact O-ND2 3.35Å; I77-N110 PolarHBondContact O-OD1 3.3Å; D108-N110 PolarHBondContact O-N 2.97Å; D108-N110 VanDerWaalsContact O-N 3.08Å; D108-N110 PolarHBondContact OD1-N 3.36Å
111C96Very high98.1Very high34 Ų3457.1 Ų57.123%0.2331%0.313CS..  trans-66.6157.1174.368.80000111.2D108 D113 E117D108-C111 HydrophobicContact CB-CB 4.14Å; D108-C111 PolarHBondContact O-N 3.09Å; D108-C111 PolarHBondContact O-SG 3.02Å; D108-C111 PolarHBondContact OD1-N 3.33Å; C111-D113 PolarHBondContact SG-O 2.88Å; C111-E117 HydrophobicContact CB-CB 4.46Å; C111-E117 WeakPolarHBondContact SG-CB 3.33Å
112Y96Very high98.1Very high236 Ų23654.2 Ų54.293%0.92528%0.284SS*.SBendtrans-69.8-40.4178.5178.7-99.9000112.2
113D98.1Very high98.2Very high82 Ų8254.6 Ų54.644%0.43927%0.27SS..  trans-115.194.5-177.7-172.5-18.6000110.3C111 E115 H116 E117C111-D113 PolarHBondContact SG-O 2.88Å; D113-E115 VanDerWaalsContact C-N 3.3Å; D113-E115 PolarHBondContact O-N 3.49Å; D113-E115 PolarHBondContact OD1-N 2.63Å; D113-H116 HydrophobicContact CB-CB 3.84Å; D113-H116 PolarHBondContact O-N 2.69Å; D113-H116 PolarHBondContact OD1-N 2.8Å; D113-H116 WeakPolarHBondContact OD2-CB 3.2Å; D113-E117 PolarHBondContact O-N 2.61Å
114L97.7Very high98.2Very high44 Ų4457.7 Ų57.723%0.2328%0.283CS..Hα-helixtrans-67.2-29.4-177.7-66.1168.9000112.8I75 S118 V159 L186I75-L114 HydrophobicContact CD1-CD1 3.98Å; I75-L114 HydrophobicContact CD1-CD2 4.2Å; I75-L114 HydrophobicContact CG1-CD2 4.1Å; I75-L114 HydrophobicContact CG2-CD1 4.33Å; L114-S118 WeakPolarHBondContact O-CB 3.33Å; L114-S118 PolarHBondContact O-N 3.5Å; L114-S118 VanDerWaalsContact O-N 3.07Å; L114-S118 PolarHBondContact O-OG 3.07Å; L114-V159 HydrophobicContact CB-CG2 3.69Å; L114-V159 HydrophobicContact CD1-CG2 3.87Å; L114-V159 HydrophobicContact CG-CG2 4.33Å; L114-L186 HydrophobicContact CB-CD2 4.25Å; L114-L186 HydrophobicContact CD2-CD1 3.86Å; L114-L186 HydrophobicContact CD2-CD2 4.22Å; L114-L186 HydrophobicContact CD2-CG 4.06Å
115E97.9Very high98.2Very high163 Ų16356.6 Ų56.676%0.76228%0.275SS*.Hα-helixtrans-73.3-42.8177.1-69.2-174.8178.700110.1D113 S118 A119D113-E115 VanDerWaalsContact C-N 3.3Å; D113-E115 PolarHBondContact O-N 3.49Å; D113-E115 PolarHBondContact OD1-N 2.63Å; E115-S118 WeakPolarHBondContact O-CB 3.34Å; E115-S118 PolarHBondContact O-N 3.46Å; E115-A119 PolarHBondContact O-N 3.14Å
116H98.4Very high98.2Very high105 Ų10562.3 Ų62.349%0.48630%0.302SS..Hα-helixtrans-61.5-46173.5-178.466.3000112.2D113 S118 A119 E120D113-H116 HydrophobicContact CB-CB 3.84Å; D113-H116 PolarHBondContact O-N 2.69Å; D113-H116 PolarHBondContact OD1-N 2.8Å; D113-H116 WeakPolarHBondContact OD2-CB 3.2Å; H116-S118 VanDerWaalsContact C-N 3.29Å; H116-S118 PolarHBondContact O-N 2.84Å; H116-A119 PolarHBondContact O-N 3.5Å; H116-E120 VanDerWaalsContact CE1-CG 3.49Å; H116-E120 WeakPolarHBondContact CE1-CG 3.2Å; H116-E120 IonicContact CE1-OE1 3.46Å; H116-E120 WeakPolarHBondContact O-CB 3.36Å; H116-E120 PolarHBondContact O-N 3.14Å
117E98.6Very high98.1Very high24 Ų2467.8 Ų67.811%0.11233%0.331CS..Hα-helixtrans-59.2-41.7175.6171.759.2-169.600111.5L107 D108 C111 D113 A119 E120 F121 L186L107-E117 WeakPolarHBondContact CA-OE1 3.47Å; L107-E117 HydrophobicContact CD2-CG 4.19Å; D108-E117 HydrophobicContact CB-CG 4.24Å; D108-E117 PolarHBondContact N-OE1 2.61Å; C111-E117 HydrophobicContact CB-CB 4.46Å; C111-E117 WeakPolarHBondContact SG-CB 3.33Å; D113-E117 PolarHBondContact O-N 2.61Å; E117-A119 PolarHBondContact O-N 3.43Å; E117-E120 PolarHBondContact O-N 3.37Å; E117-F121 WeakPolarHBondContact O-CB 3.32Å; E117-F121 PolarHBondContact O-N 3.35Å; E117-L186 HydrophobicContact CG-CD1 3.82Å
118S98.5Very high98.1Very high6 Ų668.9 Ų68.94%0.04234%0.34CS..Hα-helixtrans-60.6-45.2176.2-62.10000112.1L114 E115 H116 F121 E122 T157 L186L114-S118 WeakPolarHBondContact O-CB 3.33Å; L114-S118 PolarHBondContact O-N 3.5Å; L114-S118 VanDerWaalsContact O-N 3.07Å; L114-S118 PolarHBondContact O-OG 3.07Å; E115-S118 WeakPolarHBondContact O-CB 3.34Å; E115-S118 PolarHBondContact O-N 3.46Å; H116-S118 VanDerWaalsContact C-N 3.29Å; H116-S118 PolarHBondContact O-N 2.84Å; S118-F121 PolarHBondContact O-N 2.81Å; S118-E122 WeakPolarHBondContact O-CG 3.37Å; S118-E122 PolarHBondContact O-N 2.85Å; S118-T157 WeakPolarHBondContact CB-O 3.33Å; S118-L186 VanDerWaalsContact OG-CD2 3.32Å; S118-L186 WeakPolarHBondContact OG-CD2 3.36Å
119A98.6Very high98.1Very high57 Ų5770.4 Ų70.447%0.47137%0.365SS..Hα-helixtrans-68.3-40.8179.100000112.6E115 H116 E117 F121 E122 K123E115-A119 PolarHBondContact O-N 3.14Å; H116-A119 PolarHBondContact O-N 3.5Å; E117-A119 PolarHBondContact O-N 3.43Å; A119-F121 VanDerWaalsContact C-N 3.33Å; A119-E122 PolarHBondContact O-N 2.87Å; A119-K123 WeakPolarHBondContact O-CB 3.26Å; A119-K123 PolarHBondContact O-N 3.15Å
120E98.6Very high98.1Very high53 Ų5371.3 Ų71.325%0.24837%0.374CS..Hα-helixtrans-68.8-32.3176.4-76.9-63.5130.500111.9H116 E117 K123 K124H116-E120 VanDerWaalsContact CE1-CG 3.49Å; H116-E120 WeakPolarHBondContact CE1-CG 3.2Å; H116-E120 IonicContact CE1-OE1 3.46Å; H116-E120 WeakPolarHBondContact O-CB 3.36Å; H116-E120 PolarHBondContact O-N 3.14Å; E117-E120 PolarHBondContact O-N 3.37Å; E120-K123 PolarHBondContact O-N 3.25Å; E120-K123 WeakPolarHBondContact OE1-CD 3.22Å; E120-K123 IonicContact OE1-NZ 3.92Å; E120-K123 PolarHBondContact OE1-NZ 3Å; E120-K123 IonicContact OE2-NZ 3.03Å; E120-K123 PolarHBondContact OE2-NZ 3.06Å; E120-K124 VanDerWaalsContact O-CG 3.25Å; E120-K124 WeakPolarHBondContact O-CG 3.29Å; E120-K124 PolarHBondContact O-N 2.84Å
121F98.8Very high98.2Very high1 Ų168 Ų680%0.00436%0.356CS..Hα-helixtrans-63.2-45.2173-159.1-96.1000111.8F69 N70 H105 L107 E117 S118 A119 K123 K124 I125 T157 V188F69-F121 HydrophobicContact CB-CE1 4.38Å; F69-F121 HydrophobicContact CB-CZ 4.17Å; F69-F121 HydrophobicContact CD1-CE1 4.18Å; F69-F121 HydrophobicContact CD1-CE2 4.49Å; F69-F121 AromaticContact CD1-CZ 3.98Å; F69-F121 HydrophobicContact CD1-CZ 3.98Å; N70-F121 WeakPolarHBondContact O-CZ 3.43Å; H105-F121 HydrophobicContact CB-CE2 3.99Å; H105-F121 HydrophobicContact CB-CZ 4.4Å; L107-F121 HydrophobicContact CD2-CB 3.7Å; L107-F121 HydrophobicContact CD2-CD1 4.16Å; L107-F121 HydrophobicContact CD2-CD2 3.74Å; L107-F121 HydrophobicContact CD2-CE2 4.4Å; L107-F121 HydrophobicContact CD2-CG 3.6Å; L107-F121 HydrophobicContact CG-CD1 4.28Å; L107-F121 HydrophobicContact CG-CD2 3.83Å; L107-F121 HydrophobicContact CG-CE1 4.4Å; L107-F121 HydrophobicContact CG-CE2 3.98Å; L107-F121 HydrophobicContact CG-CG 3.99Å; L107-F121 HydrophobicContact CG-CZ 4.26Å; E117-F121 WeakPolarHBondContact O-CB 3.32Å; E117-F121 PolarHBondContact O-N 3.35Å; S118-F121 PolarHBondContact O-N 2.81Å; A119-F121 VanDerWaalsContact C-N 3.33Å; F121-K123 VanDerWaalsContact C-N 3.33Å; F121-K123 PolarHBondContact O-N 3.26Å; F121-K124 PolarHBondContact O-N 2.85Å; F121-I125 HydrophobicContact CD1-CD1 3.93Å; F121-I125 HydrophobicContact CE1-CD1 3.96Å; F121-I125 WeakPolarHBondContact O-CG1 3.47Å; F121-I125 PolarHBondContact O-N 2.86Å; F121-I125 VanDerWaalsContact O-N 3.08Å; F121-T157 HydrophobicContact CB-CG2 4.44Å; F121-V188 HydrophobicContact CD1-CG1 4.24Å; F121-V188 HydrophobicContact CE1-CG1 3.86Å
122E98.8Very high98.3Very high26 Ų2669 Ų6912%0.12136%0.357CS..Hα-helixtrans-60-42.7174.3-70.3-76.3-160.600112.2S118 A119 I125 Q126 R156 T157 T192S118-E122 WeakPolarHBondContact O-CG 3.37Å; S118-E122 PolarHBondContact O-N 2.85Å; A119-E122 PolarHBondContact O-N 2.87Å; E122-I125 WeakPolarHBondContact O-CB 3.46Å; E122-I125 PolarHBondContact O-N 3.23Å; E122-Q126 PolarHBondContact O-N 2.98Å; E122-R156 WeakPolarHBondContact OE1-CB 3.44Å; E122-R156 IonicContact OE1-CZ 3.65Å; E122-R156 IonicContact OE1-NE 3.93Å; E122-R156 PolarHBondContact OE1-NE 3.35Å; E122-R156 IonicContact OE1-NH2 3.9Å; E122-R156 PolarHBondContact OE1-NH2 3.44Å; E122-R156 IonicContact OE2-CZ 3.76Å; E122-R156 IonicContact OE2-NE 3.02Å; E122-R156 IonicContact OE2-NH2 2.83Å; E122-R156 PolarHBondContact OE2-NH2 3.46Å; E122-T157 VanDerWaalsContact CD-OG1 3.28Å; E122-T157 WeakPolarHBondContact CG-OG1 3.49Å; E122-T157 PolarHBondContact OE1-N 2.87Å; E122-T157 PolarHBondContact OE1-OG1 3.45Å; E122-T192 PolarHBondContact OE1-OG1 2.89Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.34Å
123K98.7Very high98.5Very high94 Ų9457.8 Ų57.841%0.40931%0.314SS..Hα-helixtrans-64-40.2176.2-176.2-178.2170.3-166.20112.2A119 E120 F121 I125 Q126 L127A119-K123 WeakPolarHBondContact O-CB 3.26Å; A119-K123 PolarHBondContact O-N 3.15Å; E120-K123 PolarHBondContact O-N 3.25Å; E120-K123 WeakPolarHBondContact OE1-CD 3.22Å; E120-K123 IonicContact OE1-NZ 3.92Å; E120-K123 PolarHBondContact OE1-NZ 3Å; E120-K123 IonicContact OE2-NZ 3.03Å; E120-K123 PolarHBondContact OE2-NZ 3.06Å; F121-K123 VanDerWaalsContact C-N 3.33Å; F121-K123 PolarHBondContact O-N 3.26Å; K123-I125 VanDerWaalsContact C-N 3.33Å; K123-I125 PolarHBondContact O-N 3.3Å; K123-Q126 PolarHBondContact O-N 3.19Å; K123-L127 HydrophobicContact CG-CD1 4.02Å; K123-L127 HydrophobicContact CG-CG 4.38Å; K123-L127 WeakPolarHBondContact O-CB 3.32Å; K123-L127 VanDerWaalsContact O-CG 3.28Å; K123-L127 WeakPolarHBondContact O-CG 3.3Å; K123-L127 PolarHBondContact O-N 2.86Å
124K98.7Very high98.5Very high80 Ų8054 Ų5435%0.34829%0.293SS..Hα-helixtrans-61.3-41.1174.6-71.9164.8-170.5163.90111.3F69 E120 F121 L127 A128F69-K124 HydrophobicContact CE1-CB 3.98Å; E120-K124 VanDerWaalsContact O-CG 3.25Å; E120-K124 WeakPolarHBondContact O-CG 3.29Å; E120-K124 PolarHBondContact O-N 2.84Å; F121-K124 PolarHBondContact O-N 2.85Å; K124-L127 PolarHBondContact O-N 3.12Å; K124-A128 WeakPolarHBondContact O-CB 3.47Å; K124-A128 PolarHBondContact O-N 2.84Å
125I98.8Very high98.6Very high12 Ų1252 Ų526%0.06228%0.282CS..Hα-helixtrans-60.7-47.8173.8-67169.6000110.2F69 F121 E122 K123 A128 G129 G130 I131 T192F69-I125 HydrophobicContact CD1-CD1 4.31Å; F69-I125 HydrophobicContact CD1-CG1 3.45Å; F69-I125 VanDerWaalsContact CD1-CG1 3.45Å; F69-I125 HydrophobicContact CE1-CB 4.39Å; F69-I125 HydrophobicContact CE1-CG1 3.62Å; F69-I125 HydrophobicContact CG-CG1 4Å; F69-I125 HydrophobicContact CZ-CG1 4.31Å; F121-I125 HydrophobicContact CD1-CD1 3.93Å; F121-I125 HydrophobicContact CE1-CD1 3.96Å; F121-I125 WeakPolarHBondContact O-CG1 3.47Å; F121-I125 PolarHBondContact O-N 2.86Å; F121-I125 VanDerWaalsContact O-N 3.08Å; E122-I125 WeakPolarHBondContact O-CB 3.46Å; E122-I125 PolarHBondContact O-N 3.23Å; K123-I125 VanDerWaalsContact C-N 3.33Å; K123-I125 PolarHBondContact O-N 3.3Å; I125-A128 PolarHBondContact O-N 3.43Å; I125-G129 PolarHBondContact O-N 2.85Å; I125-G130 WeakPolarHBondContact O-CA 3.24Å; I125-G130 PolarHBondContact O-N 3.12Å; I125-I131 HydrophobicContact CG1-CD1 4.33Å; I125-I131 HydrophobicContact CG2-CD1 4.02Å; I125-I131 HydrophobicContact CG2-CG1 3.91Å; I125-T192 HydrophobicContact CD1-CG2 3.77Å
126Q98.5Very high98.6Very high156 Ų15644.2 Ų44.273%0.72925%0.246SC*.Hα-helixtrans-61.9-45.6179.7-171.6-179.618.500112.2E122 K123 A128 G129E122-Q126 PolarHBondContact O-N 2.98Å; K123-Q126 PolarHBondContact O-N 3.19Å; Q126-A128 PolarHBondContact O-N 3.11Å; Q126-G129 PolarHBondContact O-N 3.5Å
127L98.1Very high98.5Very high138 Ų13839.9 Ų39.972%0.72323%0.23SC*.Hα-helixtrans-65-26.1178.1-72172.5000112.8K123 K124 G129K123-L127 HydrophobicContact CG-CD1 4.02Å; K123-L127 HydrophobicContact CG-CG 4.38Å; K123-L127 WeakPolarHBondContact O-CB 3.32Å; K123-L127 VanDerWaalsContact O-CG 3.28Å; K123-L127 WeakPolarHBondContact O-CG 3.3Å; K123-L127 PolarHBondContact O-N 2.86Å; K124-L127 PolarHBondContact O-N 3.12Å; L127-G129 PolarHBondContact O-N 3.32Å
128A98.3Very high98.4Very high24 Ų2439 Ų3920%0.19823%0.226CC..THydrogen-bonded Turntrans-79.8-1.1173.100000113.6T36 K67 F69 K124 I125 Q126T36-A128 HydrophobicContact CG2-CB 3.79Å; K67-A128 HydrophobicContact CD-CB 4.28Å; F69-A128 HydrophobicContact CE2-CB 4.02Å; F69-A128 HydrophobicContact CZ-CB 3.78Å; K124-A128 WeakPolarHBondContact O-CB 3.47Å; K124-A128 PolarHBondContact O-N 2.84Å; I125-A128 PolarHBondContact O-N 3.43Å; Q126-A128 PolarHBondContact O-N 3.11Å
129G97.8Very high98.2Very high68 Ų6838.9 Ų38.970%0.70123%0.226SC*.THydrogen-bonded Turntrans89.513.8-178.600000114.5I125 Q126 L127I125-G129 PolarHBondContact O-N 2.85Å; Q126-G129 PolarHBondContact O-N 3.5Å; L127-G129 PolarHBondContact O-N 3.32Å
130G98.6Very high97.9Very high21 Ų2139 Ų3922%0.21622%0.221CC..SBendtrans85.6-173.6-17200000112.5T36 I125T36-G130 VanDerWaalsContact CB-O 3.24Å; T36-G130 WeakPolarHBondContact CB-O 3.24Å; T36-G130 WeakPolarHBondContact CG2-O 3.38Å; T36-G130 PolarHBondContact OG1-O 2.9Å; I125-G130 WeakPolarHBondContact O-CA 3.24Å; I125-G130 PolarHBondContact O-N 3.12Å
131I98.9Very high97.7Very high4 Ų436.9 Ų36.92%0.02121%0.212CC..  trans-102.3124.2-178.9-56.6-58.1000110.1T36 F69 I125 L133 F134 A196 K197T36-I131 WeakPolarHBondContact OG1-CA 3.32Å; F69-I131 HydrophobicContact CB-CD1 4.04Å; F69-I131 HydrophobicContact CD2-CD1 3.38Å; F69-I131 HydrophobicContact CE2-CD1 3.97Å; F69-I131 HydrophobicContact CG-CD1 3.81Å; I125-I131 HydrophobicContact CG1-CD1 4.33Å; I125-I131 HydrophobicContact CG2-CD1 4.02Å; I125-I131 HydrophobicContact CG2-CG1 3.91Å; I131-L133 VanDerWaalsContact CG2-C 3.49Å; I131-L133 VanDerWaalsContact CG2-O 3.31Å; I131-L133 WeakPolarHBondContact CG2-O 3.43Å; I131-F134 HydrophobicContact CB-CD2 4.34Å; I131-F134 HydrophobicContact CG1-CD2 4.19Å; I131-F134 HydrophobicContact CG2-CB 4Å; I131-F134 HydrophobicContact CG2-CD2 3.95Å; I131-F134 HydrophobicContact CG2-CG 4.31Å; I131-A196 HydrophobicContact CB-CB 3.92Å; I131-A196 HydrophobicContact CG2-CB 4.07Å; I131-A196 CarbonylContact O-C 3.58Å; I131-A196 VanDerWaalsContact O-CA 3.28Å; I131-A196 WeakPolarHBondContact O-CA 3.42Å; I131-K197 PolarHBondContact O-N 3.36Å
132Q98.9Very high97.6Very high55 Ų5536.9 Ų36.926%0.25721%0.212SC..SBendtrans-74.9-43.6177.4-178.757.818.700111.9F27 F35 T36 E198F27-Q132 HydrophobicContact CD2-CG 4.18Å; F27-Q132 HydrophobicContact CE2-CG 4.25Å; F35-Q132 HydrophobicContact CD2-CB 4.26Å; F35-Q132 HydrophobicContact CD2-CG 3.85Å; F35-Q132 HydrophobicContact CE2-CB 4.07Å; F35-Q132 HydrophobicContact CE2-CG 3.43Å; F35-Q132 VanDerWaalsContact CE2-CG 3.43Å; F35-Q132 HydrophobicContact CZ-CB 4.36Å; F35-Q132 HydrophobicContact CZ-CG 4.02Å; T36-Q132 WeakPolarHBondContact O-CB 3.39Å; T36-Q132 PolarHBondContact O-N 2.81Å; T36-Q132 PolarHBondContact OG1-N 3.11Å; Q132-E198 PolarHBondContact O-N 3.28Å
133L98.9Very high97.5Very high1 Ų136.8 Ų36.81%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-137.4121.1175.817560.9000109.7Y19 I20 F35 T36 I37 G38 I131 V135 E198 M200Y19-L133 HydrophobicContact CD1-CD2 4.34Å; Y19-L133 HydrophobicContact CE1-CD1 4.49Å; I20-L133 HydrophobicContact CG1-CD2 3.81Å; F35-L133 HydrophobicContact CE1-CB 4.3Å; F35-L133 HydrophobicContact CZ-CB 3.88Å; F35-L133 HydrophobicContact CZ-CD2 4.47Å; T36-L133 PolarHBondContact O-N 3.44Å; I37-L133 CarbonylContact C-O 3.57Å; I37-L133 VanDerWaalsContact CA-O 3.26Å; I37-L133 WeakPolarHBondContact CA-O 3.37Å; I37-L133 HydrophobicContact CD1-CD2 4.48Å; I37-L133 WeakPolarHBondContact CG1-O 3.32Å; G38-L133 PolarHBondContact N-O 3.06Å; I131-L133 VanDerWaalsContact CG2-C 3.49Å; I131-L133 VanDerWaalsContact CG2-O 3.31Å; I131-L133 WeakPolarHBondContact CG2-O 3.43Å; L133-V135 HydrophobicContact CD2-CG2 4.15Å; L133-V135 HydrophobicContact CG-CG2 3.97Å; L133-E198 CarbonylContact C-O 3.56Å; L133-E198 WeakPolarHBondContact CA-O 3.5Å; L133-E198 HydrophobicContact CD1-CB 4.05Å; L133-E198 HydrophobicContact CD1-CG 3.78Å; L133-M200 HydrophobicContact CD1-CB 4.21Å
134F98.9Very high97.4Very high3 Ų332.3 Ų32.31%0.01319%0.192CC..EExtended strand (participates in β ladder)trans-103.2112.4174-150.4-55.2000109.7M71 I131 V188 I193 A196 E198 V199 M200M71-F134 HydrophobicContact CG-CE1 3.42Å; M71-F134 VanDerWaalsContact CG-CE1 3.42Å; M71-F134 HydrophobicContact CG-CZ 3.75Å; M71-F134 HydrophobicContact SD-CE1 3.87Å; I131-F134 HydrophobicContact CB-CD2 4.34Å; I131-F134 HydrophobicContact CG1-CD2 4.19Å; I131-F134 HydrophobicContact CG2-CB 4Å; I131-F134 HydrophobicContact CG2-CD2 3.95Å; I131-F134 HydrophobicContact CG2-CG 4.31Å; F134-V188 HydrophobicContact CE2-CG2 4.45Å; F134-V188 HydrophobicContact CZ-CG2 3.96Å; F134-I193 HydrophobicContact CB-CG2 4.45Å; F134-I193 HydrophobicContact CD1-CG1 4.47Å; F134-I193 HydrophobicContact CD1-CG2 4.23Å; F134-I193 HydrophobicContact CD2-CB 4.45Å; F134-I193 HydrophobicContact CD2-CG1 4.26Å; F134-I193 HydrophobicContact CD2-CG2 4.39Å; F134-I193 HydrophobicContact CE1-CD1 4.48Å; F134-I193 HydrophobicContact CE1-CG1 4.21Å; F134-I193 HydrophobicContact CE2-CG1 3.94Å; F134-I193 HydrophobicContact CG-CG2 4.08Å; F134-I193 HydrophobicContact CZ-CG1 3.94Å; F134-A196 HydrophobicContact CB-CB 3.69Å; F134-A196 HydrophobicContact CD2-CB 4.41Å; F134-E198 PolarHBondContact N-O 2.79Å; F134-V199 HydrophobicContact CB-CG1 4.11Å; F134-V199 CarbonylContact O-C 3.55Å; F134-V199 WeakPolarHBondContact O-CA 3.32Å; F134-M200 PolarHBondContact O-N 3.38Å
135V98.8Very high97.4Very high0 Ų028.7 Ų28.70%018%0.177CC..EExtended strand (participates in β ladder)trans-95.2136.6175.8-169.40000109.2I20 I37 G38 P40 M48 L133 M200I20-V135 HydrophobicContact CD1-CG2 4.03Å; I20-V135 HydrophobicContact CG1-CG2 4.32Å; I37-V135 HydrophobicContact CD1-CG2 4.2Å; I37-V135 HydrophobicContact CG1-CG2 4.35Å; G38-V135 PolarHBondContact O-N 3Å; P40-V135 VanDerWaalsContact CD-O 3.22Å; P40-V135 WeakPolarHBondContact CD-O 3.29Å; P40-V135 HydrophobicContact CG-CB 4.45Å; P40-V135 HydrophobicContact CG-CG1 4.15Å; M48-V135 HydrophobicContact CE-CG1 4.3Å; M48-V135 HydrophobicContact SD-CG1 4.04Å; L133-V135 HydrophobicContact CD2-CG2 4.15Å; L133-V135 HydrophobicContact CG-CG2 3.97Å; V135-M200 CarbonylContact C-O 3.54Å; V135-M200 VanDerWaalsContact CA-O 3.32Å; V135-M200 WeakPolarHBondContact CA-O 3.28Å; V135-M200 HydrophobicContact CG1-CE 3.93Å; V135-M200 HydrophobicContact CG2-CE 3.87Å
136G98.1Very high97.3Very high0 Ų028.5 Ų28.50%018%0.176CC..EExtended strand (participates in β ladder)trans-144.6164.3-17700000112.7M45 M200 I201 L202M45-G136 VanDerWaalsContact CE-O 3.26Å; M45-G136 WeakPolarHBondContact CE-O 3.38Å; G136-M200 PolarHBondContact N-O 3.19Å; G136-I201 CarbonylContact O-C 3.59Å; G136-I201 VanDerWaalsContact O-CA 3.29Å; G136-I201 WeakPolarHBondContact O-CA 3.5Å; G136-L202 PolarHBondContact O-N 2.98Å
137G96.2Very high97.3Very high15 Ų1521 Ų2116%0.15514%0.141CC..EExtended strand (participates in β ladder)trans-108.3169.1164.400000110.1I144G137-I144 VanDerWaalsContact O-CD1 3.26Å; G137-I144 WeakPolarHBondContact O-CD1 3.35Å
138I96.5Very high97.3Very high5 Ų514.6 Ų14.63%0.02611%0.107CC..BIsolated β-bridgetrans-114.6133.5173.5-170.1171000111.1I201 A203 K208 A211 I212 V215 A226I138-I201 HydrophobicContact CB-CG2 3.88Å; I138-I201 HydrophobicContact CG2-CG2 4.18Å; I138-A203 HydrophobicContact CG2-CB 3.64Å; I138-K208 HydrophobicContact CG2-CB 4.49Å; I138-K208 HydrophobicContact CG2-CD 4.48Å; I138-K208 WeakPolarHBondContact O-CD 3.48Å; I138-K208 WeakPolarHBondContact O-CE 3.48Å; I138-K208 PolarHBondContact O-NZ 3.05Å; I138-A211 HydrophobicContact CD1-CB 3.78Å; I138-A211 HydrophobicContact CG1-CB 4.14Å; I138-I212 HydrophobicContact CD1-CD1 4.24Å; I138-I212 HydrophobicContact CG2-CD1 4.33Å; I138-V215 HydrophobicContact CD1-CB 4.45Å; I138-V215 HydrophobicContact CD1-CG2 3.66Å; I138-A226 HydrophobicContact CD1-CB 4Å; I138-A226 HydrophobicContact CG1-CB 4.3Å
139G94.3Very high97.3Very high3 Ų315.1 Ų15.13%0.03111%0.109CC..  trans-68.5159.7170.400000112.6D141 G142 H143 A211G139-D141 PolarHBondContact O-N 3.48Å; G139-G142 PolarHBondContact O-N 3.16Å; G139-H143 WeakPolarHBondContact CA-NE2 3.44Å; G139-H143 PolarHBondContact N-O 2.92Å; G139-A211 WeakPolarHBondContact O-CB 3.35Å
140P93.2Very high97.3Very high59 Ų5913.7 Ų13.738%0.3839%0.094SC..THydrogen-bonded Turntrans-62.5-22.5173.628-34.3000113.3
141D93.8Very high97.3Very high10 Ų1012.9 Ų12.95%0.0539%0.085CC..THydrogen-bonded Turntrans-89.34.1172.163.9-9.1000113.2G139 H143 P149 W224G139-D141 PolarHBondContact O-N 3.48Å; D141-H143 IonicContact OD1-CE1 3.53Å; D141-H143 PolarHBondContact OD1-CE1 3Å; D141-H143 IonicContact OD1-CG 2.69Å; D141-H143 PolarHBondContact OD1-N 2.74Å; D141-H143 IonicContact OD1-ND1 3.46Å; D141-H143 PolarHBondContact OD1-ND1 3.17Å; D141-H143 IonicContact OD2-CE1 2.75Å; D141-H143 IonicContact OD2-CG 2.61Å; D141-H143 IonicContact OD2-ND1 3.21Å; D141-H143 PolarHBondContact OD2-ND1 3.32Å; D141-P149 HydrophobicContact CB-CG 3.94Å; D141-P149 WeakPolarHBondContact OD2-CD 3.4Å; D141-W224 VanDerWaalsContact C-CE3 3.44Å; D141-W224 VanDerWaalsContact C-CZ3 3.44Å; D141-W224 WeakPolarHBondContact O-CZ3 3.33Å
142G96.2Very high97.3Very high0 Ų015.7 Ų15.70%011%0.105CC..  trans74.915.4-177.700000115.9G139 T225 A226G139-G142 PolarHBondContact O-N 3.16Å; G142-T225 PolarHBondContact O-N 3.4Å; G142-A226 WeakPolarHBondContact O-CB 3.31Å; G142-A226 PolarHBondContact O-N 2.91Å
143H97.1Very high97.2Very high25 Ų2514.7 Ų14.712%0.11610%0.101CC..  trans-65.2147.1172.767.4-124000112G139 D141 A145 N147 E148 T166 T225G139-H143 WeakPolarHBondContact CA-NE2 3.44Å; G139-H143 PolarHBondContact N-O 2.92Å; D141-H143 IonicContact OD1-CE1 3.53Å; D141-H143 PolarHBondContact OD1-CE1 3Å; D141-H143 IonicContact OD1-CG 2.69Å; D141-H143 PolarHBondContact OD1-N 2.74Å; D141-H143 IonicContact OD1-ND1 3.46Å; D141-H143 PolarHBondContact OD1-ND1 3.17Å; D141-H143 IonicContact OD2-CE1 2.75Å; D141-H143 IonicContact OD2-CG 2.61Å; D141-H143 IonicContact OD2-ND1 3.21Å; D141-H143 PolarHBondContact OD2-ND1 3.32Å; H143-A145 PolarHBondContact CD2-O 3.43Å; H143-N147 WeakPolarHBondContact CB-O 3.44Å; H143-E148 IonicContact ND1-OE2 3.5Å; H143-T166 PolarHBondContact CE1-OG1 3.38Å; H143-T225 WeakPolarHBondContact CA-OG1 3.44Å
144I97.7Very high97.2Very high0 Ų019.8 Ų19.80%013%0.133CC..BIsolated β-bridgetrans-111.2131.6164.1-178.358.8000109.5M71 G137 N147 V190 I193 I201 T225 A226 F229M71-I144 HydrophobicContact SD-CD1 4.32Å; G137-I144 VanDerWaalsContact O-CD1 3.26Å; G137-I144 WeakPolarHBondContact O-CD1 3.35Å; I144-N147 WeakPolarHBondContact O-CB 3.26Å; I144-N147 PolarHBondContact O-N 3.45Å; I144-N147 PolarHBondContact O-ND2 2.92Å; I144-V190 HydrophobicContact CG2-CG2 4.36Å; I144-I193 HydrophobicContact CB-CD1 4.43Å; I144-I193 HydrophobicContact CD1-CD1 4.3Å; I144-I193 HydrophobicContact CG1-CD1 3.38Å; I144-I193 HydrophobicContact CG2-CD1 4.27Å; I144-I201 HydrophobicContact CD1-CD1 3.33Å; I144-I201 HydrophobicContact CG1-CD1 4.37Å; I144-T225 PolarHBondContact N-OG1 2.99Å; I144-A226 HydrophobicContact CB-CB 4.34Å; I144-F229 HydrophobicContact CG1-CE1 4.35Å; I144-F229 HydrophobicContact CG1-CZ 4.28Å
145A97.7Very high97.2Very high4 Ų420.2 Ų20.23%0.03314%0.136CC..THydrogen-bonded Turntrans50.9-142.4-16300000109.9M71 D72 H143 N147 T187 V188 I193M71-A145 HydrophobicContact CB-CB 3.81Å; M71-A145 HydrophobicContact CE-CB 4.27Å; M71-A145 HydrophobicContact CG-CB 4.36Å; M71-A145 HydrophobicContact SD-CB 4.1Å; D72-A145 VanDerWaalsContact OD2-CA 3.32Å; D72-A145 WeakPolarHBondContact OD2-CA 3.25Å; D72-A145 WeakPolarHBondContact OD2-CB 3.47Å; H143-A145 PolarHBondContact CD2-O 3.43Å; A145-N147 VanDerWaalsContact C-N 3.29Å; A145-N147 PolarHBondContact O-N 3.17Å; A145-T187 WeakPolarHBondContact CB-OG1 3.21Å; A145-V188 HydrophobicContact CB-CG2 4.11Å; A145-I193 HydrophobicContact CB-CD1 4.24Å
146F97.8Very high97.2Very high7 Ų725 Ų253%0.03115%0.154CC..THydrogen-bonded Turntrans-94.333167.9-66.7-57.6000113D72 Y74 Y85 E148 L162 T166 A185 T187D72-F146 HydrophobicContact CB-CD2 3.5Å; D72-F146 HydrophobicContact CB-CE2 3.83Å; Y74-F146 HydrophobicContact CE1-CE2 4.29Å; Y74-F146 AromaticContact CE1-CZ 3.9Å; Y74-F146 HydrophobicContact CE1-CZ 3.9Å; Y85-F146 AromaticContact CE2-CE2 3.83Å; Y85-F146 HydrophobicContact CE2-CE2 3.83Å; Y85-F146 HydrophobicContact CE2-CZ 4.06Å; F146-E148 PolarHBondContact O-N 3.39Å; F146-L162 HydrophobicContact CB-CD2 3.95Å; F146-L162 HydrophobicContact CD1-CD2 3.46Å; F146-L162 VanDerWaalsContact CD1-CD2 3.46Å; F146-L162 HydrophobicContact CD2-CD2 4.07Å; F146-L162 HydrophobicContact CE1-CD1 4.35Å; F146-L162 HydrophobicContact CE1-CD2 3.85Å; F146-L162 HydrophobicContact CE2-CD2 4.4Å; F146-L162 HydrophobicContact CG-CD2 3.57Å; F146-L162 HydrophobicContact CZ-CD1 4.44Å; F146-L162 HydrophobicContact CZ-CD2 4.3Å; F146-T166 HydrophobicContact CD1-CG2 4.05Å; F146-T166 HydrophobicContact CE1-CG2 3.65Å; F146-A185 HydrophobicContact CD2-CB 3.33Å; F146-A185 HydrophobicContact CE2-CB 3.66Å; F146-A185 HydrophobicContact CG-CB 4.15Å; F146-T187 HydrophobicContact CB-CG2 3.98Å; F146-T187 PolarHBondContact N-OG1 3.3Å
147N98.4Very high97.3Very high0 Ų025.6 Ų25.60%016%0.157CC..BIsolated β-bridgetrans-78.171.8167.9-62.4-79.4000110H143 I144 A145 S155 R158 V188 V190 T225H143-N147 WeakPolarHBondContact CB-O 3.44Å; I144-N147 WeakPolarHBondContact O-CB 3.26Å; I144-N147 PolarHBondContact O-N 3.45Å; I144-N147 PolarHBondContact O-ND2 2.92Å; A145-N147 VanDerWaalsContact C-N 3.29Å; A145-N147 PolarHBondContact O-N 3.17Å; N147-S155 PolarHBondContact OD1-OG 3.17Å; N147-R158 PolarHBondContact OD1-NH1 3.47Å; N147-R158 PolarHBondContact OD1-NH2 3.19Å; N147-V188 PolarHBondContact ND2-O 2.99Å; N147-V190 HydrophobicContact CB-CG2 3.61Å; N147-T225 HydrophobicContact CB-CG2 4.25Å; N147-T225 WeakPolarHBondContact O-CG2 3.36Å; N147-T225 PolarHBondContact O-OG1 2.89Å
148E97.5Very high97.4Very high2 Ų227.7 Ų27.71%0.00916%0.161CC..  trans-53156.7177.5-60-72.9-171.300112.1H143 F146 G150 S151 L162 T163 T166H143-E148 IonicContact ND1-OE2 3.5Å; F146-E148 PolarHBondContact O-N 3.39Å; E148-G150 PolarHBondContact O-N 3.23Å; E148-S151 PolarHBondContact N-OG 3.15Å; E148-S151 WeakPolarHBondContact O-CB 3.49Å; E148-S151 PolarHBondContact O-N 2.93Å; E148-S151 PolarHBondContact O-OG 2.99Å; E148-L162 WeakPolarHBondContact OE1-CA 3.28Å; E148-T163 HydrophobicContact CB-CG2 3.88Å; E148-T163 HydrophobicContact CG-CG2 4Å; E148-T163 PolarHBondContact OE1-N 2.98Å; E148-T163 WeakPolarHBondContact OE2-CG2 3.48Å; E148-T163 PolarHBondContact OE2-OG1 3.07Å; E148-T166 VanDerWaalsContact OE1-CB 3.27Å; E148-T166 WeakPolarHBondContact OE1-CB 2.95Å; E148-T166 PolarHBondContact OE1-OG1 2.77Å; E148-T166 PolarHBondContact OE2-OG1 2.93Å; E148-T166 VanDerWaalsContact OE2-OG1 3.12Å
149P97.6Very high97.5Very high36 Ų3630.3 Ų30.323%0.23418%0.177CC..THydrogen-bonded Turntrans-45.3133.1175.2-30.234.7000113.5D141 M223D141-P149 HydrophobicContact CB-CG 3.94Å; D141-P149 WeakPolarHBondContact OD2-CD 3.4Å; P149-M223 HydrophobicContact CB-CE 3.67Å; P149-M223 HydrophobicContact CB-SD 4.12Å
150G97.7Very high97.6Very high38 Ų3832 Ų3239%0.39218%0.183SC..THydrogen-bonded Turntrans89.6-3.1-175.800000114.5E148 H222E148-G150 PolarHBondContact O-N 3.23Å; G150-H222 PolarHBondContact N-O 2.9Å
151S98.5Very high97.8Very high4 Ų435.8 Ų35.83%0.02820%0.198CC..  trans-67.2140.5175.9-67.10000112.7E148 L153 R158 K160 H222E148-S151 PolarHBondContact N-OG 3.15Å; E148-S151 WeakPolarHBondContact O-CB 3.49Å; E148-S151 PolarHBondContact O-N 2.93Å; E148-S151 PolarHBondContact O-OG 2.99Å; S151-L153 PolarHBondContact O-N 3.08Å; S151-R158 VanDerWaalsContact CB-NH2 3.34Å; S151-R158 PolarHBondContact OG-NH2 3.25Å; S151-K160 VanDerWaalsContact OG-CE 3.23Å; S151-K160 WeakPolarHBondContact OG-CE 3.37Å; S151-K160 PolarHBondContact OG-NZ 3.13Å; S151-H222 WeakPolarHBondContact O-CB 3.36Å
152S98.7Very high97.9Very high63 Ų6336 Ų3644%0.44120%0.199SC..  trans-55.8132.1174.3174.50000111.5T154 S155S152-T154 PolarHBondContact O-N 3.02Å; S152-T154 PolarHBondContact OG-N 3.39Å; S152-T154 PolarHBondContact OG-OG1 2.96Å; S152-S155 WeakPolarHBondContact O-CB 3.41Å; S152-S155 PolarHBondContact O-N 2.8Å; S152-S155 VanDerWaalsContact O-N 3.15Å; S152-S155 PolarHBondContact O-OG 3.13Å
153L98.7Very high97.6Very high34 Ų3437.8 Ų37.818%0.17821%0.21CC..THydrogen-bonded Turntrans-72.1-10.7177.9-63.8-179000113.3S151 V190 V220 H222 T225 M228S151-L153 PolarHBondContact O-N 3.08Å; L153-V190 HydrophobicContact CD2-CG1 4.39Å; L153-V190 WeakPolarHBondContact O-CB 3.49Å; L153-V190 VanDerWaalsContact O-CG1 3.29Å; L153-V190 WeakPolarHBondContact O-CG1 3.44Å; L153-V220 HydrophobicContact CD1-CG1 3.52Å; L153-H222 HydrophobicContact CD2-CB 4.19Å; L153-H222 HydrophobicContact CG-CB 4.04Å; L153-T225 HydrophobicContact CD2-CG2 4.37Å; L153-M228 HydrophobicContact CB-SD 3.96Å; L153-M228 HydrophobicContact CD1-SD 4.04Å; L153-M228 HydrophobicContact CD2-CB 4.32Å; L153-M228 HydrophobicContact CG-SD 4.46Å
154T98.5Very high97.4Very high108 Ų10840.4 Ų40.466%0.66324%0.236SC*.THydrogen-bonded Turntrans-112.516.6172.957.20000112.1S152S152-T154 PolarHBondContact O-N 3.02Å; S152-T154 PolarHBondContact OG-N 3.39Å; S152-T154 PolarHBondContact OG-OG1 2.96Å
155S98.7Very high97Very high11 Ų1146.3 Ų46.38%0.07726%0.263CS..  trans-59.7152.5-18051.80000112.7N147 S152 R158 G189 V190 G191N147-S155 PolarHBondContact OD1-OG 3.17Å; S152-S155 WeakPolarHBondContact O-CB 3.41Å; S152-S155 PolarHBondContact O-N 2.8Å; S152-S155 VanDerWaalsContact O-N 3.15Å; S152-S155 PolarHBondContact O-OG 3.13Å; S155-R158 VanDerWaalsContact CB-NH1 3.27Å; S155-R158 PolarHBondContact OG-NH1 2.96Å; S155-G189 CarbonylContact O-C 3.52Å; S155-G189 VanDerWaalsContact O-CA 3.26Å; S155-G189 WeakPolarHBondContact O-CA 3.49Å; S155-V190 PolarHBondContact O-N 3.46Å; S155-V190 PolarHBondContact OG-N 3.32Å; S155-G191 WeakPolarHBondContact O-CA 3.17Å; S155-G191 PolarHBondContact O-N 3.44Å
156R98.8Very high96.6Very high101 Ų10146.4 Ų46.438%0.38126%0.263SS..  trans-104177.9168.7-60.2-47.3-61.7-165.3-6.3111E122 R158 G189 T192 D195E122-R156 WeakPolarHBondContact OE1-CB 3.44Å; E122-R156 IonicContact OE1-CZ 3.65Å; E122-R156 IonicContact OE1-NE 3.93Å; E122-R156 PolarHBondContact OE1-NE 3.35Å; E122-R156 IonicContact OE1-NH2 3.9Å; E122-R156 PolarHBondContact OE1-NH2 3.44Å; E122-R156 IonicContact OE2-CZ 3.76Å; E122-R156 IonicContact OE2-NE 3.02Å; E122-R156 IonicContact OE2-NH2 2.83Å; E122-R156 PolarHBondContact OE2-NH2 3.46Å; R156-R158 PolarHBondContact O-N 2.94Å; R156-R158 PolarHBondContact O-NH1 3.29Å; R156-R158 VanDerWaalsContact O-NH1 3.14Å; R156-G189 VanDerWaalsContact C-CA 3.49Å; R156-G189 WeakPolarHBondContact O-CA 3.37Å; R156-T192 PolarHBondContact NE-OG1 3.36Å; R156-D195 IonicContact CZ-OD2 2.61Å; R156-D195 IonicContact NH1-OD2 3.39Å; R156-D195 PolarHBondContact NH1-OD2 2.99Å; R156-D195 IonicContact NH2-OD2 2.74Å; R156-D195 PolarHBondContact NH2-OD2 3.08Å
157T98.9Very high96.3Very high12 Ų1247.1 Ų47.17%0.07427%0.268CS..SBendtrans-52.5129.9173.3-54.70000110.7L107 S118 F121 E122 T187 T192L107-T157 HydrophobicContact CD1-CG2 4.21Å; L107-T157 HydrophobicContact CD2-CG2 3.81Å; S118-T157 WeakPolarHBondContact CB-O 3.33Å; F121-T157 HydrophobicContact CB-CG2 4.44Å; E122-T157 VanDerWaalsContact CD-OG1 3.28Å; E122-T157 WeakPolarHBondContact CG-OG1 3.49Å; E122-T157 PolarHBondContact OE1-N 2.87Å; E122-T157 PolarHBondContact OE1-OG1 3.45Å; T157-T187 CarbonylContact C-O 3.53Å; T157-T187 WeakPolarHBondContact CA-O 3.23Å; T157-T192 PolarHBondContact N-OG1 2.57Å
158R98.8Very high96Very high59 Ų5953.6 Ų53.622%0.22330%0.3CS..EExtended strand (participates in β ladder)trans-164.2171.8-175.468.3-165-176.3-64.2-3.1112.2N147 S151 S155 R156 K160 T187N147-R158 PolarHBondContact OD1-NH1 3.47Å; N147-R158 PolarHBondContact OD1-NH2 3.19Å; S151-R158 VanDerWaalsContact CB-NH2 3.34Å; S151-R158 PolarHBondContact OG-NH2 3.25Å; S155-R158 VanDerWaalsContact CB-NH1 3.27Å; S155-R158 PolarHBondContact OG-NH1 2.96Å; R156-R158 PolarHBondContact O-N 2.94Å; R156-R158 PolarHBondContact O-NH1 3.29Å; R156-R158 VanDerWaalsContact O-NH1 3.14Å; R158-K160 HydrophobicContact CG-CG 4.23Å; R158-T187 PolarHBondContact N-O 3.48Å; R158-T187 PolarHBondContact O-N 3.33Å
159V98.4Very high95.5Very high60 Ų6055.2 Ų55.236%0.36431%0.314SS..EExtended strand (participates in β ladder)trans-70.4133.7164.7179.50000110.4I75 L114 A185 L186I75-V159 HydrophobicContact CD1-CB 4.35Å; I75-V159 HydrophobicContact CD1-CG1 3.71Å; I75-V159 HydrophobicContact CD1-CG2 4Å; L114-V159 HydrophobicContact CB-CG2 3.69Å; L114-V159 HydrophobicContact CD1-CG2 3.87Å; L114-V159 HydrophobicContact CG-CG2 4.33Å; V159-A185 CarbonylContact C-O 3.4Å; V159-A185 WeakPolarHBondContact CA-O 3.37Å; V159-L186 HydrophobicContact CG2-CD2 3.79Å
160K98.1Very high95.1Very high38 Ų3854.4 Ų54.417%0.16531%0.308CS..EExtended strand (participates in β ladder)trans-129.1136.7170.8-84.2-69.3-67.6179.70111.3S151 R158 T184 A185 T187S151-K160 VanDerWaalsContact OG-CE 3.23Å; S151-K160 WeakPolarHBondContact OG-CE 3.37Å; S151-K160 PolarHBondContact OG-NZ 3.13Å; R158-K160 HydrophobicContact CG-CG 4.23Å; K160-T184 CarbonylContact O-C 3.51Å; K160-T184 VanDerWaalsContact O-CA 3.25Å; K160-T184 WeakPolarHBondContact O-CA 3.29Å; K160-A185 PolarHBondContact N-O 3.5Å; K160-A185 PolarHBondContact O-N 3.01Å; K160-T187 HydrophobicContact CB-CG2 3.91Å; K160-T187 HydrophobicContact CG-CG2 3.73Å
161M96.7Very high94.9Very high140 Ų14053 Ų5369%0.6929%0.292SS*.EExtended strand (participates in β ladder)trans-78.8132.1166.1-171.5172.9-6600108.7T184M161-T184 HydrophobicContact CB-CG2 4.5Å
162L94.7Very high94.5Very high14 Ų1460 Ų607%0.07332%0.318CS..PPolyproline II helixtrans-77.6144.7179.6-54.3-171.1000110.3Y74 F146 E148 T166 V167 P182 K183 A185Y74-L162 HydrophobicContact CD1-CD1 4.19Å; Y74-L162 HydrophobicContact CE1-CD1 3.76Å; F146-L162 HydrophobicContact CB-CD2 3.95Å; F146-L162 HydrophobicContact CD1-CD2 3.46Å; F146-L162 VanDerWaalsContact CD1-CD2 3.46Å; F146-L162 HydrophobicContact CD2-CD2 4.07Å; F146-L162 HydrophobicContact CE1-CD1 4.35Å; F146-L162 HydrophobicContact CE1-CD2 3.85Å; F146-L162 HydrophobicContact CE2-CD2 4.4Å; F146-L162 HydrophobicContact CG-CD2 3.57Å; F146-L162 HydrophobicContact CZ-CD1 4.44Å; F146-L162 HydrophobicContact CZ-CD2 4.3Å; E148-L162 WeakPolarHBondContact OE1-CA 3.28Å; L162-T166 HydrophobicContact CB-CG2 4.19Å; L162-T166 HydrophobicContact CD1-CG2 4.18Å; L162-T166 HydrophobicContact CD2-CG2 4.39Å; L162-T166 HydrophobicContact CG-CG2 4.49Å; L162-V167 HydrophobicContact CB-CG2 4.05Å; L162-P182 VanDerWaalsContact CD1-O 3.23Å; L162-P182 WeakPolarHBondContact CD1-O 3.16Å; L162-K183 PolarHBondContact N-O 2.76Å; L162-A185 HydrophobicContact CD2-CB 4Å
163T91.7Very high94.2Very high38 Ų3860.3 Ų60.323%0.23331%0.311CS..PPolyproline II helixtrans-71.7160.2174.557.90000111.1E148 E165 T166 V167E148-T163 HydrophobicContact CB-CG2 3.88Å; E148-T163 HydrophobicContact CG-CG2 4Å; E148-T163 PolarHBondContact OE1-N 2.98Å; E148-T163 WeakPolarHBondContact OE2-CG2 3.48Å; E148-T163 PolarHBondContact OE2-OG1 3.07Å; T163-E165 PolarHBondContact O-N 2.99Å; T163-T166 PolarHBondContact O-N 3.14Å; T163-T166 WeakPolarHBondContact OG1-CB 3.27Å; T163-T166 PolarHBondContact OG1-N 3.38Å; T163-T166 VanDerWaalsContact OG1-N 3.15Å; T163-T166 PolarHBondContact OG1-OG1 2.83Å; T163-V167 WeakPolarHBondContact O-CG2 3.42Å; T163-V167 PolarHBondContact O-N 3.21Å
164A92.5Very high94Very high80 Ų8059 Ų5966%0.66130%0.304SS*.Hα-helixtrans-59.1-34.6173.200000111.9V167 M168A164-V167 PolarHBondContact O-N 3.32Å; A164-M168 VanDerWaalsContact O-CB 3.31Å; A164-M168 WeakPolarHBondContact O-CB 3.46Å; A164-M168 PolarHBondContact O-N 2.86Å
165E88.5Confident93.8Very high124 Ų12460.1 Ų60.158%0.57931%0.306SS*.Hα-helixtrans-65.4-47.1175.9-70.9166.8175.600111.4T163 V167 M168 A169T163-E165 PolarHBondContact O-N 2.99Å; E165-V167 PolarHBondContact O-N 3.39Å; E165-M168 PolarHBondContact O-N 2.86Å; E165-A169 WeakPolarHBondContact O-CB 3.21Å; E165-A169 PolarHBondContact O-N 3Å
166T89.2Confident93.5Very high5 Ų565.9 Ų65.93%0.03134%0.336CS..Hα-helixtrans-60.7-44.7174.1-64.70000111.8H143 F146 E148 L162 T163 M168 A169 N170H143-T166 PolarHBondContact CE1-OG1 3.38Å; F146-T166 HydrophobicContact CD1-CG2 4.05Å; F146-T166 HydrophobicContact CE1-CG2 3.65Å; E148-T166 VanDerWaalsContact OE1-CB 3.27Å; E148-T166 WeakPolarHBondContact OE1-CB 2.95Å; E148-T166 PolarHBondContact OE1-OG1 2.77Å; E148-T166 PolarHBondContact OE2-OG1 2.93Å; E148-T166 VanDerWaalsContact OE2-OG1 3.12Å; L162-T166 HydrophobicContact CB-CG2 4.19Å; L162-T166 HydrophobicContact CD1-CG2 4.18Å; L162-T166 HydrophobicContact CD2-CG2 4.39Å; L162-T166 HydrophobicContact CG-CG2 4.49Å; T163-T166 PolarHBondContact O-N 3.14Å; T163-T166 WeakPolarHBondContact OG1-CB 3.27Å; T163-T166 PolarHBondContact OG1-N 3.38Å; T163-T166 VanDerWaalsContact OG1-N 3.15Å; T163-T166 PolarHBondContact OG1-OG1 2.83Å; T166-M168 VanDerWaalsContact C-N 3.35Å; T166-M168 PolarHBondContact O-N 2.82Å; T166-A169 PolarHBondContact O-N 2.88Å; T166-N170 WeakPolarHBondContact O-CB 3.49Å; T166-N170 PolarHBondContact O-N 3.47Å
167V92.2Very high93.3Very high22 Ų2263.5 Ų63.513%0.13333%0.331CS..Hα-helixtrans-59.6-45.9176.7166.80000110.9L162 T163 A164 E165 N170 A171 V178 V181L162-V167 HydrophobicContact CB-CG2 4.05Å; T163-V167 WeakPolarHBondContact O-CG2 3.42Å; T163-V167 PolarHBondContact O-N 3.21Å; A164-V167 PolarHBondContact O-N 3.32Å; E165-V167 PolarHBondContact O-N 3.39Å; V167-N170 PolarHBondContact O-N 3.2Å; V167-A171 PolarHBondContact O-N 2.7Å; V167-V178 HydrophobicContact CG1-CB 3.98Å; V167-V178 HydrophobicContact CG1-CG1 4.31Å; V167-V181 HydrophobicContact CG1-CB 4.07Å; V167-V181 HydrophobicContact CG1-CG1 4.35Å; V167-V181 HydrophobicContact CG1-CG2 4.37Å; V167-V181 HydrophobicContact CG2-CG1 4.4Å
168M91.2Very high93.1Very high137 Ų13765.8 Ų65.868%0.67535%0.345SS*.Hα-helixtrans-65.5-42.7178.8-170.4178.6-6200112.2A164 E165 T166 N170 A171A164-M168 VanDerWaalsContact O-CB 3.31Å; A164-M168 WeakPolarHBondContact O-CB 3.46Å; A164-M168 PolarHBondContact O-N 2.86Å; E165-M168 PolarHBondContact O-N 2.86Å; T166-M168 VanDerWaalsContact C-N 3.35Å; T166-M168 PolarHBondContact O-N 2.82Å; M168-N170 VanDerWaalsContact C-N 3.27Å; M168-N170 PolarHBondContact O-N 3.44Å; M168-A171 PolarHBondContact O-N 2.68Å
169A86.8Confident92.9Very high36 Ų3670.6 Ų70.630%0.29837%0.369SS..Hα-helixtrans-63.6-33.7177.900000112.5E165 T166 R172E165-A169 WeakPolarHBondContact O-CB 3.21Å; E165-A169 PolarHBondContact O-N 3Å; T166-A169 PolarHBondContact O-N 2.88Å; A169-R172 WeakPolarHBondContact O-CG 3.21Å; A169-R172 PolarHBondContact O-NE 2.78Å
170N90.4Very high92.7Very high19 Ų1972 Ų7210%0.10237%0.372CS..Hα-helixtrans-88.7-17.4-178.6-69.7-8.2000113.5Y74 T166 V167 M168 R172 F173 F174 V181Y74-N170 PolarHBondContact OH-ND2 3.25Å; T166-N170 WeakPolarHBondContact O-CB 3.49Å; T166-N170 PolarHBondContact O-N 3.47Å; V167-N170 PolarHBondContact O-N 3.2Å; M168-N170 VanDerWaalsContact C-N 3.27Å; M168-N170 PolarHBondContact O-N 3.44Å; N170-R172 PolarHBondContact O-N 3.33Å; N170-F173 HydrophobicContact CB-CD2 4.36Å; N170-F173 WeakPolarHBondContact O-CB 3.13Å; N170-F173 WeakPolarHBondContact O-CD2 3.42Å; N170-F173 PolarHBondContact O-N 2.88Å; N170-F174 WeakPolarHBondContact O-CD2 3.12Å; N170-V181 HydrophobicContact CB-CG1 4.22Å
171A93Very high92.6Very high7 Ų770.4 Ų70.46%0.05837%0.365CS..G310 helixtrans-53.2-29.4178.500000113.6V167 M168 F173 F174 N176 V178 V181V167-A171 PolarHBondContact O-N 2.7Å; M168-A171 PolarHBondContact O-N 2.68Å; A171-F173 PolarHBondContact O-N 3.36Å; A171-F173 VanDerWaalsContact O-N 3.09Å; A171-F174 CarbonylContact O-C 3.31Å; A171-F174 VanDerWaalsContact O-C 3.31Å; A171-F174 WeakPolarHBondContact O-CA 3.32Å; A171-F174 PolarHBondContact O-N 2.99Å; A171-N176 WeakPolarHBondContact O-CA 3.3Å; A171-N176 PolarHBondContact O-N 3.03Å; A171-V178 HydrophobicContact CB-CG1 3.83Å; A171-V181 HydrophobicContact CB-CG2 4.05Å
172R91.5Very high92.6Very high153 Ų15364.6 Ų64.658%0.57734%0.338SS*.G310 helixtrans-55.9-25173.570.9-174.9175.8-163.2-7.4114.6A169 N170 N176A169-R172 WeakPolarHBondContact O-CG 3.21Å; A169-R172 PolarHBondContact O-NE 2.78Å; N170-R172 PolarHBondContact O-N 3.33Å; R172-N176 WeakPolarHBondContact CA-OD1 3.44Å
173F91.1Very high92.6Very high69 Ų6970.9 Ų70.930%0.30337%0.365SS..G310 helixtrans-87.2-17.2176.2-57.6-59000112.4Q83 N170 A171Q83-F173 HydrophobicContact CG-CB 4.41Å; Q83-F173 WeakPolarHBondContact CG-O 3.26Å; Q83-F173 PolarHBondContact NE2-O 2.75Å; Q83-F173 VanDerWaalsContact NE2-O 3.09Å; N170-F173 HydrophobicContact CB-CD2 4.36Å; N170-F173 WeakPolarHBondContact O-CB 3.13Å; N170-F173 WeakPolarHBondContact O-CD2 3.42Å; N170-F173 PolarHBondContact O-N 2.88Å; A171-F173 PolarHBondContact O-N 3.36Å; A171-F173 VanDerWaalsContact O-N 3.09Å
174F93.8Very high92.9Very high7 Ų771.1 Ų71.13%0.03137%0.366CS..THydrogen-bonded Turntrans-114.455.5-176.1-64.9-93.3000110.8Y74 I77 Q83 N170 A171 N176 D177 Q180 V181 P182Y74-F174 HydrophobicContact CD2-CZ 4.35Å; Y74-F174 HydrophobicContact CE2-CE2 4.19Å; Y74-F174 AromaticContact CE2-CZ 3.91Å; Y74-F174 HydrophobicContact CE2-CZ 3.91Å; I77-F174 HydrophobicContact CD1-CE1 3.7Å; I77-F174 HydrophobicContact CD1-CZ 4.16Å; Q83-F174 HydrophobicContact CB-CD1 4.43Å; Q83-F174 HydrophobicContact CB-CE1 3.79Å; Q83-F174 HydrophobicContact CB-CE2 4.24Å; Q83-F174 HydrophobicContact CB-CZ 3.67Å; Q83-F174 HydrophobicContact CG-CD1 4.46Å; Q83-F174 HydrophobicContact CG-CE1 4.29Å; Q83-F174 HydrophobicContact CG-CZ 4.42Å; N170-F174 WeakPolarHBondContact O-CD2 3.12Å; A171-F174 CarbonylContact O-C 3.31Å; A171-F174 VanDerWaalsContact O-C 3.31Å; A171-F174 WeakPolarHBondContact O-CA 3.32Å; A171-F174 PolarHBondContact O-N 2.99Å; F174-N176 PolarHBondContact O-N 2.84Å; F174-N176 VanDerWaalsContact O-N 3.1Å; F174-D177 PolarHBondContact O-N 3.02Å; F174-Q180 HydrophobicContact CB-CB 3.82Å; F174-Q180 HydrophobicContact CD1-CB 4.29Å; F174-Q180 VanDerWaalsContact CD1-O 3.25Å; F174-Q180 WeakPolarHBondContact CD1-O 3.43Å; F174-Q180 HydrophobicContact CG-CB 4.47Å; F174-V181 HydrophobicContact CB-CG2 4.04Å; F174-V181 HydrophobicContact CD2-CB 4.34Å; F174-V181 HydrophobicContact CD2-CG1 4.38Å; F174-V181 HydrophobicContact CD2-CG2 3.74Å; F174-V181 HydrophobicContact CE2-CG1 4.28Å; F174-V181 HydrophobicContact CE2-CG2 4.44Å; F174-V181 HydrophobicContact CG-CG2 4.01Å; F174-P182 HydrophobicContact CE1-CG 4.48Å; F174-P182 HydrophobicContact CZ-CG 4.4Å
175N94.4Very high93.2Very high130 Ų13067.3 Ų67.370%0.69534%0.335SS*.THydrogen-bonded Turntrans57.625.2178.4-56.1-53.1000114.7D177 Q180N175-D177 PolarHBondContact O-N 3.1Å; N175-Q180 PolarHBondContact ND2-OE1 2.91Å
176N93.2Very high93.7Very high133 Ų13361.4 Ų61.471%0.71131%0.307SS*.THydrogen-bonded Turntrans59.226.1-171.4-57.9-63.9000113.8A171 R172 F174A171-N176 WeakPolarHBondContact O-CA 3.3Å; A171-N176 PolarHBondContact O-N 3.03Å; R172-N176 WeakPolarHBondContact CA-OD1 3.44Å; F174-N176 PolarHBondContact O-N 2.84Å; F174-N176 VanDerWaalsContact O-N 3.1Å
177D95Very high94.1Very high51 Ų5161.1 Ų61.127%0.27331%0.306SS..  trans-114.2111.2179.8-1781.9000110.9F174 N175 H179 Q180F174-D177 PolarHBondContact O-N 3.02Å; N175-D177 PolarHBondContact O-N 3.1Å; D177-H179 PolarHBondContact O-N 3.1Å; D177-H179 VanDerWaalsContact OD1-CB 3.32Å; D177-H179 WeakPolarHBondContact OD1-CB 3.26Å; D177-H179 IonicContact OD1-CD2 3.38Å; D177-H179 PolarHBondContact OD1-CD2 3.17Å; D177-H179 IonicContact OD1-CG 3.67Å; D177-H179 PolarHBondContact OD1-N 3.16Å; D177-Q180 HydrophobicContact CB-CB 4.42Å; D177-Q180 HydrophobicContact CB-CG 4.21Å; D177-Q180 PolarHBondContact O-N 2.81Å; D177-Q180 VanDerWaalsContact O-N 3.13Å; D177-Q180 PolarHBondContact OD2-NE2 2.81Å
178V94.1Very high94.4Very high60 Ų6060.1 Ų60.136%0.36430%0.299SS..THydrogen-bonded Turntrans-61.7-22.9178.3-65.10000113V167 A171 Q180 V181V167-V178 HydrophobicContact CG1-CB 3.98Å; V167-V178 HydrophobicContact CG1-CG1 4.31Å; A171-V178 HydrophobicContact CB-CG1 3.83Å; V178-Q180 VanDerWaalsContact C-N 3.3Å; V178-V181 PolarHBondContact O-N 2.93Å
179H95.2Very high94.8Very high160 Ų16053.6 Ų53.674%0.74127%0.267SS*.THydrogen-bonded Turntrans-76.9-19.1179.1-61.8-65.2000113D177D177-H179 PolarHBondContact O-N 3.1Å; D177-H179 VanDerWaalsContact OD1-CB 3.32Å; D177-H179 WeakPolarHBondContact OD1-CB 3.26Å; D177-H179 IonicContact OD1-CD2 3.38Å; D177-H179 PolarHBondContact OD1-CD2 3.17Å; D177-H179 IonicContact OD1-CG 3.67Å; D177-H179 PolarHBondContact OD1-N 3.16Å
180Q94.7Very high95.4Very high88 Ų8852 Ų5241%0.41125%0.253SS..SBendtrans-86.6-13175.5-72.4175.95400112.8F174 N175 D177 V178 P182F174-Q180 HydrophobicContact CB-CB 3.82Å; F174-Q180 HydrophobicContact CD1-CB 4.29Å; F174-Q180 VanDerWaalsContact CD1-O 3.25Å; F174-Q180 WeakPolarHBondContact CD1-O 3.43Å; F174-Q180 HydrophobicContact CG-CB 4.47Å; N175-Q180 PolarHBondContact ND2-OE1 2.91Å; D177-Q180 HydrophobicContact CB-CB 4.42Å; D177-Q180 HydrophobicContact CB-CG 4.21Å; D177-Q180 PolarHBondContact O-N 2.81Å; D177-Q180 VanDerWaalsContact O-N 3.13Å; D177-Q180 PolarHBondContact OD2-NE2 2.81Å; V178-Q180 VanDerWaalsContact C-N 3.3Å; Q180-P182 WeakPolarHBondContact O-CD 3.2Å
181V95Very high95.8Very high5 Ų551.4 Ų51.43%0.0325%0.253CS..SBendtrans-77.4126.7178.7-1720000109.7V167 N170 A171 F174 V178 K183V167-V181 HydrophobicContact CG1-CB 4.07Å; V167-V181 HydrophobicContact CG1-CG1 4.35Å; V167-V181 HydrophobicContact CG1-CG2 4.37Å; V167-V181 HydrophobicContact CG2-CG1 4.4Å; N170-V181 HydrophobicContact CB-CG1 4.22Å; A171-V181 HydrophobicContact CB-CG2 4.05Å; F174-V181 HydrophobicContact CB-CG2 4.04Å; F174-V181 HydrophobicContact CD2-CB 4.34Å; F174-V181 HydrophobicContact CD2-CG1 4.38Å; F174-V181 HydrophobicContact CD2-CG2 3.74Å; F174-V181 HydrophobicContact CE2-CG1 4.28Å; F174-V181 HydrophobicContact CE2-CG2 4.44Å; F174-V181 HydrophobicContact CG-CG2 4.01Å; V178-V181 PolarHBondContact O-N 2.93Å; V181-K183 PolarHBondContact O-N 3.28Å
182P96.1Very high96.1Very high18 Ų1851.2 Ų51.212%0.11725%0.251CS..  trans-56.9134.4172.4-26.336.6000111.2Y74 I77 L162 F174 Q180 T184Y74-P182 HydrophobicContact CD1-CB 3.72Å; Y74-P182 HydrophobicContact CD1-CG 3.91Å; Y74-P182 HydrophobicContact CD2-CG 4.4Å; Y74-P182 HydrophobicContact CG-CB 4Å; Y74-P182 HydrophobicContact CG-CG 3.79Å; I77-P182 HydrophobicContact CB-CG 4.25Å; I77-P182 HydrophobicContact CD1-CG 4.34Å; L162-P182 VanDerWaalsContact CD1-O 3.23Å; L162-P182 WeakPolarHBondContact CD1-O 3.16Å; F174-P182 HydrophobicContact CE1-CG 4.48Å; F174-P182 HydrophobicContact CZ-CG 4.4Å; Q180-P182 WeakPolarHBondContact O-CD 3.2Å; P182-T184 VanDerWaalsContact C-N 3.33Å
183K96.2Very high96.4Very high146 Ų14644 Ų4464%0.63522%0.223SC*.SBendtrans-85.7-8.2-176.3-62.1-179-178177.40113.7L162 V181L162-K183 PolarHBondContact N-O 2.76Å; V181-K183 PolarHBondContact O-N 3.28Å
184T97.3Very high96.8Very high43 Ų4342.2 Ų42.226%0.26422%0.216SC..EExtended strand (participates in β ladder)trans-141.2149.3-175.250.40000110I75 K160 M161 P182I75-T184 PolarHBondContact N-O 2.8Å; K160-T184 CarbonylContact O-C 3.51Å; K160-T184 VanDerWaalsContact O-CA 3.25Å; K160-T184 WeakPolarHBondContact O-CA 3.29Å; M161-T184 HydrophobicContact CB-CG2 4.5Å; P182-T184 VanDerWaalsContact C-N 3.33Å
185A98.1Very high97Very high0 Ų047 Ų470%024%0.242CC..EExtended strand (participates in β ladder)trans-139.8153.5177.800000110.4E73 I75 F146 V159 K160 L162E73-A185 CarbonylContact O-C 3.42Å; E73-A185 VanDerWaalsContact O-CA 3.29Å; E73-A185 WeakPolarHBondContact O-CA 3.44Å; E73-A185 WeakPolarHBondContact O-CB 3.33Å; I75-A185 VanDerWaalsContact CD1-C 3.47Å; F146-A185 HydrophobicContact CD2-CB 3.33Å; F146-A185 HydrophobicContact CE2-CB 3.66Å; F146-A185 HydrophobicContact CG-CB 4.15Å; V159-A185 CarbonylContact C-O 3.4Å; V159-A185 WeakPolarHBondContact CA-O 3.37Å; K160-A185 PolarHBondContact N-O 3.5Å; K160-A185 PolarHBondContact O-N 3.01Å; L162-A185 HydrophobicContact CD2-CB 4Å
186L98.7Very high97.2Very high0 Ų041 Ų410%021%0.211CC..EExtended strand (participates in β ladder)trans-81.9138.3157.5-74.7172.3000107.7D72 E73 I75 L107 D108 L114 E117 S118 V159D72-L186 CarbonylContact C-O 3.58Å; D72-L186 WeakPolarHBondContact CA-O 3.24Å; D72-L186 WeakPolarHBondContact CB-O 3.29Å; E73-L186 PolarHBondContact N-O 3.38Å; E73-L186 PolarHBondContact O-N 2.91Å; I75-L186 HydrophobicContact CD1-CG 4.19Å; I75-L186 HydrophobicContact CG1-CG 4.15Å; L107-L186 HydrophobicContact CB-CB 3.94Å; L107-L186 HydrophobicContact CB-CD1 4.1Å; L107-L186 HydrophobicContact CD1-CB 3.88Å; L107-L186 HydrophobicContact CD2-CB 4.17Å; L107-L186 HydrophobicContact CD2-CD1 4.19Å; L107-L186 HydrophobicContact CG-CB 4.2Å; D108-L186 WeakPolarHBondContact O-CD1 3.13Å; L114-L186 HydrophobicContact CB-CD2 4.25Å; L114-L186 HydrophobicContact CD2-CD1 3.86Å; L114-L186 HydrophobicContact CD2-CD2 4.22Å; L114-L186 HydrophobicContact CD2-CG 4.06Å; E117-L186 HydrophobicContact CG-CD1 3.82Å; S118-L186 VanDerWaalsContact OG-CD2 3.32Å; S118-L186 WeakPolarHBondContact OG-CD2 3.36Å; V159-L186 HydrophobicContact CG2-CD2 3.79Å
187T98.8Very high97.5Very high0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-149.9142.9-179.7-171.40000111.3M71 A145 F146 T157 R158 K160M71-T187 CarbonylContact O-C 3.57Å; M71-T187 WeakPolarHBondContact O-CA 3.47Å; M71-T187 PolarHBondContact O-OG1 3.29Å; A145-T187 WeakPolarHBondContact CB-OG1 3.21Å; F146-T187 HydrophobicContact CB-CG2 3.98Å; F146-T187 PolarHBondContact N-OG1 3.3Å; T157-T187 CarbonylContact C-O 3.53Å; T157-T187 WeakPolarHBondContact CA-O 3.23Å; R158-T187 PolarHBondContact N-O 3.48Å; R158-T187 PolarHBondContact O-N 3.33Å; K160-T187 HydrophobicContact CB-CG2 3.91Å; K160-T187 HydrophobicContact CG-CG2 3.73Å
188V98.9Very high97.6Very high1 Ų139 Ų391%0.00619%0.194CC..  trans-59.4146.3168-60.80000110M71 F121 F134 A145 N147 T192 I193M71-V188 HydrophobicContact CB-CG2 4.26Å; M71-V188 WeakPolarHBondContact O-CG2 3.38Å; M71-V188 PolarHBondContact O-N 3.4Å; F121-V188 HydrophobicContact CD1-CG1 4.24Å; F121-V188 HydrophobicContact CE1-CG1 3.86Å; F134-V188 HydrophobicContact CE2-CG2 4.45Å; F134-V188 HydrophobicContact CZ-CG2 3.96Å; A145-V188 HydrophobicContact CB-CG2 4.11Å; N147-V188 PolarHBondContact ND2-O 2.99Å; V188-T192 HydrophobicContact CB-CG2 3.98Å; V188-T192 HydrophobicContact CG1-CG2 4.21Å; V188-I193 HydrophobicContact CG2-CD1 3.77Å; V188-I193 HydrophobicContact CG2-CG1 3.64Å
189G98.8Very high97.9Very high0 Ų036.1 Ų36.10%018%0.177CC..  trans-78.2164.917900000113.1S155 R156 G191 T192 I193S155-G189 CarbonylContact O-C 3.52Å; S155-G189 VanDerWaalsContact O-CA 3.26Å; S155-G189 WeakPolarHBondContact O-CA 3.49Å; R156-G189 VanDerWaalsContact C-CA 3.49Å; R156-G189 WeakPolarHBondContact O-CA 3.37Å; G189-G191 PolarHBondContact O-N 3.47Å; G189-T192 PolarHBondContact N-OG1 3.46Å; G189-T192 VanDerWaalsContact N-OG1 3.07Å; G189-T192 WeakPolarHBondContact O-CB 3.35Å; G189-T192 PolarHBondContact O-N 3.12Å; G189-T192 VanDerWaalsContact O-N 3.14Å; G189-I193 PolarHBondContact O-N 3.32Å; G189-I193 VanDerWaalsContact O-N 3.14Å
190V98.8Very high98Very high1 Ų128.5 Ų28.51%0.00614%0.141CC..Hα-helixtrans-58.8-41.4172.3-178.40000110.1I144 N147 L153 S155 T192 I193 M194 T225 M228I144-V190 HydrophobicContact CG2-CG2 4.36Å; N147-V190 HydrophobicContact CB-CG2 3.61Å; L153-V190 HydrophobicContact CD2-CG1 4.39Å; L153-V190 WeakPolarHBondContact O-CB 3.49Å; L153-V190 VanDerWaalsContact O-CG1 3.29Å; L153-V190 WeakPolarHBondContact O-CG1 3.44Å; S155-V190 PolarHBondContact O-N 3.46Å; S155-V190 PolarHBondContact OG-N 3.32Å; V190-T192 PolarHBondContact O-N 3.24Å; V190-I193 PolarHBondContact O-N 3.23Å; V190-M194 HydrophobicContact CG1-CG 4.23Å; V190-M194 WeakPolarHBondContact O-CB 3.26Å; V190-M194 WeakPolarHBondContact O-CG 3.49Å; V190-M194 PolarHBondContact O-N 2.77Å; V190-T225 HydrophobicContact CG2-CG2 4.36Å; V190-M228 HydrophobicContact CG1-CB 3.84Å; V190-M228 HydrophobicContact CG1-CG 3.88Å
191G98.7Very high98.2Very high8 Ų824.5 Ų24.58%0.08212%0.123CC..Hα-helixtrans-63.3-40.1175.200000112.5S155 G189 I193 M194 D195S155-G191 WeakPolarHBondContact O-CA 3.17Å; S155-G191 PolarHBondContact O-N 3.44Å; G189-G191 PolarHBondContact O-N 3.47Å; G191-I193 VanDerWaalsContact C-N 3.3Å; G191-I193 PolarHBondContact O-N 3.11Å; G191-M194 PolarHBondContact O-N 2.85Å; G191-D195 VanDerWaalsContact O-CG 3.31Å; G191-D195 PolarHBondContact O-N 3.46Å
192T98.9Very high98.4Very high3 Ų324.3 Ų24.32%0.01812%0.121CC..Hα-helixtrans-58.4-41.9176.8-42.10000111.9E122 I125 R156 T157 V188 G189 V190E122-T192 PolarHBondContact OE1-OG1 2.89Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.34Å; I125-T192 HydrophobicContact CD1-CG2 3.77Å; R156-T192 PolarHBondContact NE-OG1 3.36Å; T157-T192 PolarHBondContact N-OG1 2.57Å; V188-T192 HydrophobicContact CB-CG2 3.98Å; V188-T192 HydrophobicContact CG1-CG2 4.21Å; G189-T192 PolarHBondContact N-OG1 3.46Å; G189-T192 VanDerWaalsContact N-OG1 3.07Å; G189-T192 WeakPolarHBondContact O-CB 3.35Å; G189-T192 PolarHBondContact O-N 3.12Å; G189-T192 VanDerWaalsContact O-N 3.14Å; V190-T192 PolarHBondContact O-N 3.24Å
193I98.8Very high98.5Very high1 Ų123.4 Ų23.41%0.00512%0.116CC..Hα-helixtrans-70.8-41.7177.2-62175.9000110.8F134 I144 A145 V188 G189 V190 G191 D195 A196 V199 F229F134-I193 HydrophobicContact CB-CG2 4.45Å; F134-I193 HydrophobicContact CD1-CG1 4.47Å; F134-I193 HydrophobicContact CD1-CG2 4.23Å; F134-I193 HydrophobicContact CD2-CB 4.45Å; F134-I193 HydrophobicContact CD2-CG1 4.26Å; F134-I193 HydrophobicContact CD2-CG2 4.39Å; F134-I193 HydrophobicContact CE1-CD1 4.48Å; F134-I193 HydrophobicContact CE1-CG1 4.21Å; F134-I193 HydrophobicContact CE2-CG1 3.94Å; F134-I193 HydrophobicContact CG-CG2 4.08Å; F134-I193 HydrophobicContact CZ-CG1 3.94Å; I144-I193 HydrophobicContact CB-CD1 4.43Å; I144-I193 HydrophobicContact CD1-CD1 4.3Å; I144-I193 HydrophobicContact CG1-CD1 3.38Å; I144-I193 HydrophobicContact CG2-CD1 4.27Å; A145-I193 HydrophobicContact CB-CD1 4.24Å; V188-I193 HydrophobicContact CG2-CD1 3.77Å; V188-I193 HydrophobicContact CG2-CG1 3.64Å; G189-I193 PolarHBondContact O-N 3.32Å; G189-I193 VanDerWaalsContact O-N 3.14Å; V190-I193 PolarHBondContact O-N 3.23Å; G191-I193 VanDerWaalsContact C-N 3.3Å; G191-I193 PolarHBondContact O-N 3.11Å; I193-D195 PolarHBondContact O-N 3.26Å; I193-A196 VanDerWaalsContact O-CB 3.24Å; I193-A196 WeakPolarHBondContact O-CB 3.18Å; I193-A196 PolarHBondContact O-N 3.43Å; I193-A196 VanDerWaalsContact O-N 3.13Å; I193-V199 HydrophobicContact CG2-CG1 4.04Å; I193-V199 WeakPolarHBondContact O-CG1 3.41Å; I193-F229 HydrophobicContact CG2-CE1 4.06Å; I193-F229 HydrophobicContact CG2-CZ 3.83Å
194M98.6Very high98.5Very high31 Ų3117 Ų1715%0.1539%0.089CC..Hα-helixtrans-69.5-15.6-178.9-69.4-69.5-61.400114V190 G191 A196 M228 F229 M231 H232V190-M194 HydrophobicContact CG1-CG 4.23Å; V190-M194 WeakPolarHBondContact O-CB 3.26Å; V190-M194 WeakPolarHBondContact O-CG 3.49Å; V190-M194 PolarHBondContact O-N 2.77Å; G191-M194 PolarHBondContact O-N 2.85Å; M194-A196 VanDerWaalsContact C-N 3.28Å; M194-M228 HydrophobicContact CE-CE 4.27Å; M194-M228 HydrophobicContact CE-CG 3.83Å; M194-M228 VanDerWaalsContact CE-O 3.25Å; M194-M228 WeakPolarHBondContact CE-O 3.26Å; M194-M228 HydrophobicContact CG-CG 3.83Å; M194-M228 HydrophobicContact SD-CB 4.19Å; M194-M228 HydrophobicContact SD-CG 3.8Å; M194-F229 HydrophobicContact SD-CD1 4.02Å; M194-F229 HydrophobicContact SD-CE1 4.34Å; M194-M231 HydrophobicContact CE-CB 4.22Å; M194-H232 HydrophobicContact CE-CB 3.53Å; M194-H232 PolarHBondContact O-CD2 3.18Å; M194-H232 VanDerWaalsContact O-CD2 3.29Å; M194-H232 PolarHBondContact O-NE2 3.4Å; M194-H232 HydrophobicContact SD-CB 3.9Å
195D98.7Very high98.5Very high107 Ų10715.3 Ų15.357%0.5728%0.08SC*.THydrogen-bonded Turntrans-78.3-11.7172.6-74.5-13.4000113.1R156 G191 I193R156-D195 IonicContact CZ-OD2 2.61Å; R156-D195 IonicContact NH1-OD2 3.39Å; R156-D195 PolarHBondContact NH1-OD2 2.99Å; R156-D195 IonicContact NH2-OD2 2.74Å; R156-D195 PolarHBondContact NH2-OD2 3.08Å; G191-D195 VanDerWaalsContact O-CG 3.31Å; G191-D195 PolarHBondContact O-N 3.46Å; I193-D195 PolarHBondContact O-N 3.26Å
196A98.8Very high98.5Very high6 Ų618 Ų185%0.0510%0.103CC..SBendtrans-63.1151176.800000111.3I131 F134 I193 M194 E198 V199 H232I131-A196 HydrophobicContact CB-CB 3.92Å; I131-A196 HydrophobicContact CG2-CB 4.07Å; I131-A196 CarbonylContact O-C 3.58Å; I131-A196 VanDerWaalsContact O-CA 3.28Å; I131-A196 WeakPolarHBondContact O-CA 3.42Å; F134-A196 HydrophobicContact CB-CB 3.69Å; F134-A196 HydrophobicContact CD2-CB 4.41Å; I193-A196 VanDerWaalsContact O-CB 3.24Å; I193-A196 WeakPolarHBondContact O-CB 3.18Å; I193-A196 PolarHBondContact O-N 3.43Å; I193-A196 VanDerWaalsContact O-N 3.13Å; M194-A196 VanDerWaalsContact C-N 3.28Å; A196-E198 PolarHBondContact O-N 3.02Å; A196-V199 HydrophobicContact CB-CG1 4Å; A196-H232 PolarHBondContact O-CE1 3.06Å; A196-H232 PolarHBondContact O-NE2 2.66Å
197K98.7Very high98.3Very high131 Ų13124 Ų2457%0.5713%0.13SC*.SBendtrans-65.8-33.2176.2-61.6-60.1-172.1-176.60111.9I131 N234I131-K197 PolarHBondContact O-N 3.36Å; K197-N234 WeakPolarHBondContact O-CB 3.37Å; K197-N234 PolarHBondContact O-ND2 2.94Å
198E98.8Very high98.2Very high10 Ų1025.1 Ų25.15%0.04714%0.136CC..  trans-144.9142.7179.1-175.4163.1-167.100110.5R2 Y19 K23 Q132 L133 F134 A196 N234R2-E198 IonicContact CZ-OE1 3.4Å; R2-E198 IonicContact NH1-OE1 3.93Å; R2-E198 IonicContact NH2-OE1 2.7Å; R2-E198 PolarHBondContact NH2-OE1 3.09Å; Y19-E198 WeakPolarHBondContact CE1-OE1 3.16Å; Y19-E198 VanDerWaalsContact OH-CD 3.26Å; Y19-E198 PolarHBondContact OH-OE1 3.25Å; Y19-E198 PolarHBondContact OH-OE2 2.93Å; K23-E198 WeakPolarHBondContact CE-OE2 3.3Å; K23-E198 IonicContact NZ-OE2 3.25Å; K23-E198 PolarHBondContact NZ-OE2 3.49Å; Q132-E198 PolarHBondContact O-N 3.28Å; L133-E198 CarbonylContact C-O 3.56Å; L133-E198 WeakPolarHBondContact CA-O 3.5Å; L133-E198 HydrophobicContact CD1-CB 4.05Å; L133-E198 HydrophobicContact CD1-CG 3.78Å; F134-E198 PolarHBondContact N-O 2.79Å; A196-E198 PolarHBondContact O-N 3.02Å; E198-N234 HydrophobicContact CB-CB 4.35Å; E198-N234 HydrophobicContact CG-CB 4.3Å
199V98.8Very high98.2Very high0 Ų025.3 Ų25.30%014%0.137CC..EExtended strand (participates in β ladder)trans-126136.7176-57.70000110.5F134 I193 A196 F229 H232 N234 A235 M236F134-V199 HydrophobicContact CB-CG1 4.11Å; F134-V199 CarbonylContact O-C 3.55Å; F134-V199 WeakPolarHBondContact O-CA 3.32Å; I193-V199 HydrophobicContact CG2-CG1 4.04Å; I193-V199 WeakPolarHBondContact O-CG1 3.41Å; A196-V199 HydrophobicContact CB-CG1 4Å; V199-F229 HydrophobicContact CB-CD2 4.29Å; V199-F229 HydrophobicContact CB-CE2 3.57Å; V199-F229 HydrophobicContact CB-CZ 3.92Å; V199-F229 HydrophobicContact CG1-CE2 4.49Å; V199-F229 HydrophobicContact CG1-CZ 4.41Å; V199-F229 HydrophobicContact CG2-CD2 3.48Å; V199-F229 VanDerWaalsContact CG2-CD2 3.48Å; V199-F229 HydrophobicContact CG2-CE2 3.28Å; V199-F229 HydrophobicContact CG2-CG 4.18Å; V199-F229 HydrophobicContact CG2-CZ 3.9Å; V199-H232 HydrophobicContact CG2-CB 4.3Å; V199-N234 PolarHBondContact N-O 2.79Å; V199-A235 HydrophobicContact CG2-CB 3.62Å; V199-M236 PolarHBondContact O-N 2.85Å
200M98.7Very high98.2Very high0 Ų029.8 Ų29.80%016%0.16CC..EExtended strand (participates in β ladder)trans-131.6120.8179-178.4171.767.200110.4A16 Y19 I20 L133 F134 V135 G136 L202 M236 V238A16-M200 HydrophobicContact CB-CE 3.85Å; A16-M200 HydrophobicContact CB-SD 4.35Å; Y19-M200 HydrophobicContact CD1-SD 4.02Å; Y19-M200 HydrophobicContact CG-SD 4.28Å; I20-M200 HydrophobicContact CD1-CE 4.11Å; I20-M200 HydrophobicContact CG1-CE 4.06Å; L133-M200 HydrophobicContact CD1-CB 4.21Å; F134-M200 PolarHBondContact O-N 3.38Å; V135-M200 CarbonylContact C-O 3.54Å; V135-M200 VanDerWaalsContact CA-O 3.32Å; V135-M200 WeakPolarHBondContact CA-O 3.28Å; V135-M200 HydrophobicContact CG1-CE 3.93Å; V135-M200 HydrophobicContact CG2-CE 3.87Å; G136-M200 PolarHBondContact N-O 3.19Å; M200-L202 HydrophobicContact CE-CD2 4.47Å; M200-L202 HydrophobicContact CG-CD2 4.16Å; M200-L202 HydrophobicContact SD-CD2 4.37Å; M200-M236 CarbonylContact C-O 3.56Å; M200-M236 VanDerWaalsContact CA-O 3.32Å; M200-M236 WeakPolarHBondContact CA-O 3.22Å; M200-M236 HydrophobicContact CG-CB 4.48Å; M200-M236 HydrophobicContact CG-SD 4.33Å; M200-M236 HydrophobicContact SD-SD 4.15Å; M200-V238 HydrophobicContact CG-CG2 4.06Å; M200-V238 HydrophobicContact SD-CG2 4.14Å
201I98.2Very high98.1Very high4 Ų429.7 Ų29.72%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-105.9133.8174.2-60.4-52.6000110.6G136 I138 I144 F229 M236 I237 V238G136-I201 CarbonylContact O-C 3.59Å; G136-I201 VanDerWaalsContact O-CA 3.29Å; G136-I201 WeakPolarHBondContact O-CA 3.5Å; I138-I201 HydrophobicContact CB-CG2 3.88Å; I138-I201 HydrophobicContact CG2-CG2 4.18Å; I144-I201 HydrophobicContact CD1-CD1 3.33Å; I144-I201 HydrophobicContact CG1-CD1 4.37Å; I201-F229 HydrophobicContact CD1-CD2 4.5Å; I201-F229 HydrophobicContact CD1-CE2 3.5Å; I201-F229 HydrophobicContact CD1-CZ 3.64Å; I201-F229 HydrophobicContact CG1-CD2 3.78Å; I201-F229 HydrophobicContact CG1-CE2 3.21Å; I201-F229 HydrophobicContact CG1-CZ 3.84Å; I201-M236 PolarHBondContact N-O 2.89Å; I201-I237 CarbonylContact O-C 3.5Å; I201-I237 WeakPolarHBondContact O-CA 3.44Å; I201-V238 PolarHBondContact O-N 2.8Å
202L98.6Very high98.1Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-99.8129.9168.6-48.3-170.2000110.2V12 A16 T44 M45 M48 G136 M200 V238V12-L202 HydrophobicContact CG1-CB 4.06Å; V12-L202 HydrophobicContact CG1-CD1 4.38Å; V12-L202 HydrophobicContact CG1-CD2 4.06Å; V12-L202 HydrophobicContact CG1-CG 4.38Å; A16-L202 HydrophobicContact CB-CD1 3.67Å; A16-L202 HydrophobicContact CB-CD2 3.63Å; A16-L202 HydrophobicContact CB-CG 4.3Å; T44-L202 HydrophobicContact CG2-CB 3.9Å; M45-L202 HydrophobicContact CE-CB 4.16Å; M45-L202 HydrophobicContact CE-CG 4.49Å; M45-L202 HydrophobicContact SD-CB 4.29Å; M45-L202 HydrophobicContact SD-CD1 3.76Å; M45-L202 HydrophobicContact SD-CG 4.17Å; M48-L202 HydrophobicContact SD-CD1 4Å; G136-L202 PolarHBondContact O-N 2.98Å; M200-L202 HydrophobicContact CE-CD2 4.47Å; M200-L202 HydrophobicContact CG-CD2 4.16Å; M200-L202 HydrophobicContact SD-CD2 4.37Å; L202-V238 WeakPolarHBondContact CA-O 3.35Å; L202-V238 HydrophobicContact CD2-CB 3.76Å; L202-V238 HydrophobicContact CD2-CG2 3.95Å
203A98Very high98.1Very high0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-132.6111.6178.200000110I138 I212 V238 C239 D240 S243I138-A203 HydrophobicContact CG2-CB 3.64Å; A203-I212 HydrophobicContact CB-CD1 3.49Å; A203-I212 VanDerWaalsContact CB-CD1 3.49Å; A203-I212 HydrophobicContact CB-CG1 3.91Å; A203-V238 PolarHBondContact N-O 3.42Å; A203-C239 WeakPolarHBondContact O-CA 3.35Å; A203-D240 PolarHBondContact O-N 2.96Å; A203-S243 PolarHBondContact O-OG 2.83Å
204C97.8Very high98.1Very high10 Ų1033.1 Ų33.17%0.06817%0.173CC..  trans-124.6139.4178.9-47.60000111.2A9 T44 Q207 K208 D240A9-C204 HydrophobicContact CB-CB 3.79Å; T44-C204 HydrophobicContact CG2-CB 4.46Å; C204-Q207 PolarHBondContact O-NE2 2.93Å; C204-K208 WeakPolarHBondContact O-CG 3.32Å; C204-D240 WeakPolarHBondContact CA-OD1 3.17Å; C204-D240 VanDerWaalsContact CA-OD2 3.25Å; C204-D240 WeakPolarHBondContact CA-OD2 3.44Å; C204-D240 WeakPolarHBondContact CB-OD2 3.13Å
205G97.1Very high98.1Very high9 Ų931.7 Ų31.79%0.09317%0.166CC..SBendtrans88.8153.4174.100000114.6Q207 K208 D240G205-Q207 VanDerWaalsContact C-OE1 3.29Å; G205-Q207 PolarHBondContact O-N 3.29Å; G205-Q207 VanDerWaalsContact O-N 3.11Å; G205-K208 PolarHBondContact O-N 2.97Å; G205-D240 VanDerWaalsContact N-CG 3.3Å; G205-D240 PolarHBondContact N-OD1 3.4Å; G205-D240 PolarHBondContact N-OD2 2.99Å
206A97.4Very high98Very high57 Ų5727.7 Ų27.747%0.47114%0.144SC..G310 helixtrans-59.8-26.9-175.100000113.3K208 A209 D242A206-K208 PolarHBondContact O-N 2.87Å; A206-A209 VanDerWaalsContact O-CB 3.3Å; A206-A209 WeakPolarHBondContact O-CB 3.34Å; A206-A209 PolarHBondContact O-N 3.31Å; A206-D242 WeakPolarHBondContact CA-O 3.39Å; A206-D242 HydrophobicContact CB-CB 4.29Å
207Q94.7Very high98Very high124 Ų12429.3 Ų29.358%0.57915%0.151SC*.G310 helixtrans-60.6-13.4174.269.2-81.38.700113.9C204 G205C204-Q207 PolarHBondContact O-NE2 2.93Å; G205-Q207 VanDerWaalsContact C-OE1 3.29Å; G205-Q207 PolarHBondContact O-N 3.29Å; G205-Q207 VanDerWaalsContact O-N 3.11Å
208K96.8Very high98Very high25 Ų2528.4 Ų28.411%0.10915%0.147CC..G310 helixtrans-100.5-6.7176.4-53.7-53.1179.370.70113.3I138 C204 G205 A206 I210 A211 I212I138-K208 HydrophobicContact CG2-CB 4.49Å; I138-K208 HydrophobicContact CG2-CD 4.48Å; I138-K208 WeakPolarHBondContact O-CD 3.48Å; I138-K208 WeakPolarHBondContact O-CE 3.48Å; I138-K208 PolarHBondContact O-NZ 3.05Å; C204-K208 WeakPolarHBondContact O-CG 3.32Å; G205-K208 PolarHBondContact O-N 2.97Å; A206-K208 PolarHBondContact O-N 2.87Å; K208-I210 PolarHBondContact O-N 3Å; K208-A211 WeakPolarHBondContact O-CB 3.43Å; K208-A211 PolarHBondContact O-N 2.83Å; K208-A211 VanDerWaalsContact O-N 3.11Å; K208-I212 HydrophobicContact CB-CG1 4.5Å; K208-I212 WeakPolarHBondContact O-CG1 3.47Å; K208-I212 PolarHBondContact O-N 3.01Å
209A98.4Very high98Very high4 Ų430.3 Ų30.33%0.03317%0.17CC..Hα-helixtrans-60.4-41.9-171.700000113.3A206 I212 K213 S243 M245 E246A206-A209 VanDerWaalsContact O-CB 3.3Å; A206-A209 WeakPolarHBondContact O-CB 3.34Å; A206-A209 PolarHBondContact O-N 3.31Å; A209-I212 PolarHBondContact O-N 2.98Å; A209-K213 WeakPolarHBondContact O-CB 3.45Å; A209-K213 PolarHBondContact O-N 3.45Å; A209-S243 VanDerWaalsContact CA-O 3.32Å; A209-S243 WeakPolarHBondContact CA-O 3.48Å; A209-M245 HydrophobicContact CB-CB 4.29Å; A209-E246 HydrophobicContact CB-CB 3.93Å; A209-E246 HydrophobicContact CB-CG 3.69Å; A209-E246 WeakPolarHBondContact O-CB 3.43Å
210I98.1Very high98Very high94 Ų9433.1 Ų33.148%0.48219%0.187SC..Hα-helixtrans-63.6-43.9176.8-62.9175000111K208 K213 N214 W224 E246K208-I210 PolarHBondContact O-N 3Å; I210-K213 PolarHBondContact O-N 3.02Å; I210-N214 PolarHBondContact O-N 3Å; I210-N214 PolarHBondContact O-ND2 3.03Å; I210-W224 HydrophobicContact CG2-CH2 3.77Å; I210-W224 HydrophobicContact CG2-CZ3 4.28Å; I210-E246 HydrophobicContact CG1-CG 4.06Å
211A97.8Very high97.9Very high0 Ų036.3 Ų36.30%020%0.204CC..Hα-helixtrans-60.7-47.7176.600000110.9I138 G139 K208 K213 N214 V215 W224I138-A211 HydrophobicContact CD1-CB 3.78Å; I138-A211 HydrophobicContact CG1-CB 4.14Å; G139-A211 WeakPolarHBondContact O-CB 3.35Å; K208-A211 WeakPolarHBondContact O-CB 3.43Å; K208-A211 PolarHBondContact O-N 2.83Å; K208-A211 VanDerWaalsContact O-N 3.11Å; A211-K213 VanDerWaalsContact C-N 3.35Å; A211-K213 PolarHBondContact O-N 3.34Å; A211-N214 PolarHBondContact O-N 3Å; A211-N214 VanDerWaalsContact O-N 3.13Å; A211-V215 WeakPolarHBondContact O-CB 3.34Å; A211-V215 VanDerWaalsContact O-CG2 3.32Å; A211-V215 WeakPolarHBondContact O-CG2 3.42Å; A211-V215 PolarHBondContact O-N 3.46Å; A211-W224 HydrophobicContact CB-CZ3 4.27Å
212I98.5Very high97.9Very high0 Ų040.3 Ų40.30%022%0.222CC..Hα-helixtrans-60.8-42.1179.3-69.3-64.8000112I138 A203 K208 A209 N214 V215 I216 I237 S243 L247I138-I212 HydrophobicContact CD1-CD1 4.24Å; I138-I212 HydrophobicContact CG2-CD1 4.33Å; A203-I212 HydrophobicContact CB-CD1 3.49Å; A203-I212 VanDerWaalsContact CB-CD1 3.49Å; A203-I212 HydrophobicContact CB-CG1 3.91Å; K208-I212 HydrophobicContact CB-CG1 4.5Å; K208-I212 WeakPolarHBondContact O-CG1 3.47Å; K208-I212 PolarHBondContact O-N 3.01Å; A209-I212 PolarHBondContact O-N 2.98Å; I212-N214 PolarHBondContact O-N 3.37Å; I212-V215 PolarHBondContact O-N 2.88Å; I212-I216 HydrophobicContact CG2-CD1 3.69Å; I212-I216 WeakPolarHBondContact O-CB 3.3Å; I212-I216 WeakPolarHBondContact O-CG1 3.46Å; I212-I216 PolarHBondContact O-N 2.92Å; I212-I237 HydrophobicContact CD1-CG2 3.85Å; I212-S243 WeakPolarHBondContact CB-O 3.4Å; I212-S243 WeakPolarHBondContact CG2-O 3.44Å; I212-L247 HydrophobicContact CG2-CD1 4.02Å; I212-L247 HydrophobicContact CG2-CD2 4.14Å; I212-L247 HydrophobicContact CG2-CG 4.2Å
213K98.6Very high97.9Very high58 Ų5844.5 Ų44.525%0.25224%0.243SC..Hα-helixtrans-57.9-47.6172.3-177.1-159.6-147.2151.30112.7A209 I210 A211 E217 E246 L247A209-K213 WeakPolarHBondContact O-CB 3.45Å; A209-K213 PolarHBondContact O-N 3.45Å; I210-K213 PolarHBondContact O-N 3.02Å; A211-K213 VanDerWaalsContact C-N 3.35Å; A211-K213 PolarHBondContact O-N 3.34Å; K213-E217 WeakPolarHBondContact O-CB 3.47Å; K213-E217 PolarHBondContact O-N 3.38Å; K213-E246 HydrophobicContact CB-CB 3.89Å; K213-E246 HydrophobicContact CD-CB 4.09Å; K213-E246 WeakPolarHBondContact CD-O 3.33Å; K213-E246 WeakPolarHBondContact CE-O 3.25Å; K213-E246 HydrophobicContact CG-CB 4.38Å; K213-E246 WeakPolarHBondContact CG-O 3.44Å; K213-E246 IonicContact NZ-OE2 2.8Å; K213-E246 PolarHBondContact NZ-OE2 3.22Å; K213-L247 HydrophobicContact CB-CD2 4.27Å
214N98.6Very high97.9Very high26 Ų2647.1 Ų47.114%0.13925%0.253CS..Hα-helixtrans-68.9-36.3-179.4-76.6-78000112.1I210 A211 I212 K218 W224I210-N214 PolarHBondContact O-N 3Å; I210-N214 PolarHBondContact O-ND2 3.03Å; A211-N214 PolarHBondContact O-N 3Å; A211-N214 VanDerWaalsContact O-N 3.13Å; I212-N214 PolarHBondContact O-N 3.37Å; N214-K218 HydrophobicContact CB-CG 4.44Å; N214-K218 WeakPolarHBondContact O-CB 3.48Å; N214-W224 HydrophobicContact CB-CB 4.27Å; N214-W224 HydrophobicContact CB-CD2 3.36Å; N214-W224 HydrophobicContact CB-CE3 3.68Å; N214-W224 HydrophobicContact CB-CG 3.61Å; N214-W224 HydrophobicContact CB-CZ2 4.26Å; N214-W224 HydrophobicContact CB-CZ3 4.28Å; N214-W224 WeakPolarHBondContact ND2-CZ2 3.26Å
215V98.3Very high98Very high1 Ų146.7 Ų46.71%0.00625%0.25CC..Hα-helixtrans-71.2-35178.8168.90000112.9I138 A211 I212 A226 Q230 I237I138-V215 HydrophobicContact CD1-CB 4.45Å; I138-V215 HydrophobicContact CD1-CG2 3.66Å; A211-V215 WeakPolarHBondContact O-CB 3.34Å; A211-V215 VanDerWaalsContact O-CG2 3.32Å; A211-V215 WeakPolarHBondContact O-CG2 3.42Å; A211-V215 PolarHBondContact O-N 3.46Å; I212-V215 PolarHBondContact O-N 2.88Å; V215-A226 HydrophobicContact CG1-CB 4.32Å; V215-A226 HydrophobicContact CG2-CB 3.67Å; V215-Q230 PolarHBondContact O-NE2 3.18Å; V215-I237 HydrophobicContact CG1-CD1 3.73Å
216I98.1Very high98Very high22 Ų2246.4 Ų46.411%0.11325%0.246CC..Hα-helixtrans-98.1-44-174.2-62.9175000112.6M1 V3 I212 I237 L247 T251 F255M1-I216 HydrophobicContact SD-CG1 4.28Å; V3-I216 HydrophobicContact CG1-CD1 3.99Å; V3-I216 HydrophobicContact CG2-CD1 3.84Å; V3-I216 HydrophobicContact CG2-CG1 4.46Å; I212-I216 HydrophobicContact CG2-CD1 3.69Å; I212-I216 WeakPolarHBondContact O-CB 3.3Å; I212-I216 WeakPolarHBondContact O-CG1 3.46Å; I212-I216 PolarHBondContact O-N 2.92Å; I216-I237 HydrophobicContact CD1-CD1 4.17Å; I216-I237 HydrophobicContact CG1-CD1 3.91Å; I216-L247 HydrophobicContact CB-CD2 4.4Å; I216-L247 HydrophobicContact CD1-CD1 4.38Å; I216-T251 HydrophobicContact CG2-CG2 4.16Å; I216-F255 HydrophobicContact CG2-CE2 4.12Å
217E98.5Very high98.1Very high40 Ų4043.7 Ų43.719%0.18722%0.224CC..Hα-helixtrans-101.9-12.2-169.6-59.4-160.9157.400114.8K213 L247 K248 T251K213-E217 WeakPolarHBondContact O-CB 3.47Å; K213-E217 PolarHBondContact O-N 3.38Å; E217-L247 HydrophobicContact CG-CD2 3.84Å; E217-K248 WeakPolarHBondContact OE1-CB 3.31Å; E217-K248 WeakPolarHBondContact OE1-CG 3.25Å; E217-K248 PolarHBondContact OE1-N 3.16Å; E217-K248 WeakPolarHBondContact OE2-CD 3.29Å; E217-K248 VanDerWaalsContact OE2-CE 3.31Å; E217-K248 WeakPolarHBondContact OE2-CE 3.39Å; E217-K248 WeakPolarHBondContact OE2-CG 3.47Å; E217-K248 IonicContact OE2-NZ 3.91Å; E217-T251 HydrophobicContact CG-CG2 4.37Å; E217-T251 VanDerWaalsContact OE1-CB 3.26Å; E217-T251 WeakPolarHBondContact OE1-CB 3.48Å; E217-T251 PolarHBondContact OE1-OG1 3.41Å
218K98.3Very high98.2Very high112 Ų11239.5 Ų39.549%0.48721%0.205SC..SBendtrans-101.7175.6175.3-53.4-63.2-174.7171.80110.2N214 Q230N214-K218 HydrophobicContact CB-CG 4.44Å; N214-K218 WeakPolarHBondContact O-CB 3.48Å; K218-Q230 PolarHBondContact O-NE2 2.84Å
219G97.9Very high98.3Very high51 Ų5138.4 Ų38.453%0.52620%0.2SC..  trans-78.6163.2176.900000112.6N221G219-N221 PolarHBondContact O-N 3.25Å
220V98.6Very high98.3Very high59 Ų5941.4 Ų41.436%0.35821%0.213SC..  trans-53.2123.4170.8179.20000110.1L153 M228 Q230 M231L153-V220 HydrophobicContact CD1-CG1 3.52Å; V220-M228 HydrophobicContact CG1-SD 3.89Å; V220-Q230 HydrophobicContact CG2-CB 4.11Å; V220-M231 HydrophobicContact CG2-CG 3.85Å; V220-M231 HydrophobicContact CG2-SD 4.09Å
221N98.1Very high98.3Very high66 Ų6643 Ų4335%0.35322%0.22SC..  trans-152.2132.3-174-175.3-21.5000110.9G219 M223 W224 S227G219-N221 PolarHBondContact O-N 3.25Å; N221-M223 PolarHBondContact O-N 3.46Å; N221-M223 WeakPolarHBondContact OD1-CB 3.42Å; N221-M223 PolarHBondContact OD1-N 3.05Å; N221-W224 CarbonylContact O-C 3.55Å; N221-W224 VanDerWaalsContact O-C 3.24Å; N221-W224 PolarHBondContact O-N 2.77Å; N221-S227 PolarHBondContact N-OG 3.15Å; N221-S227 PolarHBondContact O-OG 2.66Å; N221-S227 VanDerWaalsContact O-OG 3.11Å
222H98.4Very high98.3Very high89 Ų8943.3 Ų43.341%0.41222%0.222SC..THydrogen-bonded Turntrans-66.4-12177.374162000115.5G150 S151 L153 W224 T225G150-H222 PolarHBondContact N-O 2.9Å; S151-H222 WeakPolarHBondContact O-CB 3.36Å; L153-H222 HydrophobicContact CD2-CB 4.19Å; L153-H222 HydrophobicContact CG-CB 4.04Å; H222-W224 VanDerWaalsContact C-N 3.29Å; H222-T225 VanDerWaalsContact O-CG2 3.3Å; H222-T225 WeakPolarHBondContact O-CG2 3.27Å
223M98.2Very high98.3Very high87 Ų8748.5 Ų48.543%0.42926%0.255SS..THydrogen-bonded Turntrans-76.9-18.3171-64.6-55.1-68.300112.6P149 N221P149-M223 HydrophobicContact CB-CE 3.67Å; P149-M223 HydrophobicContact CB-SD 4.12Å; N221-M223 PolarHBondContact O-N 3.46Å; N221-M223 WeakPolarHBondContact OD1-CB 3.42Å; N221-M223 PolarHBondContact OD1-N 3.05Å
224W98.1Very high98.3Very high56 Ų5649.7 Ų49.721%0.21226%0.264CS..SBendtrans-131.574.2177.1-57.193.7000107.2D141 I210 A211 N214 N221 H222 A226 S227D141-W224 VanDerWaalsContact C-CE3 3.44Å; D141-W224 VanDerWaalsContact C-CZ3 3.44Å; D141-W224 WeakPolarHBondContact O-CZ3 3.33Å; I210-W224 HydrophobicContact CG2-CH2 3.77Å; I210-W224 HydrophobicContact CG2-CZ3 4.28Å; A211-W224 HydrophobicContact CB-CZ3 4.27Å; N214-W224 HydrophobicContact CB-CB 4.27Å; N214-W224 HydrophobicContact CB-CD2 3.36Å; N214-W224 HydrophobicContact CB-CE3 3.68Å; N214-W224 HydrophobicContact CB-CG 3.61Å; N214-W224 HydrophobicContact CB-CZ2 4.26Å; N214-W224 HydrophobicContact CB-CZ3 4.28Å; N214-W224 WeakPolarHBondContact ND2-CZ2 3.26Å; N221-W224 CarbonylContact O-C 3.55Å; N221-W224 VanDerWaalsContact O-C 3.24Å; N221-W224 PolarHBondContact O-N 2.77Å; H222-W224 VanDerWaalsContact C-N 3.29Å; W224-A226 PolarHBondContact O-N 3.37Å; W224-A226 VanDerWaalsContact O-N 3.1Å; W224-S227 WeakPolarHBondContact O-CB 3.49Å; W224-S227 PolarHBondContact O-N 2.87Å; W224-S227 PolarHBondContact O-OG 3.2Å
225T98.6Very high98.3Very high1 Ų148.5 Ų48.51%0.00626%0.259CS..G310 helixtrans-60.2-29.3-162.2550000114.3G142 H143 I144 N147 L153 V190 H222 S227 M228G142-T225 PolarHBondContact O-N 3.4Å; H143-T225 WeakPolarHBondContact CA-OG1 3.44Å; I144-T225 PolarHBondContact N-OG1 2.99Å; N147-T225 HydrophobicContact CB-CG2 4.25Å; N147-T225 WeakPolarHBondContact O-CG2 3.36Å; N147-T225 PolarHBondContact O-OG1 2.89Å; L153-T225 HydrophobicContact CD2-CG2 4.37Å; V190-T225 HydrophobicContact CG2-CG2 4.36Å; H222-T225 VanDerWaalsContact O-CG2 3.3Å; H222-T225 WeakPolarHBondContact O-CG2 3.27Å; T225-S227 PolarHBondContact O-N 3.42Å; T225-S227 VanDerWaalsContact O-N 3.17Å; T225-M228 WeakPolarHBondContact O-CB 3.4Å; T225-M228 PolarHBondContact O-N 3.09Å; T225-M228 VanDerWaalsContact O-N 3.16Å
226A98.4Very high98.3Very high2 Ų248.5 Ų48.52%0.01726%0.258CS..G310 helixtrans-62.7-16.6172.100000114I138 G142 I144 V215 W224 M228 F229I138-A226 HydrophobicContact CD1-CB 4Å; I138-A226 HydrophobicContact CG1-CB 4.3Å; G142-A226 WeakPolarHBondContact O-CB 3.31Å; G142-A226 PolarHBondContact O-N 2.91Å; I144-A226 HydrophobicContact CB-CB 4.34Å; V215-A226 HydrophobicContact CG1-CB 4.32Å; V215-A226 HydrophobicContact CG2-CB 3.67Å; W224-A226 PolarHBondContact O-N 3.37Å; W224-A226 VanDerWaalsContact O-N 3.1Å; A226-M228 PolarHBondContact O-N 3.45Å; A226-M228 VanDerWaalsContact O-N 3.1Å; A226-F229 VanDerWaalsContact O-CB 3.28Å; A226-F229 WeakPolarHBondContact O-CB 3.33Å; A226-F229 WeakPolarHBondContact O-CD1 3.22Å; A226-F229 WeakPolarHBondContact O-CG 3.48Å; A226-F229 PolarHBondContact O-N 3.34Å
227S98.6Very high98.3Very high0 Ų047.6 Ų47.60%025%0.254CS..G310 helixtrans-59.7-20.1172.6660000112.8N221 W224 T225 F229 Q230N221-S227 PolarHBondContact N-OG 3.15Å; N221-S227 PolarHBondContact O-OG 2.66Å; N221-S227 VanDerWaalsContact O-OG 3.11Å; W224-S227 WeakPolarHBondContact O-CB 3.49Å; W224-S227 PolarHBondContact O-N 2.87Å; W224-S227 PolarHBondContact O-OG 3.2Å; T225-S227 PolarHBondContact O-N 3.42Å; T225-S227 VanDerWaalsContact O-N 3.17Å; S227-F229 PolarHBondContact O-N 2.85Å; S227-F229 VanDerWaalsContact O-N 3.1Å; S227-Q230 WeakPolarHBondContact O-CB 3.4Å; S227-Q230 WeakPolarHBondContact O-CG 3.2Å; S227-Q230 PolarHBondContact O-N 3.02Å; S227-Q230 VanDerWaalsContact O-N 3.11Å
228M98.3Very high98.3Very high36 Ų3645.7 Ų45.718%0.17725%0.245CC..G310 helixtrans-59.1-21.4173.2-163.360.7-167.200112.8L153 V190 M194 V220 T225 A226 Q230 M231L153-M228 HydrophobicContact CB-SD 3.96Å; L153-M228 HydrophobicContact CD1-SD 4.04Å; L153-M228 HydrophobicContact CD2-CB 4.32Å; L153-M228 HydrophobicContact CG-SD 4.46Å; V190-M228 HydrophobicContact CG1-CB 3.84Å; V190-M228 HydrophobicContact CG1-CG 3.88Å; M194-M228 HydrophobicContact CE-CE 4.27Å; M194-M228 HydrophobicContact CE-CG 3.83Å; M194-M228 VanDerWaalsContact CE-O 3.25Å; M194-M228 WeakPolarHBondContact CE-O 3.26Å; M194-M228 HydrophobicContact CG-CG 3.83Å; M194-M228 HydrophobicContact SD-CB 4.19Å; M194-M228 HydrophobicContact SD-CG 3.8Å; V220-M228 HydrophobicContact CG1-SD 3.89Å; T225-M228 WeakPolarHBondContact O-CB 3.4Å; T225-M228 PolarHBondContact O-N 3.09Å; T225-M228 VanDerWaalsContact O-N 3.16Å; A226-M228 PolarHBondContact O-N 3.45Å; A226-M228 VanDerWaalsContact O-N 3.1Å; M228-Q230 PolarHBondContact O-N 3.14Å; M228-Q230 VanDerWaalsContact O-N 3.12Å; M228-M231 HydrophobicContact CE-CB 3.94Å; M228-M231 HydrophobicContact CE-CG 4.08Å; M228-M231 WeakPolarHBondContact O-CB 3.08Å; M228-M231 PolarHBondContact O-N 2.98Å; M228-M231 HydrophobicContact SD-CB 4.41Å; M228-M231 HydrophobicContact SD-CG 4.16Å
229F98Very high98.3Very high2 Ų240.3 Ų40.31%0.00922%0.222CC..G310 helixtrans-64.9-17.4178.4-77.237.4000112.4I144 I193 M194 V199 I201 A226 S227 M231 H232 A235I144-F229 HydrophobicContact CG1-CE1 4.35Å; I144-F229 HydrophobicContact CG1-CZ 4.28Å; I193-F229 HydrophobicContact CG2-CE1 4.06Å; I193-F229 HydrophobicContact CG2-CZ 3.83Å; M194-F229 HydrophobicContact SD-CD1 4.02Å; M194-F229 HydrophobicContact SD-CE1 4.34Å; V199-F229 HydrophobicContact CB-CD2 4.29Å; V199-F229 HydrophobicContact CB-CE2 3.57Å; V199-F229 HydrophobicContact CB-CZ 3.92Å; V199-F229 HydrophobicContact CG1-CE2 4.49Å; V199-F229 HydrophobicContact CG1-CZ 4.41Å; V199-F229 HydrophobicContact CG2-CD2 3.48Å; V199-F229 VanDerWaalsContact CG2-CD2 3.48Å; V199-F229 HydrophobicContact CG2-CE2 3.28Å; V199-F229 HydrophobicContact CG2-CG 4.18Å; V199-F229 HydrophobicContact CG2-CZ 3.9Å; I201-F229 HydrophobicContact CD1-CD2 4.5Å; I201-F229 HydrophobicContact CD1-CE2 3.5Å; I201-F229 HydrophobicContact CD1-CZ 3.64Å; I201-F229 HydrophobicContact CG1-CD2 3.78Å; I201-F229 HydrophobicContact CG1-CE2 3.21Å; I201-F229 HydrophobicContact CG1-CZ 3.84Å; A226-F229 VanDerWaalsContact O-CB 3.28Å; A226-F229 WeakPolarHBondContact O-CB 3.33Å; A226-F229 WeakPolarHBondContact O-CD1 3.22Å; A226-F229 WeakPolarHBondContact O-CG 3.48Å; A226-F229 PolarHBondContact O-N 3.34Å; S227-F229 PolarHBondContact O-N 2.85Å; S227-F229 VanDerWaalsContact O-N 3.1Å; F229-M231 PolarHBondContact O-N 3.3Å; F229-H232 PolarHBondContact O-N 3.11Å; F229-A235 HydrophobicContact CB-CB 3.95Å; F229-A235 HydrophobicContact CD2-CB 4.06Å; F229-A235 HydrophobicContact CG-CB 4.38Å; F229-A235 WeakPolarHBondContact O-CB 3.21Å
230Q98.3Very high98.3Very high68 Ų6838.3 Ų38.332%0.31820%0.199SC..G310 helixtrans-60.7-27.5168.3-65.4179.833.400112.6M1 V215 K218 V220 S227 M228M1-Q230 HydrophobicContact CE-CB 4.15Å; M1-Q230 HydrophobicContact CE-CG 3.49Å; M1-Q230 VanDerWaalsContact CE-CG 3.49Å; V215-Q230 PolarHBondContact O-NE2 3.18Å; K218-Q230 PolarHBondContact O-NE2 2.84Å; V220-Q230 HydrophobicContact CG2-CB 4.11Å; S227-Q230 WeakPolarHBondContact O-CB 3.4Å; S227-Q230 WeakPolarHBondContact O-CG 3.2Å; S227-Q230 PolarHBondContact O-N 3.02Å; S227-Q230 VanDerWaalsContact O-N 3.11Å; M228-Q230 PolarHBondContact O-N 3.14Å; M228-Q230 VanDerWaalsContact O-N 3.12Å
231M98.4Very high98.3Very high126 Ų12637.5 Ų37.562%0.62119%0.191SC*.G310 helixtrans-94-4.6-179.7-55.2-57.2-64.900113M194 V220 M228 F229M194-M231 HydrophobicContact CE-CB 4.22Å; V220-M231 HydrophobicContact CG2-CG 3.85Å; V220-M231 HydrophobicContact CG2-SD 4.09Å; M228-M231 HydrophobicContact CE-CB 3.94Å; M228-M231 HydrophobicContact CE-CG 4.08Å; M228-M231 WeakPolarHBondContact O-CB 3.08Å; M228-M231 PolarHBondContact O-N 2.98Å; M228-M231 HydrophobicContact SD-CB 4.41Å; M228-M231 HydrophobicContact SD-CG 4.16Å; F229-M231 PolarHBondContact O-N 3.3Å
232H98.6Very high98.3Very high7 Ų738.6 Ų38.63%0.03220%0.197CC..  trans-85.1132.4-179-165.9-90.9000110.4M194 A196 V199 F229 N234 A235M194-H232 HydrophobicContact CE-CB 3.53Å; M194-H232 PolarHBondContact O-CD2 3.18Å; M194-H232 VanDerWaalsContact O-CD2 3.29Å; M194-H232 PolarHBondContact O-NE2 3.4Å; M194-H232 HydrophobicContact SD-CB 3.9Å; A196-H232 PolarHBondContact O-CE1 3.06Å; A196-H232 PolarHBondContact O-NE2 2.66Å; V199-H232 HydrophobicContact CG2-CB 4.3Å; F229-H232 PolarHBondContact O-N 3.11Å; H232-N234 PolarHBondContact ND1-N 3.4Å; H232-N234 PolarHBondContact ND1-O 2.89Å; H232-N234 PolarHBondContact O-N 3.23Å; H232-A235 HydrophobicContact CB-CB 3.95Å; H232-A235 PolarHBondContact ND1-N 3.1Å
233P98.1Very high98.3Very high109 Ų10934.3 Ų34.371%0.70818%0.177SC*.THydrogen-bonded Turntrans-62-34-177.924.1-33.9000112.6
234N98.3Very high98.3Very high83 Ų8330.4 Ų30.444%0.44416%0.158SC..THydrogen-bonded Turntrans-128.460.2-175.9-61-49.9000112K197 E198 V199 H232K197-N234 WeakPolarHBondContact O-CB 3.37Å; K197-N234 PolarHBondContact O-ND2 2.94Å; E198-N234 HydrophobicContact CB-CB 4.35Å; E198-N234 HydrophobicContact CG-CB 4.3Å; V199-N234 PolarHBondContact N-O 2.79Å; H232-N234 PolarHBondContact ND1-N 3.4Å; H232-N234 PolarHBondContact ND1-O 2.89Å; H232-N234 PolarHBondContact O-N 3.23Å
235A98.3Very high98.3Very high2 Ų233.4 Ų33.42%0.01718%0.176CC..EExtended strand (participates in β ladder)trans-92.5139173.100000112.9M1 R2 V199 F229 H232M1-A235 CarbonylContact C-O 3.54Å; M1-A235 VanDerWaalsContact CA-O 3.28Å; M1-A235 WeakPolarHBondContact CA-O 3.48Å; M1-A235 HydrophobicContact CB-CB 4.15Å; R2-A235 PolarHBondContact N-O 2.79Å; V199-A235 HydrophobicContact CG2-CB 3.62Å; F229-A235 HydrophobicContact CB-CB 3.95Å; F229-A235 HydrophobicContact CD2-CB 4.06Å; F229-A235 HydrophobicContact CG-CB 4.38Å; F229-A235 WeakPolarHBondContact O-CB 3.21Å; H232-A235 HydrophobicContact CB-CB 3.95Å; H232-A235 PolarHBondContact ND1-N 3.1Å
236M98.2Very high98.3Very high0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-126.1136.3169.3-174.9-177.6-64.800110.4R2 I4 F15 Y19 V199 M200 I201 V238R2-M236 HydrophobicContact CB-CB 4.49Å; R2-M236 HydrophobicContact CB-CG 4.29Å; R2-M236 CarbonylContact O-C 3.24Å; R2-M236 WeakPolarHBondContact O-CA 3.47Å; I4-M236 HydrophobicContact CG1-CG 4.09Å; I4-M236 HydrophobicContact CG1-SD 3.94Å; F15-M236 HydrophobicContact CE1-CE 4.49Å; F15-M236 HydrophobicContact CE1-SD 3.59Å; F15-M236 VanDerWaalsContact CE1-SD 3.59Å; F15-M236 HydrophobicContact CZ-CE 4.38Å; F15-M236 HydrophobicContact CZ-SD 3.99Å; Y19-M236 HydrophobicContact CD2-CE 4.11Å; Y19-M236 HydrophobicContact CE1-CE 4.48Å; Y19-M236 HydrophobicContact CE2-CE 3.51Å; Y19-M236 HydrophobicContact CE2-SD 4.5Å; V199-M236 PolarHBondContact O-N 2.85Å; M200-M236 CarbonylContact C-O 3.56Å; M200-M236 VanDerWaalsContact CA-O 3.32Å; M200-M236 WeakPolarHBondContact CA-O 3.22Å; M200-M236 HydrophobicContact CG-CB 4.48Å; M200-M236 HydrophobicContact CG-SD 4.33Å; M200-M236 HydrophobicContact SD-SD 4.15Å; I201-M236 PolarHBondContact N-O 2.89Å; M236-V238 HydrophobicContact CG-CG2 3.94Å; M236-V238 HydrophobicContact SD-CG2 3.71Å
237I98.3Very high98.3Very high3 Ų337.9 Ų37.92%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-117.9126.2166.9-54.5177.8000106.9M1 R2 V3 I4 I201 I212 V215 I216M1-I237 HydrophobicContact SD-CD1 4.23Å; R2-I237 PolarHBondContact O-N 3.16Å; V3-I237 CarbonylContact C-O 3.53Å; V3-I237 VanDerWaalsContact CA-O 3.29Å; V3-I237 WeakPolarHBondContact CA-O 3.45Å; I4-I237 PolarHBondContact N-O 3Å; I201-I237 CarbonylContact O-C 3.5Å; I201-I237 WeakPolarHBondContact O-CA 3.44Å; I212-I237 HydrophobicContact CD1-CG2 3.85Å; V215-I237 HydrophobicContact CG1-CD1 3.73Å; I216-I237 HydrophobicContact CD1-CD1 4.17Å; I216-I237 HydrophobicContact CG1-CD1 3.91Å
238V98.5Very high98.3Very high0 Ų043.1 Ų43.10%022%0.22CC..EExtended strand (participates in β ladder)trans-110.7116.6177.8-1680000107.7I4 L6 V12 F15 M200 I201 L202 A203 M236I4-V238 HydrophobicContact CB-CB 4.45Å; I4-V238 HydrophobicContact CB-CG1 4.13Å; I4-V238 HydrophobicContact CB-CG2 4.32Å; I4-V238 HydrophobicContact CG2-CG1 4.1Å; I4-V238 WeakPolarHBondContact O-CA 3.25Å; L6-V238 HydrophobicContact CD1-CG1 3.87Å; V12-V238 HydrophobicContact CB-CG1 4.24Å; V12-V238 HydrophobicContact CG1-CB 4.19Å; V12-V238 HydrophobicContact CG1-CG1 3.79Å; V12-V238 HydrophobicContact CG2-CG1 4.17Å; F15-V238 HydrophobicContact CD1-CB 4.48Å; F15-V238 HydrophobicContact CD1-CG1 3.75Å; F15-V238 HydrophobicContact CD1-CG2 3.86Å; F15-V238 HydrophobicContact CE1-CG1 4.31Å; F15-V238 HydrophobicContact CE1-CG2 3.73Å; F15-V238 HydrophobicContact CG-CG1 4.42Å; M200-V238 HydrophobicContact CG-CG2 4.06Å; M200-V238 HydrophobicContact SD-CG2 4.14Å; I201-V238 PolarHBondContact O-N 2.8Å; L202-V238 WeakPolarHBondContact CA-O 3.35Å; L202-V238 HydrophobicContact CD2-CB 3.76Å; L202-V238 HydrophobicContact CD2-CG2 3.95Å; A203-V238 PolarHBondContact N-O 3.42Å; M236-V238 HydrophobicContact CG-CG2 3.94Å; M236-V238 HydrophobicContact SD-CG2 3.71Å
239C98.2Very high98.3Very high0 Ų047.3 Ų47.30%025%0.247CC..EExtended strand (participates in β ladder)trans-117.3145.8-171.9-68.60000110.7I4 I5 L6 V12 A203 S243 T244I4-C239 PolarHBondContact O-N 3.37Å; I5-C239 WeakPolarHBondContact CA-O 3.27Å; L6-C239 PolarHBondContact N-O 2.87Å; V12-C239 VanDerWaalsContact CG2-C 3.45Å; A203-C239 WeakPolarHBondContact O-CA 3.35Å; C239-S243 VanDerWaalsContact CB-OG 3.25Å; C239-S243 WeakPolarHBondContact CB-OG 3.3Å; C239-T244 HydrophobicContact CB-CG2 3.9Å
240D98.1Very high98.3Very high8 Ų854.6 Ų54.64%0.04328%0.278CS..EExtended strand (participates in β ladder)trans-83.1167.5155.164.44.5000111.2L6 V12 A203 C204 G205 D242 S243L6-D240 CarbonylContact O-C 3.55Å; L6-D240 VanDerWaalsContact O-CA 3.29Å; L6-D240 WeakPolarHBondContact O-CA 3.2Å; V12-D240 HydrophobicContact CG2-CB 4.11Å; A203-D240 PolarHBondContact O-N 2.96Å; C204-D240 WeakPolarHBondContact CA-OD1 3.17Å; C204-D240 VanDerWaalsContact CA-OD2 3.25Å; C204-D240 WeakPolarHBondContact CA-OD2 3.44Å; C204-D240 WeakPolarHBondContact CB-OD2 3.13Å; G205-D240 VanDerWaalsContact N-CG 3.3Å; G205-D240 PolarHBondContact N-OD1 3.4Å; G205-D240 PolarHBondContact N-OD2 2.99Å; D240-D242 VanDerWaalsContact C-N 3.29Å; D240-D242 PolarHBondContact O-N 3.35Å; D240-S243 PolarHBondContact N-OG 3.48Å; D240-S243 PolarHBondContact O-N 3.45Å; D240-S243 PolarHBondContact O-OG 2.83Å; D240-S243 WeakPolarHBondContact OD1-CB 3.37Å; D240-S243 PolarHBondContact OD1-N 3.13Å; D240-S243 PolarHBondContact OD1-OG 2.61Å
241E98Very high98.3Very high42 Ų4252.4 Ų52.420%0.19627%0.27CS..SBendtrans-53.4-45.8177.1-72.3-65.4132.200112.4I5 L6 S243 T244 M245 K256I5-E241 WeakPolarHBondContact CG2-OE1 3.47Å; L6-E241 PolarHBondContact O-N 2.98Å; E241-S243 VanDerWaalsContact C-N 3.29Å; E241-S243 PolarHBondContact O-N 3.14Å; E241-T244 WeakPolarHBondContact O-CB 3.44Å; E241-T244 PolarHBondContact O-N 2.85Å; E241-T244 PolarHBondContact O-OG1 3.09Å; E241-M245 WeakPolarHBondContact O-CE 3.37Å; E241-K256 WeakPolarHBondContact OE1-CE 3.5Å; E241-K256 IonicContact OE1-NZ 2.72Å; E241-K256 PolarHBondContact OE1-NZ 2.89Å; E241-K256 IonicContact OE2-NZ 3.7Å; E241-K256 PolarHBondContact OE2-NZ 3.47Å
242D98.4Very high98.3Very high89 Ų8947.4 Ų47.448%0.47625%0.246SC..G310 helixtrans-59.6-38.7-175.9-77-10.4000112.4A206 D240 T244 M245A206-D242 WeakPolarHBondContact CA-O 3.39Å; A206-D242 HydrophobicContact CB-CB 4.29Å; D240-D242 VanDerWaalsContact C-N 3.29Å; D240-D242 PolarHBondContact O-N 3.35Å; D242-T244 PolarHBondContact O-N 3.39Å; D242-T244 VanDerWaalsContact O-N 3.16Å; D242-M245 VanDerWaalsContact O-CG 3.32Å; D242-M245 WeakPolarHBondContact O-CG 3.47Å; D242-M245 PolarHBondContact O-N 2.9Å
243S98.4Very high98.3Very high0 Ų054.3 Ų54.30%028%0.276CS..G310 helixtrans-70.6-4.7176.770.50000113.9A203 A209 I212 C239 D240 E241A203-S243 PolarHBondContact O-OG 2.83Å; A209-S243 VanDerWaalsContact CA-O 3.32Å; A209-S243 WeakPolarHBondContact CA-O 3.48Å; I212-S243 WeakPolarHBondContact CB-O 3.4Å; I212-S243 WeakPolarHBondContact CG2-O 3.44Å; C239-S243 VanDerWaalsContact CB-OG 3.25Å; C239-S243 WeakPolarHBondContact CB-OG 3.3Å; D240-S243 PolarHBondContact N-OG 3.48Å; D240-S243 PolarHBondContact O-N 3.45Å; D240-S243 PolarHBondContact O-OG 2.83Å; D240-S243 WeakPolarHBondContact OD1-CB 3.37Å; D240-S243 PolarHBondContact OD1-N 3.13Å; D240-S243 PolarHBondContact OD1-OG 2.61Å; E241-S243 VanDerWaalsContact C-N 3.29Å; E241-S243 PolarHBondContact O-N 3.14Å
244T98.5Very high98.3Very high4 Ų455.7 Ų55.73%0.02527%0.268CS..G310 helixtrans-103.6-1.8178.972.70000114.3I5 C239 E241 D242 E246 L247I5-T244 HydrophobicContact CD1-CG2 4.09Å; I5-T244 HydrophobicContact CG1-CG2 4.15Å; I5-T244 HydrophobicContact CG2-CG2 3.94Å; C239-T244 HydrophobicContact CB-CG2 3.9Å; E241-T244 WeakPolarHBondContact O-CB 3.44Å; E241-T244 PolarHBondContact O-N 2.85Å; E241-T244 PolarHBondContact O-OG1 3.09Å; D242-T244 PolarHBondContact O-N 3.39Å; D242-T244 VanDerWaalsContact O-N 3.16Å; T244-E246 PolarHBondContact O-N 3.43Å; T244-L247 HydrophobicContact CG2-CD1 4.14Å; T244-L247 VanDerWaalsContact O-CB 3.3Å; T244-L247 WeakPolarHBondContact O-CB 3.16Å; T244-L247 PolarHBondContact O-N 3.12Å
245M98.1Very high98.2Very high119 Ų11953 Ų5359%0.58625%0.253SS*.THydrogen-bonded Turntrans-57-23.4-172.9-72.6-62.7104.200115.5A209 E241 D242A209-M245 HydrophobicContact CB-CB 4.29Å; E241-M245 WeakPolarHBondContact O-CE 3.37Å; D242-M245 VanDerWaalsContact O-CG 3.32Å; D242-M245 WeakPolarHBondContact O-CG 3.47Å; D242-M245 PolarHBondContact O-N 2.9Å
246E98.5Very high98.1Very high82 Ų8256.8 Ų56.838%0.38327%0.269SS..THydrogen-bonded Turntrans-95.9-4.3179.7-76.8-66.7153.100114A209 I210 K213 T244A209-E246 HydrophobicContact CB-CB 3.93Å; A209-E246 HydrophobicContact CB-CG 3.69Å; A209-E246 WeakPolarHBondContact O-CB 3.43Å; I210-E246 HydrophobicContact CG1-CG 4.06Å; K213-E246 HydrophobicContact CB-CB 3.89Å; K213-E246 HydrophobicContact CD-CB 4.09Å; K213-E246 WeakPolarHBondContact CD-O 3.33Å; K213-E246 WeakPolarHBondContact CE-O 3.25Å; K213-E246 HydrophobicContact CG-CB 4.38Å; K213-E246 WeakPolarHBondContact CG-O 3.44Å; K213-E246 IonicContact NZ-OE2 2.8Å; K213-E246 PolarHBondContact NZ-OE2 3.22Å; T244-E246 PolarHBondContact O-N 3.43Å
247L98.7Very high98Very high16 Ų1660.9 Ų60.98%0.08429%0.294CS..SBendtrans-77.2153.2175.7-62.5-176.8000111.2I212 K213 I216 E217 T244 T251 V252I212-L247 HydrophobicContact CG2-CD1 4.02Å; I212-L247 HydrophobicContact CG2-CD2 4.14Å; I212-L247 HydrophobicContact CG2-CG 4.2Å; K213-L247 HydrophobicContact CB-CD2 4.27Å; I216-L247 HydrophobicContact CB-CD2 4.4Å; I216-L247 HydrophobicContact CD1-CD1 4.38Å; E217-L247 HydrophobicContact CG-CD2 3.84Å; T244-L247 HydrophobicContact CG2-CD1 4.14Å; T244-L247 VanDerWaalsContact O-CB 3.3Å; T244-L247 WeakPolarHBondContact O-CB 3.16Å; T244-L247 PolarHBondContact O-N 3.12Å; L247-T251 HydrophobicContact CD1-CG2 4.49Å; L247-V252 HydrophobicContact CB-CG2 3.73Å; L247-V252 HydrophobicContact CD1-CG2 4.17Å
248K98.7Very high97.7Very high110 Ų11064.4 Ų64.448%0.47831%0.31SS..  trans-66.6142.4170.5-65.1164.9-170.11680109.4E217 K250 T251 V252E217-K248 WeakPolarHBondContact OE1-CB 3.31Å; E217-K248 WeakPolarHBondContact OE1-CG 3.25Å; E217-K248 PolarHBondContact OE1-N 3.16Å; E217-K248 WeakPolarHBondContact OE2-CD 3.29Å; E217-K248 VanDerWaalsContact OE2-CE 3.31Å; E217-K248 WeakPolarHBondContact OE2-CE 3.39Å; E217-K248 WeakPolarHBondContact OE2-CG 3.47Å; E217-K248 IonicContact OE2-NZ 3.91Å; K248-K250 HydrophobicContact CB-CG 4.06Å; K248-K250 PolarHBondContact O-N 3.45Å; K248-K250 VanDerWaalsContact O-N 3.09Å; K248-T251 WeakPolarHBondContact O-CA 3.45Å; K248-T251 VanDerWaalsContact O-CB 3.27Å; K248-T251 WeakPolarHBondContact O-CB 3.45Å; K248-T251 PolarHBondContact O-N 3.25Å; K248-V252 PolarHBondContact O-N 3Å; K248-V252 VanDerWaalsContact O-N 3.14Å
249V98.3Very high97.3Very high123 Ų12364.8 Ų64.875%0.74531%0.313SS*.Hα-helixtrans-49.8-41174.9177.30000112.3T251 V252 K253V249-T251 VanDerWaalsContact C-N 3.3Å; V249-T251 PolarHBondContact O-N 2.72Å; V249-V252 PolarHBondContact O-N 3.01Å; V249-K253 VanDerWaalsContact O-CB 3.31Å; V249-K253 WeakPolarHBondContact O-CB 3.37Å; V249-K253 PolarHBondContact O-N 3.08Å
250K98.3Very high97Very high155 Ų15568 Ų6867%0.67434%0.34SS*.Hα-helixtrans-62.9-35.2177.969.8176.6-173.4172.10113.3K248 Y254K248-K250 HydrophobicContact CB-CG 4.06Å; K248-K250 PolarHBondContact O-N 3.45Å; K248-K250 VanDerWaalsContact O-N 3.09Å; K250-Y254 WeakPolarHBondContact O-CB 2.85Å; K250-Y254 PolarHBondContact O-N 2.73Å; K250-Y254 VanDerWaalsContact O-N 3.11Å
251T98.3Very high96.5Very high22 Ų2272.7 Ų72.714%0.13536%0.361CS..Hα-helixtrans-69.5-50.1179.5-52.90000109.6I216 E217 L247 K248 V249 K253 Y254 F255I216-T251 HydrophobicContact CG2-CG2 4.16Å; E217-T251 HydrophobicContact CG-CG2 4.37Å; E217-T251 VanDerWaalsContact OE1-CB 3.26Å; E217-T251 WeakPolarHBondContact OE1-CB 3.48Å; E217-T251 PolarHBondContact OE1-OG1 3.41Å; L247-T251 HydrophobicContact CD1-CG2 4.49Å; K248-T251 WeakPolarHBondContact O-CA 3.45Å; K248-T251 VanDerWaalsContact O-CB 3.27Å; K248-T251 WeakPolarHBondContact O-CB 3.45Å; K248-T251 PolarHBondContact O-N 3.25Å; V249-T251 VanDerWaalsContact C-N 3.3Å; V249-T251 PolarHBondContact O-N 2.72Å; T251-K253 PolarHBondContact O-N 2.99Å; T251-Y254 PolarHBondContact O-N 2.86Å; T251-F255 HydrophobicContact CG2-CD2 3.87Å; T251-F255 HydrophobicContact CG2-CE2 3.74Å; T251-F255 VanDerWaalsContact O-CD2 3.26Å; T251-F255 WeakPolarHBondContact O-CD2 3.2Å; T251-F255 PolarHBondContact O-N 2.96Å; T251-F255 VanDerWaalsContact O-N 3.12Å
252V98.2Very high96Very high22 Ų2272.5 Ų72.513%0.13336%0.359CS..Hα-helixtrans-58.7-48.2176.2177.60000110.7I5 L247 K248 V249 Y254 F255 K256I5-V252 HydrophobicContact CD1-CB 4.46Å; I5-V252 HydrophobicContact CD1-CG1 4.04Å; L247-V252 HydrophobicContact CB-CG2 3.73Å; L247-V252 HydrophobicContact CD1-CG2 4.17Å; K248-V252 PolarHBondContact O-N 3Å; K248-V252 VanDerWaalsContact O-N 3.14Å; V249-V252 PolarHBondContact O-N 3.01Å; V252-Y254 VanDerWaalsContact C-N 3.33Å; V252-Y254 PolarHBondContact O-N 2.96Å; V252-F255 PolarHBondContact O-N 2.89Å; V252-K256 HydrophobicContact CG1-CD 4.06Å; V252-K256 HydrophobicContact CG1-CG 4.16Å; V252-K256 WeakPolarHBondContact O-CB 3.32Å; V252-K256 WeakPolarHBondContact O-CG 3.48Å; V252-K256 PolarHBondContact O-N 3.32Å
253K97.6Very high95.4Very high152 Ų15271.5 Ų71.566%0.66135%0.352SS*.Hα-helixtrans-58.4-44.4-179.9-172.2175.7-178.3177.40112.1V249 T251 T257V249-K253 VanDerWaalsContact O-CB 3.31Å; V249-K253 WeakPolarHBondContact O-CB 3.37Å; V249-K253 PolarHBondContact O-N 3.08Å; T251-K253 PolarHBondContact O-N 2.99Å; K253-T257 PolarHBondContact O-N 2.94Å; K253-T257 PolarHBondContact O-OG1 3.23Å
254Y98.1Very high94.6Very high138 Ų13873 Ų7354%0.54137%0.367SS..Hα-helixtrans-59.6-50.3177.4175.8-99000111.6K250 T251 V252 T257 Q258K250-Y254 WeakPolarHBondContact O-CB 2.85Å; K250-Y254 PolarHBondContact O-N 2.73Å; K250-Y254 VanDerWaalsContact O-N 3.11Å; T251-Y254 PolarHBondContact O-N 2.86Å; V252-Y254 VanDerWaalsContact C-N 3.33Å; V252-Y254 PolarHBondContact O-N 2.96Å; Y254-T257 PolarHBondContact O-N 2.86Å; Y254-Q258 HydrophobicContact CD1-CG 4.49Å; Y254-Q258 HydrophobicContact CE1-CG 4.09Å; Y254-Q258 WeakPolarHBondContact O-CG 3.5Å; Y254-Q258 PolarHBondContact O-N 3.12Å; Y254-Q258 VanDerWaalsContact O-N 3.16Å
255F97.4Very high93.7Very high26 Ų2676.9 Ų76.911%0.11439%0.385CS..Hα-helixtrans-73.7-30-176.8-72.1-59.3000113.9V3 I5 I216 T251 V252 Q258 T259V3-F255 HydrophobicContact CB-CB 4.1Å; V3-F255 HydrophobicContact CB-CD1 3.64Å; V3-F255 HydrophobicContact CB-CD2 3.84Å; V3-F255 HydrophobicContact CB-CE1 3.93Å; V3-F255 HydrophobicContact CB-CE2 4.11Å; V3-F255 HydrophobicContact CB-CG 3.6Å; V3-F255 HydrophobicContact CB-CZ 4.15Å; V3-F255 HydrophobicContact CG1-CD2 4.35Å; V3-F255 HydrophobicContact CG1-CG 4.35Å; V3-F255 HydrophobicContact CG2-CD1 4.02Å; V3-F255 HydrophobicContact CG2-CD2 4.01Å; V3-F255 HydrophobicContact CG2-CE1 3.75Å; V3-F255 HydrophobicContact CG2-CE2 3.75Å; V3-F255 HydrophobicContact CG2-CG 4.15Å; V3-F255 HydrophobicContact CG2-CZ 3.61Å; I5-F255 HydrophobicContact CD1-CB 3.89Å; I5-F255 HydrophobicContact CG1-CB 4.45Å; I216-F255 HydrophobicContact CG2-CE2 4.12Å; T251-F255 HydrophobicContact CG2-CD2 3.87Å; T251-F255 HydrophobicContact CG2-CE2 3.74Å; T251-F255 VanDerWaalsContact O-CD2 3.26Å; T251-F255 WeakPolarHBondContact O-CD2 3.2Å; T251-F255 PolarHBondContact O-N 2.96Å; T251-F255 VanDerWaalsContact O-N 3.12Å; V252-F255 PolarHBondContact O-N 2.89Å; F255-Q258 PolarHBondContact O-N 2.9Å; F255-T259 WeakPolarHBondContact O-CB 3.41Å; F255-T259 PolarHBondContact O-N 2.69Å; F255-T259 PolarHBondContact O-OG1 3.07Å
256K95.7Very high92.7Very high81 Ų8173 Ų7335%0.35237%0.366SS..Hα-helixtrans-62-42.9170.2-77.5-166.9176.7-167.90111.9I5 E241 V252 Q258 T259 A260I5-K256 HydrophobicContact CB-CG 4.25Å; I5-K256 HydrophobicContact CD1-CG 4.3Å; I5-K256 HydrophobicContact CG2-CG 4.45Å; E241-K256 WeakPolarHBondContact OE1-CE 3.5Å; E241-K256 IonicContact OE1-NZ 2.72Å; E241-K256 PolarHBondContact OE1-NZ 2.89Å; E241-K256 IonicContact OE2-NZ 3.7Å; E241-K256 PolarHBondContact OE2-NZ 3.47Å; V252-K256 HydrophobicContact CG1-CD 4.06Å; V252-K256 HydrophobicContact CG1-CG 4.16Å; V252-K256 WeakPolarHBondContact O-CB 3.32Å; V252-K256 WeakPolarHBondContact O-CG 3.48Å; V252-K256 PolarHBondContact O-N 3.32Å; K256-Q258 PolarHBondContact O-N 2.9Å; K256-T259 PolarHBondContact O-N 3.36Å; K256-A260 PolarHBondContact O-N 2.87Å
257T94.9Very high91.1Very high86 Ų8673.1 Ų73.153%0.52837%0.372SS..Hα-helixtrans-61.9-43.6175-58.30000111.6K253 Y254 A260 Q261K253-T257 PolarHBondContact O-N 2.94Å; K253-T257 PolarHBondContact O-OG1 3.23Å; Y254-T257 PolarHBondContact O-N 2.86Å; T257-A260 PolarHBondContact O-N 3.38Å; T257-Q261 PolarHBondContact O-N 3.16Å
258Q92.3Very high89.3Confident78 Ų7876.9 Ų76.936%0.36439%0.393SS..Hα-helixtrans-64.5-39175.8-67.2-65-36.100112.3Y254 F255 K256 Q261 Y262Y254-Q258 HydrophobicContact CD1-CG 4.49Å; Y254-Q258 HydrophobicContact CE1-CG 4.09Å; Y254-Q258 WeakPolarHBondContact O-CG 3.5Å; Y254-Q258 PolarHBondContact O-N 3.12Å; Y254-Q258 VanDerWaalsContact O-N 3.16Å; F255-Q258 PolarHBondContact O-N 2.9Å; K256-Q258 PolarHBondContact O-N 2.9Å; Q258-Q261 PolarHBondContact O-N 3.46Å; Q258-Y262 WeakPolarHBondContact O-CB 3.49Å; Q258-Y262 PolarHBondContact O-N 2.92Å
259T91.3Very high87.9Confident8 Ų878.2 Ų78.25%0.04940%0.395CS..Hα-helixtrans-61-49.2177-61.10000110.8V3 I4 I5 F255 K256 Q261 Y262 M263V3-T259 PolarHBondContact O-OG1 3.28Å; I4-T259 WeakPolarHBondContact CA-OG1 3.5Å; I4-T259 HydrophobicContact CG2-CG2 3.87Å; I5-T259 PolarHBondContact N-OG1 2.94Å; F255-T259 WeakPolarHBondContact O-CB 3.41Å; F255-T259 PolarHBondContact O-N 2.69Å; F255-T259 PolarHBondContact O-OG1 3.07Å; K256-T259 PolarHBondContact O-N 3.36Å; T259-Q261 VanDerWaalsContact C-N 3.32Å; T259-Q261 PolarHBondContact O-N 3.37Å; T259-Y262 WeakPolarHBondContact O-CB 3.42Å; T259-Y262 PolarHBondContact O-N 3.5Å; T259-Y262 VanDerWaalsContact O-N 3.12Å; T259-M263 HydrophobicContact CG2-CG 4.17Å; T259-M263 VanDerWaalsContact O-CG 3.3Å; T259-M263 WeakPolarHBondContact O-CG 3.21Å; T259-M263 PolarHBondContact O-N 2.75Å
260A90.4Very high86.2Confident68 Ų6875.5 Ų75.556%0.56238%0.378SS*.Hα-helixtrans-58.9-43.1178.300000112.2K256 T257 M263 G264K256-A260 PolarHBondContact O-N 2.87Å; T257-A260 PolarHBondContact O-N 3.38Å; A260-M263 PolarHBondContact O-N 2.98Å; A260-G264 PolarHBondContact O-N 3.27Å
261Q88.1Confident84.1Confident105 Ų10572.1 Ų72.149%0.49137%0.367SS..Hα-helixtrans-63.1-42.7175.7-175.9178.8-6.900111.8T257 Q258 T259 G264 Q265T257-Q261 PolarHBondContact O-N 3.16Å; Q258-Q261 PolarHBondContact O-N 3.46Å; T259-Q261 VanDerWaalsContact C-N 3.32Å; T259-Q261 PolarHBondContact O-N 3.37Å; Q261-G264 PolarHBondContact O-N 2.95Å; Q261-Q265 WeakPolarHBondContact O-CG 3.23Å; Q261-Q265 PolarHBondContact O-N 3.04Å; Q261-Q265 VanDerWaalsContact O-N 3.14Å
262Y87.9Confident82.2Confident38 Ų3877.4 Ų77.415%0.14939%0.391CS..Hα-helixtrans-64.4-45.2179.2-172.6-107.8000112.3I4 F15 Y19 R22 Q258 T259 Q265 I266I4-Y262 HydrophobicContact CD1-CD1 3.96Å; I4-Y262 HydrophobicContact CD1-CG 4.43Å; F15-Y262 HydrophobicContact CE2-CD1 4.17Å; F15-Y262 AromaticContact CE2-CE1 3.99Å; F15-Y262 HydrophobicContact CE2-CE1 3.99Å; F15-Y262 HydrophobicContact CZ-CD1 4.23Å; F15-Y262 AromaticContact CZ-CE1 3.8Å; F15-Y262 HydrophobicContact CZ-CE1 3.8Å; Y19-Y262 VanDerWaalsContact CE2-OH 3.31Å; Y19-Y262 WeakPolarHBondContact CE2-OH 3.36Å; R22-Y262 PolarHBondContact NH2-OH 3.09Å; Q258-Y262 WeakPolarHBondContact O-CB 3.49Å; Q258-Y262 PolarHBondContact O-N 2.92Å; T259-Y262 WeakPolarHBondContact O-CB 3.42Å; T259-Y262 PolarHBondContact O-N 3.5Å; T259-Y262 VanDerWaalsContact O-N 3.12Å; Y262-Q265 PolarHBondContact O-N 3.34Å; Y262-I266 HydrophobicContact CD1-CD1 3.83Å; Y262-I266 HydrophobicContact CE1-CD1 3.32Å; Y262-I266 HydrophobicContact CE1-CG1 4.18Å; Y262-I266 WeakPolarHBondContact O-CG1 3.4Å; Y262-I266 PolarHBondContact O-N 2.95Å; Y262-I266 VanDerWaalsContact O-N 3.12Å
263M86.2Confident80.5Confident69 Ų6980.1 Ų80.134%0.3441%0.407SS..Hα-helixtrans-64.4-40.6177.8-66.7-60.4-81.200111.5F15 T259 A260 Q265 I266 V267F15-M263 HydrophobicContact CD2-CE 4.06Å; F15-M263 HydrophobicContact CD2-SD 3.6Å; F15-M263 VanDerWaalsContact CD2-SD 3.6Å; F15-M263 HydrophobicContact CE2-SD 3.51Å; F15-M263 VanDerWaalsContact CE2-SD 3.51Å; T259-M263 HydrophobicContact CG2-CG 4.17Å; T259-M263 VanDerWaalsContact O-CG 3.3Å; T259-M263 WeakPolarHBondContact O-CG 3.21Å; T259-M263 PolarHBondContact O-N 2.75Å; A260-M263 PolarHBondContact O-N 2.98Å; M263-Q265 VanDerWaalsContact C-N 3.35Å; M263-Q265 PolarHBondContact O-N 2.71Å; M263-I266 PolarHBondContact O-N 3.26Å; M263-I266 VanDerWaalsContact O-N 3.16Å; M263-I266 HydrophobicContact SD-CD1 4.35Å; M263-V267 WeakPolarHBondContact O-CG2 3.21Å; M263-V267 PolarHBondContact O-N 3.31Å; M263-V267 VanDerWaalsContact O-N 3.08Å
264G80.5Confident78.9Confident31 Ų3178.2 Ų78.232%0.3240%0.401SS..Hα-helixtrans-57.4-45.9173.700000112.5A260 Q261 I266 V267 D268A260-G264 PolarHBondContact O-N 3.27Å; Q261-G264 PolarHBondContact O-N 2.95Å; G264-I266 VanDerWaalsContact C-N 3.29Å; G264-I266 PolarHBondContact O-N 2.92Å; G264-V267 PolarHBondContact O-N 2.81Å; G264-D268 PolarHBondContact O-N 3.02Å
265Q80.7Confident77Confident86 Ų8679 Ų7940%0.40241%0.407SS..Hα-helixtrans-64.4-30.7177.2-70.4175.7-1.500113.7Q261 Y262 M263 R269Q261-Q265 WeakPolarHBondContact O-CG 3.23Å; Q261-Q265 PolarHBondContact O-N 3.04Å; Q261-Q265 VanDerWaalsContact O-N 3.14Å; Y262-Q265 PolarHBondContact O-N 3.34Å; M263-Q265 VanDerWaalsContact C-N 3.35Å; M263-Q265 PolarHBondContact O-N 2.71Å; Q265-R269 WeakPolarHBondContact O-CG 3.38Å; Q265-R269 PolarHBondContact O-N 3.15Å
266I76.4Confident75.3Confident37 Ų3780.4 Ų80.419%0.1942%0.42CS..Hα-helixtrans-67.6-49174.5-69.3175.9000109.9F15 Y262 M263 G264 D268 R269 T270F15-I266 HydrophobicContact CE2-CD1 4.32Å; Y262-I266 HydrophobicContact CD1-CD1 3.83Å; Y262-I266 HydrophobicContact CE1-CD1 3.32Å; Y262-I266 HydrophobicContact CE1-CG1 4.18Å; Y262-I266 WeakPolarHBondContact O-CG1 3.4Å; Y262-I266 PolarHBondContact O-N 2.95Å; Y262-I266 VanDerWaalsContact O-N 3.12Å; M263-I266 PolarHBondContact O-N 3.26Å; M263-I266 VanDerWaalsContact O-N 3.16Å; M263-I266 HydrophobicContact SD-CD1 4.35Å; G264-I266 VanDerWaalsContact C-N 3.29Å; G264-I266 PolarHBondContact O-N 2.92Å; I266-D268 VanDerWaalsContact C-N 3.33Å; I266-D268 PolarHBondContact O-N 3.11Å; I266-R269 PolarHBondContact O-N 2.78Å; I266-T270 PolarHBondContact O-N 2.84Å; I266-T270 PolarHBondContact O-OG1 2.92Å; I266-T270 VanDerWaalsContact O-OG1 3.05Å
267V65.7Low73.7Confident84 Ų8482.2 Ų82.251%0.50943%0.43SS..Hα-helixtrans-59.8-45.4-179.4173.90000110.8M263 G264 R269 T270 L271M263-V267 WeakPolarHBondContact O-CG2 3.21Å; M263-V267 PolarHBondContact O-N 3.31Å; M263-V267 VanDerWaalsContact O-N 3.08Å; G264-V267 PolarHBondContact O-N 2.81Å; V267-R269 VanDerWaalsContact C-N 3.35Å; V267-R269 PolarHBondContact O-N 3.04Å; V267-T270 PolarHBondContact O-N 3.06Å; V267-L271 HydrophobicContact CG1-CD1 4.04Å; V267-L271 WeakPolarHBondContact O-CG 3.4Å; V267-L271 PolarHBondContact O-N 3.35Å; V267-L271 VanDerWaalsContact O-N 3.08Å
268D60.6Low72Confident95 Ų9583 Ų8351%0.50843%0.431SS..Hα-helixtrans-60.1-44.2179.1-68.6-23.7000111.7G264 I266 L271 E272G264-D268 PolarHBondContact O-N 3.02Å; I266-D268 VanDerWaalsContact C-N 3.33Å; I266-D268 PolarHBondContact O-N 3.11Å; D268-L271 PolarHBondContact O-N 3.41Å; D268-E272 WeakPolarHBondContact O-CG 3.36Å; D268-E272 PolarHBondContact O-N 3.16Å
269R68.5Low70.5Confident139 Ų13982.3 Ų82.353%0.52543%0.434SS..Hα-helixtrans-64.6-42.4177-76-175.9-159.4-162.22.1112.6Q265 I266 V267 L271 E272 T273Q265-R269 WeakPolarHBondContact O-CG 3.38Å; Q265-R269 PolarHBondContact O-N 3.15Å; I266-R269 PolarHBondContact O-N 2.78Å; V267-R269 VanDerWaalsContact C-N 3.35Å; V267-R269 PolarHBondContact O-N 3.04Å; R269-L271 VanDerWaalsContact C-N 3.3Å; R269-L271 PolarHBondContact O-N 2.87Å; R269-E272 WeakPolarHBondContact O-CB 3.38Å; R269-E272 PolarHBondContact O-N 3.44Å; R269-T273 PolarHBondContact O-N 3Å; R269-T273 PolarHBondContact O-OG1 3.33Å
270T62.9Low69.1Low65 Ų6588.8 Ų88.840%0.39946%0.462SS..Hα-helixtrans-59.2-45.5178.9-56.60000110.5I266 V267 E272 T273 E274I266-T270 PolarHBondContact O-N 2.84Å; I266-T270 PolarHBondContact O-OG1 2.92Å; I266-T270 VanDerWaalsContact O-OG1 3.05Å; V267-T270 PolarHBondContact O-N 3.06Å; T270-E272 VanDerWaalsContact C-N 3.32Å; T270-E272 PolarHBondContact O-N 3.41Å; T270-T273 WeakPolarHBondContact CA-OG1 3.45Å; T270-T273 PolarHBondContact O-N 2.69Å; T270-T273 PolarHBondContact O-OG1 2.61Å; T270-E274 WeakPolarHBondContact O-CG 3.44Å; T270-E274 PolarHBondContact O-N 2.72Å
271L53.6Low67.8Low85 Ų8592 Ų9245%0.44546%0.463SS..Hα-helixtrans-63.5-34.3176.8-68.4170.6000112.9V267 D268 R269 K275V267-L271 HydrophobicContact CG1-CD1 4.04Å; V267-L271 WeakPolarHBondContact O-CG 3.4Å; V267-L271 PolarHBondContact O-N 3.35Å; V267-L271 VanDerWaalsContact O-N 3.08Å; D268-L271 PolarHBondContact O-N 3.41Å; R269-L271 VanDerWaalsContact C-N 3.3Å; R269-L271 PolarHBondContact O-N 2.87Å; L271-K275 WeakPolarHBondContact O-CG 3.32Å; L271-K275 PolarHBondContact O-N 2.99Å
272E59.7Low66.6Low133 Ų13390.5 Ų90.562%0.62146%0.461SS*.Hα-helixtrans-67.3-44.4174.3-74.6176174.200111.9D268 R269 T270 K275 S276D268-E272 WeakPolarHBondContact O-CG 3.36Å; D268-E272 PolarHBondContact O-N 3.16Å; R269-E272 WeakPolarHBondContact O-CB 3.38Å; R269-E272 PolarHBondContact O-N 3.44Å; T270-E272 VanDerWaalsContact C-N 3.32Å; T270-E272 PolarHBondContact O-N 3.41Å; E272-K275 PolarHBondContact O-N 2.92Å; E272-S276 PolarHBondContact O-N 3.1Å; E272-S276 VanDerWaalsContact O-N 3.08Å
273T62.9Low65.3Low79 Ų7994.9 Ų94.949%0.48548%0.483SS..Hα-helixtrans-61.3-46.1175.4210000112.3R269 T270 K275 S276 E277R269-T273 PolarHBondContact O-N 3Å; R269-T273 PolarHBondContact O-OG1 3.33Å; T270-T273 WeakPolarHBondContact CA-OG1 3.45Å; T270-T273 PolarHBondContact O-N 2.69Å; T270-T273 PolarHBondContact O-OG1 2.61Å; T273-K275 PolarHBondContact O-N 3.29Å; T273-S276 PolarHBondContact O-N 3.3Å; T273-S276 VanDerWaalsContact O-N 3.11Å; T273-S276 PolarHBondContact O-OG 2.92Å; T273-E277 PolarHBondContact O-N 2.84Å
274E62.6Low64.1Low112 Ų11296.6 Ų96.652%0.52349%0.493SS..Hα-helixtrans-60.7-44.3179-72.3176177.100112.1T270 S276 E277 D278T270-E274 WeakPolarHBondContact O-CG 3.44Å; T270-E274 PolarHBondContact O-N 2.72Å; E274-S276 VanDerWaalsContact C-N 3.29Å; E274-S276 PolarHBondContact O-N 2.91Å; E274-E277 PolarHBondContact O-N 3.31Å; E274-D278 PolarHBondContact O-N 2.93Å
275K59.5Low63Low155 Ų15598 Ų9867%0.67450%0.499SS*.Hα-helixtrans-60.9-37.5174.8-77.3177.4-178.1173.40112.6L271 E272 T273 S279L271-K275 WeakPolarHBondContact O-CG 3.32Å; L271-K275 PolarHBondContact O-N 2.99Å; E272-K275 PolarHBondContact O-N 2.92Å; T273-K275 PolarHBondContact O-N 3.29Å; K275-S279 PolarHBondContact O-N 3.25Å; K275-S279 VanDerWaalsContact O-N 3.09Å; K275-S279 PolarHBondContact O-OG 3Å
276S61.2Low62.1Low55 Ų55100.6 Ų100.639%0.38551%0.509SS..Hα-helixtrans-69.6-33.8179.578.40000112.8E272 T273 E274 S279 K280E272-S276 PolarHBondContact O-N 3.1Å; E272-S276 VanDerWaalsContact O-N 3.08Å; T273-S276 PolarHBondContact O-N 3.3Å; T273-S276 VanDerWaalsContact O-N 3.11Å; T273-S276 PolarHBondContact O-OG 2.92Å; E274-S276 VanDerWaalsContact C-N 3.29Å; E274-S276 PolarHBondContact O-N 2.91Å; S276-S279 WeakPolarHBondContact CA-OG 3.3Å; S276-S279 PolarHBondContact O-OG 3.09Å; S276-K280 PolarHBondContact O-N 3.37Å
277E61.7Low61.2Low119 Ų119103.7 Ų103.756%0.55653%0.525SS*.Hα-helixtrans-73.9-40.6176.2-72.2-173171.500112.2T273 E274 S279 K280 K281T273-E277 PolarHBondContact O-N 2.84Å; E274-E277 PolarHBondContact O-N 3.31Å; E277-S279 VanDerWaalsContact C-N 3.35Å; E277-K280 PolarHBondContact O-N 3.36Å; E277-K281 PolarHBondContact O-N 3.02Å
278D60.3Low60.8Low103 Ų103103.2 Ų103.255%0.55152%0.523SS*.Hα-helixtrans-65.3-38.7175.8-94.9-7.8000112.1E274 K281 T282E274-D278 PolarHBondContact O-N 2.93Å; D278-K281 PolarHBondContact O-N 3.12Å; D278-T282 WeakPolarHBondContact O-CB 3.45Å; D278-T282 PolarHBondContact O-N 3.45Å; D278-T282 PolarHBondContact O-OG1 3.03Å
279S60.6Low60.7Low63 Ų63103.2 Ų103.244%0.44153%0.526SS..Hα-helixtrans-66.7-39.3175.937.20000112.1K275 S276 E277 T282 E283K275-S279 PolarHBondContact O-N 3.25Å; K275-S279 VanDerWaalsContact O-N 3.09Å; K275-S279 PolarHBondContact O-OG 3Å; S276-S279 WeakPolarHBondContact CA-OG 3.3Å; S276-S279 PolarHBondContact O-OG 3.09Å; E277-S279 VanDerWaalsContact C-N 3.35Å; S279-T282 PolarHBondContact O-N 3.15Å; S279-E283 PolarHBondContact O-N 3.11Å
280K62.2Low60.1Low143 Ų143101.4 Ų101.462%0.62253%0.527SS*.Hα-helixtrans-61.4-44.8171.4-83.9-178.2176.4177.70113.1S276 E277 T282 E283 D284S276-K280 PolarHBondContact O-N 3.37Å; E277-K280 PolarHBondContact O-N 3.36Å; K280-T282 PolarHBondContact O-N 3.5Å; K280-E283 PolarHBondContact O-N 3.48Å; K280-D284 PolarHBondContact O-N 3.43Å
281K61.8Low59.7Low136 Ų136105 Ų10559%0.59154%0.539SS*.Hα-helixtrans-61.6-34.5175.2-74.6176.3-176.5165.90112.4E277 D278 S285E277-K281 PolarHBondContact O-N 3.02Å; D278-K281 PolarHBondContact O-N 3.12Å; K281-S285 WeakPolarHBondContact O-CB 3.25Å; K281-S285 PolarHBondContact O-N 2.91Å; K281-S285 VanDerWaalsContact O-N 3.07Å; K281-S285 PolarHBondContact O-OG 3.35Å
282T64.1Low59.8Low74 Ų74110.1 Ų110.145%0.45455%0.553SS.*Hα-helixtrans-72.4-34.2177.7-44.80000111.9D278 S279 K280 S285 K286D278-T282 WeakPolarHBondContact O-CB 3.45Å; D278-T282 PolarHBondContact O-N 3.45Å; D278-T282 PolarHBondContact O-OG1 3.03Å; S279-T282 PolarHBondContact O-N 3.15Å; K280-T282 PolarHBondContact O-N 3.5Å; T282-S285 WeakPolarHBondContact CA-OG 3.16Å; T282-S285 PolarHBondContact O-OG 3.41Å; T282-K286 WeakPolarHBondContact O-CG 3.39Å; T282-K286 PolarHBondContact O-N 2.95Å
283E58.8Low59.6Low130 Ų130107.6 Ų107.661%0.60755%0.55SS*.Hα-helixtrans-72.5-43.3174-77.9-176.2161.800112.3S279 K280 S285 K286 N287S279-E283 PolarHBondContact O-N 3.11Å; K280-E283 PolarHBondContact O-N 3.48Å; E283-S285 VanDerWaalsContact C-N 3.33Å; E283-S285 PolarHBondContact O-N 2.85Å; E283-K286 PolarHBondContact O-N 3.4Å; E283-N287 PolarHBondContact O-N 3.19Å
284D61.4Low59.1Low104 Ų104110.6 Ų110.656%0.55656%0.562SS**Hα-helixtrans-63.3-39177.3-76.9-24.6000111.9K280 K286 N287 V288K280-D284 PolarHBondContact O-N 3.43Å; D284-K286 PolarHBondContact O-N 3.13Å; D284-N287 PolarHBondContact O-N 3.45Å; D284-V288 VanDerWaalsContact O-CG2 3.3Å; D284-V288 WeakPolarHBondContact O-CG2 3.31Å; D284-V288 PolarHBondContact O-N 3.1Å
285S58.9Low58.6Low62 Ų62113.5 Ų113.543%0.43457%0.573SS.*Hα-helixtrans-67.2-33.9175.355.20000113.2K281 T282 E283 T289K281-S285 WeakPolarHBondContact O-CB 3.25Å; K281-S285 PolarHBondContact O-N 2.91Å; K281-S285 VanDerWaalsContact O-N 3.07Å; K281-S285 PolarHBondContact O-OG 3.35Å; T282-S285 WeakPolarHBondContact CA-OG 3.16Å; T282-S285 PolarHBondContact O-OG 3.41Å; E283-S285 VanDerWaalsContact C-N 3.33Å; E283-S285 PolarHBondContact O-N 2.85Å; S285-T289 PolarHBondContact O-N 2.98Å; S285-T289 VanDerWaalsContact O-N 3.12Å; S285-T289 PolarHBondContact O-OG1 2.88Å
286K59.9Low57.7Low139 Ų139109.5 Ų109.560%0.60458%0.576SS**Hα-helixtrans-67.7-42.9173-77.7179.3179.7177.60112T282 E283 D284 V288 T289 D290T282-K286 WeakPolarHBondContact O-CG 3.39Å; T282-K286 PolarHBondContact O-N 2.95Å; E283-K286 PolarHBondContact O-N 3.4Å; D284-K286 PolarHBondContact O-N 3.13Å; K286-V288 VanDerWaalsContact C-N 3.33Å; K286-V288 PolarHBondContact O-N 3.39Å; K286-T289 PolarHBondContact O-N 3.09Å; K286-T289 VanDerWaalsContact O-N 3.1Å; K286-D290 PolarHBondContact O-N 3.02Å
287N58.1Low56.8Low102 Ų102118 Ų11855%0.54562%0.615SS.*Hα-helixtrans-63.5-36.6176.9-78.2-23.3000112.8E283 D284 T289 Q291E283-N287 PolarHBondContact O-N 3.19Å; D284-N287 PolarHBondContact O-N 3.45Å; N287-T289 VanDerWaalsContact C-N 3.32Å; N287-Q291 PolarHBondContact O-N 2.91Å
288V58Low56.6Low75 Ų75118 Ų11846%0.45562%0.618SS.*Hα-helixtrans-68.4-32.9173.81740000111.8D284 K286 R292D284-V288 VanDerWaalsContact O-CG2 3.3Å; D284-V288 WeakPolarHBondContact O-CG2 3.31Å; D284-V288 PolarHBondContact O-N 3.1Å; K286-V288 VanDerWaalsContact C-N 3.33Å; K286-V288 PolarHBondContact O-N 3.39Å; V288-R292 PolarHBondContact O-N 2.87Å
289T58.3Low56.4Low95 Ų95118.7 Ų118.758%0.58362%0.621SS**Hα-helixtrans-73.8-37.9177.9-46.30000111.4S285 K286 N287 R292 S293S285-T289 PolarHBondContact O-N 2.98Å; S285-T289 VanDerWaalsContact O-N 3.12Å; S285-T289 PolarHBondContact O-OG1 2.88Å; K286-T289 PolarHBondContact O-N 3.09Å; K286-T289 VanDerWaalsContact O-N 3.1Å; N287-T289 VanDerWaalsContact C-N 3.32Å; T289-R292 PolarHBondContact O-N 3.31Å; T289-S293 PolarHBondContact O-N 2.9Å; T289-S293 VanDerWaalsContact O-N 3.15Å
290D56.8Low56.2Low101 Ų101121.8 Ų121.854%0.5463%0.631SS.*Hα-helixtrans-69.2-35174-99.3-17.5000112.8K286 R292 S293 L294K286-D290 PolarHBondContact O-N 3.02Å; D290-R292 VanDerWaalsContact C-N 3.29Å; D290-R292 PolarHBondContact O-N 2.92Å; D290-S293 PolarHBondContact O-N 2.92Å; D290-S293 PolarHBondContact O-OG 3.38Å; D290-L294 WeakPolarHBondContact O-CD1 3.49Å; D290-L294 PolarHBondContact O-N 2.89Å
291Q52.6Low55.8Low139 Ų139120.6 Ų120.665%0.6563%0.632SS**Hα-helixtrans-67.2-29.1172.5-78.1-171.6-9.600113N287 F295N287-Q291 PolarHBondContact O-N 2.91Å; Q291-F295 WeakPolarHBondContact O-CD2 3.32Å
292R55.8Low55.4Low194 Ų194119.6 Ų119.673%0.73263%0.634SS**Hα-helixtrans-75.8-25.7173.4-75.7-179177.9176.20.6113.2V288 T289 D290V288-R292 PolarHBondContact O-N 2.87Å; T289-R292 PolarHBondContact O-N 3.31Å; D290-R292 VanDerWaalsContact C-N 3.29Å; D290-R292 PolarHBondContact O-N 2.92Å
293S56.2Low54.8Low79 Ų79122.7 Ų122.755%0.55265%0.646SS**Hα-helixtrans-75.1-27.3175.280.70000112.5T289 D290T289-S293 PolarHBondContact O-N 2.9Å; T289-S293 VanDerWaalsContact O-N 3.15Å; D290-S293 PolarHBondContact O-N 2.92Å; D290-S293 PolarHBondContact O-OG 3.38Å
294L52.4Low54.6Low143 Ų143122.1 Ų122.175%0.74965%0.649SS**Hα-helixtrans-76.6-18.6173.3-94.6112.4000114.5D290D290-L294 WeakPolarHBondContact O-CD1 3.49Å; D290-L294 PolarHBondContact O-N 2.89Å
295F51.3Low54Low172 Ų172123.5 Ų123.575%0.75466%0.656SS**THydrogen-bonded Turntrans-111.153.4173.6-74.7-83.7000111.1Q291 I297Q291-F295 WeakPolarHBondContact O-CD2 3.32Å; F295-I297 PolarHBondContact O-N 3.34Å
296G42.3Very low53.6Low71 Ų71128.7 Ų128.773%0.73268%0.675SS**  trans-61.6101.2167.400000110.9
297I41.9Very low53.1Low234 Ų234127.7 Ų127.7100%1.268%0.681SS**  trans-97.80155.6-61.9176.5000107F295F295-I297 PolarHBondContact O-N 3.34Å

Retrieved 297 of 297 residues in 96.3 ms (Link to these results)

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