A0A087YQ02_POEFO Loading...

Kelch repeat and BTB domain containing 13

AlphaFold DB , UniProt , Accession A0A087YQ02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 458 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
1L33.2Very low29.9Very low214 Ų214134 Ų134100%1.1284%0.836SS**  0109.10-76.7150.5000106.9
2M32Very low30.1Very low169 Ų169136.9 Ų136.983%0.83383%0.832SS**  cis-154.1145.32.8-74.5-175.4-169.400107.2
3A30Very low30.7Very low98 Ų98135.1 Ų135.181%0.8183%0.829SS**  trans28.2108.4152.200000120.6
4A30.7Very low31.6Very low112 Ų112138.4 Ų138.493%0.92683%0.83SS**  trans-96.7112142.500000106.9
5S30.4Very low32.7Very low108 Ų108135.2 Ų135.276%0.75582%0.824SS**  trans-103.9125171.463.80000109.5
6S29.5Very low34.3Very low106 Ų106130.2 Ų130.274%0.74180%0.801SS**  trans-46123.9172.348.90000114.3
7C26.6Very low37Very low125 Ų125127.6 Ų127.685%0.84578%0.782SS**  trans-91.699.3150.1-75.90000107.4E9C7-E9 PolarHBondContact O-N 3.2Å
8Q28.2Very low39.9Very low180 Ų180125.7 Ų125.784%0.84176%0.763SS**  trans-76100.5158-84.9176.5-43.900106.7S10Q8-S10 VanDerWaalsContact C-N 3.34Å; Q8-S10 PolarHBondContact O-N 2.75Å
9E29.1Very low42.5Very low190 Ų190119.3 Ų119.389%0.88873%0.725SS**  trans-63.999.8158.2-75.5178.1158.300107.4C7 G11C7-E9 PolarHBondContact O-N 3.2Å; E9-G11 PolarHBondContact O-N 3.43Å
10S29.5Very low45Very low100 Ų100118.5 Ų118.570%0.69971%0.71SS**  trans-77.480.8165.440.80000108Q8 H12Q8-S10 VanDerWaalsContact C-N 3.34Å; Q8-S10 PolarHBondContact O-N 2.75Å; S10-H12 PolarHBondContact O-N 2.87Å
11G30.2Very low47.3Very low72 Ų72112.8 Ų112.874%0.74268%0.677SS**  trans-67.781.1160.800000109.6E9 S13E9-G11 PolarHBondContact O-N 3.43Å; G11-S13 VanDerWaalsContact C-N 3.26Å; G11-S13 PolarHBondContact O-N 3.36Å; G11-S13 VanDerWaalsContact O-N 3.08Å
12H32.2Very low50.2Low169 Ų169103.8 Ų103.878%0.78263%0.629SS**  trans-74.287.9159-80.8-54.2000107.9S10 E14S10-H12 PolarHBondContact O-N 2.87Å; H12-E14 VanDerWaalsContact C-N 3.35Å; H12-E14 PolarHBondContact O-N 3.04Å; H12-E14 VanDerWaalsContact O-N 3.14Å
13S37.3Very low53.1Low113 Ų11395.7 Ų95.779%0.7959%0.59SS**  trans-65.799.9153.9176.90000106.4G11 A15G11-S13 VanDerWaalsContact C-N 3.26Å; G11-S13 PolarHBondContact O-N 3.36Å; G11-S13 VanDerWaalsContact O-N 3.08Å; S13-A15 PolarHBondContact O-N 3.34Å
14E43.6Very low55.9Low182 Ų18295.5 Ų95.585%0.8558%0.575SS**  trans-56.3106.7165.1-77.8179.7155.700107.6H12 A16H12-E14 VanDerWaalsContact C-N 3.35Å; H12-E14 PolarHBondContact O-N 3.04Å; H12-E14 VanDerWaalsContact O-N 3.14Å; E14-A16 PolarHBondContact O-N 3.19Å; E14-A16 VanDerWaalsContact O-N 3.15Å
15A47.4Very low58.6Low90 Ų9093 Ų9374%0.74456%0.56SS**  trans-65.9112.9165.600000105.9S13 D17S13-A15 PolarHBondContact O-N 3.34Å; A15-D17 PolarHBondContact O-N 2.92Å; A15-D17 VanDerWaalsContact O-N 3.11Å
16A58.3Low61.6Low55 Ų5591.5 Ų91.546%0.45554%0.544SS..  trans-49.1121.9175.300000108.9E14 M18E14-A16 PolarHBondContact O-N 3.19Å; E14-A16 VanDerWaalsContact O-N 3.15Å; A16-M18 HydrophobicContact CB-CG 4.1Å; A16-M18 HydrophobicContact CB-SD 3.77Å; A16-M18 WeakPolarHBondContact O-CG 3.47Å; A16-M18 PolarHBondContact O-N 3.32Å
17D81.8Confident64.6Low87 Ų8791.3 Ų91.347%0.46553%0.533SS..  trans-72.585.6176.7-173.513.5000107.5A15 R32A15-D17 PolarHBondContact O-N 2.92Å; A15-D17 VanDerWaalsContact O-N 3.11Å; D17-R32 HydrophobicContact CB-CB 4.2Å; D17-R32 WeakPolarHBondContact O-CB 3.37Å; D17-R32 PolarHBondContact O-N 2.66Å; D17-R32 WeakPolarHBondContact OD2-CD 3.45Å; D17-R32 IonicContact OD2-NE 3.9Å; D17-R32 IonicContact OD2-NH1 3.62Å
18M88.5Confident67.8Low92 Ų9286.8 Ų86.845%0.45350%0.499SS..EExtended strand (participates in β ladder)trans-83.6125.2-174.1-63.7-57.6-64.500110.6A16 S29 V30A16-M18 HydrophobicContact CB-CG 4.1Å; A16-M18 HydrophobicContact CB-SD 3.77Å; A16-M18 WeakPolarHBondContact O-CG 3.47Å; A16-M18 PolarHBondContact O-N 3.32Å; M18-S29 WeakPolarHBondContact CE-OG 3.39Å; M18-V30 WeakPolarHBondContact CA-O 3.37Å
19L89.9Confident70.9Confident5 Ų582 Ų823%0.02649%0.486CS..EExtended strand (participates in β ladder)trans-103.3139175.1177.767.3000110.7V21 V30 F42 F46 V58L19-V21 HydrophobicContact CD2-CG2 3.98Å; L19-V21 HydrophobicContact CG-CG2 4.15Å; L19-V30 HydrophobicContact CB-CG2 4.14Å; L19-V30 PolarHBondContact N-O 3.34Å; L19-V30 PolarHBondContact O-N 3.31Å; L19-F42 HydrophobicContact CD2-CD1 4.22Å; L19-F42 HydrophobicContact CD2-CE1 3.92Å; L19-F46 HydrophobicContact CD2-CE1 3.99Å; L19-F46 HydrophobicContact CD2-CZ 3.65Å; L19-V58 HydrophobicContact CD1-CG2 4.1Å; L19-V58 HydrophobicContact CD2-CG2 4.08Å
20K92.8Very high73.9Confident102 Ų10273.4 Ų73.444%0.44345%0.446SS..EExtended strand (participates in β ladder)trans-87.7126.8167.6-66.4175.4-175.9166.30110I27 F28 E56 E57 V58K20-I27 HydrophobicContact CB-CG2 4.03Å; K20-I27 HydrophobicContact CD-CG2 4.39Å; K20-I27 HydrophobicContact CG-CG2 4.21Å; K20-F28 CarbonylContact C-O 3.29Å; K20-F28 WeakPolarHBondContact CA-O 3.34Å; K20-E56 WeakPolarHBondContact CB-O 3.37Å; K20-E56 PolarHBondContact N-O 3.06Å; K20-E57 HydrophobicContact CB-CB 4.14Å; K20-E57 HydrophobicContact CB-CG 4.04Å; K20-E57 CarbonylContact O-C 3.52Å; K20-E57 VanDerWaalsContact O-CA 3.24Å; K20-E57 WeakPolarHBondContact O-CA 3.32Å; K20-V58 PolarHBondContact O-N 3.42Å
21V93Very high76.9Confident0 Ų070.8 Ų70.80%042%0.424CS..EExtended strand (participates in β ladder)trans-116.7117.5174.6-177.90000108.7L19 V23 I27 F28 V30 F42 V58 L60 F68L19-V21 HydrophobicContact CD2-CG2 3.98Å; L19-V21 HydrophobicContact CG-CG2 4.15Å; V21-V23 HydrophobicContact CG1-CG2 3.98Å; V21-I27 WeakPolarHBondContact O-CA 3.41Å; V21-F28 PolarHBondContact N-O 3.39Å; V21-F28 PolarHBondContact O-N 3.1Å; V21-V30 HydrophobicContact CG2-CG2 3.64Å; V21-F42 HydrophobicContact CG1-CZ 4.27Å; V21-F42 HydrophobicContact CG2-CE1 4.22Å; V21-F42 HydrophobicContact CG2-CZ 3.94Å; V21-V58 CarbonylContact C-O 3.56Å; V21-V58 WeakPolarHBondContact CA-O 3.22Å; V21-L60 HydrophobicContact CG1-CD1 3.64Å; V21-L60 HydrophobicContact CG1-CG 3.96Å; V21-F68 HydrophobicContact CB-CE1 4.32Å; V21-F68 HydrophobicContact CB-CZ 4.07Å; V21-F68 HydrophobicContact CG1-CE1 4.18Å; V21-F68 HydrophobicContact CG1-CE2 4.24Å; V21-F68 HydrophobicContact CG1-CZ 3.75Å; V21-F68 HydrophobicContact CG2-CZ 4.38Å
22N93.1Very high79.7Confident24 Ų2470 Ų7013%0.12840%0.399CS..EExtended strand (participates in β ladder)trans-97.7110.5179-171.2-31.6000110G25 N26 I27 E57 V58 H59 L60N22-G25 WeakPolarHBondContact OD1-CA 3.47Å; N22-G25 PolarHBondContact OD1-N 3.19Å; N22-N26 CarbonylContact C-O 3.55Å; N22-N26 WeakPolarHBondContact CA-O 3.31Å; N22-I27 HydrophobicContact CB-CG1 4.39Å; N22-E57 HydrophobicContact CB-CG 4.3Å; N22-E57 VanDerWaalsContact CB-OE1 3.29Å; N22-E57 WeakPolarHBondContact CB-OE1 3.44Å; N22-E57 PolarHBondContact ND2-OE1 2.88Å; N22-V58 PolarHBondContact N-O 3.4Å; N22-H59 WeakPolarHBondContact O-CA 3.34Å; N22-L60 PolarHBondContact O-N 3.29Å
23V94.3Very high82.5Confident0 Ų065.7 Ų65.70%039%0.385CS..EExtended strand (participates in β ladder)trans-109.8107.7178.3-171.90000108.4V21 G25 N26 F28 L60 V63 V65 F68V21-V23 HydrophobicContact CG1-CG2 3.98Å; V23-G25 PolarHBondContact O-N 3.08Å; V23-G25 VanDerWaalsContact O-N 3.12Å; V23-N26 PolarHBondContact N-O 3.41Å; V23-N26 WeakPolarHBondContact O-CB 3.49Å; V23-N26 PolarHBondContact O-N 3.15Å; V23-F28 HydrophobicContact CB-CD2 4.41Å; V23-F28 HydrophobicContact CB-CE2 4.03Å; V23-F28 HydrophobicContact CG2-CD2 3.98Å; V23-F28 HydrophobicContact CG2-CE2 4.03Å; V23-L60 HydrophobicContact CG2-CB 4.32Å; V23-L60 HydrophobicContact CG2-CD1 4.3Å; V23-V63 HydrophobicContact CG1-CB 4.38Å; V23-V63 HydrophobicContact CG1-CG1 4.5Å; V23-V63 WeakPolarHBondContact CG1-O 3.5Å; V23-V65 HydrophobicContact CG1-CG2 4.21Å; V23-F68 HydrophobicContact CG1-CB 4.49Å; V23-F68 HydrophobicContact CG2-CB 4.16Å; V23-F68 HydrophobicContact CG2-CD1 3.86Å; V23-F68 HydrophobicContact CG2-CD2 4.24Å; V23-F68 HydrophobicContact CG2-CE1 4.3Å; V23-F68 HydrophobicContact CG2-CG 3.82Å
24N88.2Confident85.1Confident93 Ų9363 Ų6350%0.49736%0.364SS..THydrogen-bonded Turntrans47.840.7-179.7-64.1-28.2000114.2L60 R61 V63 V65N24-L60 PolarHBondContact N-O 3.12Å; N24-R61 PolarHBondContact OD1-O 3.38Å; N24-V63 PolarHBondContact ND2-O 3.35Å; N24-V63 VanDerWaalsContact ND2-O 3.11Å; N24-V65 HydrophobicContact CB-CG2 4.17Å
25G87Confident87.4Confident59 Ų5954.5 Ų54.561%0.60832%0.324SS*.THydrogen-bonded Turntrans91.5-4.3179.300000115.2N22 V23N22-G25 WeakPolarHBondContact OD1-CA 3.47Å; N22-G25 PolarHBondContact OD1-N 3.19Å; V23-G25 PolarHBondContact O-N 3.08Å; V23-G25 VanDerWaalsContact O-N 3.12Å
26N92.4Very high89.6Confident78 Ų7851 Ų5142%0.41730%0.295SS..EExtended strand (participates in β ladder)trans-99.2125.1175.6-65.8-91000110N22 V23 F28 V65N22-N26 CarbonylContact C-O 3.55Å; N22-N26 WeakPolarHBondContact CA-O 3.31Å; V23-N26 PolarHBondContact N-O 3.41Å; V23-N26 WeakPolarHBondContact O-CB 3.49Å; V23-N26 PolarHBondContact O-N 3.15Å; N26-F28 HydrophobicContact CB-CE2 3.85Å; N26-F28 HydrophobicContact CB-CZ 4.14Å; N26-V65 HydrophobicContact CB-CG1 4.24Å
27I93.2Very high91.2Very high101 Ų10153.7 Ų53.752%0.51830%0.302SS..EExtended strand (participates in β ladder)trans-97.7124.8-176.8-58.1174.3000110K20 V21 N22K20-I27 HydrophobicContact CB-CG2 4.03Å; K20-I27 HydrophobicContact CD-CG2 4.39Å; K20-I27 HydrophobicContact CG-CG2 4.21Å; V21-I27 WeakPolarHBondContact O-CA 3.41Å; N22-I27 HydrophobicContact CB-CG1 4.39Å
28F94.1Very high91.7Very high30 Ų3052.3 Ų52.313%0.13229%0.294CS..EExtended strand (participates in β ladder)trans-110.5136.4174.5-60.7-82.6000109.9K20 V21 V23 N26 V30 V65 F68 L69 L72K20-F28 CarbonylContact C-O 3.29Å; K20-F28 WeakPolarHBondContact CA-O 3.34Å; V21-F28 PolarHBondContact N-O 3.39Å; V21-F28 PolarHBondContact O-N 3.1Å; V23-F28 HydrophobicContact CB-CD2 4.41Å; V23-F28 HydrophobicContact CB-CE2 4.03Å; V23-F28 HydrophobicContact CG2-CD2 3.98Å; V23-F28 HydrophobicContact CG2-CE2 4.03Å; N26-F28 HydrophobicContact CB-CE2 3.85Å; N26-F28 HydrophobicContact CB-CZ 4.14Å; F28-V30 HydrophobicContact CB-CG1 4.19Å; F28-V65 HydrophobicContact CE2-CG1 4.38Å; F28-V65 HydrophobicContact CZ-CG1 3.93Å; F28-F68 HydrophobicContact CB-CD1 4.42Å; F28-F68 HydrophobicContact CB-CE1 3.86Å; F28-F68 HydrophobicContact CD1-CD1 4.42Å; F28-F68 AromaticContact CD2-CD1 3.64Å; F28-F68 HydrophobicContact CD2-CD1 3.64Å; F28-F68 AromaticContact CD2-CE1 3.84Å; F28-F68 HydrophobicContact CD2-CE1 3.84Å; F28-F68 AromaticContact CE2-CD1 3.97Å; F28-F68 HydrophobicContact CE2-CD1 3.97Å; F28-F68 AromaticContact CG-CD1 3.88Å; F28-F68 HydrophobicContact CG-CD1 3.88Å; F28-F68 AromaticContact CG-CE1 3.83Å; F28-F68 HydrophobicContact CG-CE1 3.83Å; F28-F68 HydrophobicContact CZ-CD1 4.5Å; F28-L69 HydrophobicContact CD1-CD2 4.38Å; F28-L69 HydrophobicContact CE1-CD2 3.5Å; F28-L69 VanDerWaalsContact CE1-CD2 3.5Å; F28-L69 HydrophobicContact CE1-CG 3.91Å; F28-L69 HydrophobicContact CZ-CD2 4.17Å; F28-L69 HydrophobicContact CZ-CG 4.07Å; F28-L72 HydrophobicContact CB-CD1 4.36Å; F28-L72 HydrophobicContact CD1-CD1 3.97Å; F28-L72 HydrophobicContact CG-CD1 4.33Å
29S93Very high92Very high81 Ų8148 Ų4857%0.56627%0.273SS*.EExtended strand (participates in β ladder)trans-96.9117.3170.9-164.40000108.3M18M18-S29 WeakPolarHBondContact CE-OG 3.39Å
30V93.3Very high92.2Very high8 Ų851.1 Ų51.15%0.04829%0.288CS..EExtended strand (participates in β ladder)trans-128.9150.3-174-56.90000110.6M18 L19 V21 F28 R32 M35 F68 L72M18-V30 WeakPolarHBondContact CA-O 3.37Å; L19-V30 HydrophobicContact CB-CG2 4.14Å; L19-V30 PolarHBondContact N-O 3.34Å; L19-V30 PolarHBondContact O-N 3.31Å; V21-V30 HydrophobicContact CG2-CG2 3.64Å; F28-V30 HydrophobicContact CB-CG1 4.19Å; V30-R32 PolarHBondContact O-N 3.13Å; V30-M35 HydrophobicContact CB-CG 4.02Å; V30-M35 HydrophobicContact CB-SD 4.41Å; V30-M35 HydrophobicContact CG2-CG 3.66Å; V30-M35 HydrophobicContact CG2-SD 4.45Å; V30-F68 HydrophobicContact CG1-CE1 4.31Å; V30-F68 HydrophobicContact CG1-CZ 4.4Å; V30-L72 HydrophobicContact CG1-CD1 4.14Å; V30-L72 HydrophobicContact CG1-CD2 3.62Å
31D91.5Very high92.2Very high45 Ų4549.7 Ų49.724%0.24128%0.28CS..EExtended strand (participates in β ladder)trans-73.8126.1174-173.3-61.2000109.9T33 V34 M35D31-T33 VanDerWaalsContact C-N 3.33Å; D31-T33 PolarHBondContact O-N 3.1Å; D31-T33 WeakPolarHBondContact OD1-CA 3.31Å; D31-T33 WeakPolarHBondContact OD1-CB 3.35Å; D31-T33 PolarHBondContact OD1-N 3.23Å; D31-T33 PolarHBondContact OD1-OG1 3.48Å; D31-V34 HydrophobicContact CB-CB 4.05Å; D31-V34 HydrophobicContact CB-CG2 3.79Å; D31-V34 PolarHBondContact O-N 3.02Å; D31-V34 PolarHBondContact OD1-N 2.93Å; D31-M35 WeakPolarHBondContact O-CG 3.06Å; D31-M35 PolarHBondContact O-N 3.42Å; D31-M35 VanDerWaalsContact O-N 3.13Å
32R89.8Confident92.1Very high55 Ų5549.7 Ų49.721%0.20828%0.28CS..Hα-helixtrans-62.1-39.6-177.5-169.1-175-170.9139-0.5112.6D17 V30 M35 A36 F46 C53D17-R32 HydrophobicContact CB-CB 4.2Å; D17-R32 WeakPolarHBondContact O-CB 3.37Å; D17-R32 PolarHBondContact O-N 2.66Å; D17-R32 WeakPolarHBondContact OD2-CD 3.45Å; D17-R32 IonicContact OD2-NE 3.9Å; D17-R32 IonicContact OD2-NH1 3.62Å; V30-R32 PolarHBondContact O-N 3.13Å; R32-M35 PolarHBondContact O-N 3.02Å; R32-A36 WeakPolarHBondContact O-CB 3.33Å; R32-A36 PolarHBondContact O-N 3.32Å; R32-F46 HydrophobicContact CB-CE2 4.48Å; R32-F46 HydrophobicContact CG-CD2 3.8Å; R32-F46 HydrophobicContact CG-CE1 4.16Å; R32-F46 HydrophobicContact CG-CE2 3.32Å; R32-F46 HydrophobicContact CG-CG 4.41Å; R32-F46 HydrophobicContact CG-CZ 3.54Å; R32-F46 WeakPolarHBondContact O-CE2 3.39Å; R32-C53 PolarHBondContact NH2-O 2.86Å
33T90.4Very high92.1Very high79 Ų7951.8 Ų51.849%0.48529%0.286SS..Hα-helixtrans-67.3-46.9-179.166.10000110.4D31 M35 A36 D37D31-T33 VanDerWaalsContact C-N 3.33Å; D31-T33 PolarHBondContact O-N 3.1Å; D31-T33 WeakPolarHBondContact OD1-CA 3.31Å; D31-T33 WeakPolarHBondContact OD1-CB 3.35Å; D31-T33 PolarHBondContact OD1-N 3.23Å; D31-T33 PolarHBondContact OD1-OG1 3.48Å; T33-M35 VanDerWaalsContact C-N 3.29Å; T33-M35 PolarHBondContact O-N 3.44Å; T33-A36 PolarHBondContact O-N 2.95Å; T33-A36 VanDerWaalsContact O-N 3.08Å; T33-D37 WeakPolarHBondContact O-CB 3.28Å; T33-D37 VanDerWaalsContact O-CG 3.31Å; T33-D37 PolarHBondContact O-N 3.01Å
34V92Very high91.9Very high58 Ų5854.6 Ų54.635%0.35231%0.309SS..Hα-helixtrans-57.9-43.4177.5176.40000111.2D31 N38 L75D31-V34 HydrophobicContact CB-CB 4.05Å; D31-V34 HydrophobicContact CB-CG2 3.79Å; D31-V34 PolarHBondContact O-N 3.02Å; D31-V34 PolarHBondContact OD1-N 2.93Å; V34-N38 WeakPolarHBondContact O-CB 3.45Å; V34-N38 PolarHBondContact O-N 2.93Å; V34-N38 PolarHBondContact O-ND2 2.8Å; V34-L75 HydrophobicContact CG1-CB 4.44Å; V34-L75 HydrophobicContact CG1-CD1 4.28Å
35M92.5Very high91.9Very high2 Ų251.1 Ų51.11%0.0129%0.29CS..Hα-helixtrans-67.8-41.2176.9-65.5-56.6-67.100111.9V30 D31 R32 T33 D37 N38 C39 F42 F68 L71 L72 L75V30-M35 HydrophobicContact CB-CG 4.02Å; V30-M35 HydrophobicContact CB-SD 4.41Å; V30-M35 HydrophobicContact CG2-CG 3.66Å; V30-M35 HydrophobicContact CG2-SD 4.45Å; D31-M35 WeakPolarHBondContact O-CG 3.06Å; D31-M35 PolarHBondContact O-N 3.42Å; D31-M35 VanDerWaalsContact O-N 3.13Å; R32-M35 PolarHBondContact O-N 3.02Å; T33-M35 VanDerWaalsContact C-N 3.29Å; T33-M35 PolarHBondContact O-N 3.44Å; M35-D37 VanDerWaalsContact C-N 3.32Å; M35-D37 PolarHBondContact O-N 2.99Å; M35-N38 PolarHBondContact O-N 3.06Å; M35-C39 WeakPolarHBondContact O-CA 3.36Å; M35-C39 VanDerWaalsContact O-CB 3.22Å; M35-C39 WeakPolarHBondContact O-CB 3.24Å; M35-C39 PolarHBondContact O-N 2.73Å; M35-F42 HydrophobicContact CB-CB 4.09Å; M35-F42 HydrophobicContact CB-CD2 3.99Å; M35-F42 HydrophobicContact CB-CG 4.01Å; M35-F42 HydrophobicContact CE-CD2 3.37Å; M35-F42 HydrophobicContact CE-CE2 3.21Å; M35-F42 HydrophobicContact CE-CG 4.43Å; M35-F42 HydrophobicContact CE-CZ 4.14Å; M35-F68 HydrophobicContact CE-CE2 4.04Å; M35-F68 HydrophobicContact CE-CZ 4.11Å; M35-L71 HydrophobicContact CE-CD2 4.23Å; M35-L72 HydrophobicContact SD-CD2 4.26Å; M35-L75 HydrophobicContact SD-CD1 3.96Å
36A91.9Very high92Very high17 Ų1750 Ų5014%0.1427%0.269CS..Hα-helixtrans-63.8-37.6177.300000112.5R32 T33 R43 F46R32-A36 WeakPolarHBondContact O-CB 3.33Å; R32-A36 PolarHBondContact O-N 3.32Å; T33-A36 PolarHBondContact O-N 2.95Å; T33-A36 VanDerWaalsContact O-N 3.08Å; A36-R43 WeakPolarHBondContact O-CB 3.49Å; A36-R43 PolarHBondContact O-NE 3.24Å; A36-R43 PolarHBondContact O-NH2 2.87Å; A36-F46 HydrophobicContact CB-CD2 3.78Å; A36-F46 HydrophobicContact CB-CE2 4.06Å
37D92.1Very high91.7Very high111 Ų11153.5 Ų53.559%0.59428%0.283SS*.Hα-helixtrans-75.1-29.8-177.3-70.1-15.7000112T33 M35 R43T33-D37 WeakPolarHBondContact O-CB 3.28Å; T33-D37 VanDerWaalsContact O-CG 3.31Å; T33-D37 PolarHBondContact O-N 3.01Å; M35-D37 VanDerWaalsContact C-N 3.32Å; M35-D37 PolarHBondContact O-N 2.99Å; D37-R43 PolarHBondContact O-NH2 3.48Å
38N93.7Very high91.2Very high58 Ų5851.5 Ų51.531%0.3128%0.278SS..Hα-helixtrans-110.8-8.1-172.5-66.6-86000115.3V34 M35 L75 V99V34-N38 WeakPolarHBondContact O-CB 3.45Å; V34-N38 PolarHBondContact O-N 2.93Å; V34-N38 PolarHBondContact O-ND2 2.8Å; M35-N38 PolarHBondContact O-N 3.06Å; N38-L75 HydrophobicContact CB-CD1 4.25Å; N38-L75 HydrophobicContact CB-CD2 3.51Å; N38-V99 WeakPolarHBondContact O-CG1 3.25Å
39C94.6Very high90.1Very high1 Ų153.4 Ų53.41%0.00731%0.306CS..  trans-134117.5-176.9167.80000111.2M35 Y41 F42 R43 L97 V99M35-C39 WeakPolarHBondContact O-CA 3.36Å; M35-C39 VanDerWaalsContact O-CB 3.22Å; M35-C39 WeakPolarHBondContact O-CB 3.24Å; M35-C39 PolarHBondContact O-N 2.73Å; C39-Y41 VanDerWaalsContact C-N 3.27Å; C39-Y41 PolarHBondContact O-N 2.64Å; C39-F42 HydrophobicContact CB-CB 4.39Å; C39-F42 HydrophobicContact CB-CD2 3.97Å; C39-F42 PolarHBondContact O-N 3.25Å; C39-F42 WeakPolarHBondContact SG-CD2 3.36Å; C39-R43 PolarHBondContact O-N 2.91Å; C39-L97 VanDerWaalsContact SG-CB 3.58Å; C39-L97 PolarHBondContact SG-O 3.49Å; C39-V99 HydrophobicContact CB-CG2 4.09Å
40E93Very high89.1Confident72 Ų7254.8 Ų54.834%0.33630%0.304SS..Hα-helixtrans-61.5-36.7-178.8-59.9-62.6147.600112F42 R43 A44 L97 Q98E40-F42 PolarHBondContact O-N 3.05Å; E40-R43 PolarHBondContact O-N 3.01Å; E40-R43 IonicContact OE1-CZ 3.5Å; E40-R43 IonicContact OE1-NH1 2.62Å; E40-R43 PolarHBondContact OE1-NH1 3.44Å; E40-R43 IonicContact OE1-NH2 3.91Å; E40-R43 IonicContact OE2-CZ 3.71Å; E40-R43 IonicContact OE2-NH1 2.73Å; E40-R43 PolarHBondContact OE2-NH1 2.74Å; E40-A44 VanDerWaalsContact O-CB 3.3Å; E40-A44 WeakPolarHBondContact O-CB 3.21Å; E40-A44 PolarHBondContact O-N 3.26Å; E40-L97 PolarHBondContact N-O 2.91Å; E40-Q98 HydrophobicContact CB-CB 3.83Å; E40-Q98 HydrophobicContact CG-CB 3.85Å; E40-Q98 PolarHBondContact N-O 3.47Å
41Y92.9Very high87.7Confident71 Ų7164.2 Ų64.228%0.27834%0.339SS..Hα-helixtrans-58.8-48.9177.5172.5-90.7000111.4C39 A44 L45 L60 F96 L97C39-Y41 VanDerWaalsContact C-N 3.27Å; C39-Y41 PolarHBondContact O-N 2.64Å; Y41-A44 PolarHBondContact O-N 3.01Å; Y41-L45 HydrophobicContact CE1-CD2 4.18Å; Y41-L45 VanDerWaalsContact O-CB 3.26Å; Y41-L45 WeakPolarHBondContact O-CB 3.31Å; Y41-L45 PolarHBondContact O-N 3.29Å; Y41-L60 HydrophobicContact CE1-CD2 3.94Å; Y41-F96 HydrophobicContact CD2-CE1 4.28Å; Y41-F96 HydrophobicContact CE2-CE1 4.17Å; Y41-F96 HydrophobicContact CE2-CZ 4.36Å; Y41-L97 HydrophobicContact CD1-CD2 3.71Å; Y41-L97 HydrophobicContact CE1-CD2 4.46Å; Y41-L97 HydrophobicContact CG-CD2 3.94Å; Y41-L97 PolarHBondContact N-O 3.35Å
42F91.9Very high86.6Confident0 Ų065.9 Ų65.90%035%0.346CS..Hα-helixtrans-70.2-37179.6-77.6-69.4000111.9L19 V21 M35 C39 E40 L45 F46 V58 L60 L97L19-F42 HydrophobicContact CD2-CD1 4.22Å; L19-F42 HydrophobicContact CD2-CE1 3.92Å; V21-F42 HydrophobicContact CG1-CZ 4.27Å; V21-F42 HydrophobicContact CG2-CE1 4.22Å; V21-F42 HydrophobicContact CG2-CZ 3.94Å; M35-F42 HydrophobicContact CB-CB 4.09Å; M35-F42 HydrophobicContact CB-CD2 3.99Å; M35-F42 HydrophobicContact CB-CG 4.01Å; M35-F42 HydrophobicContact CE-CD2 3.37Å; M35-F42 HydrophobicContact CE-CE2 3.21Å; M35-F42 HydrophobicContact CE-CG 4.43Å; M35-F42 HydrophobicContact CE-CZ 4.14Å; C39-F42 HydrophobicContact CB-CB 4.39Å; C39-F42 HydrophobicContact CB-CD2 3.97Å; C39-F42 PolarHBondContact O-N 3.25Å; C39-F42 WeakPolarHBondContact SG-CD2 3.36Å; E40-F42 PolarHBondContact O-N 3.05Å; F42-L45 HydrophobicContact CD1-CD2 4.16Å; F42-L45 HydrophobicContact CE1-CD2 4.46Å; F42-L45 PolarHBondContact O-N 3.45Å; F42-F46 HydrophobicContact CB-CD2 4.47Å; F42-F46 HydrophobicContact CB-CE2 3.81Å; F42-F46 HydrophobicContact CB-CZ 4.01Å; F42-F46 HydrophobicContact CD1-CE1 4.11Å; F42-F46 HydrophobicContact CD1-CE2 4.25Å; F42-F46 AromaticContact CD1-CZ 3.57Å; F42-F46 HydrophobicContact CD1-CZ 3.57Å; F42-F46 HydrophobicContact CE1-CZ 4.49Å; F42-F46 HydrophobicContact CG-CE2 4.43Å; F42-F46 HydrophobicContact CG-CZ 4.18Å; F42-F46 WeakPolarHBondContact O-CD2 3.4Å; F42-F46 WeakPolarHBondContact O-CG 3.5Å; F42-F46 PolarHBondContact O-N 3.45Å; F42-V58 HydrophobicContact CE1-CB 4.34Å; F42-V58 HydrophobicContact CE1-CG1 4.03Å; F42-V58 HydrophobicContact CE1-CG2 4.47Å; F42-L60 HydrophobicContact CZ-CD1 4.2Å; F42-L97 HydrophobicContact CD2-CD2 4.48Å; F42-L97 HydrophobicContact CE2-CD1 4.4Å; F42-L97 HydrophobicContact CE2-CD2 3.97Å
43R91.8Very high85.6Confident68 Ų6864.2 Ų64.226%0.25734%0.342SS..Hα-helixtrans-57.7-51.6173.5-162.6179.7-58.8139.61.3111.6A36 D37 C39 E40 L45 F46 Q47A36-R43 WeakPolarHBondContact O-CB 3.49Å; A36-R43 PolarHBondContact O-NE 3.24Å; A36-R43 PolarHBondContact O-NH2 2.87Å; D37-R43 PolarHBondContact O-NH2 3.48Å; C39-R43 PolarHBondContact O-N 2.91Å; E40-R43 PolarHBondContact O-N 3.01Å; E40-R43 IonicContact OE1-CZ 3.5Å; E40-R43 IonicContact OE1-NH1 2.62Å; E40-R43 PolarHBondContact OE1-NH1 3.44Å; E40-R43 IonicContact OE1-NH2 3.91Å; E40-R43 IonicContact OE2-CZ 3.71Å; E40-R43 IonicContact OE2-NH1 2.73Å; E40-R43 PolarHBondContact OE2-NH1 2.74Å; R43-L45 PolarHBondContact O-N 2.95Å; R43-F46 PolarHBondContact O-N 2.6Å; R43-Q47 WeakPolarHBondContact O-CB 3.27Å; R43-Q47 VanDerWaalsContact O-CG 3.27Å; R43-Q47 WeakPolarHBondContact O-CG 3.35Å; R43-Q47 PolarHBondContact O-N 3.33Å
44A90.6Very high84.6Confident59 Ų5968.4 Ų68.449%0.48836%0.356SS..Hα-helixtrans-62.1-43.7177.400000111.2E40 Y41 F46 Q47 S48E40-A44 VanDerWaalsContact O-CB 3.3Å; E40-A44 WeakPolarHBondContact O-CB 3.21Å; E40-A44 PolarHBondContact O-N 3.26Å; Y41-A44 PolarHBondContact O-N 3.01Å; A44-F46 PolarHBondContact O-N 3.04Å; A44-Q47 PolarHBondContact O-N 3.45Å; A44-S48 WeakPolarHBondContact O-CA 3.35Å; A44-S48 WeakPolarHBondContact O-CB 3.09Å; A44-S48 PolarHBondContact O-N 3Å
45L88.9Confident83.8Confident20 Ų2069.3 Ų69.311%0.10536%0.357CS..Hα-helixtrans-56.7-49178.1-176.965.5000111.5Y41 F42 R43 Q47 S48 E52 C53 V58Y41-L45 HydrophobicContact CE1-CD2 4.18Å; Y41-L45 VanDerWaalsContact O-CB 3.26Å; Y41-L45 WeakPolarHBondContact O-CB 3.31Å; Y41-L45 PolarHBondContact O-N 3.29Å; F42-L45 HydrophobicContact CD1-CD2 4.16Å; F42-L45 HydrophobicContact CE1-CD2 4.46Å; F42-L45 PolarHBondContact O-N 3.45Å; R43-L45 PolarHBondContact O-N 2.95Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-Q47 PolarHBondContact O-N 3.11Å; L45-S48 PolarHBondContact O-N 2.86Å; L45-S48 PolarHBondContact O-OG 2.81Å; L45-E52 HydrophobicContact CD1-CB 3.68Å; L45-C53 WeakPolarHBondContact O-CB 3.33Å; L45-V58 HydrophobicContact CD2-CG1 4.22Å; L45-V58 HydrophobicContact CD2-CG2 3.79Å
46F88.1Confident83.2Confident36 Ų3676.9 Ų76.916%0.15839%0.392CS..Hα-helixtrans-73.5-25.9-177.3-55.4-29.8000113.3L19 R32 A36 F42 R43 A44L19-F46 HydrophobicContact CD2-CE1 3.99Å; L19-F46 HydrophobicContact CD2-CZ 3.65Å; R32-F46 HydrophobicContact CB-CE2 4.48Å; R32-F46 HydrophobicContact CG-CD2 3.8Å; R32-F46 HydrophobicContact CG-CE1 4.16Å; R32-F46 HydrophobicContact CG-CE2 3.32Å; R32-F46 HydrophobicContact CG-CG 4.41Å; R32-F46 HydrophobicContact CG-CZ 3.54Å; R32-F46 WeakPolarHBondContact O-CE2 3.39Å; A36-F46 HydrophobicContact CB-CD2 3.78Å; A36-F46 HydrophobicContact CB-CE2 4.06Å; F42-F46 HydrophobicContact CB-CD2 4.47Å; F42-F46 HydrophobicContact CB-CE2 3.81Å; F42-F46 HydrophobicContact CB-CZ 4.01Å; F42-F46 HydrophobicContact CD1-CE1 4.11Å; F42-F46 HydrophobicContact CD1-CE2 4.25Å; F42-F46 AromaticContact CD1-CZ 3.57Å; F42-F46 HydrophobicContact CD1-CZ 3.57Å; F42-F46 HydrophobicContact CE1-CZ 4.49Å; F42-F46 HydrophobicContact CG-CE2 4.43Å; F42-F46 HydrophobicContact CG-CZ 4.18Å; F42-F46 WeakPolarHBondContact O-CD2 3.4Å; F42-F46 WeakPolarHBondContact O-CG 3.5Å; F42-F46 PolarHBondContact O-N 3.45Å; R43-F46 PolarHBondContact O-N 2.6Å; A44-F46 PolarHBondContact O-N 3.04Å
47Q86.8Confident83Confident152 Ų15278.7 Ų78.771%0.7140%0.397SS*.Hα-helixtrans-89.8-12177.2-66.4176.6-0.800113.6R43 A44 L45 G49R43-Q47 WeakPolarHBondContact O-CB 3.27Å; R43-Q47 VanDerWaalsContact O-CG 3.27Å; R43-Q47 WeakPolarHBondContact O-CG 3.35Å; R43-Q47 PolarHBondContact O-N 3.33Å; A44-Q47 PolarHBondContact O-N 3.45Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-Q47 PolarHBondContact O-N 3.11Å; Q47-G49 VanDerWaalsContact C-N 3.3Å; Q47-G49 PolarHBondContact O-N 3.42Å
48S82.5Confident82.8Confident59 Ų5973.8 Ų73.841%0.41337%0.371SS..SBendtrans-69.1-19.7-172.2660000115.3A44 L45 M50A44-S48 WeakPolarHBondContact O-CA 3.35Å; A44-S48 WeakPolarHBondContact O-CB 3.09Å; A44-S48 PolarHBondContact O-N 3Å; L45-S48 PolarHBondContact O-N 2.86Å; L45-S48 PolarHBondContact O-OG 2.81Å; S48-M50 PolarHBondContact O-N 3.41Å; S48-M50 VanDerWaalsContact OG-CB 3.31Å; S48-M50 WeakPolarHBondContact OG-CB 3.49Å; S48-M50 WeakPolarHBondContact OG-CG 3.4Å; S48-M50 PolarHBondContact OG-N 3.4Å
49G70.6Confident82.7Confident69 Ų6976 Ų7671%0.71138%0.379SS*.  trans66.48.2-17100000114.5Q47Q47-G49 VanDerWaalsContact C-N 3.3Å; Q47-G49 PolarHBondContact O-N 3.42Å
50M73Confident82.5Confident110 Ų11076 Ų7654%0.54238%0.38SS..  trans-74.8159.9178.3-67-77.7-71.400111.6S48 E52 C53S48-M50 PolarHBondContact O-N 3.41Å; S48-M50 VanDerWaalsContact OG-CB 3.31Å; S48-M50 WeakPolarHBondContact OG-CB 3.49Å; S48-M50 WeakPolarHBondContact OG-CG 3.4Å; S48-M50 PolarHBondContact OG-N 3.4Å; M50-E52 WeakPolarHBondContact CB-OE2 3.3Å; M50-E52 PolarHBondContact O-N 3.49Å; M50-E52 VanDerWaalsContact O-N 3.12Å; M50-C53 WeakPolarHBondContact O-CB 3.26Å; M50-C53 PolarHBondContact O-N 3.23Å; M50-C53 PolarHBondContact O-SG 2.88Å
51R62.8Low82.1Confident207 Ų20782.7 Ų82.778%0.78140%0.402SS*.G310 helixtrans-58.2-32.2-177.8-173.5177.1174.8-173.7-2.2112.4C53 Q54R51-C53 PolarHBondContact O-N 3.43Å; R51-Q54 PolarHBondContact O-N 3.48Å; R51-Q54 VanDerWaalsContact O-N 3.08Å
52E69.1Low81.7Confident80 Ų8082.9 Ų82.937%0.37441%0.414SS..G310 helixtrans-62.5-22.7176.9-63.381.7173.700112.6L45 M50 Q54 Q55L45-E52 HydrophobicContact CD1-CB 3.68Å; M50-E52 WeakPolarHBondContact CB-OE2 3.3Å; M50-E52 PolarHBondContact O-N 3.49Å; M50-E52 VanDerWaalsContact O-N 3.12Å; E52-Q54 PolarHBondContact O-N 3.28Å; E52-Q55 PolarHBondContact O-N 2.72Å
53C68Low81.6Confident19 Ų1983 Ų8313%0.12841%0.414CS..G310 helixtrans-72.1-19.1174.385.90000112.8R32 L45 M50 R51R32-C53 PolarHBondContact NH2-O 2.86Å; L45-C53 WeakPolarHBondContact O-CB 3.33Å; M50-C53 WeakPolarHBondContact O-CB 3.26Å; M50-C53 PolarHBondContact O-N 3.23Å; M50-C53 PolarHBondContact O-SG 2.88Å; R51-C53 PolarHBondContact O-N 3.43Å
54Q69.5Low81.6Confident167 Ų16780.1 Ų80.178%0.7841%0.405SS*.G310 helixtrans-100.42.6177.9-60.3-171.9-9.300112.7R51 E52R51-Q54 PolarHBondContact O-N 3.48Å; R51-Q54 VanDerWaalsContact O-N 3.08Å; E52-Q54 PolarHBondContact O-N 3.28Å
55Q75.5Confident81.9Confident78 Ų7878.7 Ų78.736%0.36439%0.391SS..  trans-78.8136.8179-70.4-179.6-11.100111E52 E57E52-Q55 PolarHBondContact O-N 2.72Å; Q55-E57 PolarHBondContact O-N 3.49Å
56E79.1Confident82.2Confident160 Ų16081.4 Ų81.475%0.74840%0.403SS*.SBendtrans-73.8-17.2171.8-65.1-175.5-179.900112.5K20K20-E56 WeakPolarHBondContact CB-O 3.37Å; K20-E56 PolarHBondContact N-O 3.06Å
57E88.1Confident82.6Confident56 Ų5679.7 Ų79.726%0.26240%0.395SS..EExtended strand (participates in β ladder)trans-134.2121-178.5-171.7176.4167.900112.4K20 N22 Q55 H59K20-E57 HydrophobicContact CB-CB 4.14Å; K20-E57 HydrophobicContact CB-CG 4.04Å; K20-E57 CarbonylContact O-C 3.52Å; K20-E57 VanDerWaalsContact O-CA 3.24Å; K20-E57 WeakPolarHBondContact O-CA 3.32Å; N22-E57 HydrophobicContact CB-CG 4.3Å; N22-E57 VanDerWaalsContact CB-OE1 3.29Å; N22-E57 WeakPolarHBondContact CB-OE1 3.44Å; N22-E57 PolarHBondContact ND2-OE1 2.88Å; Q55-E57 PolarHBondContact O-N 3.49Å; E57-H59 IonicContact OE1-CE1 3.42Å; E57-H59 PolarHBondContact OE1-CE1 3.08Å; E57-H59 IonicContact OE1-NE2 3.4Å; E57-H59 PolarHBondContact OE1-NE2 2.91Å
58V89Confident83.1Confident7 Ų772.5 Ų72.54%0.04236%0.362CS..EExtended strand (participates in β ladder)trans-102.7130.3175.31740000109.9L19 K20 V21 N22 F42 L45 L60L19-V58 HydrophobicContact CD1-CG2 4.1Å; L19-V58 HydrophobicContact CD2-CG2 4.08Å; K20-V58 PolarHBondContact O-N 3.42Å; V21-V58 CarbonylContact C-O 3.56Å; V21-V58 WeakPolarHBondContact CA-O 3.22Å; N22-V58 PolarHBondContact N-O 3.4Å; F42-V58 HydrophobicContact CE1-CB 4.34Å; F42-V58 HydrophobicContact CE1-CG1 4.03Å; F42-V58 HydrophobicContact CE1-CG2 4.47Å; L45-V58 HydrophobicContact CD2-CG1 4.22Å; L45-V58 HydrophobicContact CD2-CG2 3.79Å; V58-L60 HydrophobicContact CG1-CD2 4.21Å
59H90.3Very high83.7Confident104 Ų10472.7 Ų72.748%0.48136%0.358SS..EExtended strand (participates in β ladder)trans-102.9120.4-178.8-67.769.8000111.4N22 E57N22-H59 WeakPolarHBondContact O-CA 3.34Å; E57-H59 IonicContact OE1-CE1 3.42Å; E57-H59 PolarHBondContact OE1-CE1 3.08Å; E57-H59 IonicContact OE1-NE2 3.4Å; E57-H59 PolarHBondContact OE1-NE2 2.91Å
60L90.6Very high85Confident2 Ų269.5 Ų69.51%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-108.6114175.7-58.6-178.6000109.4V21 N22 V23 N24 Y41 F42 V58 V63 F68 F96 L97V21-L60 HydrophobicContact CG1-CD1 3.64Å; V21-L60 HydrophobicContact CG1-CG 3.96Å; N22-L60 PolarHBondContact O-N 3.29Å; V23-L60 HydrophobicContact CG2-CB 4.32Å; V23-L60 HydrophobicContact CG2-CD1 4.3Å; N24-L60 PolarHBondContact N-O 3.12Å; Y41-L60 HydrophobicContact CE1-CD2 3.94Å; F42-L60 HydrophobicContact CZ-CD1 4.2Å; V58-L60 HydrophobicContact CG1-CD2 4.21Å; L60-V63 HydrophobicContact CB-CB 4.49Å; L60-F68 HydrophobicContact CD1-CD2 4.37Å; L60-F68 HydrophobicContact CD1-CE2 4.09Å; L60-F96 HydrophobicContact CD2-CE1 3.98Å; L60-L97 HydrophobicContact CD1-CD1 4.32Å; L60-L97 HydrophobicContact CD1-CD2 4.09Å; L60-L97 HydrophobicContact CD2-CD2 4.39Å
61R85.1Confident86.2Confident212 Ų21264.2 Ų64.280%0.830%0.299SS*.SBendtrans-100.2-17.1179.7-63.8-174.8-178.1-178.81114.1N24N24-R61 PolarHBondContact OD1-O 3.38Å
62S83.7Confident87.8Confident76 Ų7655.8 Ų55.853%0.53127%0.269SS..SBendtrans-104.19.7-173.9-520000113.3
63V90.2Very high89.1Confident2 Ų256.6 Ų56.61%0.01227%0.269CS..SBendtrans-120.3135.5-177.8179.60000108.8V23 N24 L60 F68 C93 F96 L97V23-V63 HydrophobicContact CG1-CB 4.38Å; V23-V63 HydrophobicContact CG1-CG1 4.5Å; V23-V63 WeakPolarHBondContact CG1-O 3.5Å; N24-V63 PolarHBondContact ND2-O 3.35Å; N24-V63 VanDerWaalsContact ND2-O 3.11Å; L60-V63 HydrophobicContact CB-CB 4.49Å; V63-F68 HydrophobicContact CG1-CB 4.23Å; V63-F68 HydrophobicContact CG1-CD2 4.47Å; V63-C93 HydrophobicContact CG1-CB 3.8Å; V63-F96 HydrophobicContact CG2-CB 3.96Å; V63-F96 HydrophobicContact CG2-CD1 3.56Å; V63-F96 HydrophobicContact CG2-CE1 4.35Å; V63-F96 HydrophobicContact CG2-CG 3.89Å; V63-L97 HydrophobicContact CG2-CG 4.35Å
64G92.9Very high90.5Very high7 Ų756 Ų567%0.07226%0.264CS..  trans-72149.2173.900000113.2G67 F68 E89G64-G67 PolarHBondContact O-N 3.12Å; G64-F68 PolarHBondContact O-N 2.97Å; G64-E89 WeakPolarHBondContact CA-OE2 3.03Å
65V95.6Very high91.7Very high30 Ų3049.8 Ų49.818%0.18224%0.236CC..Hα-helixtrans-68-41.4-177.6-178.20000111.3V23 N24 N26 F28 F68 L69 E89V23-V65 HydrophobicContact CG1-CG2 4.21Å; N24-V65 HydrophobicContact CB-CG2 4.17Å; N26-V65 HydrophobicContact CB-CG1 4.24Å; F28-V65 HydrophobicContact CE2-CG1 4.38Å; F28-V65 HydrophobicContact CZ-CG1 3.93Å; V65-F68 PolarHBondContact O-N 3.14Å; V65-L69 HydrophobicContact CG1-CD1 4.37Å; V65-L69 WeakPolarHBondContact O-CG 3.32Å; V65-L69 PolarHBondContact O-N 3.33Å; V65-E89 PolarHBondContact N-OE2 3.37Å
66Q96.1Very high92.5Very high77 Ų7753 Ų5336%0.3625%0.251SS..Hα-helixtrans-67.9-40.4176.5-62.2-61.3-49.800111F68 L69 V70 Q86 E89Q66-F68 VanDerWaalsContact C-N 3.33Å; Q66-F68 PolarHBondContact O-N 3.4Å; Q66-L69 WeakPolarHBondContact O-CB 3.34Å; Q66-L69 PolarHBondContact O-N 3.36Å; Q66-V70 WeakPolarHBondContact O-CG2 3.38Å; Q66-V70 PolarHBondContact O-N 3.28Å; Q66-Q86 HydrophobicContact CB-CG 4.23Å; Q66-E89 WeakPolarHBondContact CA-OE2 3.46Å; Q66-E89 VanDerWaalsContact CB-OE2 3.27Å; Q66-E89 WeakPolarHBondContact CB-OE2 3.29Å; Q66-E89 PolarHBondContact N-OE2 3.07Å
67G96.2Very high93.1Very high0 Ų047.5 Ų47.50%024%0.238CC..Hα-helixtrans-58.7-43.9175.300000112.5G64 V70 L71 E89G64-G67 PolarHBondContact O-N 3.12Å; G67-V70 PolarHBondContact O-N 3.23Å; G67-L71 PolarHBondContact O-N 2.99Å; G67-E89 PolarHBondContact N-OE2 3.36Å; G67-E89 VanDerWaalsContact N-OE2 3.14Å
68F96.7Very high93.4Very high0 Ų048.5 Ų48.50%024%0.243CC..Hα-helixtrans-68.9-37.9176.5-163.5-102.9000112.6V21 V23 F28 V30 M35 L60 V63 G64 V65 Q66 V70 L71 L72 L97V21-F68 HydrophobicContact CB-CE1 4.32Å; V21-F68 HydrophobicContact CB-CZ 4.07Å; V21-F68 HydrophobicContact CG1-CE1 4.18Å; V21-F68 HydrophobicContact CG1-CE2 4.24Å; V21-F68 HydrophobicContact CG1-CZ 3.75Å; V21-F68 HydrophobicContact CG2-CZ 4.38Å; V23-F68 HydrophobicContact CG1-CB 4.49Å; V23-F68 HydrophobicContact CG2-CB 4.16Å; V23-F68 HydrophobicContact CG2-CD1 3.86Å; V23-F68 HydrophobicContact CG2-CD2 4.24Å; V23-F68 HydrophobicContact CG2-CE1 4.3Å; V23-F68 HydrophobicContact CG2-CG 3.82Å; F28-F68 HydrophobicContact CB-CD1 4.42Å; F28-F68 HydrophobicContact CB-CE1 3.86Å; F28-F68 HydrophobicContact CD1-CD1 4.42Å; F28-F68 AromaticContact CD2-CD1 3.64Å; F28-F68 HydrophobicContact CD2-CD1 3.64Å; F28-F68 AromaticContact CD2-CE1 3.84Å; F28-F68 HydrophobicContact CD2-CE1 3.84Å; F28-F68 AromaticContact CE2-CD1 3.97Å; F28-F68 HydrophobicContact CE2-CD1 3.97Å; F28-F68 AromaticContact CG-CD1 3.88Å; F28-F68 HydrophobicContact CG-CD1 3.88Å; F28-F68 AromaticContact CG-CE1 3.83Å; F28-F68 HydrophobicContact CG-CE1 3.83Å; F28-F68 HydrophobicContact CZ-CD1 4.5Å; V30-F68 HydrophobicContact CG1-CE1 4.31Å; V30-F68 HydrophobicContact CG1-CZ 4.4Å; M35-F68 HydrophobicContact CE-CE2 4.04Å; M35-F68 HydrophobicContact CE-CZ 4.11Å; L60-F68 HydrophobicContact CD1-CD2 4.37Å; L60-F68 HydrophobicContact CD1-CE2 4.09Å; V63-F68 HydrophobicContact CG1-CB 4.23Å; V63-F68 HydrophobicContact CG1-CD2 4.47Å; G64-F68 PolarHBondContact O-N 2.97Å; V65-F68 PolarHBondContact O-N 3.14Å; Q66-F68 VanDerWaalsContact C-N 3.33Å; Q66-F68 PolarHBondContact O-N 3.4Å; F68-V70 PolarHBondContact O-N 3.18Å; F68-L71 HydrophobicContact CD2-CD2 4Å; F68-L71 HydrophobicContact CE2-CD2 3.99Å; F68-L71 WeakPolarHBondContact O-CB 3.36Å; F68-L71 PolarHBondContact O-N 2.94Å; F68-L72 HydrophobicContact CD1-CD1 4.09Å; F68-L72 HydrophobicContact CD1-CG 4.27Å; F68-L72 HydrophobicContact CE1-CD1 3.87Å; F68-L72 HydrophobicContact CE1-CD2 4.11Å; F68-L72 HydrophobicContact CE1-CG 4.07Å; F68-L72 HydrophobicContact CZ-CD2 4.26Å; F68-L72 WeakPolarHBondContact O-CG 3.44Å; F68-L72 PolarHBondContact O-N 2.84Å; F68-L97 HydrophobicContact CD2-CD1 4.01Å; F68-L97 HydrophobicContact CE2-CD1 3.95Å
69L96.8Very high93.6Very high63 Ų6353.7 Ų53.733%0.3326%0.261SS..Hα-helixtrans-61-43.5173.1-81.2168.8000112.3F28 V65 Q66 L71 L72 R73F28-L69 HydrophobicContact CD1-CD2 4.38Å; F28-L69 HydrophobicContact CE1-CD2 3.5Å; F28-L69 VanDerWaalsContact CE1-CD2 3.5Å; F28-L69 HydrophobicContact CE1-CG 3.91Å; F28-L69 HydrophobicContact CZ-CD2 4.17Å; F28-L69 HydrophobicContact CZ-CG 4.07Å; V65-L69 HydrophobicContact CG1-CD1 4.37Å; V65-L69 WeakPolarHBondContact O-CG 3.32Å; V65-L69 PolarHBondContact O-N 3.33Å; Q66-L69 WeakPolarHBondContact O-CB 3.34Å; Q66-L69 PolarHBondContact O-N 3.36Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L72 PolarHBondContact O-N 2.85Å; L69-R73 WeakPolarHBondContact O-CG 3.24Å; L69-R73 PolarHBondContact O-N 2.88Å; L69-R73 VanDerWaalsContact O-N 3.16Å
70V97.7Very high93.8Very high2 Ų249.2 Ų49.21%0.01224%0.242CC..Hα-helixtrans-62.9-43.1176172.10000110.5Q66 G67 F68 L72 R73 V74 P80 L82 Q86 L102Q66-V70 WeakPolarHBondContact O-CG2 3.38Å; Q66-V70 PolarHBondContact O-N 3.28Å; G67-V70 PolarHBondContact O-N 3.23Å; F68-V70 PolarHBondContact O-N 3.18Å; V70-L72 PolarHBondContact O-N 3.39Å; V70-R73 PolarHBondContact O-N 3.26Å; V70-V74 HydrophobicContact CG1-CG2 4.26Å; V70-V74 WeakPolarHBondContact O-CG2 3.31Å; V70-V74 PolarHBondContact O-N 2.86Å; V70-P80 HydrophobicContact CG1-CG 4.34Å; V70-L82 HydrophobicContact CB-CD2 4.42Å; V70-L82 HydrophobicContact CG1-CD1 4.09Å; V70-L82 HydrophobicContact CG1-CD2 3.74Å; V70-L82 HydrophobicContact CG2-CD2 3.71Å; V70-Q86 HydrophobicContact CG2-CB 4.42Å; V70-Q86 HydrophobicContact CG2-CG 4.43Å; V70-L102 HydrophobicContact CG1-CD1 3.86Å
71L97.3Very high94Very high0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-52-54.6173.9170.361.7000111.2M35 G67 F68 L69 R73 V74 L75 L97 V99 L102M35-L71 HydrophobicContact CE-CD2 4.23Å; G67-L71 PolarHBondContact O-N 2.99Å; F68-L71 HydrophobicContact CD2-CD2 4Å; F68-L71 HydrophobicContact CE2-CD2 3.99Å; F68-L71 WeakPolarHBondContact O-CB 3.36Å; F68-L71 PolarHBondContact O-N 2.94Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.98Å; L71-V74 PolarHBondContact O-N 3.13Å; L71-V74 VanDerWaalsContact O-N 3.12Å; L71-L75 HydrophobicContact CD1-CD1 3.93Å; L71-L75 HydrophobicContact CD1-CD2 4.23Å; L71-L75 HydrophobicContact CD1-CG 3.88Å; L71-L75 HydrophobicContact CG-CD1 4.16Å; L71-L75 HydrophobicContact CG-CG 4.41Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 2.84Å; L71-L97 HydrophobicContact CD2-CD1 3.74Å; L71-V99 HydrophobicContact CD1-CB 4Å; L71-V99 HydrophobicContact CD1-CG1 3.35Å; L71-V99 HydrophobicContact CD1-CG2 3.87Å; L71-V99 HydrophobicContact CD2-CG2 4.18Å; L71-L102 HydrophobicContact CB-CD2 4.13Å; L71-L102 HydrophobicContact CD1-CB 4.26Å; L71-L102 HydrophobicContact CD1-CD2 4.3Å
72L96.3Very high94.5Very high30 Ų3043.8 Ų43.816%0.15723%0.226CC..Hα-helixtrans-58.6-42.1-177.7-64.3-179.3000112.3F28 V30 M35 F68 L69 V70 L75 Q76F28-L72 HydrophobicContact CB-CD1 4.36Å; F28-L72 HydrophobicContact CD1-CD1 3.97Å; F28-L72 HydrophobicContact CG-CD1 4.33Å; V30-L72 HydrophobicContact CG1-CD1 4.14Å; V30-L72 HydrophobicContact CG1-CD2 3.62Å; M35-L72 HydrophobicContact SD-CD2 4.26Å; F68-L72 HydrophobicContact CD1-CD1 4.09Å; F68-L72 HydrophobicContact CD1-CG 4.27Å; F68-L72 HydrophobicContact CE1-CD1 3.87Å; F68-L72 HydrophobicContact CE1-CD2 4.11Å; F68-L72 HydrophobicContact CE1-CG 4.07Å; F68-L72 HydrophobicContact CZ-CD2 4.26Å; F68-L72 WeakPolarHBondContact O-CG 3.44Å; F68-L72 PolarHBondContact O-N 2.84Å; L69-L72 PolarHBondContact O-N 2.85Å; V70-L72 PolarHBondContact O-N 3.39Å; L72-L75 PolarHBondContact O-N 2.73Å; L72-Q76 VanDerWaalsContact O-CG 3.3Å; L72-Q76 WeakPolarHBondContact O-CG 3.23Å; L72-Q76 PolarHBondContact O-N 3.5Å
73R96.8Very high95.1Very high97 Ų9744.2 Ų44.237%0.36622%0.223SC..Hα-helixtrans-63.2-43176.7-68.1175.667.9-166.7-0111.9L69 V70 L71 Q76 G77 E78L69-R73 WeakPolarHBondContact O-CG 3.24Å; L69-R73 PolarHBondContact O-N 2.88Å; L69-R73 VanDerWaalsContact O-N 3.16Å; V70-R73 PolarHBondContact O-N 3.26Å; L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.98Å; R73-Q76 WeakPolarHBondContact O-CB 3.19Å; R73-Q76 PolarHBondContact O-N 3.28Å; R73-G77 PolarHBondContact O-N 3.39Å; R73-E78 HydrophobicContact CB-CB 4.15Å; R73-E78 HydrophobicContact CB-CG 4.41Å; R73-E78 IonicContact CZ-OE2 2.86Å; R73-E78 IonicContact NE-OE2 3.56Å; R73-E78 PolarHBondContact NE-OE2 2.92Å; R73-E78 IonicContact NH2-OE2 3.7Å; R73-E78 PolarHBondContact NH2-OE2 3.29Å; R73-E78 VanDerWaalsContact O-CB 3.23Å; R73-E78 WeakPolarHBondContact O-CB 3.27Å; R73-E78 PolarHBondContact O-N 3.15Å
74V96.7Very high95.4Very high6 Ų645.8 Ų45.84%0.03624%0.239CC..Hα-helixtrans-64-40.6177.7170.50000111.5V70 L71 Q76 G77 R79 P80 L102 H105V70-V74 HydrophobicContact CG1-CG2 4.26Å; V70-V74 WeakPolarHBondContact O-CG2 3.31Å; V70-V74 PolarHBondContact O-N 2.86Å; L71-V74 PolarHBondContact O-N 3.13Å; L71-V74 VanDerWaalsContact O-N 3.12Å; V74-Q76 VanDerWaalsContact C-N 3.26Å; V74-Q76 PolarHBondContact O-N 3.3Å; V74-G77 PolarHBondContact O-N 3.49Å; V74-R79 PolarHBondContact O-NH1 3.38Å; V74-P80 HydrophobicContact CG2-CG 4.46Å; V74-L102 HydrophobicContact CG2-CD1 4.09Å; V74-H105 HydrophobicContact CG1-CB 3.97Å; V74-H105 HydrophobicContact CG2-CB 4.03Å
75L94.8Very high95.5Very high37 Ų3751.2 Ų51.219%0.19427%0.267CS..Hα-helixtrans-66-28.8175.5-64.4-174.6000112.6V34 M35 N38 L71 L72 G77 V99 A101V34-L75 HydrophobicContact CG1-CB 4.44Å; V34-L75 HydrophobicContact CG1-CD1 4.28Å; M35-L75 HydrophobicContact SD-CD1 3.96Å; N38-L75 HydrophobicContact CB-CD1 4.25Å; N38-L75 HydrophobicContact CB-CD2 3.51Å; L71-L75 HydrophobicContact CD1-CD1 3.93Å; L71-L75 HydrophobicContact CD1-CD2 4.23Å; L71-L75 HydrophobicContact CD1-CG 3.88Å; L71-L75 HydrophobicContact CG-CD1 4.16Å; L71-L75 HydrophobicContact CG-CG 4.41Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 2.84Å; L72-L75 PolarHBondContact O-N 2.73Å; L75-G77 PolarHBondContact O-N 2.93Å; L75-V99 HydrophobicContact CD2-CG1 4.44Å; L75-A101 HydrophobicContact CD2-CB 4.23Å
76Q93.4Very high95.6Very high144 Ų14451.3 Ų51.367%0.67327%0.266SS*.THydrogen-bonded Turntrans-76.82.1171.6-70.6170.2-6.800113.5L72 R73 V74L72-Q76 VanDerWaalsContact O-CG 3.3Å; L72-Q76 WeakPolarHBondContact O-CG 3.23Å; L72-Q76 PolarHBondContact O-N 3.5Å; R73-Q76 WeakPolarHBondContact O-CB 3.19Å; R73-Q76 PolarHBondContact O-N 3.28Å; V74-Q76 VanDerWaalsContact C-N 3.26Å; V74-Q76 PolarHBondContact O-N 3.3Å
77G90.9Very high95.7Very high46 Ų4647.8 Ų47.847%0.47425%0.249SC..THydrogen-bonded Turntrans88.10.8-179.600000114.3R73 V74 L75R73-G77 PolarHBondContact O-N 3.39Å; V74-G77 PolarHBondContact O-N 3.49Å; L75-G77 PolarHBondContact O-N 2.93Å
78E93.8Very high95.8Very high77 Ų7749.7 Ų49.736%0.3626%0.261SS..  trans-69158.8173.5-57-173.5-155.500111.5R73R73-E78 HydrophobicContact CB-CB 4.15Å; R73-E78 HydrophobicContact CB-CG 4.41Å; R73-E78 IonicContact CZ-OE2 2.86Å; R73-E78 IonicContact NE-OE2 3.56Å; R73-E78 PolarHBondContact NE-OE2 2.92Å; R73-E78 IonicContact NH2-OE2 3.7Å; R73-E78 PolarHBondContact NH2-OE2 3.29Å; R73-E78 VanDerWaalsContact O-CB 3.23Å; R73-E78 WeakPolarHBondContact O-CB 3.27Å; R73-E78 PolarHBondContact O-N 3.15Å
79R93.2Very high95.8Very high116 Ų11652.1 Ų52.144%0.43827%0.272SS..  trans-132.265.9179.7-58-65.8177.4-111.13.4110.8V74 H105 M315V74-R79 PolarHBondContact O-NH1 3.38Å; R79-H105 VanDerWaalsContact C-CE1 3.44Å; R79-M315 HydrophobicContact CB-CE 4.27Å
80P94.8Very high95.9Very high10 Ų1049.1 Ų49.17%0.06526%0.256CS..  trans-68.4139.3-174.727.8-34.5000112.7V70 V74 L82 H105V70-P80 HydrophobicContact CG1-CG 4.34Å; V74-P80 HydrophobicContact CG2-CG 4.46Å; P80-L82 HydrophobicContact CB-CD2 4.14Å; P80-L82 HydrophobicContact CG-CD2 4.03Å; P80-H105 PolarHBondContact O-CE1 3.37Å; P80-H105 PolarHBondContact O-NE2 2.93Å
81M94.3Very high95.9Very high79 Ų7949 Ų4939%0.38926%0.256SS..  trans-70.3139.4160-66.4-60.5101.400109.1I109 M315 T386M81-I109 HydrophobicContact CE-CB 4.17Å; M81-I109 HydrophobicContact CE-CG2 3.41Å; M81-I109 VanDerWaalsContact CE-CG2 3.41Å; M81-I109 HydrophobicContact SD-CG2 4.35Å; M81-M315 HydrophobicContact CE-CE 3.44Å; M81-M315 VanDerWaalsContact CE-CE 3.44Å; M81-M315 HydrophobicContact CE-SD 4.44Å; M81-T386 HydrophobicContact CG-CG2 4.25Å
82L96.1Very high95.9Very high20 Ų2051 Ų5111%0.10527%0.265CS..  trans-113.8139.2-172.8-54.4-175.1000111.1V70 P80 Q86 I87 M106 I109V70-L82 HydrophobicContact CB-CD2 4.42Å; V70-L82 HydrophobicContact CG1-CD1 4.09Å; V70-L82 HydrophobicContact CG1-CD2 3.74Å; V70-L82 HydrophobicContact CG2-CD2 3.71Å; P80-L82 HydrophobicContact CB-CD2 4.14Å; P80-L82 HydrophobicContact CG-CD2 4.03Å; L82-Q86 HydrophobicContact CB-CB 4.08Å; L82-Q86 HydrophobicContact CD2-CB 4.3Å; L82-I87 HydrophobicContact CB-CD1 4.38Å; L82-I87 HydrophobicContact CB-CG1 3.65Å; L82-I87 HydrophobicContact CD1-CG1 4.31Å; L82-M106 HydrophobicContact CD1-CG 4.47Å; L82-I109 HydrophobicContact CB-CD1 4Å; L82-I109 HydrophobicContact CD1-CD1 3.71Å; L82-I109 HydrophobicContact CG-CD1 3.57Å
83N96.1Very high95.9Very high85 Ų8549.5 Ų49.546%0.45526%0.257SS..  trans-83.9176.5167.868.235.6000111.4D85 Q86 I87N83-D85 PolarHBondContact O-N 2.96Å; N83-D85 PolarHBondContact OD1-N 3.29Å; N83-Q86 VanDerWaalsContact N-OE1 3.12Å; N83-Q86 PolarHBondContact ND2-OE1 3Å; N83-Q86 PolarHBondContact O-N 2.74Å; N83-Q86 WeakPolarHBondContact OD1-CB 3.17Å; N83-Q86 VanDerWaalsContact OD1-CG 3.31Å; N83-Q86 WeakPolarHBondContact OD1-CG 3.4Å; N83-Q86 PolarHBondContact OD1-N 3.19Å; N83-I87 VanDerWaalsContact O-CG1 3.24Å; N83-I87 WeakPolarHBondContact O-CG1 3.49Å; N83-I87 PolarHBondContact O-N 3.01Å
84G96.3Very high95.8Very high35 Ų3545.1 Ų45.136%0.36124%0.241SC..Hα-helixtrans-55.5-48.2-176.200000114.3I87 V88G84-I87 WeakPolarHBondContact O-CB 3.41Å; G84-I87 PolarHBondContact O-N 3.31Å; G84-V88 PolarHBondContact O-N 3.28Å; G84-V88 VanDerWaalsContact O-N 3.13Å
85D96.3Very high95.8Very high122 Ų12246.4 Ų46.465%0.65225%0.252SS*.Hα-helixtrans-65.8-42.9-178.8-59.5-26.9000111.3N83 I87 V88 E89N83-D85 PolarHBondContact O-N 2.96Å; N83-D85 PolarHBondContact OD1-N 3.29Å; D85-I87 VanDerWaalsContact C-N 3.3Å; D85-I87 PolarHBondContact O-N 3.39Å; D85-V88 PolarHBondContact O-N 2.99Å; D85-E89 PolarHBondContact O-N 3.17Å
86Q97.6Very high95.8Very high32 Ų3248.2 Ų48.215%0.1526%0.259CS..Hα-helixtrans-62.3-36.9176.5-74.1174.6-3200112.3Q66 V70 L82 N83 S90Q66-Q86 HydrophobicContact CB-CG 4.23Å; V70-Q86 HydrophobicContact CG2-CB 4.42Å; V70-Q86 HydrophobicContact CG2-CG 4.43Å; L82-Q86 HydrophobicContact CB-CB 4.08Å; L82-Q86 HydrophobicContact CD2-CB 4.3Å; N83-Q86 VanDerWaalsContact N-OE1 3.12Å; N83-Q86 PolarHBondContact ND2-OE1 3Å; N83-Q86 PolarHBondContact O-N 2.74Å; N83-Q86 WeakPolarHBondContact OD1-CB 3.17Å; N83-Q86 VanDerWaalsContact OD1-CG 3.31Å; N83-Q86 WeakPolarHBondContact OD1-CG 3.4Å; N83-Q86 PolarHBondContact OD1-N 3.19Å; Q86-S90 WeakPolarHBondContact O-CB 3.44Å; Q86-S90 PolarHBondContact O-N 3.14Å; Q86-S90 PolarHBondContact O-OG 2.72Å
87I98.1Very high95.9Very high2 Ų241.4 Ų41.41%0.0123%0.227CC..Hα-helixtrans-63.3-50.1175.8-71.8170.1000110L82 N83 G84 D85 S90 I91 N114 L117 M118L82-I87 HydrophobicContact CB-CD1 4.38Å; L82-I87 HydrophobicContact CB-CG1 3.65Å; L82-I87 HydrophobicContact CD1-CG1 4.31Å; N83-I87 VanDerWaalsContact O-CG1 3.24Å; N83-I87 WeakPolarHBondContact O-CG1 3.49Å; N83-I87 PolarHBondContact O-N 3.01Å; G84-I87 WeakPolarHBondContact O-CB 3.41Å; G84-I87 PolarHBondContact O-N 3.31Å; D85-I87 VanDerWaalsContact C-N 3.3Å; D85-I87 PolarHBondContact O-N 3.39Å; I87-S90 PolarHBondContact O-N 2.98Å; I87-I91 HydrophobicContact CG2-CD1 3.82Å; I87-I91 VanDerWaalsContact O-CG1 3.29Å; I87-I91 WeakPolarHBondContact O-CG1 3.47Å; I87-I91 PolarHBondContact O-N 3.46Å; I87-N114 HydrophobicContact CD1-CB 3.72Å; I87-L117 HydrophobicContact CB-CD2 4.3Å; I87-L117 HydrophobicContact CD1-CD2 4.45Å; I87-L117 HydrophobicContact CG2-CD2 4.17Å; I87-L117 HydrophobicContact CG2-CG 4.25Å; I87-M118 HydrophobicContact CD1-CE 3.81Å; I87-M118 HydrophobicContact CG1-CE 3.86Å; I87-M118 HydrophobicContact CG2-CE 4.16Å; I87-M118 HydrophobicContact CG2-CG 3.78Å
88V97.8Very high96.1Very high41 Ų4144.6 Ų44.625%0.24823%0.229CC..Hα-helixtrans-60.5-52.2-178.41750000110.6G84 D85 S90 I91 E92 L117 T121G84-V88 PolarHBondContact O-N 3.28Å; G84-V88 VanDerWaalsContact O-N 3.13Å; D85-V88 PolarHBondContact O-N 2.99Å; V88-S90 VanDerWaalsContact C-N 3.28Å; V88-S90 PolarHBondContact O-N 3.38Å; V88-I91 PolarHBondContact O-N 2.8Å; V88-E92 WeakPolarHBondContact O-CG 3.33Å; V88-E92 PolarHBondContact O-N 2.75Å; V88-L117 HydrophobicContact CG2-CD1 3.93Å; V88-L117 HydrophobicContact CG2-CD2 4.47Å; V88-L117 HydrophobicContact CG2-CG 4.48Å; V88-T121 HydrophobicContact CB-CG2 4.47Å; V88-T121 HydrophobicContact CG1-CG2 4.21Å; V88-T121 HydrophobicContact CG2-CG2 4.33Å
89E97.4Very high96.2Very high50 Ų5041 Ų4123%0.23421%0.213CC..Hα-helixtrans-65.4-30.6-179.6-68.9-169.8-153.500112.6G64 V65 Q66 G67 D85 C93G64-E89 WeakPolarHBondContact CA-OE2 3.03Å; V65-E89 PolarHBondContact N-OE2 3.37Å; Q66-E89 WeakPolarHBondContact CA-OE2 3.46Å; Q66-E89 VanDerWaalsContact CB-OE2 3.27Å; Q66-E89 WeakPolarHBondContact CB-OE2 3.29Å; Q66-E89 PolarHBondContact N-OE2 3.07Å; G67-E89 PolarHBondContact N-OE2 3.36Å; G67-E89 VanDerWaalsContact N-OE2 3.14Å; D85-E89 PolarHBondContact O-N 3.17Å; E89-C93 WeakPolarHBondContact O-CB 3.32Å; E89-C93 PolarHBondContact O-N 2.91Å
90S98Very high96.3Very high0 Ų039.2 Ų39.20%022%0.216CC..Hα-helixtrans-72-35.2176.2-67.20000112.3Q86 I87 V88 C93 T94Q86-S90 WeakPolarHBondContact O-CB 3.44Å; Q86-S90 PolarHBondContact O-N 3.14Å; Q86-S90 PolarHBondContact O-OG 2.72Å; I87-S90 PolarHBondContact O-N 2.98Å; V88-S90 VanDerWaalsContact C-N 3.28Å; V88-S90 PolarHBondContact O-N 3.38Å; S90-C93 PolarHBondContact O-N 3.04Å; S90-T94 PolarHBondContact O-N 3.37Å
91I97.9Very high96.3Very high0 Ų040.4 Ų40.40%023%0.227CC..Hα-helixtrans-67.9-43.6173.2-66.9170.2000110.2I87 V88 C93 T94 A95 M106 T121 A122 Y125 V127 L130I87-I91 HydrophobicContact CG2-CD1 3.82Å; I87-I91 VanDerWaalsContact O-CG1 3.29Å; I87-I91 WeakPolarHBondContact O-CG1 3.47Å; I87-I91 PolarHBondContact O-N 3.46Å; V88-I91 PolarHBondContact O-N 2.8Å; I91-C93 VanDerWaalsContact C-N 3.33Å; I91-C93 PolarHBondContact O-N 2.89Å; I91-T94 WeakPolarHBondContact O-CG2 3.27Å; I91-T94 PolarHBondContact O-N 3.41Å; I91-A95 VanDerWaalsContact O-CB 3.25Å; I91-A95 WeakPolarHBondContact O-CB 3.35Å; I91-A95 PolarHBondContact O-N 3.47Å; I91-M106 HydrophobicContact CG1-CE 4.04Å; I91-M106 HydrophobicContact CG1-SD 3.58Å; I91-M106 VanDerWaalsContact CG1-SD 3.58Å; I91-T121 HydrophobicContact CB-CG2 4.01Å; I91-T121 HydrophobicContact CD1-CG2 3.87Å; I91-T121 HydrophobicContact CG2-CG2 3.93Å; I91-A122 HydrophobicContact CD1-CB 4.45Å; I91-A122 HydrophobicContact CG2-CB 4.44Å; I91-Y125 HydrophobicContact CG2-CD2 4.09Å; I91-Y125 HydrophobicContact CG2-CG 4.43Å; I91-V127 HydrophobicContact CG2-CG2 4.03Å; I91-L130 HydrophobicContact CD1-CD2 3.85Å; I91-L130 HydrophobicContact CG1-CD2 3.72Å
92E96.4Very high96.4Very high41 Ų4136.6 Ų36.619%0.19221%0.208CC..Hα-helixtrans-57.8-46.7172.3-74.3172.2-171.800111.7V88 A95 F96 Y125V88-E92 WeakPolarHBondContact O-CG 3.33Å; V88-E92 PolarHBondContact O-N 2.75Å; E92-A95 PolarHBondContact O-N 3.45Å; E92-F96 WeakPolarHBondContact O-CB 3.09Å; E92-F96 PolarHBondContact O-N 2.87Å; E92-Y125 VanDerWaalsContact CD-OH 3.26Å; E92-Y125 HydrophobicContact CG-CD1 4.23Å; E92-Y125 HydrophobicContact CG-CD2 4.06Å; E92-Y125 HydrophobicContact CG-CE1 3.68Å; E92-Y125 HydrophobicContact CG-CE2 3.43Å; E92-Y125 VanDerWaalsContact CG-CE2 3.43Å; E92-Y125 HydrophobicContact CG-CG 4.42Å; E92-Y125 WeakPolarHBondContact CG-OH 3.27Å; E92-Y125 PolarHBondContact OE1-OH 3.26Å
93C96.3Very high96.5Very high0 Ų036 Ų360%021%0.206CC..Hα-helixtrans-58.7-51.2178.2-174.10000111.2V63 E89 S90 I91 A95 F96 L97 L102V63-C93 HydrophobicContact CG1-CB 3.8Å; E89-C93 WeakPolarHBondContact O-CB 3.32Å; E89-C93 PolarHBondContact O-N 2.91Å; S90-C93 PolarHBondContact O-N 3.04Å; I91-C93 VanDerWaalsContact C-N 3.33Å; I91-C93 PolarHBondContact O-N 2.89Å; C93-A95 PolarHBondContact O-N 2.94Å; C93-F96 PolarHBondContact O-N 3.44Å; C93-L97 VanDerWaalsContact O-CB 3.23Å; C93-L97 WeakPolarHBondContact O-CB 3.18Å; C93-L97 PolarHBondContact O-N 3.38Å; C93-L102 HydrophobicContact CB-CD2 4.31Å
94T95.6Very high96.5Very high5 Ų535.4 Ų35.43%0.03120%0.199CC..Hα-helixtrans-68.8-32.9179.1-159.10000112.6S90 I91 Q98 V99 T103 M106 V127S90-T94 PolarHBondContact O-N 3.37Å; I91-T94 WeakPolarHBondContact O-CG2 3.27Å; I91-T94 PolarHBondContact O-N 3.41Å; T94-Q98 WeakPolarHBondContact O-CA 3.38Å; T94-Q98 PolarHBondContact O-N 3.45Å; T94-V99 PolarHBondContact OG1-N 2.94Å; T94-V99 PolarHBondContact OG1-O 3.12Å; T94-T103 PolarHBondContact OG1-OG1 3.41Å; T94-M106 HydrophobicContact CG2-CE 3.55Å; T94-V127 HydrophobicContact CG2-CG1 3.94Å; T94-V127 HydrophobicContact CG2-CG2 3.78Å
95A96.1Very high96.5Very high33 Ų3334 Ų3427%0.27318%0.183SC..Hα-helixtrans-65.7-42.4176.700000111.6I91 E92 C93 V127I91-A95 VanDerWaalsContact O-CB 3.25Å; I91-A95 WeakPolarHBondContact O-CB 3.35Å; I91-A95 PolarHBondContact O-N 3.47Å; E92-A95 PolarHBondContact O-N 3.45Å; C93-A95 PolarHBondContact O-N 2.94Å; A95-V127 HydrophobicContact CB-CG2 3.71Å
96F96Very high96.6Very high75 Ų7528.1 Ų28.133%0.32915%0.151SC..Hα-helixtrans-76.5-47.2-179.3-173.7-91.9000112.4Y41 L60 V63 E92 C93Y41-F96 HydrophobicContact CD2-CE1 4.28Å; Y41-F96 HydrophobicContact CE2-CE1 4.17Å; Y41-F96 HydrophobicContact CE2-CZ 4.36Å; L60-F96 HydrophobicContact CD2-CE1 3.98Å; V63-F96 HydrophobicContact CG2-CB 3.96Å; V63-F96 HydrophobicContact CG2-CD1 3.56Å; V63-F96 HydrophobicContact CG2-CE1 4.35Å; V63-F96 HydrophobicContact CG2-CG 3.89Å; E92-F96 WeakPolarHBondContact O-CB 3.09Å; E92-F96 PolarHBondContact O-N 2.87Å; C93-F96 PolarHBondContact O-N 3.44Å
97L95.4Very high96.6Very high0 Ų028.4 Ų28.40%015%0.153CC..Hα-helixtrans-87.4-17.2-174.7-67.4-177.9000113.3C39 E40 Y41 F42 L60 V63 F68 L71 C93 V99C39-L97 VanDerWaalsContact SG-CB 3.58Å; C39-L97 PolarHBondContact SG-O 3.49Å; E40-L97 PolarHBondContact N-O 2.91Å; Y41-L97 HydrophobicContact CD1-CD2 3.71Å; Y41-L97 HydrophobicContact CE1-CD2 4.46Å; Y41-L97 HydrophobicContact CG-CD2 3.94Å; Y41-L97 PolarHBondContact N-O 3.35Å; F42-L97 HydrophobicContact CD2-CD2 4.48Å; F42-L97 HydrophobicContact CE2-CD1 4.4Å; F42-L97 HydrophobicContact CE2-CD2 3.97Å; L60-L97 HydrophobicContact CD1-CD1 4.32Å; L60-L97 HydrophobicContact CD1-CD2 4.09Å; L60-L97 HydrophobicContact CD2-CD2 4.39Å; V63-L97 HydrophobicContact CG2-CG 4.35Å; F68-L97 HydrophobicContact CD2-CD1 4.01Å; F68-L97 HydrophobicContact CE2-CD1 3.95Å; L71-L97 HydrophobicContact CD2-CD1 3.74Å; C93-L97 VanDerWaalsContact O-CB 3.23Å; C93-L97 WeakPolarHBondContact O-CB 3.18Å; C93-L97 PolarHBondContact O-N 3.38Å; L97-V99 HydrophobicContact CB-CG2 3.7Å
98Q95.1Very high96.4Very high113 Ų11330.3 Ų30.353%0.52816%0.163SC..  trans55.275.6-174.8-62.1172.670.800111E40 T94 P100E40-Q98 HydrophobicContact CB-CB 3.83Å; E40-Q98 HydrophobicContact CG-CB 3.85Å; E40-Q98 PolarHBondContact N-O 3.47Å; T94-Q98 WeakPolarHBondContact O-CA 3.38Å; T94-Q98 PolarHBondContact O-N 3.45Å; Q98-P100 WeakPolarHBondContact O-CD 3.43Å
99V95.3Very high96.4Very high1 Ų128.9 Ų28.91%0.00615%0.154CC..  trans-116.294.1-175.8-171.50000110.6N38 C39 L71 L75 T94 L97 A101 L102 T103N38-V99 WeakPolarHBondContact O-CG1 3.25Å; C39-V99 HydrophobicContact CB-CG2 4.09Å; L71-V99 HydrophobicContact CD1-CB 4Å; L71-V99 HydrophobicContact CD1-CG1 3.35Å; L71-V99 HydrophobicContact CD1-CG2 3.87Å; L71-V99 HydrophobicContact CD2-CG2 4.18Å; L75-V99 HydrophobicContact CD2-CG1 4.44Å; T94-V99 PolarHBondContact OG1-N 2.94Å; T94-V99 PolarHBondContact OG1-O 3.12Å; L97-V99 HydrophobicContact CB-CG2 3.7Å; V99-A101 VanDerWaalsContact C-N 3.27Å; V99-A101 HydrophobicContact CG1-CB 4.4Å; V99-A101 PolarHBondContact O-N 3Å; V99-L102 HydrophobicContact CB-CB 4.06Å; V99-L102 HydrophobicContact CG1-CB 3.92Å; V99-L102 PolarHBondContact O-N 2.83Å; V99-L102 VanDerWaalsContact O-N 3.09Å; V99-T103 PolarHBondContact O-N 3.32Å; V99-T103 VanDerWaalsContact O-N 3.13Å; V99-T103 PolarHBondContact O-OG1 2.81Å
100P95.1Very high96.3Very high80 Ų8027.4 Ų27.452%0.51915%0.148SC..Hα-helixtrans-56.4-37.5-179.1-26.835.1000113.7Q98 L102 T103 K104Q98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-L102 VanDerWaalsContact C-N 3.33Å; P100-L102 PolarHBondContact O-N 3.33Å; P100-T103 PolarHBondContact O-N 2.79Å; P100-K104 WeakPolarHBondContact O-CB 3.14Å; P100-K104 PolarHBondContact O-N 2.86Å
101A95.1Very high96.2Very high34 Ų3428 Ų2828%0.28115%0.152SC..Hα-helixtrans-61.3-39.2178.500000112.7L75 V99 H105L75-A101 HydrophobicContact CD2-CB 4.23Å; V99-A101 VanDerWaalsContact C-N 3.27Å; V99-A101 HydrophobicContact CG1-CB 4.4Å; V99-A101 PolarHBondContact O-N 3Å; A101-H105 PolarHBondContact O-N 3.36Å
102L97.3Very high96Very high0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-72.2-41.5176.8-178.457.3000111.3V70 L71 V74 C93 V99 P100 K104 H105 M106V70-L102 HydrophobicContact CG1-CD1 3.86Å; L71-L102 HydrophobicContact CB-CD2 4.13Å; L71-L102 HydrophobicContact CD1-CB 4.26Å; L71-L102 HydrophobicContact CD1-CD2 4.3Å; V74-L102 HydrophobicContact CG2-CD1 4.09Å; C93-L102 HydrophobicContact CB-CD2 4.31Å; V99-L102 HydrophobicContact CB-CB 4.06Å; V99-L102 HydrophobicContact CG1-CB 3.92Å; V99-L102 PolarHBondContact O-N 2.83Å; V99-L102 VanDerWaalsContact O-N 3.09Å; P100-L102 VanDerWaalsContact C-N 3.33Å; P100-L102 PolarHBondContact O-N 3.33Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 2.94Å; L102-H105 PolarHBondContact O-N 2.82Å; L102-M106 HydrophobicContact CG-CE 4.18Å; L102-M106 WeakPolarHBondContact O-CG 3.44Å; L102-M106 PolarHBondContact O-N 2.76Å
103T97.3Very high95.9Very high8 Ų835.3 Ų35.35%0.04919%0.19CC..Hα-helixtrans-57.2-47.2173.2-56.30000111.1T94 V99 P100 H105 M106 M107 V127 E129 L130T94-T103 PolarHBondContact OG1-OG1 3.41Å; V99-T103 PolarHBondContact O-N 3.32Å; V99-T103 VanDerWaalsContact O-N 3.13Å; V99-T103 PolarHBondContact O-OG1 2.81Å; P100-T103 PolarHBondContact O-N 2.79Å; T103-H105 PolarHBondContact O-N 2.98Å; T103-M106 PolarHBondContact O-N 3.29Å; T103-M107 HydrophobicContact CG2-CE 4.4Å; T103-M107 WeakPolarHBondContact O-CG 3.43Å; T103-M107 PolarHBondContact O-N 3.48Å; T103-V127 HydrophobicContact CG2-CG1 3.96Å; T103-E129 HydrophobicContact CG2-CB 4.32Å; T103-L130 HydrophobicContact CG2-CB 4.2Å
104K95.9Very high96Very high72 Ų7236.2 Ų36.231%0.31320%0.195SC..Hα-helixtrans-60.5-44.1175.7-179.3175.6166.2179.90112.7P100 L102 M106 M107 N108 E268 N316P100-K104 WeakPolarHBondContact O-CB 3.14Å; P100-K104 PolarHBondContact O-N 2.86Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 2.94Å; K104-M106 VanDerWaalsContact C-N 3.34Å; K104-M106 PolarHBondContact O-N 2.73Å; K104-M107 HydrophobicContact CB-CE 4.21Å; K104-M107 PolarHBondContact O-N 3.24Å; K104-N108 VanDerWaalsContact O-CG 3.27Å; K104-N108 PolarHBondContact O-N 2.86Å; K104-N108 VanDerWaalsContact O-N 3.15Å; K104-N108 PolarHBondContact O-ND2 3.31Å; K104-E268 VanDerWaalsContact CE-CD 3.49Å; K104-E268 WeakPolarHBondContact CE-OE1 3.11Å; K104-E268 WeakPolarHBondContact CE-OE2 3.17Å; K104-E268 IonicContact NZ-OE1 2.71Å; K104-E268 PolarHBondContact NZ-OE1 2.86Å; K104-E268 IonicContact NZ-OE2 3.9Å; K104-E268 PolarHBondContact NZ-OE2 2.62Å; K104-N316 VanDerWaalsContact CE-ND2 3.28Å; K104-N316 WeakPolarHBondContact CE-ND2 3.48Å
105H97.1Very high96.1Very high4 Ų436 Ų362%0.01919%0.193CC..Hα-helixtrans-58.4-46.3174177.563.8000111.8V74 R79 P80 A101 L102 T103 M107 N108 I109V74-H105 HydrophobicContact CG1-CB 3.97Å; V74-H105 HydrophobicContact CG2-CB 4.03Å; R79-H105 VanDerWaalsContact C-CE1 3.44Å; P80-H105 PolarHBondContact O-CE1 3.37Å; P80-H105 PolarHBondContact O-NE2 2.93Å; A101-H105 PolarHBondContact O-N 3.36Å; L102-H105 PolarHBondContact O-N 2.82Å; T103-H105 PolarHBondContact O-N 2.98Å; H105-M107 VanDerWaalsContact C-N 3.34Å; H105-M107 PolarHBondContact O-N 3.32Å; H105-N108 WeakPolarHBondContact O-CB 3.07Å; H105-N108 PolarHBondContact O-N 2.94Å; H105-N108 VanDerWaalsContact O-N 3.12Å; H105-I109 PolarHBondContact O-N 3.49Å
106M97.4Very high96.2Very high0 Ų036.2 Ų36.20%019%0.19CC..Hα-helixtrans-62.2-39.7178.5-69.3-173-68.900112.5L82 I91 T94 L102 T103 K104 N108 I109 I110 M118 L130L82-M106 HydrophobicContact CD1-CG 4.47Å; I91-M106 HydrophobicContact CG1-CE 4.04Å; I91-M106 HydrophobicContact CG1-SD 3.58Å; I91-M106 VanDerWaalsContact CG1-SD 3.58Å; T94-M106 HydrophobicContact CG2-CE 3.55Å; L102-M106 HydrophobicContact CG-CE 4.18Å; L102-M106 WeakPolarHBondContact O-CG 3.44Å; L102-M106 PolarHBondContact O-N 2.76Å; T103-M106 PolarHBondContact O-N 3.29Å; K104-M106 VanDerWaalsContact C-N 3.34Å; K104-M106 PolarHBondContact O-N 2.73Å; M106-N108 VanDerWaalsContact C-N 3.27Å; M106-N108 PolarHBondContact O-N 2.97Å; M106-I109 VanDerWaalsContact O-CG1 3.31Å; M106-I109 WeakPolarHBondContact O-CG1 3.49Å; M106-I109 PolarHBondContact O-N 3.06Å; M106-I110 PolarHBondContact O-N 2.71Å; M106-M118 HydrophobicContact CB-CE 4.32Å; M106-M118 HydrophobicContact CB-SD 4.44Å; M106-L130 HydrophobicContact CB-CD1 3.84Å; M106-L130 HydrophobicContact CB-CD2 3.93Å; M106-L130 HydrophobicContact CE-CD2 3.74Å; M106-L130 HydrophobicContact SD-CD2 3.94Å
107M97Very high96.3Very high38 Ų3835.6 Ų35.619%0.18719%0.19CC..Hα-helixtrans-60.2-37.2174.4-68.3-173.8-64.900112.3T103 K104 H105 I109 I110 E129 L130 H133T103-M107 HydrophobicContact CG2-CE 4.4Å; T103-M107 WeakPolarHBondContact O-CG 3.43Å; T103-M107 PolarHBondContact O-N 3.48Å; K104-M107 HydrophobicContact CB-CE 4.21Å; K104-M107 PolarHBondContact O-N 3.24Å; H105-M107 VanDerWaalsContact C-N 3.34Å; H105-M107 PolarHBondContact O-N 3.32Å; M107-I109 VanDerWaalsContact C-N 3.26Å; M107-I109 PolarHBondContact O-N 3.4Å; M107-I110 WeakPolarHBondContact O-CG1 3.35Å; M107-E129 HydrophobicContact SD-CB 4.36Å; M107-L130 HydrophobicContact CG-CD1 3.72Å; M107-H133 HydrophobicContact CG-CB 4.13Å; M107-H133 HydrophobicContact SD-CB 4.09Å; M107-H133 VanDerWaalsContact SD-CE1 3.55Å; M107-H133 VanDerWaalsContact SD-CG 3.52Å; M107-H133 PolarHBondContact SD-ND1 3.44Å
108N95.4Very high96.4Very high42 Ų4235.6 Ų35.623%0.22519%0.19CC..Hα-helixtrans-73.2-14.4-178.4-68.2-28.2000114.5K104 H105 M106 N316K104-N108 VanDerWaalsContact O-CG 3.27Å; K104-N108 PolarHBondContact O-N 2.86Å; K104-N108 VanDerWaalsContact O-N 3.15Å; K104-N108 PolarHBondContact O-ND2 3.31Å; H105-N108 WeakPolarHBondContact O-CB 3.07Å; H105-N108 PolarHBondContact O-N 2.94Å; H105-N108 VanDerWaalsContact O-N 3.12Å; M106-N108 VanDerWaalsContact C-N 3.27Å; M106-N108 PolarHBondContact O-N 2.97Å; N108-N316 VanDerWaalsContact OD1-CB 3.22Å; N108-N316 WeakPolarHBondContact OD1-CB 3.23Å
109I96.3Very high96.5Very high11 Ų1130.5 Ų30.56%0.05617%0.165CC..THydrogen-bonded Turntrans-112.19-178.169.8171.7000112.9M81 L82 H105 M106 M107 S111 N114 M118 M315M81-I109 HydrophobicContact CE-CB 4.17Å; M81-I109 HydrophobicContact CE-CG2 3.41Å; M81-I109 VanDerWaalsContact CE-CG2 3.41Å; M81-I109 HydrophobicContact SD-CG2 4.35Å; L82-I109 HydrophobicContact CB-CD1 4Å; L82-I109 HydrophobicContact CD1-CD1 3.71Å; L82-I109 HydrophobicContact CG-CD1 3.57Å; H105-I109 PolarHBondContact O-N 3.49Å; M106-I109 VanDerWaalsContact O-CG1 3.31Å; M106-I109 WeakPolarHBondContact O-CG1 3.49Å; M106-I109 PolarHBondContact O-N 3.06Å; M107-I109 VanDerWaalsContact C-N 3.26Å; M107-I109 PolarHBondContact O-N 3.4Å; I109-S111 PolarHBondContact O-N 3.1Å; I109-N114 PolarHBondContact O-ND2 3.08Å; I109-M118 HydrophobicContact CD1-CE 3.89Å; I109-M118 HydrophobicContact CG1-CE 3.72Å; I109-M315 HydrophobicContact CG2-CE 4.12Å
110I96.9Very high96.7Very high19 Ų1934 Ų3410%0.09718%0.182CC..  trans-58.6132.7173-63.9169000109.1M106 M107 N114 C115 M118 L130 H133 F137M106-I110 PolarHBondContact O-N 2.71Å; M107-I110 WeakPolarHBondContact O-CG1 3.35Å; I110-N114 WeakPolarHBondContact CA-OD1 3.49Å; I110-C115 HydrophobicContact CG2-CB 3.91Å; I110-M118 HydrophobicContact CG1-SD 3.75Å; I110-L130 HydrophobicContact CD1-CD1 4.15Å; I110-L130 HydrophobicContact CG1-CD1 4.49Å; I110-H133 HydrophobicContact CD1-CB 4Å; I110-F137 HydrophobicContact CG2-CB 3.73Å; I110-F137 HydrophobicContact CG2-CD1 3.9Å; I110-F137 HydrophobicContact CG2-CD2 3.85Å; I110-F137 HydrophobicContact CG2-CE2 4.46Å; I110-F137 HydrophobicContact CG2-CG 3.54Å
111S95.4Very high96.8Very high11 Ų1130.7 Ų30.78%0.07716%0.16CC..  trans-147.3170.2-17969.70000110.8I109 E113 N114 C115 F137I109-S111 PolarHBondContact O-N 3.1Å; S111-E113 PolarHBondContact O-N 2.87Å; S111-E113 VanDerWaalsContact O-N 3.13Å; S111-E113 PolarHBondContact OG-N 3.33Å; S111-N114 PolarHBondContact N-OD1 2.7Å; S111-N114 PolarHBondContact O-N 2.72Å; S111-N114 PolarHBondContact O-OD1 2.94Å; S111-N114 VanDerWaalsContact OG-CG 3.29Å; S111-N114 PolarHBondContact OG-ND2 3.38Å; S111-N114 PolarHBondContact OG-OD1 3.16Å; S111-C115 WeakPolarHBondContact O-CB 3.39Å; S111-C115 PolarHBondContact O-N 3.06Å; S111-C115 PolarHBondContact O-SG 3.33Å; S111-F137 VanDerWaalsContact C-CE1 3.48Å
112S94.6Very high97Very high36 Ų3629 Ų2925%0.25215%0.147SC..THydrogen-bonded Turntrans-58.9-26.3175.2650000113.5R361 D412S112-R361 PolarHBondContact OG-NH2 3.22Å; S112-D412 WeakPolarHBondContact CB-OD2 3.18Å; S112-D412 PolarHBondContact OG-OD2 2.8Å
113E94.4Very high97Very high159 Ų15931 Ų3174%0.74316%0.163SC*.THydrogen-bonded Turntrans-79.9-26-175.3-68.3165.2-136.700112.2S111 R361S111-E113 PolarHBondContact O-N 2.87Å; S111-E113 VanDerWaalsContact O-N 3.13Å; S111-E113 PolarHBondContact OG-N 3.33Å; E113-R361 IonicContact OE1-CZ 3.88Å; E113-R361 IonicContact OE1-NH1 3.64Å; E113-R361 PolarHBondContact OE1-NH1 2.97Å; E113-R361 IonicContact OE1-NH2 2.8Å
114N96.9Very high97Very high19 Ų1935 Ų3510%0.10219%0.187CC..THydrogen-bonded Turntrans-122.9-10-173.66722.4000114.6I87 I109 I110 S111 L116 L117 M118I87-N114 HydrophobicContact CD1-CB 3.72Å; I109-N114 PolarHBondContact O-ND2 3.08Å; I110-N114 WeakPolarHBondContact CA-OD1 3.49Å; S111-N114 PolarHBondContact N-OD1 2.7Å; S111-N114 PolarHBondContact O-N 2.72Å; S111-N114 PolarHBondContact O-OD1 2.94Å; S111-N114 VanDerWaalsContact OG-CG 3.29Å; S111-N114 PolarHBondContact OG-ND2 3.38Å; S111-N114 PolarHBondContact OG-OD1 3.16Å; N114-L116 VanDerWaalsContact C-N 3.33Å; N114-L116 PolarHBondContact O-N 3.24Å; N114-L117 PolarHBondContact O-N 2.81Å; N114-M118 WeakPolarHBondContact O-CG 3.29Å; N114-M118 PolarHBondContact O-N 3.1Å
115C97.8Very high97Very high0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-58.2-39.5-17259.40000114I110 S111 Y119 F137 I138I110-C115 HydrophobicContact CG2-CB 3.91Å; S111-C115 WeakPolarHBondContact O-CB 3.39Å; S111-C115 PolarHBondContact O-N 3.06Å; S111-C115 PolarHBondContact O-SG 3.33Å; C115-Y119 WeakPolarHBondContact O-CB 3.49Å; C115-Y119 PolarHBondContact O-N 2.87Å; C115-F137 HydrophobicContact CB-CD1 3.64Å; C115-F137 HydrophobicContact CB-CE1 4.08Å; C115-I138 HydrophobicContact CB-CG1 3.96Å
116L97.8Very high97Very high39 Ų3939.2 Ų39.220%0.20422%0.22CC..Hα-helixtrans-69-43.4178.6-69.1161.4000112N114 Y119 H120 I138 D148 V149 L152N114-L116 VanDerWaalsContact C-N 3.33Å; N114-L116 PolarHBondContact O-N 3.24Å; L116-Y119 PolarHBondContact O-N 2.72Å; L116-H120 WeakPolarHBondContact O-CB 3.24Å; L116-H120 PolarHBondContact O-N 3.42Å; L116-I138 HydrophobicContact CD2-CD1 4.03Å; L116-D148 HydrophobicContact CD1-CB 3.4Å; L116-D148 HydrophobicContact CD2-CB 4.4Å; L116-V149 HydrophobicContact CD2-CG2 4.46Å; L116-L152 HydrophobicContact CD2-CD1 3.92Å; L116-L152 HydrophobicContact CD2-CD2 4.38Å; L116-L152 HydrophobicContact CD2-CG 4.32Å
117L97.9Very high97Very high62 Ų6240 Ų4033%0.32523%0.225SC..Hα-helixtrans-62.2-47.6175.5176.663.2000110.5I87 V88 N114 Y119 T121I87-L117 HydrophobicContact CB-CD2 4.3Å; I87-L117 HydrophobicContact CD1-CD2 4.45Å; I87-L117 HydrophobicContact CG2-CD2 4.17Å; I87-L117 HydrophobicContact CG2-CG 4.25Å; V88-L117 HydrophobicContact CG2-CD1 3.93Å; V88-L117 HydrophobicContact CG2-CD2 4.47Å; V88-L117 HydrophobicContact CG2-CG 4.48Å; N114-L117 PolarHBondContact O-N 2.81Å; L117-Y119 PolarHBondContact O-N 3.16Å; L117-T121 VanDerWaalsContact O-CB 3.27Å; L117-T121 WeakPolarHBondContact O-CB 3.39Å; L117-T121 PolarHBondContact O-N 3.46Å; L117-T121 PolarHBondContact O-OG1 3.14Å
118M98.1Very high97Very high0 Ų045.1 Ų45.10%024%0.242CC..Hα-helixtrans-60.4-45.8176.3-72.8-152.3174.700111.5I87 M106 I109 I110 N114 A122 L130I87-M118 HydrophobicContact CD1-CE 3.81Å; I87-M118 HydrophobicContact CG1-CE 3.86Å; I87-M118 HydrophobicContact CG2-CE 4.16Å; I87-M118 HydrophobicContact CG2-CG 3.78Å; M106-M118 HydrophobicContact CB-CE 4.32Å; M106-M118 HydrophobicContact CB-SD 4.44Å; I109-M118 HydrophobicContact CD1-CE 3.89Å; I109-M118 HydrophobicContact CG1-CE 3.72Å; I110-M118 HydrophobicContact CG1-SD 3.75Å; N114-M118 WeakPolarHBondContact O-CG 3.29Å; N114-M118 PolarHBondContact O-N 3.1Å; M118-A122 WeakPolarHBondContact O-CB 3.22Å; M118-A122 PolarHBondContact O-N 3.39Å; M118-L130 HydrophobicContact SD-CD1 4.08Å
119Y98.6Very high97.1Very high5 Ų548.7 Ų48.72%0.0226%0.257CS..Hα-helixtrans-61.3-50.8-179.5179.2-134.4000112.3C115 L116 L117 A123 S131 A135 I138 L152 M156 Y159 V160C115-Y119 WeakPolarHBondContact O-CB 3.49Å; C115-Y119 PolarHBondContact O-N 2.87Å; L116-Y119 PolarHBondContact O-N 2.72Å; L117-Y119 PolarHBondContact O-N 3.16Å; Y119-A123 VanDerWaalsContact O-CB 3.31Å; Y119-A123 WeakPolarHBondContact O-CB 3.46Å; Y119-A123 PolarHBondContact O-N 3.43Å; Y119-S131 WeakPolarHBondContact CD2-O 3.38Å; Y119-S131 WeakPolarHBondContact CD2-OG 3.34Å; Y119-S131 VanDerWaalsContact CE2-OG 3.27Å; Y119-S131 WeakPolarHBondContact CE2-OG 3.41Å; Y119-A135 HydrophobicContact CD2-CB 4.06Å; Y119-A135 HydrophobicContact CE2-CB 3.76Å; Y119-I138 HydrophobicContact CD1-CD1 3.68Å; Y119-I138 HydrophobicContact CG-CD1 3.82Å; Y119-L152 HydrophobicContact CD1-CD1 3.82Å; Y119-L152 HydrophobicContact CE1-CD1 3.89Å; Y119-M156 HydrophobicContact CD1-CE 3.52Å; Y119-M156 HydrophobicContact CD2-CE 4.19Å; Y119-M156 HydrophobicContact CE1-CB 3.77Å; Y119-M156 HydrophobicContact CE1-CE 3.39Å; Y119-M156 HydrophobicContact CE1-CG 4.45Å; Y119-M156 HydrophobicContact CE2-CE 4.04Å; Y119-M156 HydrophobicContact CG-CE 3.92Å; Y119-M156 VanDerWaalsContact OH-CA 3.31Å; Y119-M156 WeakPolarHBondContact OH-CA 3.35Å; Y119-M156 WeakPolarHBondContact OH-CB 3.42Å; Y119-M156 PolarHBondContact OH-O 3.29Å; Y119-Y159 HydrophobicContact CE2-CD1 4.31Å; Y119-Y159 WeakPolarHBondContact OH-CD1 3.47Å; Y119-V160 HydrophobicContact CD1-CG2 4.21Å; Y119-V160 HydrophobicContact CE1-CG2 3.48Å; Y119-V160 VanDerWaalsContact CE1-CG2 3.48Å
120H98.1Very high97.2Very high75 Ų7548.1 Ų48.135%0.34726%0.255SS..Hα-helixtrans-60.7-54.9179-179.2-87.5000111.7L116 A122 A123 V124 M156L116-H120 WeakPolarHBondContact O-CB 3.24Å; L116-H120 PolarHBondContact O-N 3.42Å; H120-A122 PolarHBondContact O-N 3.15Å; H120-A123 PolarHBondContact O-N 2.88Å; H120-V124 WeakPolarHBondContact O-CG2 3.11Å; H120-V124 PolarHBondContact O-N 2.78Å; H120-M156 VanDerWaalsContact CA-CE 3.45Å; H120-M156 HydrophobicContact CB-CE 4.2Å
121T98Very high97.3Very high10 Ų1047.4 Ų47.46%0.06125%0.251CS..Hα-helixtrans-65.8-41.2-175.2-54.30000111.5V88 I91 L117 A123 V124 Y125V88-T121 HydrophobicContact CB-CG2 4.47Å; V88-T121 HydrophobicContact CG1-CG2 4.21Å; V88-T121 HydrophobicContact CG2-CG2 4.33Å; I91-T121 HydrophobicContact CB-CG2 4.01Å; I91-T121 HydrophobicContact CD1-CG2 3.87Å; I91-T121 HydrophobicContact CG2-CG2 3.93Å; L117-T121 VanDerWaalsContact O-CB 3.27Å; L117-T121 WeakPolarHBondContact O-CB 3.39Å; L117-T121 PolarHBondContact O-N 3.46Å; L117-T121 PolarHBondContact O-OG1 3.14Å; T121-A123 VanDerWaalsContact C-N 3.35Å; T121-A123 PolarHBondContact O-N 3.2Å; T121-V124 PolarHBondContact O-N 3.24Å; T121-Y125 HydrophobicContact CG2-CD2 3.67Å; T121-Y125 HydrophobicContact CG2-CE2 3.82Å; T121-Y125 WeakPolarHBondContact O-CD2 3.16Å; T121-Y125 PolarHBondContact O-N 3.1Å
122A98.3Very high97.4Very high0 Ų049.5 Ų49.50%026%0.259CS..Hα-helixtrans-64.5-37.6176.400000112.5I91 M118 H120 G126 V127 L130I91-A122 HydrophobicContact CD1-CB 4.45Å; I91-A122 HydrophobicContact CG2-CB 4.44Å; M118-A122 WeakPolarHBondContact O-CB 3.22Å; M118-A122 PolarHBondContact O-N 3.39Å; H120-A122 PolarHBondContact O-N 3.15Å; A122-G126 PolarHBondContact O-N 2.91Å; A122-V127 HydrophobicContact CB-CB 4.26Å; A122-V127 PolarHBondContact O-N 3.39Å; A122-L130 HydrophobicContact CB-CB 4.03Å; A122-L130 HydrophobicContact CB-CD2 3.96Å; A122-L130 HydrophobicContact CB-CG 3.93Å
123A97.8Very high97.5Very high41 Ų4151.8 Ų51.834%0.33927%0.266SS..Hα-helixtrans-65.3-42.7175.100000111.8Y119 H120 T121 G126 M156Y119-A123 VanDerWaalsContact O-CB 3.31Å; Y119-A123 WeakPolarHBondContact O-CB 3.46Å; Y119-A123 PolarHBondContact O-N 3.43Å; H120-A123 PolarHBondContact O-N 2.88Å; T121-A123 VanDerWaalsContact C-N 3.35Å; T121-A123 PolarHBondContact O-N 3.2Å; A123-G126 PolarHBondContact O-N 3.27Å; A123-M156 HydrophobicContact CB-CE 3.72Å; A123-M156 HydrophobicContact CB-SD 4.29Å
124V96.9Very high97.7Very high93 Ų9344.2 Ų44.256%0.56423%0.231SC*.Hα-helixtrans-64-43.2179.3170.50000111.7H120 T121 G126H120-V124 WeakPolarHBondContact O-CG2 3.11Å; H120-V124 PolarHBondContact O-N 2.78Å; T121-V124 PolarHBondContact O-N 3.24Å; V124-G126 VanDerWaalsContact C-N 3.33Å
125Y96.6Very high97.8Very high104 Ų10443.3 Ų43.341%0.40823%0.226SC..THydrogen-bonded Turntrans-86.41-179.9-74.3-71.1000114.3I91 E92 T121 V127I91-Y125 HydrophobicContact CG2-CD2 4.09Å; I91-Y125 HydrophobicContact CG2-CG 4.43Å; E92-Y125 VanDerWaalsContact CD-OH 3.26Å; E92-Y125 HydrophobicContact CG-CD1 4.23Å; E92-Y125 HydrophobicContact CG-CD2 4.06Å; E92-Y125 HydrophobicContact CG-CE1 3.68Å; E92-Y125 HydrophobicContact CG-CE2 3.43Å; E92-Y125 VanDerWaalsContact CG-CE2 3.43Å; E92-Y125 HydrophobicContact CG-CG 4.42Å; E92-Y125 WeakPolarHBondContact CG-OH 3.27Å; E92-Y125 PolarHBondContact OE1-OH 3.26Å; T121-Y125 HydrophobicContact CG2-CD2 3.67Å; T121-Y125 HydrophobicContact CG2-CE2 3.82Å; T121-Y125 WeakPolarHBondContact O-CD2 3.16Å; T121-Y125 PolarHBondContact O-N 3.1Å; Y125-V127 PolarHBondContact O-N 2.94Å
126G96.3Very high97.8Very high60 Ų6044.8 Ų44.862%0.61923%0.233SC*.THydrogen-bonded Turntrans74.819176.300000115.1A122 A123 V124 W128A122-G126 PolarHBondContact O-N 2.91Å; A123-G126 PolarHBondContact O-N 3.27Å; V124-G126 VanDerWaalsContact C-N 3.33Å; G126-W128 VanDerWaalsContact C-N 3.28Å; G126-W128 PolarHBondContact O-N 3.32Å
127V97.6Very high97.8Very high15 Ų1544.6 Ų44.69%0.09123%0.231CC..  trans-82.177.5174.9-171.30000108.9I91 T94 A95 T103 A122 Y125 E129 L130 S131I91-V127 HydrophobicContact CG2-CG2 4.03Å; T94-V127 HydrophobicContact CG2-CG1 3.94Å; T94-V127 HydrophobicContact CG2-CG2 3.78Å; A95-V127 HydrophobicContact CB-CG2 3.71Å; T103-V127 HydrophobicContact CG2-CG1 3.96Å; A122-V127 HydrophobicContact CB-CB 4.26Å; A122-V127 PolarHBondContact O-N 3.39Å; Y125-V127 PolarHBondContact O-N 2.94Å; V127-E129 PolarHBondContact O-N 2.96Å; V127-L130 HydrophobicContact CG1-CB 3.87Å; V127-L130 PolarHBondContact O-N 3.06Å; V127-S131 PolarHBondContact O-N 2.8Å; V127-S131 VanDerWaalsContact O-N 3.07Å
128W97.4Very high97.8Very high147 Ų14741.6 Ų41.656%0.55722%0.216SC*.Hα-helixtrans-58-46-168.5175.1-124.6000114.1G126 L130 S131 H132 Y159G126-W128 VanDerWaalsContact C-N 3.28Å; G126-W128 PolarHBondContact O-N 3.32Å; W128-L130 VanDerWaalsContact C-N 3.35Å; W128-L130 PolarHBondContact O-N 3.28Å; W128-S131 WeakPolarHBondContact O-CB 3.38Å; W128-S131 PolarHBondContact O-N 2.7Å; W128-H132 HydrophobicContact CD2-CB 4.43Å; W128-H132 HydrophobicContact CZ2-CB 4.27Å; W128-H132 WeakPolarHBondContact O-CB 3.44Å; W128-H132 PolarHBondContact O-N 3.04Å; W128-Y159 HydrophobicContact CH2-CD2 4.49Å; W128-Y159 AromaticContact CH2-CE1 3.85Å; W128-Y159 HydrophobicContact CH2-CE1 3.85Å; W128-Y159 AromaticContact CH2-CE2 3.64Å; W128-Y159 HydrophobicContact CH2-CE2 3.64Å; W128-Y159 AromaticContact CH2-CZ 3.26Å; W128-Y159 WeakPolarHBondContact CH2-OH 3.38Å; W128-Y159 HydrophobicContact CZ2-CE2 4.41Å; W128-Y159 AromaticContact CZ2-CZ 3.99Å; W128-Y159 WeakPolarHBondContact CZ2-OH 3.39Å; W128-Y159 HydrophobicContact CZ3-CE1 4.25Å
129E97.4Very high97.7Very high116 Ų11643.7 Ų43.754%0.54222%0.223SC..Hα-helixtrans-57.7-47.4-177.7-66.7-176.2165.300111.7T103 M107 V127 H132 H133T103-E129 HydrophobicContact CG2-CB 4.32Å; M107-E129 HydrophobicContact SD-CB 4.36Å; V127-E129 PolarHBondContact O-N 2.96Å; E129-H132 PolarHBondContact O-N 2.66Å; E129-H133 PolarHBondContact O-N 2.95Å; E129-H133 PolarHBondContact O-ND1 3.23Å
130L98.2Very high97.6Very high0 Ų044.4 Ų44.40%023%0.227CC..Hα-helixtrans-65.9-41.2177.9-179.862.3000111.9I91 T103 M106 M107 I110 M118 A122 V127 W128 H132 H133 S134I91-L130 HydrophobicContact CD1-CD2 3.85Å; I91-L130 HydrophobicContact CG1-CD2 3.72Å; T103-L130 HydrophobicContact CG2-CB 4.2Å; M106-L130 HydrophobicContact CB-CD1 3.84Å; M106-L130 HydrophobicContact CB-CD2 3.93Å; M106-L130 HydrophobicContact CE-CD2 3.74Å; M106-L130 HydrophobicContact SD-CD2 3.94Å; M107-L130 HydrophobicContact CG-CD1 3.72Å; I110-L130 HydrophobicContact CD1-CD1 4.15Å; I110-L130 HydrophobicContact CG1-CD1 4.49Å; M118-L130 HydrophobicContact SD-CD1 4.08Å; A122-L130 HydrophobicContact CB-CB 4.03Å; A122-L130 HydrophobicContact CB-CD2 3.96Å; A122-L130 HydrophobicContact CB-CG 3.93Å; V127-L130 HydrophobicContact CG1-CB 3.87Å; V127-L130 PolarHBondContact O-N 3.06Å; W128-L130 VanDerWaalsContact C-N 3.35Å; W128-L130 PolarHBondContact O-N 3.28Å; L130-H132 VanDerWaalsContact C-N 3.35Å; L130-H133 PolarHBondContact O-N 2.6Å; L130-S134 WeakPolarHBondContact O-CB 3.14Å; L130-S134 PolarHBondContact O-N 2.84Å; L130-S134 PolarHBondContact O-OG 3.42Å
131S98.4Very high97.5Very high3 Ų341.3 Ų41.32%0.02121%0.214CC..Hα-helixtrans-60.6-45.7176.5-172.70000111Y119 V127 W128 S134 A135Y119-S131 WeakPolarHBondContact CD2-O 3.38Å; Y119-S131 WeakPolarHBondContact CD2-OG 3.34Å; Y119-S131 VanDerWaalsContact CE2-OG 3.27Å; Y119-S131 WeakPolarHBondContact CE2-OG 3.41Å; V127-S131 PolarHBondContact O-N 2.8Å; V127-S131 VanDerWaalsContact O-N 3.07Å; W128-S131 WeakPolarHBondContact O-CB 3.38Å; W128-S131 PolarHBondContact O-N 2.7Å; S131-S134 PolarHBondContact O-N 2.76Å; S131-A135 WeakPolarHBondContact O-CB 3.44Å; S131-A135 PolarHBondContact O-N 3.32Å
132H98.1Very high97.3Very high55 Ų5542.8 Ų42.826%0.25522%0.218SC..Hα-helixtrans-61.1-50.2177.2-178.962.8000112W128 E129 L130 S134 A135 L136 Y159W128-H132 HydrophobicContact CD2-CB 4.43Å; W128-H132 HydrophobicContact CZ2-CB 4.27Å; W128-H132 WeakPolarHBondContact O-CB 3.44Å; W128-H132 PolarHBondContact O-N 3.04Å; E129-H132 PolarHBondContact O-N 2.66Å; L130-H132 VanDerWaalsContact C-N 3.35Å; H132-S134 VanDerWaalsContact C-N 3.3Å; H132-S134 PolarHBondContact O-N 3.28Å; H132-A135 WeakPolarHBondContact O-CB 3.49Å; H132-A135 PolarHBondContact O-N 3.36Å; H132-A135 VanDerWaalsContact O-N 3.15Å; H132-L136 WeakPolarHBondContact O-CG 3.4Å; H132-L136 PolarHBondContact O-N 3.23Å; H132-Y159 PolarHBondContact CE1-OH 2.88Å; H132-Y159 AromaticContact ND1-CZ 3.9Å; H132-Y159 PolarHBondContact ND1-OH 2.86Å
133H97.7Very high97Very high84 Ų8447 Ų4739%0.38925%0.253SS..Hα-helixtrans-63.6-36.3179.3-73.978.5000112.3M107 I110 E129 L130 L136 F137M107-H133 HydrophobicContact CG-CB 4.13Å; M107-H133 HydrophobicContact SD-CB 4.09Å; M107-H133 VanDerWaalsContact SD-CE1 3.55Å; M107-H133 VanDerWaalsContact SD-CG 3.52Å; M107-H133 PolarHBondContact SD-ND1 3.44Å; I110-H133 HydrophobicContact CD1-CB 4Å; E129-H133 PolarHBondContact O-N 2.95Å; E129-H133 PolarHBondContact O-ND1 3.23Å; L130-H133 PolarHBondContact O-N 2.6Å; H133-L136 PolarHBondContact O-N 3.5Å; H133-F137 PolarHBondContact O-N 3.26Å
134S98.4Very high96.7Very high0 Ų047.8 Ų47.80%025%0.251CS..Hα-helixtrans-65.2-42.1173.8-55.30000111.4L130 S131 H132 L136 F137 I138L130-S134 WeakPolarHBondContact O-CB 3.14Å; L130-S134 PolarHBondContact O-N 2.84Å; L130-S134 PolarHBondContact O-OG 3.42Å; S131-S134 PolarHBondContact O-N 2.76Å; H132-S134 VanDerWaalsContact C-N 3.3Å; H132-S134 PolarHBondContact O-N 3.28Å; S134-L136 PolarHBondContact O-N 2.95Å; S134-F137 PolarHBondContact O-N 2.99Å; S134-I138 VanDerWaalsContact O-CG1 3.23Å; S134-I138 WeakPolarHBondContact O-CG1 3.31Å; S134-I138 PolarHBondContact O-N 3.45Å
135A98.2Very high96.7Very high0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-62.9-40.617500000112.5Y119 S131 H132 I138 R139 Y159 V160Y119-A135 HydrophobicContact CD2-CB 4.06Å; Y119-A135 HydrophobicContact CE2-CB 3.76Å; S131-A135 WeakPolarHBondContact O-CB 3.44Å; S131-A135 PolarHBondContact O-N 3.32Å; H132-A135 WeakPolarHBondContact O-CB 3.49Å; H132-A135 PolarHBondContact O-N 3.36Å; H132-A135 VanDerWaalsContact O-N 3.15Å; A135-I138 PolarHBondContact O-N 3.25Å; A135-R139 VanDerWaalsContact O-CB 3.32Å; A135-R139 WeakPolarHBondContact O-CB 3.24Å; A135-R139 PolarHBondContact O-N 3Å; A135-Y159 HydrophobicContact CB-CD1 3.9Å; A135-Y159 HydrophobicContact CB-CE1 3.68Å; A135-V160 HydrophobicContact CB-CG2 4.05Å
136L97.6Very high96.5Very high31 Ų3144.2 Ų44.216%0.16223%0.231CC..Hα-helixtrans-61.3-43174.6-69.7-174.9000111.9H132 H133 S134 R139 D140 V163 R453H132-L136 WeakPolarHBondContact O-CG 3.4Å; H132-L136 PolarHBondContact O-N 3.23Å; H133-L136 PolarHBondContact O-N 3.5Å; S134-L136 PolarHBondContact O-N 2.95Å; L136-R139 PolarHBondContact O-N 3.44Å; L136-D140 PolarHBondContact O-N 3.27Å; L136-D140 VanDerWaalsContact O-N 3.1Å; L136-V163 HydrophobicContact CD2-CB 4.03Å; L136-V163 HydrophobicContact CD2-CG1 4.23Å; L136-V163 HydrophobicContact CD2-CG2 4.27Å; L136-R453 PolarHBondContact O-NH2 3.31Å
137F97.6Very high96.4Very high35 Ų3549.5 Ų49.515%0.15424%0.239CC..Hα-helixtrans-63.7-47.7175.4-176.2-82.6000111.7I110 S111 C115 H133 S134 R139 D140 M141I110-F137 HydrophobicContact CG2-CB 3.73Å; I110-F137 HydrophobicContact CG2-CD1 3.9Å; I110-F137 HydrophobicContact CG2-CD2 3.85Å; I110-F137 HydrophobicContact CG2-CE2 4.46Å; I110-F137 HydrophobicContact CG2-CG 3.54Å; S111-F137 VanDerWaalsContact C-CE1 3.48Å; C115-F137 HydrophobicContact CB-CD1 3.64Å; C115-F137 HydrophobicContact CB-CE1 4.08Å; H133-F137 PolarHBondContact O-N 3.26Å; S134-F137 PolarHBondContact O-N 2.99Å; F137-R139 PolarHBondContact O-N 3.47Å; F137-D140 PolarHBondContact O-N 3.05Å; F137-D140 VanDerWaalsContact O-N 3.15Å; F137-M141 HydrophobicContact CD1-CG 4.39Å; F137-M141 HydrophobicContact CE1-CG 3.88Å; F137-M141 HydrophobicContact CZ-CG 4.2Å; F137-M141 PolarHBondContact O-N 3.13Å; F137-M141 VanDerWaalsContact O-N 3.1Å
138I98.2Very high96.3Very high0 Ų052.6 Ų52.60%026%0.256CS..Hα-helixtrans-57.9-41.7176.4-67.4163.2000110C115 L116 Y119 S134 A135 D140 M141 Y142 L145 V149 V160C115-I138 HydrophobicContact CB-CG1 3.96Å; L116-I138 HydrophobicContact CD2-CD1 4.03Å; Y119-I138 HydrophobicContact CD1-CD1 3.68Å; Y119-I138 HydrophobicContact CG-CD1 3.82Å; S134-I138 VanDerWaalsContact O-CG1 3.23Å; S134-I138 WeakPolarHBondContact O-CG1 3.31Å; S134-I138 PolarHBondContact O-N 3.45Å; A135-I138 PolarHBondContact O-N 3.25Å; I138-D140 VanDerWaalsContact C-N 3.32Å; I138-D140 PolarHBondContact O-N 3.33Å; I138-M141 CarbonylContact O-C 3.58Å; I138-M141 VanDerWaalsContact O-C 3.29Å; I138-M141 PolarHBondContact O-N 3.09Å; I138-M141 VanDerWaalsContact O-N 3.14Å; I138-Y142 VanDerWaalsContact O-CA 3.31Å; I138-Y142 WeakPolarHBondContact O-CA 3.06Å; I138-Y142 PolarHBondContact O-N 3.29Å; I138-L145 HydrophobicContact CG1-CD1 4.46Å; I138-L145 HydrophobicContact CG2-CD1 4.37Å; I138-V149 HydrophobicContact CG2-CG2 3.39Å; I138-V160 HydrophobicContact CB-CG1 4.3Å; I138-V160 HydrophobicContact CG2-CG1 3.7Å; I138-V160 HydrophobicContact CG2-CG2 4.4Å
139R96.8Very high96.2Very high43 Ų4345.6 Ų45.616%0.16223%0.229CC..Hα-helixtrans-62.1-39.1178.6-175.756.7155.2173.2-1112.6A135 L136 F137 M141 Y142 V160 E161 V163 P165A135-R139 VanDerWaalsContact O-CB 3.32Å; A135-R139 WeakPolarHBondContact O-CB 3.24Å; A135-R139 PolarHBondContact O-N 3Å; L136-R139 PolarHBondContact O-N 3.44Å; F137-R139 PolarHBondContact O-N 3.47Å; R139-M141 VanDerWaalsContact C-N 3.26Å; R139-M141 PolarHBondContact O-N 3.43Å; R139-Y142 VanDerWaalsContact O-CB 3.24Å; R139-Y142 WeakPolarHBondContact O-CB 3.47Å; R139-Y142 PolarHBondContact O-N 3.06Å; R139-V160 HydrophobicContact CB-CG1 4.44Å; R139-V160 VanDerWaalsContact CD-O 3.28Å; R139-V160 WeakPolarHBondContact CD-O 2.91Å; R139-V160 PolarHBondContact NE-O 3.41Å; R139-E161 PolarHBondContact NH2-O 2.85Å; R139-V163 HydrophobicContact CB-CG2 3.82Å; R139-V163 HydrophobicContact CG-CG2 3.9Å; R139-V163 PolarHBondContact NE-O 3.01Å; R139-V163 PolarHBondContact NH2-O 2.91Å; R139-P165 HydrophobicContact CG-CB 4.12Å
140D96.4Very high95.9Very high20 Ų2045.4 Ų45.411%0.10723%0.228CC..Hα-helixtrans-70.3-25.3176.9-78.6-0.8000113.2L136 F137 I138 S166 R410 R453L136-D140 PolarHBondContact O-N 3.27Å; L136-D140 VanDerWaalsContact O-N 3.1Å; F137-D140 PolarHBondContact O-N 3.05Å; F137-D140 VanDerWaalsContact O-N 3.15Å; I138-D140 VanDerWaalsContact C-N 3.32Å; I138-D140 PolarHBondContact O-N 3.33Å; D140-S166 WeakPolarHBondContact OD1-CB 3.41Å; D140-S166 PolarHBondContact OD1-N 3.11Å; D140-S166 PolarHBondContact OD1-OG 3.18Å; D140-S166 WeakPolarHBondContact OD2-CB 3.47Å; D140-S166 PolarHBondContact OD2-OG 3.4Å; D140-R410 HydrophobicContact CB-CG 3.79Å; D140-R453 IonicContact OD1-CZ 2.72Å; D140-R453 IonicContact OD1-NH1 3.76Å; D140-R453 PolarHBondContact OD1-NH1 2.86Å; D140-R453 IonicContact OD1-NH2 3.47Å; D140-R453 PolarHBondContact OD1-NH2 3.28Å; D140-R453 VanDerWaalsContact OD1-NH2 3.16Å; D140-R453 IonicContact OD2-CZ 3.75Å; D140-R453 IonicContact OD2-NH1 3.27Å; D140-R453 IonicContact OD2-NH2 2.7Å; D140-R453 PolarHBondContact OD2-NH2 3.31Å
141M95.4Very high95.8Very high11 Ų1149.5 Ų49.55%0.05426%0.262CS..THydrogen-bonded Turntrans-100.69.1176.1-73.1-60.3-53.700113.4F137 I138 R139 A143 D144 L145 D412F137-M141 HydrophobicContact CD1-CG 4.39Å; F137-M141 HydrophobicContact CE1-CG 3.88Å; F137-M141 HydrophobicContact CZ-CG 4.2Å; F137-M141 PolarHBondContact O-N 3.13Å; F137-M141 VanDerWaalsContact O-N 3.1Å; I138-M141 CarbonylContact O-C 3.58Å; I138-M141 VanDerWaalsContact O-C 3.29Å; I138-M141 PolarHBondContact O-N 3.09Å; I138-M141 VanDerWaalsContact O-N 3.14Å; R139-M141 VanDerWaalsContact C-N 3.26Å; R139-M141 PolarHBondContact O-N 3.43Å; M141-A143 PolarHBondContact O-N 2.81Å; M141-D144 HydrophobicContact CE-CB 3.82Å; M141-D144 WeakPolarHBondContact CE-OD2 3.38Å; M141-D144 PolarHBondContact O-N 2.79Å; M141-L145 HydrophobicContact CB-CD1 3.64Å; M141-L145 HydrophobicContact CB-CG 4.11Å; M141-L145 PolarHBondContact O-N 2.93Å; M141-L145 VanDerWaalsContact O-N 3.1Å; M141-D412 HydrophobicContact CE-CB 4.35Å; M141-D412 HydrophobicContact SD-CB 4.28Å; M141-D412 PolarHBondContact SD-N 3.21Å
142Y94.4Very high95.6Very high41 Ų4150.6 Ų50.616%0.16127%0.268CS..Hα-helixtrans-58.1-33.9-164.8-173.2-90.2000113.5I138 R139 D144 L145 K146 V149 V160 E161I138-Y142 VanDerWaalsContact O-CA 3.31Å; I138-Y142 WeakPolarHBondContact O-CA 3.06Å; I138-Y142 PolarHBondContact O-N 3.29Å; R139-Y142 VanDerWaalsContact O-CB 3.24Å; R139-Y142 WeakPolarHBondContact O-CB 3.47Å; R139-Y142 PolarHBondContact O-N 3.06Å; Y142-D144 VanDerWaalsContact C-N 3.25Å; Y142-D144 PolarHBondContact O-N 3.42Å; Y142-L145 PolarHBondContact O-N 3.46Å; Y142-K146 HydrophobicContact CE1-CD 4.27Å; Y142-K146 HydrophobicContact CE1-CG 4.07Å; Y142-K146 WeakPolarHBondContact O-CA 3.4Å; Y142-K146 WeakPolarHBondContact O-CB 3.49Å; Y142-K146 PolarHBondContact O-N 3.17Å; Y142-V149 HydrophobicContact CD2-CG2 4.46Å; Y142-V149 HydrophobicContact CE2-CB 4.42Å; Y142-V149 HydrophobicContact CE2-CG1 3.98Å; Y142-V160 HydrophobicContact CD2-CG1 4.08Å; Y142-V160 HydrophobicContact CE2-CG1 4.38Å; Y142-E161 HydrophobicContact CE2-CG 3.86Å; Y142-E161 PolarHBondContact OH-OE1 2.63Å
143A91.4Very high95.5Very high88 Ų8851.1 Ų51.173%0.72728%0.276SS*.Hα-helixtrans-61.7-32.7176.600000113.3M141M141-A143 PolarHBondContact O-N 2.81Å
144D92.8Very high95.5Very high57 Ų5756.5 Ų56.531%0.30529%0.293SS..Hα-helixtrans-93.6-21.3-178.7-63.4-13.3000111.9M141 Y142 R426 K435M141-D144 HydrophobicContact CE-CB 3.82Å; M141-D144 WeakPolarHBondContact CE-OD2 3.38Å; M141-D144 PolarHBondContact O-N 2.79Å; Y142-D144 VanDerWaalsContact C-N 3.25Å; Y142-D144 PolarHBondContact O-N 3.42Å; D144-R426 IonicContact OD1-NH2 2.65Å; D144-R426 PolarHBondContact OD1-NH2 2.94Å; D144-R426 IonicContact OD2-CZ 3.8Å; D144-R426 IonicContact OD2-NE 3.72Å; D144-R426 IonicContact OD2-NH2 3.17Å; D144-R426 PolarHBondContact OD2-NH2 2.76Å; D144-K435 VanDerWaalsContact CG-NZ 3.35Å; D144-K435 IonicContact OD1-NZ 2.7Å; D144-K435 PolarHBondContact OD1-NZ 3.01Å; D144-K435 IonicContact OD2-NZ 3.72Å; D144-K435 PolarHBondContact OD2-NZ 2.74Å; D144-K435 VanDerWaalsContact OD2-NZ 3.07Å
145L95.6Very high95.4Very high15 Ų1564.4 Ų64.48%0.07933%0.33CS..Hα-helixtrans-107.87-176.9-64.5176.6000114.3I138 M141 Y142 E147 D148 V149I138-L145 HydrophobicContact CG1-CD1 4.46Å; I138-L145 HydrophobicContact CG2-CD1 4.37Å; M141-L145 HydrophobicContact CB-CD1 3.64Å; M141-L145 HydrophobicContact CB-CG 4.11Å; M141-L145 PolarHBondContact O-N 2.93Å; M141-L145 VanDerWaalsContact O-N 3.1Å; Y142-L145 PolarHBondContact O-N 3.46Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 2.84Å; L145-D148 PolarHBondContact O-N 3.29Å; L145-D148 VanDerWaalsContact O-N 3.14Å; L145-V149 HydrophobicContact CB-CG2 4.39Å; L145-V149 WeakPolarHBondContact O-CG2 3.39Å; L145-V149 PolarHBondContact O-N 2.95Å
146K93.4Very high95.4Very high107 Ų10765.4 Ų65.447%0.46534%0.335SS..Hα-helixtrans-54.9-43.8-169.9-173176179.2-177.30113.4Y142 V149 H150Y142-K146 HydrophobicContact CE1-CD 4.27Å; Y142-K146 HydrophobicContact CE1-CG 4.07Å; Y142-K146 WeakPolarHBondContact O-CA 3.4Å; Y142-K146 WeakPolarHBondContact O-CB 3.49Å; Y142-K146 PolarHBondContact O-N 3.17Å; K146-V149 PolarHBondContact O-N 3.45Å; K146-H150 WeakPolarHBondContact CE-NE2 3.33Å; K146-H150 PolarHBondContact O-CD2 3.13Å; K146-H150 PolarHBondContact O-N 2.86Å; K146-H150 VanDerWaalsContact O-N 3.15Å
147E94.1Very high95.3Very high171 Ų17164.5 Ų64.580%0.79933%0.331SS*.Hα-helixtrans-64.5-43.9-179.6-65.2-177.3179.200111.4L145 V149 H150 A151L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 2.84Å; E147-V149 VanDerWaalsContact C-N 3.35Å; E147-V149 PolarHBondContact O-N 2.88Å; E147-H150 PolarHBondContact O-N 3.08Å; E147-A151 PolarHBondContact O-N 3.48Å
148D95.1Very high95.3Very high81 Ų8167 Ų6743%0.43334%0.344SS..Hα-helixtrans-67.5-35.6178.4-56.2-53.3000112.1L116 L145 H150 A151L116-D148 HydrophobicContact CD1-CB 3.4Å; L116-D148 HydrophobicContact CD2-CB 4.4Å; L145-D148 PolarHBondContact O-N 3.29Å; L145-D148 VanDerWaalsContact O-N 3.14Å; D148-H150 VanDerWaalsContact C-N 3.29Å; D148-H150 PolarHBondContact O-N 3.49Å; D148-A151 WeakPolarHBondContact O-CB 3.23Å; D148-A151 PolarHBondContact O-N 2.9Å; D148-A151 VanDerWaalsContact O-N 3.1Å
149V94.7Very high95.3Very high0 Ų069.6 Ų69.60%035%0.354CS..Hα-helixtrans-63.9-36.5174.8174.10000111.3L116 I138 Y142 L145 K146 E147 A151 L152 A157 V160L116-V149 HydrophobicContact CD2-CG2 4.46Å; I138-V149 HydrophobicContact CG2-CG2 3.39Å; Y142-V149 HydrophobicContact CD2-CG2 4.46Å; Y142-V149 HydrophobicContact CE2-CB 4.42Å; Y142-V149 HydrophobicContact CE2-CG1 3.98Å; L145-V149 HydrophobicContact CB-CG2 4.39Å; L145-V149 WeakPolarHBondContact O-CG2 3.39Å; L145-V149 PolarHBondContact O-N 2.95Å; K146-V149 PolarHBondContact O-N 3.45Å; E147-V149 VanDerWaalsContact C-N 3.35Å; E147-V149 PolarHBondContact O-N 2.88Å; V149-A151 PolarHBondContact O-N 2.8Å; V149-L152 HydrophobicContact CG1-CD1 4.49Å; V149-L152 WeakPolarHBondContact O-CB 3.43Å; V149-L152 PolarHBondContact O-N 3.48Å; V149-L152 VanDerWaalsContact O-N 3.13Å; V149-A157 HydrophobicContact CG1-CB 4.13Å; V149-V160 HydrophobicContact CG1-CG1 4.48Å
150H92.3Very high95.3Very high111 Ų11167.6 Ų67.651%0.51435%0.346SS..Hα-helixtrans-69-16.8175.3-70.1-46.7000113.5K146 E147 D148 L152K146-H150 WeakPolarHBondContact CE-NE2 3.33Å; K146-H150 PolarHBondContact O-CD2 3.13Å; K146-H150 PolarHBondContact O-N 2.86Å; K146-H150 VanDerWaalsContact O-N 3.15Å; E147-H150 PolarHBondContact O-N 3.08Å; D148-H150 VanDerWaalsContact C-N 3.29Å; D148-H150 PolarHBondContact O-N 3.49Å; H150-L152 VanDerWaalsContact C-N 3.35Å
151A94.4Very high95.2Very high87 Ų8770 Ų7072%0.71936%0.357SS*.THydrogen-bonded Turntrans-81.6-13172.700000113.3E147 D148 V149E147-A151 PolarHBondContact O-N 3.48Å; D148-A151 WeakPolarHBondContact O-CB 3.23Å; D148-A151 PolarHBondContact O-N 2.9Å; D148-A151 VanDerWaalsContact O-N 3.1Å; V149-A151 PolarHBondContact O-N 2.8Å
152L95.3Very high95.2Very high26 Ų2672.4 Ų72.414%0.13638%0.375CS..SBendtrans-72.3158.3176.6-64.8173.6000111.9L116 Y119 V149 H150 R154 M156L116-L152 HydrophobicContact CD2-CD1 3.92Å; L116-L152 HydrophobicContact CD2-CD2 4.38Å; L116-L152 HydrophobicContact CD2-CG 4.32Å; Y119-L152 HydrophobicContact CD1-CD1 3.82Å; Y119-L152 HydrophobicContact CE1-CD1 3.89Å; V149-L152 HydrophobicContact CG1-CD1 4.49Å; V149-L152 WeakPolarHBondContact O-CB 3.43Å; V149-L152 PolarHBondContact O-N 3.48Å; V149-L152 VanDerWaalsContact O-N 3.13Å; H150-L152 VanDerWaalsContact C-N 3.35Å; L152-R154 PolarHBondContact O-N 2.65Å; L152-M156 HydrophobicContact CB-CB 4.41Å
153P96.8Very high95.2Very high66 Ų6671.2 Ų71.243%0.42937%0.372SS..  trans-51.5138.5168.1-26.435.1000111.7Q155 M156 A157P153-Q155 VanDerWaalsContact C-N 3.29Å; P153-Q155 PolarHBondContact O-N 3.02Å; P153-Q155 VanDerWaalsContact O-N 3.12Å; P153-M156 HydrophobicContact CB-CG 4.36Å; P153-M156 HydrophobicContact CB-SD 4.31Å; P153-M156 HydrophobicContact CG-SD 3.96Å; P153-M156 WeakPolarHBondContact O-CA 3.34Å; P153-M156 WeakPolarHBondContact O-CB 3.39Å; P153-M156 PolarHBondContact O-N 2.76Å; P153-A157 PolarHBondContact O-N 2.71Å; P153-A157 VanDerWaalsContact O-N 3.1Å
154R96.4Very high95.3Very high196 Ų19668.2 Ų68.274%0.7435%0.345SS*.Hα-helixtrans-49.4-45.4-172.3-178.9176.8172.2177.9-0.4114L152 M156 A157 E158L152-R154 PolarHBondContact O-N 2.65Å; R154-M156 VanDerWaalsContact C-N 3.27Å; R154-M156 PolarHBondContact O-N 3.07Å; R154-A157 PolarHBondContact O-N 2.82Å; R154-E158 HydrophobicContact CG-CG 4.33Å; R154-E158 WeakPolarHBondContact CG-OE1 3.14Å; R154-E158 IonicContact CZ-OE1 3.42Å; R154-E158 IonicContact NE-OE1 2.75Å; R154-E158 PolarHBondContact NE-OE1 2.8Å; R154-E158 IonicContact NH2-OE1 3.2Å; R154-E158 PolarHBondContact NH2-OE1 3.21Å; R154-E158 WeakPolarHBondContact O-CB 3.36Å; R154-E158 VanDerWaalsContact O-CG 3.32Å; R154-E158 WeakPolarHBondContact O-CG 3.37Å; R154-E158 PolarHBondContact O-N 2.78Å
155Q96.5Very high95.4Very high166 Ų16668.2 Ų68.278%0.77635%0.348SS*.Hα-helixtrans-61.8-35.3179.9-68177.6-9.300112.6P153 Y159P153-Q155 VanDerWaalsContact C-N 3.29Å; P153-Q155 PolarHBondContact O-N 3.02Å; P153-Q155 VanDerWaalsContact O-N 3.12Å; Q155-Y159 WeakPolarHBondContact O-CB 3.13Å; Q155-Y159 PolarHBondContact O-N 3.41Å
156M97.4Very high95.4Very high22 Ų2267.9 Ų67.911%0.10835%0.347CS..Hα-helixtrans-73.5-43.7178.2-67.2-177.27000111.4Y119 H120 A123 L152 P153 R154 Y159 V160Y119-M156 HydrophobicContact CD1-CE 3.52Å; Y119-M156 HydrophobicContact CD2-CE 4.19Å; Y119-M156 HydrophobicContact CE1-CB 3.77Å; Y119-M156 HydrophobicContact CE1-CE 3.39Å; Y119-M156 HydrophobicContact CE1-CG 4.45Å; Y119-M156 HydrophobicContact CE2-CE 4.04Å; Y119-M156 HydrophobicContact CG-CE 3.92Å; Y119-M156 VanDerWaalsContact OH-CA 3.31Å; Y119-M156 WeakPolarHBondContact OH-CA 3.35Å; Y119-M156 WeakPolarHBondContact OH-CB 3.42Å; Y119-M156 PolarHBondContact OH-O 3.29Å; H120-M156 VanDerWaalsContact CA-CE 3.45Å; H120-M156 HydrophobicContact CB-CE 4.2Å; A123-M156 HydrophobicContact CB-CE 3.72Å; A123-M156 HydrophobicContact CB-SD 4.29Å; L152-M156 HydrophobicContact CB-CB 4.41Å; P153-M156 HydrophobicContact CB-CG 4.36Å; P153-M156 HydrophobicContact CB-SD 4.31Å; P153-M156 HydrophobicContact CG-SD 3.96Å; P153-M156 WeakPolarHBondContact O-CA 3.34Å; P153-M156 WeakPolarHBondContact O-CB 3.39Å; P153-M156 PolarHBondContact O-N 2.76Å; R154-M156 VanDerWaalsContact C-N 3.27Å; R154-M156 PolarHBondContact O-N 3.07Å; M156-Y159 WeakPolarHBondContact O-CB 3.43Å; M156-Y159 PolarHBondContact O-N 3.23Å; M156-V160 WeakPolarHBondContact O-CG2 3.41Å; M156-V160 PolarHBondContact O-N 3.02Å
157A97.3Very high95.5Very high11 Ų1163.7 Ų63.79%0.09133%0.332CS..Hα-helixtrans-60.6-45.9174.600000111.5V149 P153 R154 Y159 V160 E161V149-A157 HydrophobicContact CG1-CB 4.13Å; P153-A157 PolarHBondContact O-N 2.71Å; P153-A157 VanDerWaalsContact O-N 3.1Å; R154-A157 PolarHBondContact O-N 2.82Å; A157-Y159 VanDerWaalsContact C-N 3.26Å; A157-Y159 PolarHBondContact O-N 2.71Å; A157-V160 PolarHBondContact O-N 2.92Å; A157-E161 WeakPolarHBondContact O-CG 3.44Å; A157-E161 PolarHBondContact O-N 3.13Å
158E96.7Very high95.7Very high89 Ų8955.7 Ų55.742%0.41629%0.294SS..Hα-helixtrans-58.8-38.4174.9-74.8173.9175.800111.5R154 E161 S162R154-E158 HydrophobicContact CG-CG 4.33Å; R154-E158 WeakPolarHBondContact CG-OE1 3.14Å; R154-E158 IonicContact CZ-OE1 3.42Å; R154-E158 IonicContact NE-OE1 2.75Å; R154-E158 PolarHBondContact NE-OE1 2.8Å; R154-E158 IonicContact NH2-OE1 3.2Å; R154-E158 PolarHBondContact NH2-OE1 3.21Å; R154-E158 WeakPolarHBondContact O-CB 3.36Å; R154-E158 VanDerWaalsContact O-CG 3.32Å; R154-E158 WeakPolarHBondContact O-CG 3.37Å; R154-E158 PolarHBondContact O-N 2.78Å; E158-E161 PolarHBondContact O-N 2.83Å; E158-S162 WeakPolarHBondContact O-CB 3.44Å; E158-S162 PolarHBondContact O-N 3.43Å
159Y97.4Very high95.8Very high54 Ų5451.8 Ų51.821%0.21227%0.274CS..Hα-helixtrans-65-46.8176-178.3-101.8000112.8Y119 W128 H132 A135 Q155 M156 A157 E161 S162 V163Y119-Y159 HydrophobicContact CE2-CD1 4.31Å; Y119-Y159 WeakPolarHBondContact OH-CD1 3.47Å; W128-Y159 HydrophobicContact CH2-CD2 4.49Å; W128-Y159 AromaticContact CH2-CE1 3.85Å; W128-Y159 HydrophobicContact CH2-CE1 3.85Å; W128-Y159 AromaticContact CH2-CE2 3.64Å; W128-Y159 HydrophobicContact CH2-CE2 3.64Å; W128-Y159 AromaticContact CH2-CZ 3.26Å; W128-Y159 WeakPolarHBondContact CH2-OH 3.38Å; W128-Y159 HydrophobicContact CZ2-CE2 4.41Å; W128-Y159 AromaticContact CZ2-CZ 3.99Å; W128-Y159 WeakPolarHBondContact CZ2-OH 3.39Å; W128-Y159 HydrophobicContact CZ3-CE1 4.25Å; H132-Y159 PolarHBondContact CE1-OH 2.88Å; H132-Y159 AromaticContact ND1-CZ 3.9Å; H132-Y159 PolarHBondContact ND1-OH 2.86Å; A135-Y159 HydrophobicContact CB-CD1 3.9Å; A135-Y159 HydrophobicContact CB-CE1 3.68Å; Q155-Y159 WeakPolarHBondContact O-CB 3.13Å; Q155-Y159 PolarHBondContact O-N 3.41Å; M156-Y159 WeakPolarHBondContact O-CB 3.43Å; M156-Y159 PolarHBondContact O-N 3.23Å; A157-Y159 VanDerWaalsContact C-N 3.26Å; A157-Y159 PolarHBondContact O-N 2.71Å; Y159-E161 PolarHBondContact O-N 2.85Å; Y159-S162 WeakPolarHBondContact O-CA 3.38Å; Y159-S162 WeakPolarHBondContact O-CB 3.16Å; Y159-S162 PolarHBondContact O-N 3.02Å; Y159-S162 PolarHBondContact O-OG 3.18Å; Y159-V163 HydrophobicContact CE1-CG1 4.22Å; Y159-V163 HydrophobicContact CE2-CG1 4.42Å; Y159-V163 PolarHBondContact O-N 2.7Å
160V97.3Very high95.8Very high0 Ų051.8 Ų51.80%027%0.274CS..Hα-helixtrans-58.4-38.3175.2172.10000110.9Y119 A135 I138 R139 Y142 V149 M156 A157 S162 V163Y119-V160 HydrophobicContact CD1-CG2 4.21Å; Y119-V160 HydrophobicContact CE1-CG2 3.48Å; Y119-V160 VanDerWaalsContact CE1-CG2 3.48Å; A135-V160 HydrophobicContact CB-CG2 4.05Å; I138-V160 HydrophobicContact CB-CG1 4.3Å; I138-V160 HydrophobicContact CG2-CG1 3.7Å; I138-V160 HydrophobicContact CG2-CG2 4.4Å; R139-V160 HydrophobicContact CB-CG1 4.44Å; R139-V160 VanDerWaalsContact CD-O 3.28Å; R139-V160 WeakPolarHBondContact CD-O 2.91Å; R139-V160 PolarHBondContact NE-O 3.41Å; Y142-V160 HydrophobicContact CD2-CG1 4.08Å; Y142-V160 HydrophobicContact CE2-CG1 4.38Å; V149-V160 HydrophobicContact CG1-CG1 4.48Å; M156-V160 WeakPolarHBondContact O-CG2 3.41Å; M156-V160 PolarHBondContact O-N 3.02Å; A157-V160 PolarHBondContact O-N 2.92Å; V160-S162 VanDerWaalsContact C-N 3.33Å; V160-V163 WeakPolarHBondContact O-CG2 3.13Å
161E94.9Very high95.9Very high70 Ų7046.5 Ų46.533%0.32725%0.249SC..Hα-helixtrans-73.8-26.1176.5-69.3175.9-173.900113R139 Y142 A157 E158 Y159 K456R139-E161 PolarHBondContact NH2-O 2.85Å; Y142-E161 HydrophobicContact CE2-CG 3.86Å; Y142-E161 PolarHBondContact OH-OE1 2.63Å; A157-E161 WeakPolarHBondContact O-CG 3.44Å; A157-E161 PolarHBondContact O-N 3.13Å; E158-E161 PolarHBondContact O-N 2.83Å; Y159-E161 PolarHBondContact O-N 2.85Å; E161-K456 PolarHBondContact O-NZ 2.86Å
162S94.8Very high95.6Very high62 Ų6242.4 Ų42.443%0.43422%0.215SC..Hα-helixtrans-69.6-32.4177.883.50000112.7E158 Y159 V160 K456E158-S162 WeakPolarHBondContact O-CB 3.44Å; E158-S162 PolarHBondContact O-N 3.43Å; Y159-S162 WeakPolarHBondContact O-CA 3.38Å; Y159-S162 WeakPolarHBondContact O-CB 3.16Å; Y159-S162 PolarHBondContact O-N 3.02Å; Y159-S162 PolarHBondContact O-OG 3.18Å; V160-S162 VanDerWaalsContact C-N 3.33Å; S162-K456 VanDerWaalsContact O-CE 3.24Å; S162-K456 WeakPolarHBondContact O-CE 3.1Å; S162-K456 PolarHBondContact O-NZ 2.98Å
163V94.9Very high95.1Very high17 Ų1742 Ų4210%0.10322%0.215CC..SBendtrans-76.3148178.8-65.50000112.2L136 R139 Y159 V160L136-V163 HydrophobicContact CD2-CB 4.03Å; L136-V163 HydrophobicContact CD2-CG1 4.23Å; L136-V163 HydrophobicContact CD2-CG2 4.27Å; R139-V163 HydrophobicContact CB-CG2 3.82Å; R139-V163 HydrophobicContact CG-CG2 3.9Å; R139-V163 PolarHBondContact NE-O 3.01Å; R139-V163 PolarHBondContact NH2-O 2.91Å; Y159-V163 HydrophobicContact CE1-CG1 4.22Å; Y159-V163 HydrophobicContact CE2-CG1 4.42Å; Y159-V163 PolarHBondContact O-N 2.7Å; V160-V163 WeakPolarHBondContact O-CG2 3.13Å
164S93.2Very high94.1Very high24 Ų2439.6 Ų39.617%0.16820%0.197CC..PPolyproline II helixtrans-78.5136177.4-690000111.3R453 L454S164-R453 WeakPolarHBondContact O-CD 3.24Å; S164-R453 PolarHBondContact O-NH1 3.3Å; S164-L454 WeakPolarHBondContact CB-O 3.25Å; S164-L454 PolarHBondContact OG-O 3.03Å
165P94.3Very high92.3Very high57 Ų5734.1 Ų34.137%0.3719%0.189SC..PPolyproline II helixtrans-68.5158.2170.531.1-34.9000111.8R139 R453R139-P165 HydrophobicContact CG-CB 4.12Å; P165-R453 VanDerWaalsContact C-NH1 3.26Å; P165-R453 VanDerWaalsContact CA-NH1 3.34Å
166S95.7Very high90.4Very high8 Ų828.4 Ų28.46%0.05617%0.166CC..EExtended strand (participates in β ladder)trans-74.5124.8172.2-61.50000109.4D140 R410 R453D140-S166 WeakPolarHBondContact OD1-CB 3.41Å; D140-S166 PolarHBondContact OD1-N 3.11Å; D140-S166 PolarHBondContact OD1-OG 3.18Å; D140-S166 WeakPolarHBondContact OD2-CB 3.47Å; D140-S166 PolarHBondContact OD2-OG 3.4Å; S166-R410 WeakPolarHBondContact O-CD 3.34Å; S166-R410 PolarHBondContact O-NH1 3.11Å; S166-R453 PolarHBondContact OG-NH1 3.07Å; S166-R453 PolarHBondContact OG-NH2 2.88Å
167S95.9Very high88.3Confident20 Ų2030.6 Ų30.614%0.1418%0.184CC..EExtended strand (participates in β ladder)trans-88.7141.3173.6-58.70000110.2M169 Q451 M452S167-M169 WeakPolarHBondContact O-CG 3.43Å; S167-Q451 WeakPolarHBondContact O-CA 3.49Å; S167-M452 PolarHBondContact N-O 3.36Å; S167-M452 PolarHBondContact O-N 3.29Å
168Y97.4Very high86Confident2 Ų236.2 Ų36.21%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-78.4123.8170.6-175.6-127000109.5Y190 L191 W198 T406 V408 F415 L417 T422 T449Y168-Y190 CarbonylContact O-C 3.57Å; Y168-Y190 WeakPolarHBondContact O-CA 3.17Å; Y168-L191 HydrophobicContact CD1-CD2 4.27Å; Y168-L191 PolarHBondContact O-N 3.37Å; Y168-W198 AromaticContact CD1-CH2 3.56Å; Y168-W198 HydrophobicContact CD1-CH2 3.56Å; Y168-W198 AromaticContact CD1-CZ2 3.8Å; Y168-W198 HydrophobicContact CD1-CZ2 3.8Å; Y168-W198 AromaticContact CE1-CH2 3.84Å; Y168-W198 HydrophobicContact CE1-CH2 3.84Å; Y168-W198 AromaticContact CE1-CZ2 3.89Å; Y168-W198 HydrophobicContact CE1-CZ2 3.89Å; Y168-W198 HydrophobicContact CG-CH2 4.39Å; Y168-T406 PolarHBondContact OH-O 3.05Å; Y168-V408 HydrophobicContact CD2-CB 4.21Å; Y168-V408 HydrophobicContact CD2-CG2 4.45Å; Y168-V408 HydrophobicContact CE2-CB 3.76Å; Y168-V408 HydrophobicContact CE2-CG2 3.7Å; Y168-F415 HydrophobicContact CD1-CB 3.95Å; Y168-F415 HydrophobicContact CD1-CD1 4.19Å; Y168-F415 HydrophobicContact CD1-CG 4.38Å; Y168-F415 HydrophobicContact CD2-CB 3.71Å; Y168-F415 HydrophobicContact CD2-CG 4.34Å; Y168-F415 HydrophobicContact CE1-CB 3.87Å; Y168-F415 HydrophobicContact CE2-CB 3.64Å; Y168-F415 HydrophobicContact CG-CB 3.85Å; Y168-F415 HydrophobicContact CG-CD1 4.24Å; Y168-F415 HydrophobicContact CG-CG 4.15Å; Y168-F415 PolarHBondContact OH-O 3.28Å; Y168-L417 HydrophobicContact CE1-CB 4.04Å; Y168-L417 HydrophobicContact CE1-CD2 4.48Å; Y168-L417 WeakPolarHBondContact OH-CB 3.49Å; Y168-L417 PolarHBondContact OH-N 3.29Å; Y168-T422 HydrophobicContact CD1-CG2 4.15Å; Y168-T422 HydrophobicContact CE1-CG2 3.94Å; Y168-T449 HydrophobicContact CE2-CG2 4.29Å; Y168-T449 WeakPolarHBondContact OH-CG2 3.15Å
169M97.1Very high83.8Confident0 Ų038.3 Ų38.30%023%0.233CC..EExtended strand (participates in β ladder)trans-116.7151.8-168.9-55.2-72.2-79.600110.8S167 V188 C189 Y190 L201 T449 F450 M452 L454S167-M169 WeakPolarHBondContact O-CG 3.43Å; M169-V188 HydrophobicContact CE-CG1 3.82Å; M169-C189 CarbonylContact C-O 3.46Å; M169-C189 VanDerWaalsContact CA-O 3.29Å; M169-C189 WeakPolarHBondContact CA-O 3.42Å; M169-Y190 WeakPolarHBondContact SD-CB 3.47Å; M169-L201 HydrophobicContact CE-CD2 3.36Å; M169-T449 VanDerWaalsContact O-CA 3.28Å; M169-T449 WeakPolarHBondContact O-CA 2.98Å; M169-F450 HydrophobicContact CB-CD2 3.43Å; M169-F450 VanDerWaalsContact CB-CD2 3.43Å; M169-F450 HydrophobicContact CB-CE2 3.25Å; M169-F450 HydrophobicContact CB-CG 4.16Å; M169-F450 HydrophobicContact CB-CZ 3.84Å; M169-F450 WeakPolarHBondContact CB-O 3.22Å; M169-F450 HydrophobicContact CE-CE2 4.3Å; M169-F450 HydrophobicContact CG-CD2 3.91Å; M169-F450 HydrophobicContact CG-CE2 3.8Å; M169-F450 PolarHBondContact N-O 3Å; M169-F450 PolarHBondContact O-N 3.45Å; M169-F450 VanDerWaalsContact O-N 3.16Å; M169-M452 HydrophobicContact CE-CB 4.26Å; M169-M452 HydrophobicContact CE-CG 4.44Å; M169-M452 HydrophobicContact CE-SD 3.86Å; M169-M452 HydrophobicContact CG-CB 4.02Å; M169-M452 HydrophobicContact CG-CG 4.2Å; M169-M452 HydrophobicContact SD-CB 4.41Å; M169-L454 HydrophobicContact CE-CD2 4.18Å; M169-L454 HydrophobicContact SD-CD2 4.48Å
170A95.7Very high81.6Confident0 Ų043.4 Ų43.40%026%0.263CS..EExtended strand (participates in β ladder)trans-142.8141.5176.300000113C189 W198 L417 F441 I447 Y448 T449A170-C189 PolarHBondContact N-O 3.16Å; A170-C189 PolarHBondContact O-N 3.49Å; A170-W198 HydrophobicContact CB-CE3 4.28Å; A170-W198 HydrophobicContact CB-CH2 3.65Å; A170-W198 HydrophobicContact CB-CZ3 3.5Å; A170-W198 VanDerWaalsContact CB-CZ3 3.5Å; A170-L417 HydrophobicContact CB-CD2 3.64Å; A170-F441 HydrophobicContact CB-CD2 4.33Å; A170-F441 HydrophobicContact CB-CE1 4.21Å; A170-F441 HydrophobicContact CB-CE2 3.86Å; A170-F441 HydrophobicContact CB-CZ 3.79Å; A170-I447 HydrophobicContact CB-CG2 3.95Å; A170-Y448 CarbonylContact C-O 3.53Å; A170-Y448 VanDerWaalsContact CA-O 3.28Å; A170-Y448 WeakPolarHBondContact CA-O 3.45Å; A170-T449 HydrophobicContact CB-CG2 4.32Å
171V93.7Very high79.1Confident0 Ų049.2 Ų49.20%029%0.293CS..EExtended strand (participates in β ladder)trans-129.5126.8170.31780000108.6V188 L204 T210 L222 Y448 F450V171-V188 HydrophobicContact CG2-CB 4.17Å; V171-V188 HydrophobicContact CG2-CG1 3.97Å; V171-V188 HydrophobicContact CG2-CG2 3.87Å; V171-L204 HydrophobicContact CG1-CD1 4.43Å; V171-T210 HydrophobicContact CG1-CG2 3.51Å; V171-L222 HydrophobicContact CG2-CD2 4.45Å; V171-Y448 PolarHBondContact N-O 2.97Å; V171-Y448 PolarHBondContact O-N 3.03Å; V171-F450 HydrophobicContact CB-CE1 4.33Å; V171-F450 HydrophobicContact CG2-CE1 3.73Å; V171-F450 HydrophobicContact CG2-CZ 3.71Å
172C89.3Confident77Confident0 Ų054.3 Ų54.30%032%0.316CS..EExtended strand (participates in β ladder)trans-86.4141.8177.7-1580000110.6T210 F441 V444C172-T210 PolarHBondContact O-OG1 3.46Å; C172-F441 HydrophobicContact CB-CE1 3.94Å; C172-V444 PolarHBondContact SG-O 3.28Å
173S84.4Confident75.4Confident19 Ų1953.6 Ų53.613%0.13331%0.308CS..PPolyproline II helixtrans-61.9135.3158.766.80000108.8T210 S446S173-T210 WeakPolarHBondContact CA-OG1 3.24Å; S173-S446 PolarHBondContact N-O 2.79Å; S173-S446 PolarHBondContact OG-N 3.41Å; S173-S446 PolarHBondContact OG-O 3.15Å
174H75.3Confident73.9Confident14 Ų1458.3 Ų58.37%0.06534%0.336CS..PPolyproline II helixtrans-100.8141174.756.5-90.4000110.7R186 T210 T211H174-R186 PolarHBondContact CE1-NH1 2.93Å; H174-R186 PolarHBondContact NE2-NH1 3.43Å; H174-T210 PolarHBondContact CE1-N 3.21Å; H174-T210 VanDerWaalsContact CE1-N 3.26Å; H174-T210 PolarHBondContact N-OG1 2.57Å; H174-T210 PolarHBondContact ND1-OG1 2.78Å; H174-T211 PolarHBondContact O-OG1 3.39Å
175S59.3Low72.8Confident82 Ų8259.8 Ų59.857%0.57334%0.341SS*.PPolyproline II helixtrans-60.2133.4174.6-63.20000110.1S177S175-S177 PolarHBondContact O-N 2.91Å
176P56.3Low72.5Confident45 Ų4559.2 Ų59.229%0.29233%0.331SS..  trans-68.482.7169.424.4-28.6000108.8V231P176-V231 HydrophobicContact CB-CG1 4.26Å; P176-V231 HydrophobicContact CG-CG1 3.89Å
177S52.6Low72.3Confident69 Ų6959.2 Ų59.248%0.48333%0.331SS..  trans-97.4136.2169.558.10000109.4S175 E179S175-S177 PolarHBondContact O-N 2.91Å; S177-E179 PolarHBondContact O-N 3.46Å; S177-E179 VanDerWaalsContact O-N 3.13Å
178S49.5Very low72.2Confident128 Ų12858.3 Ų58.390%0.89532%0.324SS*.SBendtrans-63.2-12.4178.146.60000114.2
179E49.9Very low72.2Confident134 Ų13458.3 Ų58.363%0.62633%0.325SS*.SBendtrans-97.1121.6-180-65.8-178.4179.800110.5S177 L181S177-E179 PolarHBondContact O-N 3.46Å; S177-E179 VanDerWaalsContact O-N 3.13Å; E179-L181 HydrophobicContact CB-CG 4.41Å; E179-L181 PolarHBondContact O-N 2.81Å
180L51.8Low72.1Confident161 Ų16160.3 Ų60.384%0.84333%0.333SS*.  trans-65.551171.3-90.4140.9000111.8H182L180-H182 PolarHBondContact O-N 2.86Å
181L46Very low72.1Confident121 Ų12160.5 Ų60.563%0.63433%0.333SS*.  trans-66.8132.4166.8-69.9167.5000107E179 N183E179-L181 HydrophobicContact CB-CG 4.41Å; E179-L181 PolarHBondContact O-N 2.81Å; L181-N183 WeakPolarHBondContact O-CB 3.3Å; L181-N183 PolarHBondContact O-N 2.82Å
182H50.2Low72.2Confident178 Ų17861.5 Ų61.582%0.82434%0.339SS*.  trans-54.584.1164-91.9-83.5000107.9L180 V184L180-H182 PolarHBondContact O-N 2.86Å; H182-V184 PolarHBondContact O-N 3.33Å
183N60.1Low72.3Confident46 Ų4663.5 Ų63.525%0.24635%0.348CS..  trans-81.4111.4-167.9-173-13.9000106.4L181 Q185 R186L181-N183 WeakPolarHBondContact O-CB 3.3Å; L181-N183 PolarHBondContact O-N 2.82Å; N183-Q185 PolarHBondContact ND2-OE1 3.35Å; N183-Q185 PolarHBondContact O-N 3.26Å; N183-Q185 WeakPolarHBondContact OD1-CB 3.11Å; N183-Q185 WeakPolarHBondContact OD1-CG 3.37Å; N183-Q185 PolarHBondContact OD1-N 2.82Å; N183-Q185 PolarHBondContact OD1-OE1 3.47Å; N183-R186 HydrophobicContact CB-CG 4.22Å; N183-R186 PolarHBondContact O-N 3.28Å
184V64.4Low72.6Confident116 Ų11670.7 Ų70.770%0.70338%0.38SS*.THydrogen-bonded Turntrans-49.3-18.9173.9-177.10000111.8H182 R443H182-V184 PolarHBondContact O-N 3.33Å; V184-R443 PolarHBondContact O-NH1 3.41Å; V184-R443 PolarHBondContact O-NH2 2.67Å; V184-R443 VanDerWaalsContact O-NH2 3.14Å
185Q70.4Confident73.5Confident56 Ų5675 Ų7526%0.26240%0.4SS..THydrogen-bonded Turntrans-75.6-17.9175.8-59169.9-13.400114.6N183 T187 R443N183-Q185 PolarHBondContact ND2-OE1 3.35Å; N183-Q185 PolarHBondContact O-N 3.26Å; N183-Q185 WeakPolarHBondContact OD1-CB 3.11Å; N183-Q185 WeakPolarHBondContact OD1-CG 3.37Å; N183-Q185 PolarHBondContact OD1-N 2.82Å; N183-Q185 PolarHBondContact OD1-OE1 3.47Å; Q185-T187 PolarHBondContact O-N 2.94Å; Q185-R443 PolarHBondContact O-NH1 2.88Å
186R86.6Confident75.2Confident44 Ų4477.5 Ų77.517%0.16640%0.396CS..SBendtrans-83.353.1-178.6-66.8-175.871.795.12112.1H174 N183 L204 P205 L206 T208H174-R186 PolarHBondContact CE1-NH1 2.93Å; H174-R186 PolarHBondContact NE2-NH1 3.43Å; N183-R186 HydrophobicContact CB-CG 4.22Å; N183-R186 PolarHBondContact O-N 3.28Å; R186-L204 HydrophobicContact CB-CB 4.32Å; R186-L204 HydrophobicContact CB-CD1 4.26Å; R186-L204 PolarHBondContact O-N 3.21Å; R186-P205 PolarHBondContact NH2-O 3.12Å; R186-L206 PolarHBondContact NH2-O 3.15Å; R186-L206 VanDerWaalsContact NH2-O 3.14Å; R186-T208 PolarHBondContact NH1-O 3.17Å; R186-T208 PolarHBondContact NH2-O 3.47Å
187T92.1Very high77Confident9 Ų980.9 Ų80.96%0.05541%0.407CS..EExtended strand (participates in β ladder)trans-133.9146.2-17967.70000111.4Q185 C189 T200 T202 Q203 R443Q185-T187 PolarHBondContact O-N 2.94Å; T187-C189 PolarHBondContact OG1-SG 3.28Å; T187-T200 HydrophobicContact CG2-CG2 3.9Å; T187-T202 VanDerWaalsContact CA-O 3.31Å; T187-T202 WeakPolarHBondContact CA-O 3.42Å; T187-T202 WeakPolarHBondContact CB-O 3.28Å; T187-Q203 HydrophobicContact CG2-CG 4.33Å; T187-R443 VanDerWaalsContact OG1-CZ 3.31Å; T187-R443 PolarHBondContact OG1-NH1 3.44Å; T187-R443 PolarHBondContact OG1-NH2 3.1Å
188V95.1Very high79.1Confident0 Ų079.3 Ų79.30%039%0.39CS..EExtended strand (participates in β ladder)trans-84.4131.8162.3-174.10000107.2M169 V171 L201 T202 L204 L222 W249 F450M169-V188 HydrophobicContact CE-CG1 3.82Å; V171-V188 HydrophobicContact CG2-CB 4.17Å; V171-V188 HydrophobicContact CG2-CG1 3.97Å; V171-V188 HydrophobicContact CG2-CG2 3.87Å; V188-L201 HydrophobicContact CG1-CD2 4.44Å; V188-L201 WeakPolarHBondContact O-CB 3.43Å; V188-L201 PolarHBondContact O-N 2.55Å; V188-T202 HydrophobicContact CB-CG2 3.9Å; V188-T202 HydrophobicContact CG2-CG2 3.85Å; V188-T202 PolarHBondContact N-O 2.91Å; V188-T202 PolarHBondContact O-N 2.72Å; V188-L204 HydrophobicContact CG2-CD2 3.82Å; V188-L222 HydrophobicContact CG1-CD2 4.12Å; V188-L222 HydrophobicContact CG2-CD2 3.78Å; V188-W249 HydrophobicContact CG2-CH2 4.21Å; V188-W249 HydrophobicContact CG2-CZ2 3.78Å; V188-F450 HydrophobicContact CG1-CZ 4.21Å
189C95.5Very high81.2Confident3 Ų378.2 Ų78.22%0.0237%0.366CS..EExtended strand (participates in β ladder)trans-123.2152.7-178-53.30000110.9M169 A170 T187 W198 R199 F441 R443M169-C189 CarbonylContact C-O 3.46Å; M169-C189 VanDerWaalsContact CA-O 3.29Å; M169-C189 WeakPolarHBondContact CA-O 3.42Å; A170-C189 PolarHBondContact N-O 3.16Å; A170-C189 PolarHBondContact O-N 3.49Å; T187-C189 PolarHBondContact OG1-SG 3.28Å; C189-W198 HydrophobicContact CB-CE3 3.9Å; C189-W198 HydrophobicContact CB-CZ3 4.44Å; C189-R199 CarbonylContact C-O 3.54Å; C189-R199 WeakPolarHBondContact CA-O 3.36Å; C189-R199 VanDerWaalsContact CB-O 3.3Å; C189-R199 WeakPolarHBondContact CB-O 3.36Å; C189-F441 HydrophobicContact CB-CE2 3.72Å; C189-F441 HydrophobicContact CB-CZ 4.23Å; C189-R443 PolarHBondContact SG-NH2 2.91Å
190Y96.4Very high83.3Confident42 Ų4275.6 Ų75.617%0.16536%0.36CS..EExtended strand (participates in β ladder)trans-124.6152.617272.2-86.9000110.6Y168 M169 D192 W198 R199 L201 L454Y168-Y190 CarbonylContact O-C 3.57Å; Y168-Y190 WeakPolarHBondContact O-CA 3.17Å; M169-Y190 WeakPolarHBondContact SD-CB 3.47Å; Y190-D192 HydrophobicContact CE2-CB 4.22Å; Y190-W198 VanDerWaalsContact C-CE3 3.48Å; Y190-R199 HydrophobicContact CD1-CB 4.09Å; Y190-R199 HydrophobicContact CE1-CB 3.62Å; Y190-R199 HydrophobicContact CE2-CB 4.15Å; Y190-R199 PolarHBondContact N-O 3.44Å; Y190-R199 PolarHBondContact O-N 2.82Å; Y190-R199 WeakPolarHBondContact OH-CD 3.42Å; Y190-L201 HydrophobicContact CD1-CB 4.04Å; Y190-L201 HydrophobicContact CD1-CD1 4.46Å; Y190-L454 HydrophobicContact CD1-CD1 3.99Å; Y190-L454 HydrophobicContact CD2-CD1 4.13Å; Y190-L454 HydrophobicContact CE1-CD1 4.37Å; Y190-L454 HydrophobicContact CG-CD1 3.84Å
191L96.3Very high85.4Confident3 Ų369.5 Ų69.52%0.01633%0.328CS..EExtended strand (participates in β ladder)trans-83.9114.3172.7-17866.7000109.7Y168 E193 W198 F415 T422 M438Y168-L191 HydrophobicContact CD1-CD2 4.27Å; Y168-L191 PolarHBondContact O-N 3.37Å; L191-E193 HydrophobicContact CD2-CG 3.92Å; L191-E193 HydrophobicContact CG-CG 4.05Å; L191-E193 PolarHBondContact O-N 3.4Å; L191-W198 HydrophobicContact CB-CD2 4.5Å; L191-W198 HydrophobicContact CB-CE3 4.4Å; L191-W198 HydrophobicContact CB-CH2 4.15Å; L191-W198 HydrophobicContact CB-CZ2 4.21Å; L191-W198 HydrophobicContact CB-CZ3 4.24Å; L191-W198 HydrophobicContact CD1-CD2 4.41Å; L191-W198 HydrophobicContact CD1-CZ2 4.44Å; L191-F415 HydrophobicContact CD2-CD1 4.39Å; L191-F415 HydrophobicContact CD2-CE1 4.39Å; L191-T422 HydrophobicContact CD2-CG2 3.97Å; L191-M438 HydrophobicContact CD1-CB 4.49Å; L191-M438 HydrophobicContact CD2-CE 3.8Å; L191-M438 HydrophobicContact CD2-SD 3.76Å; L191-M438 HydrophobicContact CG-SD 4.46Å
192D94.6Very high87.7Confident22 Ų2264.6 Ų64.612%0.11830%0.303CS..EExtended strand (participates in β ladder)trans-79.199.5164.3177.8-16.9000107.8Y190 E194 H195 R196 K197 R199Y190-D192 HydrophobicContact CE2-CB 4.22Å; D192-E194 VanDerWaalsContact C-N 3.32Å; D192-E194 PolarHBondContact OD1-N 3Å; D192-E194 VanDerWaalsContact OD1-N 3.16Å; D192-H195 VanDerWaalsContact CG-ND1 3.26Å; D192-H195 IonicContact OD1-CG 3.36Å; D192-H195 PolarHBondContact OD1-N 2.86Å; D192-H195 IonicContact OD1-ND1 2.72Å; D192-H195 PolarHBondContact OD1-ND1 2.98Å; D192-H195 VanDerWaalsContact OD1-ND1 3.08Å; D192-H195 IonicContact OD2-CE1 2.97Å; D192-H195 IonicContact OD2-CG 3.08Å; D192-H195 IonicContact OD2-ND1 3.74Å; D192-H195 PolarHBondContact OD2-ND1 2.94Å; D192-R196 CarbonylContact O-C 3.5Å; D192-R196 WeakPolarHBondContact O-CA 3.49Å; D192-R196 PolarHBondContact O-N 3.36Å; D192-K197 WeakPolarHBondContact CB-O 3.31Å; D192-K197 PolarHBondContact N-O 3.03Å; D192-K197 PolarHBondContact O-N 3.31Å; D192-R199 HydrophobicContact CB-CG 4.18Å; D192-R199 IonicContact OD2-CZ 3.11Å; D192-R199 VanDerWaalsContact OD2-CZ 3.27Å; D192-R199 IonicContact OD2-NE 2.55Å; D192-R199 PolarHBondContact OD2-NE 3.13Å; D192-R199 IonicContact OD2-NH2 3.93Å; D192-R199 PolarHBondContact OD2-NH2 3.04Å
193E92.3Very high89.7Confident42 Ų4262.5 Ų62.520%0.19629%0.293CS..THydrogen-bonded Turntrans-72-24.4-177-73.5172.7-109.900113.8L191 R196 R410 R436 M438L191-E193 HydrophobicContact CD2-CG 3.92Å; L191-E193 HydrophobicContact CG-CG 4.05Å; L191-E193 PolarHBondContact O-N 3.4Å; E193-R196 WeakPolarHBondContact O-CG 3.27Å; E193-R410 IonicContact OE1-CZ 3.25Å; E193-R410 IonicContact OE1-NH1 2.66Å; E193-R410 PolarHBondContact OE1-NH1 2.9Å; E193-R410 IonicContact OE1-NH2 3.74Å; E193-R410 PolarHBondContact OE1-NH2 2.88Å; E193-R410 IonicContact OE2-CZ 3.18Å; E193-R410 IonicContact OE2-NH1 2.76Å; E193-R410 IonicContact OE2-NH2 2.73Å; E193-R410 PolarHBondContact OE2-NH2 3.03Å; E193-R436 IonicContact OE2-CZ 3.35Å; E193-R436 IonicContact OE2-NH2 3.07Å; E193-R436 PolarHBondContact OE2-NH2 3.39Å; E193-M438 HydrophobicContact CG-SD 4.27Å
194E90.8Very high91.2Very high170 Ų17060.8 Ų60.879%0.79428%0.284SS*.THydrogen-bonded Turntrans-70.3-48.4177.5-177.5177.9-171.400109.8D192 R196D192-E194 VanDerWaalsContact C-N 3.32Å; D192-E194 PolarHBondContact OD1-N 3Å; D192-E194 VanDerWaalsContact OD1-N 3.16Å; E194-R196 VanDerWaalsContact C-N 3.34Å
195H93.7Very high92.4Very high105 Ų10556.9 Ų56.949%0.48626%0.261SS..THydrogen-bonded Turntrans-86.1-9.8177.2-58.886.2000113D192 K197D192-H195 VanDerWaalsContact CG-ND1 3.26Å; D192-H195 IonicContact OD1-CG 3.36Å; D192-H195 PolarHBondContact OD1-N 2.86Å; D192-H195 IonicContact OD1-ND1 2.72Å; D192-H195 PolarHBondContact OD1-ND1 2.98Å; D192-H195 VanDerWaalsContact OD1-ND1 3.08Å; D192-H195 IonicContact OD2-CE1 2.97Å; D192-H195 IonicContact OD2-CG 3.08Å; D192-H195 IonicContact OD2-ND1 3.74Å; D192-H195 PolarHBondContact OD2-ND1 2.94Å; H195-K197 VanDerWaalsContact C-N 3.33Å; H195-K197 WeakPolarHBondContact O-CG 3.31Å; H195-K197 PolarHBondContact O-N 3.16Å
196R94Very high93.1Very high133 Ų13361 Ų6150%0.50228%0.284SS..THydrogen-bonded Turntrans59.836.6-178.4-55.4170.673.21753.1113.2D192 E193 E194 E437 M438 E439D192-R196 CarbonylContact O-C 3.5Å; D192-R196 WeakPolarHBondContact O-CA 3.49Å; D192-R196 PolarHBondContact O-N 3.36Å; E193-R196 WeakPolarHBondContact O-CG 3.27Å; E194-R196 VanDerWaalsContact C-N 3.34Å; R196-E437 PolarHBondContact NH2-O 3.12Å; R196-M438 HydrophobicContact CB-CB 4.24Å; R196-M438 HydrophobicContact CB-CG 4.04Å; R196-M438 HydrophobicContact CG-CG 4.11Å; R196-E439 WeakPolarHBondContact O-CB 3.5Å; R196-E439 PolarHBondContact O-N 2.62Å
197K95.2Very high93Very high117 Ų11761.9 Ų61.951%0.50930%0.297SS..EExtended strand (participates in β ladder)trans-131.3154.3-175.5-59.6-164.5177.6177.50112.8D192 H195 E439D192-K197 WeakPolarHBondContact CB-O 3.31Å; D192-K197 PolarHBondContact N-O 3.03Å; D192-K197 PolarHBondContact O-N 3.31Å; H195-K197 VanDerWaalsContact C-N 3.33Å; H195-K197 WeakPolarHBondContact O-CG 3.31Å; H195-K197 PolarHBondContact O-N 3.16Å; K197-E439 WeakPolarHBondContact CA-OE2 3.22Å; K197-E439 VanDerWaalsContact CB-OE2 3.24Å; K197-E439 WeakPolarHBondContact CB-OE2 3.49Å; K197-E439 WeakPolarHBondContact CG-OE2 3.36Å
198W95.5Very high92.9Very high36 Ų3661.5 Ų61.514%0.13630%0.295CS..EExtended strand (participates in β ladder)trans-82132.6171.3-74.491.8000111.2Y168 A170 C189 Y190 L191 L417 T422 E439 F441Y168-W198 AromaticContact CD1-CH2 3.56Å; Y168-W198 HydrophobicContact CD1-CH2 3.56Å; Y168-W198 AromaticContact CD1-CZ2 3.8Å; Y168-W198 HydrophobicContact CD1-CZ2 3.8Å; Y168-W198 AromaticContact CE1-CH2 3.84Å; Y168-W198 HydrophobicContact CE1-CH2 3.84Å; Y168-W198 AromaticContact CE1-CZ2 3.89Å; Y168-W198 HydrophobicContact CE1-CZ2 3.89Å; Y168-W198 HydrophobicContact CG-CH2 4.39Å; A170-W198 HydrophobicContact CB-CE3 4.28Å; A170-W198 HydrophobicContact CB-CH2 3.65Å; A170-W198 HydrophobicContact CB-CZ3 3.5Å; A170-W198 VanDerWaalsContact CB-CZ3 3.5Å; C189-W198 HydrophobicContact CB-CE3 3.9Å; C189-W198 HydrophobicContact CB-CZ3 4.44Å; Y190-W198 VanDerWaalsContact C-CE3 3.48Å; L191-W198 HydrophobicContact CB-CD2 4.5Å; L191-W198 HydrophobicContact CB-CE3 4.4Å; L191-W198 HydrophobicContact CB-CH2 4.15Å; L191-W198 HydrophobicContact CB-CZ2 4.21Å; L191-W198 HydrophobicContact CB-CZ3 4.24Å; L191-W198 HydrophobicContact CD1-CD2 4.41Å; L191-W198 HydrophobicContact CD1-CZ2 4.44Å; W198-L417 HydrophobicContact CH2-CD1 4.46Å; W198-L417 HydrophobicContact CH2-CD2 3.81Å; W198-L417 HydrophobicContact CZ2-CD1 3.43Å; W198-L417 VanDerWaalsContact CZ2-CD1 3.43Å; W198-L417 HydrophobicContact CZ2-CD2 3.57Å; W198-L417 HydrophobicContact CZ2-CG 4.1Å; W198-T422 HydrophobicContact CZ2-CG2 4.3Å; W198-T422 PolarHBondContact NE1-OG1 3.21Å; W198-E439 PolarHBondContact NE1-O 3.45Å; W198-F441 HydrophobicContact CB-CD2 4.37Å; W198-F441 AromaticContact CD2-CD2 3.67Å; W198-F441 HydrophobicContact CD2-CD2 3.67Å; W198-F441 HydrophobicContact CD2-CE2 4.12Å; W198-F441 AromaticContact CE3-CD2 3.98Å; W198-F441 HydrophobicContact CE3-CD2 3.98Å; W198-F441 AromaticContact CE3-CE2 3.97Å; W198-F441 HydrophobicContact CE3-CE2 3.97Å; W198-F441 AromaticContact CG-CD2 3.83Å; W198-F441 HydrophobicContact CG-CD2 3.83Å; W198-F441 HydrophobicContact CG-CE2 4.44Å
199R94.6Very high92.6Very high104 Ų10461.6 Ų61.639%0.39230%0.296SS..EExtended strand (participates in β ladder)trans-120.7146.6175.9-66.5-171.9-174.5-95.65.3110.9C189 Y190 D192C189-R199 CarbonylContact C-O 3.54Å; C189-R199 WeakPolarHBondContact CA-O 3.36Å; C189-R199 VanDerWaalsContact CB-O 3.3Å; C189-R199 WeakPolarHBondContact CB-O 3.36Å; Y190-R199 HydrophobicContact CD1-CB 4.09Å; Y190-R199 HydrophobicContact CE1-CB 3.62Å; Y190-R199 HydrophobicContact CE2-CB 4.15Å; Y190-R199 PolarHBondContact N-O 3.44Å; Y190-R199 PolarHBondContact O-N 2.82Å; Y190-R199 WeakPolarHBondContact OH-CD 3.42Å; D192-R199 HydrophobicContact CB-CG 4.18Å; D192-R199 IonicContact OD2-CZ 3.11Å; D192-R199 VanDerWaalsContact OD2-CZ 3.27Å; D192-R199 IonicContact OD2-NE 2.55Å; D192-R199 PolarHBondContact OD2-NE 3.13Å; D192-R199 IonicContact OD2-NH2 3.93Å; D192-R199 PolarHBondContact OD2-NH2 3.04Å
200T94.3Very high92.4Very high79 Ų7961.5 Ų61.549%0.48530%0.295SS..EExtended strand (participates in β ladder)trans-74.1127.5171.9-64.30000109.2T187T187-T200 HydrophobicContact CG2-CG2 3.9Å
201L94.6Very high92.1Very high34 Ų3460.3 Ų60.318%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-85.1-59.4169.7-178.959.9000110.4M169 V188 Y190 Y242 L454M169-L201 HydrophobicContact CE-CD2 3.36Å; V188-L201 HydrophobicContact CG1-CD2 4.44Å; V188-L201 WeakPolarHBondContact O-CB 3.43Å; V188-L201 PolarHBondContact O-N 2.55Å; Y190-L201 HydrophobicContact CD1-CB 4.04Å; Y190-L201 HydrophobicContact CD1-CD1 4.46Å; L201-Y242 HydrophobicContact CD2-CE1 3.61Å; L201-Y242 HydrophobicContact CG-CE1 4.29Å; L201-Y242 WeakPolarHBondContact CG-OH 3.33Å; L201-L454 HydrophobicContact CD1-CD1 4.15Å; L201-L454 HydrophobicContact CD1-CD2 4.04Å; L201-L454 HydrophobicContact CD2-CD2 3.58Å; L201-L454 HydrophobicContact CG-CD2 4.5Å
202T94.2Very high92Very high18 Ų1863.1 Ų63.111%0.1131%0.306CS..EExtended strand (participates in β ladder)trans-150.2160.6-174.6-170.40000111T187 V188 Y242 W249T187-T202 VanDerWaalsContact CA-O 3.31Å; T187-T202 WeakPolarHBondContact CA-O 3.42Å; T187-T202 WeakPolarHBondContact CB-O 3.28Å; V188-T202 HydrophobicContact CB-CG2 3.9Å; V188-T202 HydrophobicContact CG2-CG2 3.85Å; V188-T202 PolarHBondContact N-O 2.91Å; V188-T202 PolarHBondContact O-N 2.72Å; T202-Y242 HydrophobicContact CG2-CD1 4.44Å; T202-Y242 HydrophobicContact CG2-CD2 3.94Å; T202-Y242 HydrophobicContact CG2-CE1 4.14Å; T202-Y242 HydrophobicContact CG2-CE2 3.59Å; T202-Y242 HydrophobicContact CG2-CG 4.34Å; T202-W249 HydrophobicContact CG2-CZ2 3.92Å; T202-W249 PolarHBondContact OG1-NE1 2.87Å
203Q92.7Very high92Very high133 Ų13362.2 Ų62.262%0.62130%0.301SS*.EExtended strand (participates in β ladder)trans-89.7142.5172.6-62.4-170.6-0.900110.3T187 W249T187-Q203 HydrophobicContact CG2-CG 4.33Å; Q203-W249 PolarHBondContact O-NE1 3.14Å; Q203-W249 VanDerWaalsContact O-NE1 3.13Å
204L91.5Very high92.2Very high10 Ų1060.2 Ų60.25%0.05229%0.292CS..PPolyproline II helixtrans-72.3140.1175.2-62.1172.3000110.1V171 R186 V188 T210 I224 W249V171-L204 HydrophobicContact CG1-CD1 4.43Å; R186-L204 HydrophobicContact CB-CB 4.32Å; R186-L204 HydrophobicContact CB-CD1 4.26Å; R186-L204 PolarHBondContact O-N 3.21Å; V188-L204 HydrophobicContact CG2-CD2 3.82Å; L204-T210 HydrophobicContact CD1-CG2 3.52Å; L204-I224 HydrophobicContact CD2-CD1 3.74Å; L204-W249 HydrophobicContact CD2-CH2 3.61Å; L204-W249 HydrophobicContact CD2-CZ2 3.66Å
205P90.3Very high92.5Very high34 Ų3453.1 Ų53.122%0.22126%0.26CS..PPolyproline II helixtrans-52.9148.4168.8-23.632000111.7R186 S207 T208 F240 W249R186-P205 PolarHBondContact NH2-O 3.12Å; P205-S207 PolarHBondContact O-N 3.09Å; P205-T208 WeakPolarHBondContact CB-OG1 3.5Å; P205-T208 WeakPolarHBondContact CD-OG1 3.37Å; P205-T208 WeakPolarHBondContact O-CB 3.28Å; P205-T208 PolarHBondContact O-N 3.49Å; P205-T208 VanDerWaalsContact O-N 3.15Å; P205-T208 PolarHBondContact O-OG1 2.99Å; P205-F240 HydrophobicContact CB-CD1 4.36Å; P205-F240 HydrophobicContact CB-CE1 4.38Å; P205-F240 HydrophobicContact CG-CD1 4.25Å; P205-W249 VanDerWaalsContact CD-CD2 3.48Å; P205-W249 HydrophobicContact CG-CB 3.73Å; P205-W249 HydrophobicContact CG-CD2 3.7Å; P205-W249 HydrophobicContact CG-CE3 3.97Å; P205-W249 HydrophobicContact CG-CG 3.59Å
206L84.3Confident92.7Very high142 Ų14248.5 Ų48.574%0.74324%0.241SC*.THydrogen-bonded Turntrans-61.5-31.8-176.6-69.1174.6000113R186R186-L206 PolarHBondContact NH2-O 3.15Å; R186-L206 VanDerWaalsContact NH2-O 3.14Å
207S85.6Confident92.9Very high63 Ų6344 Ų4444%0.44123%0.228SC..THydrogen-bonded Turntrans-80-14.3-179.645.70000114.1P205 F240P205-S207 PolarHBondContact O-N 3.09Å; S207-F240 WeakPolarHBondContact OG-CE1 3.43Å; S207-F240 VanDerWaalsContact OG-CZ 3.25Å; S207-F240 WeakPolarHBondContact OG-CZ 2.91Å
208T89.1Confident93Very high2 Ų238.8 Ų38.81%0.01221%0.206CC..  trans-72.4139179.9-52.20000111.3R186 P205 I224 F240R186-T208 PolarHBondContact NH1-O 3.17Å; R186-T208 PolarHBondContact NH2-O 3.47Å; P205-T208 WeakPolarHBondContact CB-OG1 3.5Å; P205-T208 WeakPolarHBondContact CD-OG1 3.37Å; P205-T208 WeakPolarHBondContact O-CB 3.28Å; P205-T208 PolarHBondContact O-N 3.49Å; P205-T208 VanDerWaalsContact O-N 3.15Å; P205-T208 PolarHBondContact O-OG1 2.99Å; T208-I224 HydrophobicContact CG2-CB 4.09Å; T208-I224 HydrophobicContact CG2-CD1 4.14Å; T208-I224 HydrophobicContact CG2-CG2 3.69Å; T208-F240 HydrophobicContact CG2-CB 4.39Å; T208-F240 HydrophobicContact CG2-CD2 3.78Å; T208-F240 HydrophobicContact CG2-CE2 4.36Å; T208-F240 HydrophobicContact CG2-CG 4.12Å; T208-F240 VanDerWaalsContact OG1-CD1 3.28Å; T208-F240 WeakPolarHBondContact OG1-CD1 3.28Å; T208-F240 WeakPolarHBondContact OG1-CD2 3.3Å; T208-F240 WeakPolarHBondContact OG1-CG 3.44Å
209S90Very high93Very high2 Ų242.1 Ų42.11%0.01423%0.226CC..  trans-109.7139.7164.9-173.40000110.4T211 A213 I224 V228 V236S209-T211 PolarHBondContact OG-N 3.43Å; S209-T211 VanDerWaalsContact OG-N 3.14Å; S209-A213 VanDerWaalsContact O-CB 3.25Å; S209-A213 WeakPolarHBondContact O-CB 3.32Å; S209-I224 WeakPolarHBondContact O-CG2 3.21Å; S209-V228 VanDerWaalsContact CB-O 3.31Å; S209-V228 WeakPolarHBondContact CB-O 3.44Å; S209-V228 PolarHBondContact OG-O 3.48Å; S209-V236 VanDerWaalsContact CB-CG2 3.46Å
210T91.1Very high93.1Very high0 Ų039.7 Ų39.70%022%0.221CC..  trans-109.83168.5570000111.1V171 C172 S173 H174 L204 I224 Y448V171-T210 HydrophobicContact CG1-CG2 3.51Å; C172-T210 PolarHBondContact O-OG1 3.46Å; S173-T210 WeakPolarHBondContact CA-OG1 3.24Å; H174-T210 PolarHBondContact CE1-N 3.21Å; H174-T210 VanDerWaalsContact CE1-N 3.26Å; H174-T210 PolarHBondContact N-OG1 2.57Å; H174-T210 PolarHBondContact ND1-OG1 2.78Å; L204-T210 HydrophobicContact CD1-CG2 3.52Å; T210-I224 HydrophobicContact CG2-CD1 4.19Å; T210-I224 HydrophobicContact CG2-CG2 4.46Å; T210-Y448 VanDerWaalsContact O-CE2 3.27Å; T210-Y448 WeakPolarHBondContact O-CE2 3.19Å
211T90.7Very high93.2Very high18 Ų1839.5 Ų39.511%0.1121%0.213CC..SBendtrans-90.9114.4-179.1-66.90000109.1H174 S209 A213 G227 V228H174-T211 PolarHBondContact O-OG1 3.39Å; S209-T211 PolarHBondContact OG-N 3.43Å; S209-T211 VanDerWaalsContact OG-N 3.14Å; T211-A213 PolarHBondContact O-N 3.35Å; T211-A213 VanDerWaalsContact O-N 3.16Å; T211-G227 VanDerWaalsContact O-CA 3.23Å; T211-G227 WeakPolarHBondContact O-CA 3.37Å; T211-V228 HydrophobicContact CG2-CG2 3.85Å; T211-V228 PolarHBondContact O-N 3.11Å
212M93.2Very high93.4Very high62 Ų6237.9 Ų37.931%0.30521%0.205SC..SBendtrans58.523.8-175.9-52.116894.700112.1G227 V228 Y260 S261M212-G227 WeakPolarHBondContact O-CA 3.43Å; M212-V228 HydrophobicContact SD-CG2 4.24Å; M212-Y260 HydrophobicContact CB-CD2 4.37Å; M212-Y260 HydrophobicContact CE-CD2 3.64Å; M212-Y260 HydrophobicContact CE-CE2 3.77Å; M212-Y260 CarbonylContact O-C 3.49Å; M212-Y260 HydrophobicContact SD-CD2 3.98Å; M212-Y260 HydrophobicContact SD-CE2 4.45Å; M212-S261 WeakPolarHBondContact CE-OG 3.34Å; M212-S261 PolarHBondContact O-N 2.87Å
213A95.1Very high93.6Very high2 Ų237.7 Ų37.72%0.01720%0.202CC..  trans-82.2159.8177.500000110.9S209 T211 I224 Y448S209-A213 VanDerWaalsContact O-CB 3.25Å; S209-A213 WeakPolarHBondContact O-CB 3.32Å; T211-A213 PolarHBondContact O-N 3.35Å; T211-A213 VanDerWaalsContact O-N 3.16Å; A213-I224 HydrophobicContact CB-CG2 4.09Å; A213-Y448 PolarHBondContact N-OH 2.92Å; A213-Y448 WeakPolarHBondContact O-CE1 2.82Å; A213-Y448 PolarHBondContact O-OH 3.16Å
214G96.4Very high93.8Very high1 Ų131.4 Ų31.41%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-83.4131.4162.800000109.7I224 I225G214-I224 WeakPolarHBondContact O-CA 3.47Å; G214-I225 PolarHBondContact N-O 2.67Å; G214-I225 PolarHBondContact O-N 3.26Å
215V97.1Very high94.1Very high20 Ų2031 Ų3112%0.12117%0.17CC..EExtended strand (participates in β ladder)trans-128.3126.2177.4-176.90000108.5L222 Y223 I224 Y448 F450V215-L222 HydrophobicContact CG1-CD1 3.59Å; V215-Y223 WeakPolarHBondContact CA-O 3.41Å; V215-I224 HydrophobicContact CG1-CG1 4.46Å; V215-I224 HydrophobicContact CG2-CG1 4.34Å; V215-I224 HydrophobicContact CG2-CG2 4.47Å; V215-Y448 HydrophobicContact CB-CD1 3.71Å; V215-Y448 HydrophobicContact CB-CE1 4.24Å; V215-Y448 HydrophobicContact CB-CG 3.98Å; V215-Y448 HydrophobicContact CG2-CD1 3.63Å; V215-Y448 HydrophobicContact CG2-CD2 4Å; V215-Y448 HydrophobicContact CG2-CE1 3.86Å; V215-Y448 HydrophobicContact CG2-CE2 4.25Å; V215-Y448 HydrophobicContact CG2-CG 3.67Å; V215-F450 HydrophobicContact CG1-CD1 4.17Å; V215-F450 HydrophobicContact CG1-CE1 3.99Å
216A97.7Very high94.3Very high9 Ų929.5 Ų29.57%0.07416%0.162CC..EExtended strand (participates in β ladder)trans-145.3154.917900000111.2Y223 L264 L271A216-Y223 PolarHBondContact N-O 3.26Å; A216-Y223 PolarHBondContact O-N 2.77Å; A216-L264 HydrophobicContact CB-CB 4.15Å; A216-L264 HydrophobicContact CB-CD2 3.74Å; A216-L264 HydrophobicContact CB-CG 3.65Å; A216-L271 HydrophobicContact CB-CD2 4.3Å
217V97.9Very high94.7Very high39 Ų3922.8 Ų22.824%0.23613%0.126CC..EExtended strand (participates in β ladder)trans-108134.4167.8176.30000108.3K221 L222 F450 M452V217-K221 VanDerWaalsContact CA-O 3.28Å; V217-K221 WeakPolarHBondContact CA-O 3.02Å; V217-L222 HydrophobicContact CG2-CD1 4.43Å; V217-F450 HydrophobicContact CG2-CB 3.86Å; V217-F450 HydrophobicContact CG2-CD2 3.43Å; V217-F450 VanDerWaalsContact CG2-CD2 3.43Å; V217-F450 HydrophobicContact CG2-CE2 4.19Å; V217-F450 HydrophobicContact CG2-CG 3.8Å; V217-M452 HydrophobicContact CG1-CG 4.18Å; V217-M452 HydrophobicContact CG2-CG 3.89Å; V217-M452 HydrophobicContact CG2-SD 4.39Å
218L97.5Very high95Very high7 Ų720 Ų204%0.03711%0.107CC..EExtended strand (participates in β ladder)trans-143.2131.8174.6174.467.6000108.2N220 K221 Y223 L271 T291L218-N220 PolarHBondContact O-N 3.36Å; L218-N220 VanDerWaalsContact O-N 3.16Å; L218-K221 PolarHBondContact N-O 2.95Å; L218-K221 WeakPolarHBondContact O-CB 3.45Å; L218-K221 PolarHBondContact O-N 2.78Å; L218-Y223 HydrophobicContact CB-CD2 4.1Å; L218-Y223 HydrophobicContact CB-CE2 3.76Å; L218-L271 HydrophobicContact CB-CD2 4.01Å; L218-L271 HydrophobicContact CD2-CD2 3.88Å; L218-L271 HydrophobicContact CD2-CG 3.97Å; L218-T291 HydrophobicContact CD2-CG2 3.59Å
219D95.1Very high94.9Very high106 Ų10623.1 Ų23.157%0.56712%0.121SC*.THydrogen-bonded Turntrans48.743.9-179.7-54.4-28.7000113.3K221D219-K221 PolarHBondContact O-N 3.07Å
220N96.2Very high94.6Very high53 Ų5325.1 Ų25.128%0.28313%0.132SC..THydrogen-bonded Turntrans59.120.3-176.4-161.846.8000115.2L218 P244 M452 R453L218-N220 PolarHBondContact O-N 3.36Å; L218-N220 VanDerWaalsContact O-N 3.16Å; N220-P244 WeakPolarHBondContact O-CD 3.19Å; N220-P244 WeakPolarHBondContact O-CG 3.43Å; N220-M452 VanDerWaalsContact O-CE 3.27Å; N220-M452 WeakPolarHBondContact O-CE 3.28Å; N220-R453 PolarHBondContact ND2-O 2.8Å; N220-R453 PolarHBondContact OD1-N 3.2Å; N220-R453 PolarHBondContact OD1-O 3.29Å
221K97.6Very high94.2Very high74 Ų7430.8 Ų30.832%0.32217%0.166SC..EExtended strand (participates in β ladder)trans-112.6145.2173.1-63.2178.2-175.5175.60110.5V217 L218 D219 Y223 Y242V217-K221 VanDerWaalsContact CA-O 3.28Å; V217-K221 WeakPolarHBondContact CA-O 3.02Å; L218-K221 PolarHBondContact N-O 2.95Å; L218-K221 WeakPolarHBondContact O-CB 3.45Å; L218-K221 PolarHBondContact O-N 2.78Å; D219-K221 PolarHBondContact O-N 3.07Å; K221-Y223 HydrophobicContact CB-CD2 4.49Å; K221-Y223 HydrophobicContact CB-CE2 3.72Å; K221-Y223 WeakPolarHBondContact O-CD2 3.46Å; K221-Y242 WeakPolarHBondContact CA-O 3.23Å
222L98.4Very high94Very high0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-95127.6179.4168.367.9000110V171 V188 V215 V217 I224 C241 Y242 W249 F450 M452V171-L222 HydrophobicContact CG2-CD2 4.45Å; V188-L222 HydrophobicContact CG1-CD2 4.12Å; V188-L222 HydrophobicContact CG2-CD2 3.78Å; V215-L222 HydrophobicContact CG1-CD1 3.59Å; V217-L222 HydrophobicContact CG2-CD1 4.43Å; L222-I224 HydrophobicContact CD1-CG1 4.44Å; L222-I224 HydrophobicContact CD2-CD1 4.33Å; L222-I224 HydrophobicContact CG-CG1 4.28Å; L222-C241 CarbonylContact O-C 3.54Å; L222-C241 VanDerWaalsContact O-CA 3.27Å; L222-C241 WeakPolarHBondContact O-CA 3.34Å; L222-Y242 HydrophobicContact CB-CD1 4.44Å; L222-Y242 PolarHBondContact N-O 3.49Å; L222-Y242 PolarHBondContact O-N 3.34Å; L222-W249 HydrophobicContact CD2-CH2 4.03Å; L222-F450 HydrophobicContact CD1-CD1 4.44Å; L222-F450 HydrophobicContact CD1-CD2 4.44Å; L222-F450 HydrophobicContact CD1-CE1 3.87Å; L222-F450 HydrophobicContact CD1-CE2 3.86Å; L222-F450 HydrophobicContact CD1-CZ 3.55Å; L222-F450 HydrophobicContact CD2-CE2 4.27Å; L222-F450 HydrophobicContact CD2-CZ 3.81Å; L222-F450 HydrophobicContact CG-CZ 4.28Å; L222-M452 HydrophobicContact CB-CE 4.03Å; L222-M452 HydrophobicContact CB-SD 3.78Å
223Y98.1Very high93.7Very high15 Ų1534.8 Ų34.86%0.05919%0.191CC..EExtended strand (participates in β ladder)trans-113.6130.3177.9-65-94.2000110.3V215 A216 L218 K221 F240 C241 I252 L271 T291V215-Y223 WeakPolarHBondContact CA-O 3.41Å; A216-Y223 PolarHBondContact N-O 3.26Å; A216-Y223 PolarHBondContact O-N 2.77Å; L218-Y223 HydrophobicContact CB-CD2 4.1Å; L218-Y223 HydrophobicContact CB-CE2 3.76Å; K221-Y223 HydrophobicContact CB-CD2 4.49Å; K221-Y223 HydrophobicContact CB-CE2 3.72Å; K221-Y223 WeakPolarHBondContact O-CD2 3.46Å; Y223-F240 CarbonylContact C-O 3.51Å; Y223-F240 WeakPolarHBondContact CA-O 3.28Å; Y223-C241 HydrophobicContact CD1-CB 3.92Å; Y223-C241 HydrophobicContact CE1-CB 3.81Å; Y223-C241 VanDerWaalsContact CE1-SG 3.58Å; Y223-I252 HydrophobicContact CD1-CD1 3.69Å; Y223-I252 HydrophobicContact CE1-CD1 4.03Å; Y223-L271 HydrophobicContact CD1-CD1 3.46Å; Y223-L271 VanDerWaalsContact CD1-CD1 3.46Å; Y223-L271 HydrophobicContact CD2-CD1 4.29Å; Y223-L271 HydrophobicContact CD2-CD2 4.09Å; Y223-L271 HydrophobicContact CE1-CD1 3.89Å; Y223-L271 HydrophobicContact CG-CD1 3.66Å; Y223-L271 HydrophobicContact CG-CD2 4.12Å; Y223-L271 HydrophobicContact CG-CG 4.5Å; Y223-T291 HydrophobicContact CE1-CG2 4.43Å
224I97.3Very high93.6Very high1 Ų141.7 Ų41.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-126.9118.8175.6-55.9178.8000108.4L204 T208 S209 T210 A213 G214 V215 L222 F240 W249L204-I224 HydrophobicContact CD2-CD1 3.74Å; T208-I224 HydrophobicContact CG2-CB 4.09Å; T208-I224 HydrophobicContact CG2-CD1 4.14Å; T208-I224 HydrophobicContact CG2-CG2 3.69Å; S209-I224 WeakPolarHBondContact O-CG2 3.21Å; T210-I224 HydrophobicContact CG2-CD1 4.19Å; T210-I224 HydrophobicContact CG2-CG2 4.46Å; A213-I224 HydrophobicContact CB-CG2 4.09Å; G214-I224 WeakPolarHBondContact O-CA 3.47Å; V215-I224 HydrophobicContact CG1-CG1 4.46Å; V215-I224 HydrophobicContact CG2-CG1 4.34Å; V215-I224 HydrophobicContact CG2-CG2 4.47Å; L222-I224 HydrophobicContact CD1-CG1 4.44Å; L222-I224 HydrophobicContact CD2-CD1 4.33Å; L222-I224 HydrophobicContact CG-CG1 4.28Å; I224-F240 PolarHBondContact N-O 2.84Å; I224-F240 PolarHBondContact O-N 3.15Å; I224-W249 HydrophobicContact CD1-CH2 3.79Å; I224-W249 HydrophobicContact CD1-CZ3 4.16Å
225I96.7Very high93.4Very high0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-135.4140.7-168.5-55.2-169.7000110.3G214 I252 P255 F262 L264 L271 W296G214-I225 PolarHBondContact N-O 2.67Å; G214-I225 PolarHBondContact O-N 3.26Å; I225-I252 HydrophobicContact CD1-CD1 4.07Å; I225-P255 VanDerWaalsContact CG2-CD 3.41Å; I225-P255 HydrophobicContact CG2-CG 3.93Å; I225-F262 HydrophobicContact CB-CZ 4.03Å; I225-F262 HydrophobicContact CG2-CZ 4.01Å; I225-F262 WeakPolarHBondContact O-CE1 3.49Å; I225-F262 WeakPolarHBondContact O-CZ 3.5Å; I225-L264 HydrophobicContact CB-CD2 4.17Å; I225-L264 HydrophobicContact CD1-CD1 4.14Å; I225-L264 HydrophobicContact CD1-CD2 3.97Å; I225-L264 HydrophobicContact CG1-CD2 3.91Å; I225-L271 HydrophobicContact CD1-CD1 3.96Å; I225-W296 HydrophobicContact CD1-CH2 4.06Å; I225-W296 HydrophobicContact CD1-CZ2 3.47Å; I225-W296 VanDerWaalsContact CD1-CZ2 3.47Å
226G95Very high93.3Very high4 Ų441.6 Ų41.64%0.04122%0.216CC..  trans63.1-143.1177.200000113V236G226-V236 WeakPolarHBondContact CA-O 3.12Å
227G93Very high93.1Very high0 Ų047.6 Ų47.60%024%0.243CC..  trans80.7-167.1-170.500000111.6T211 M212 V235 V236 R259T211-G227 VanDerWaalsContact O-CA 3.23Å; T211-G227 WeakPolarHBondContact O-CA 3.37Å; M212-G227 WeakPolarHBondContact O-CA 3.43Å; G227-V235 VanDerWaalsContact O-CA 3.29Å; G227-V235 WeakPolarHBondContact O-CA 3.47Å; G227-V236 PolarHBondContact O-N 2.66Å; G227-R259 PolarHBondContact N-O 2.79Å
228V92Very high92.9Very high4 Ų447.3 Ų47.32%0.02424%0.244CC..BIsolated β-bridgetrans-125.4142.2-171.5-61.80000112.6S209 T211 M212 K233 R234 Y260S209-V228 VanDerWaalsContact CB-O 3.31Å; S209-V228 WeakPolarHBondContact CB-O 3.44Å; S209-V228 PolarHBondContact OG-O 3.48Å; T211-V228 HydrophobicContact CG2-CG2 3.85Å; T211-V228 PolarHBondContact O-N 3.11Å; M212-V228 HydrophobicContact SD-CG2 4.24Å; V228-K233 HydrophobicContact CG1-CB 3.96Å; V228-K233 HydrophobicContact CG1-CG 4.47Å; V228-R234 CarbonylContact C-O 3.56Å; V228-R234 WeakPolarHBondContact CA-O 3.41Å; V228-Y260 HydrophobicContact CG1-CD1 4.01Å; V228-Y260 HydrophobicContact CG1-CD2 4.27Å; V228-Y260 HydrophobicContact CG1-CG 3.74Å
229H86.1Confident92.8Very high69 Ų6947 Ų4732%0.31924%0.243SC..SBendtrans-71.7-37.1176-75.7-65.1000112.8R234H229-R234 PolarHBondContact N-O 3.19Å
230D83.4Confident92.9Very high44 Ų4442.2 Ų42.224%0.23522%0.217CC..SBendtrans-156.8-178.7-168.358.460.5000111.5S232 K233 R234D230-S232 PolarHBondContact O-N 3.06Å; D230-S232 WeakPolarHBondContact OD1-CA 3.13Å; D230-S232 WeakPolarHBondContact OD1-CB 3.37Å; D230-S232 PolarHBondContact OD1-N 2.92Å; D230-S232 PolarHBondContact OD1-OG 2.8Å; D230-K233 PolarHBondContact O-N 2.81Å; D230-R234 IonicContact OD2-NE 3.39Å; D230-R234 IonicContact OD2-NH2 3.49Å
231V84.1Confident92.9Very high118 Ų11840 Ų4072%0.71521%0.206SC*.THydrogen-bonded Turntrans-63-19.5-179.6-64.60000114.1P176 K233P176-V231 HydrophobicContact CB-CG1 4.26Å; P176-V231 HydrophobicContact CG-CG1 3.89Å; V231-K233 PolarHBondContact O-N 2.92Å
232S85.9Confident93Very high88 Ų8836.6 Ų36.662%0.61519%0.191SC*.THydrogen-bonded Turntrans-73.7-4.7173.978.70000112.8D230 R234D230-S232 PolarHBondContact O-N 3.06Å; D230-S232 WeakPolarHBondContact OD1-CA 3.13Å; D230-S232 WeakPolarHBondContact OD1-CB 3.37Å; D230-S232 PolarHBondContact OD1-N 2.92Å; D230-S232 PolarHBondContact OD1-OG 2.8Å; S232-R234 PolarHBondContact O-N 2.77Å
233K88.1Confident92.9Very high76 Ų7637.8 Ų37.833%0.3320%0.197SC..  trans61.829.1-179.1-55.3-179.7-176.6174.60113.5V228 D230 V231 V235 Y260 M280V228-K233 HydrophobicContact CG1-CB 3.96Å; V228-K233 HydrophobicContact CG1-CG 4.47Å; D230-K233 PolarHBondContact O-N 2.81Å; V231-K233 PolarHBondContact O-N 2.92Å; K233-V235 PolarHBondContact O-N 3.2Å; K233-Y260 HydrophobicContact CB-CE1 4.37Å; K233-Y260 HydrophobicContact CD-CE2 4.18Å; K233-M280 HydrophobicContact CD-SD 3.73Å; K233-M280 PolarHBondContact NZ-SD 2.88Å
234R91.1Very high92.8Very high147 Ų14737.4 Ų37.456%0.55520%0.196SC*.PPolyproline II helixtrans-61.1117.7168.2-175.6172.457.7120.20.6109.3V228 H229 D230 S232V228-R234 CarbonylContact C-O 3.56Å; V228-R234 WeakPolarHBondContact CA-O 3.41Å; H229-R234 PolarHBondContact N-O 3.19Å; D230-R234 IonicContact OD2-NE 3.39Å; D230-R234 IonicContact OD2-NH2 3.49Å; S232-R234 PolarHBondContact O-N 2.77Å
235V93.8Very high92.6Very high12 Ų1241.8 Ų41.87%0.07322%0.223CC..BIsolated β-bridgetrans-75.3143.6-172.6-175.90000111G227 K233 L258 R259 Y260 F278G227-V235 VanDerWaalsContact O-CA 3.29Å; G227-V235 WeakPolarHBondContact O-CA 3.47Å; K233-V235 PolarHBondContact O-N 3.2Å; V235-L258 HydrophobicContact CB-CB 4.16Å; V235-L258 HydrophobicContact CB-CD1 4.48Å; V235-L258 HydrophobicContact CG1-CB 3.92Å; V235-L258 HydrophobicContact CG1-CD2 4.38Å; V235-R259 WeakPolarHBondContact CG1-O 3.31Å; V235-Y260 HydrophobicContact CG2-CD1 3.71Å; V235-Y260 HydrophobicContact CG2-CE1 4.36Å; V235-F278 HydrophobicContact CG2-CD2 4.12Å; V235-F278 HydrophobicContact CG2-CE2 4.33Å
236V94.1Very high92.4Very high7 Ų746.7 Ų46.74%0.04225%0.25CC..PPolyproline II helixtrans-79.2120.5170.7-170.50000109.4S209 G226 G227 F240S209-V236 VanDerWaalsContact CB-CG2 3.46Å; G226-V236 WeakPolarHBondContact CA-O 3.12Å; G227-V236 PolarHBondContact O-N 2.66Å; V236-F240 HydrophobicContact CG1-CE2 4.11Å
237E94.8Very high92.4Very high136 Ų13650.9 Ų50.964%0.63627%0.271SS*.  trans-81.4-35.3-177.1-50.7-172.6173.400112.7G254 L258E237-G254 VanDerWaalsContact O-CA 3.25Å; E237-G254 WeakPolarHBondContact O-CA 3.37Å; E237-G254 PolarHBondContact O-N 2.79Å; E237-L258 HydrophobicContact CB-CD2 3.92Å; E237-L258 HydrophobicContact CG-CD1 4.13Å; E237-L258 HydrophobicContact CG-CD2 3.72Å
238A93.1Very high92.6Very high33 Ų3354.2 Ų54.227%0.27329%0.291SS..SBendtrans-80.1148.1-18000000112.1F240 T251A238-F240 HydrophobicContact CB-CE2 4.31Å; A238-F240 HydrophobicContact CB-CZ 4.21Å; A238-T251 HydrophobicContact CB-CG2 3.87Å
239G95.4Very high92.9Very high0 Ų056.6 Ų56.60%030%0.3CS..EExtended strand (participates in β ladder)trans-96.9160.516400000111.4T251 I252G239-T251 WeakPolarHBondContact O-CA 3.16Å; G239-I252 VanDerWaalsContact C-CG1 3.47Å; G239-I252 PolarHBondContact N-O 2.76Å; G239-I252 PolarHBondContact O-N 3.38Å
240F96.6Very high93.3Very high6 Ų656.2 Ų56.23%0.02631%0.305CS..EExtended strand (participates in β ladder)trans-130.1135.7179.3-60.2-87.5000110P205 S207 T208 Y223 I224 V236 A238 W249 S250P205-F240 HydrophobicContact CB-CD1 4.36Å; P205-F240 HydrophobicContact CB-CE1 4.38Å; P205-F240 HydrophobicContact CG-CD1 4.25Å; S207-F240 WeakPolarHBondContact OG-CE1 3.43Å; S207-F240 VanDerWaalsContact OG-CZ 3.25Å; S207-F240 WeakPolarHBondContact OG-CZ 2.91Å; T208-F240 HydrophobicContact CG2-CB 4.39Å; T208-F240 HydrophobicContact CG2-CD2 3.78Å; T208-F240 HydrophobicContact CG2-CE2 4.36Å; T208-F240 HydrophobicContact CG2-CG 4.12Å; T208-F240 VanDerWaalsContact OG1-CD1 3.28Å; T208-F240 WeakPolarHBondContact OG1-CD1 3.28Å; T208-F240 WeakPolarHBondContact OG1-CD2 3.3Å; T208-F240 WeakPolarHBondContact OG1-CG 3.44Å; Y223-F240 CarbonylContact C-O 3.51Å; Y223-F240 WeakPolarHBondContact CA-O 3.28Å; I224-F240 PolarHBondContact N-O 2.84Å; I224-F240 PolarHBondContact O-N 3.15Å; V236-F240 HydrophobicContact CG1-CE2 4.11Å; A238-F240 HydrophobicContact CB-CE2 4.31Å; A238-F240 HydrophobicContact CB-CZ 4.21Å; F240-W249 HydrophobicContact CB-CE3 4Å; F240-W249 HydrophobicContact CB-CZ3 3.99Å; F240-S250 WeakPolarHBondContact CA-O 3.29Å
241C97.4Very high93.9Very high7 Ų759 Ų595%0.04732%0.324CS..EExtended strand (participates in β ladder)trans-121.3132176.9177.90000109.3L222 Y223 W249 S250 I252L222-C241 CarbonylContact O-C 3.54Å; L222-C241 VanDerWaalsContact O-CA 3.27Å; L222-C241 WeakPolarHBondContact O-CA 3.34Å; Y223-C241 HydrophobicContact CD1-CB 3.92Å; Y223-C241 HydrophobicContact CE1-CB 3.81Å; Y223-C241 VanDerWaalsContact CE1-SG 3.58Å; C241-W249 CarbonylContact O-C 3.59Å; C241-W249 WeakPolarHBondContact O-CA 3.28Å; C241-S250 PolarHBondContact N-O 3.14Å; C241-S250 PolarHBondContact O-N 3.09Å; C241-I252 HydrophobicContact CB-CG2 4.16Å
242Y98.1Very high94.4Very high2 Ų255.4 Ų55.41%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-110.5124.5172.8173.1-108.1000110.2L201 T202 K221 L222 P244 D247 T248 W249 M452L201-Y242 HydrophobicContact CD2-CE1 3.61Å; L201-Y242 HydrophobicContact CG-CE1 4.29Å; L201-Y242 WeakPolarHBondContact CG-OH 3.33Å; T202-Y242 HydrophobicContact CG2-CD1 4.44Å; T202-Y242 HydrophobicContact CG2-CD2 3.94Å; T202-Y242 HydrophobicContact CG2-CE1 4.14Å; T202-Y242 HydrophobicContact CG2-CE2 3.59Å; T202-Y242 HydrophobicContact CG2-CG 4.34Å; K221-Y242 WeakPolarHBondContact CA-O 3.23Å; L222-Y242 HydrophobicContact CB-CD1 4.44Å; L222-Y242 PolarHBondContact N-O 3.49Å; L222-Y242 PolarHBondContact O-N 3.34Å; Y242-P244 HydrophobicContact CE1-CB 4.01Å; Y242-D247 VanDerWaalsContact CE2-OD1 3.23Å; Y242-D247 WeakPolarHBondContact CE2-OD1 3.47Å; Y242-D247 PolarHBondContact OH-OD1 2.87Å; Y242-T248 WeakPolarHBondContact CA-O 3.34Å; Y242-T248 WeakPolarHBondContact CD2-O 3.27Å; Y242-W249 AromaticContact CD2-CD1 3.76Å; Y242-W249 HydrophobicContact CD2-CD2 4.01Å; Y242-W249 AromaticContact CD2-CE2 3.62Å; Y242-W249 HydrophobicContact CD2-CG 4.1Å; Y242-W249 HydrophobicContact CD2-CZ2 4.13Å; Y242-W249 AromaticContact CD2-NE1 3.47Å; Y242-W249 HydrophobicContact CG-CD2 4.29Å; Y242-W249 AromaticContact CG-CE2 3.89Å; Y242-W249 HydrophobicContact CG-CH2 4.41Å; Y242-W249 AromaticContact CG-CZ2 3.96Å; Y242-W249 HydrophobicContact CG-CZ2 3.96Å; Y242-M452 HydrophobicContact CD1-CE 4.16Å; Y242-M452 HydrophobicContact CE1-CE 4.47Å
243N96.9Very high94.8Very high25 Ų2555 Ų5513%0.13430%0.296CS..EExtended strand (participates in β ladder)trans-98.3111.1174-173.70.7000109.7T245 D246 D247 T248N243-T245 PolarHBondContact O-N 3.47Å; N243-T245 WeakPolarHBondContact OD1-CB 3.12Å; N243-T245 PolarHBondContact OD1-N 2.92Å; N243-T245 VanDerWaalsContact OD1-N 3.11Å; N243-T245 PolarHBondContact OD1-OG1 2.85Å; N243-D246 PolarHBondContact ND2-OD2 3.16Å; N243-D247 WeakPolarHBondContact O-CA 3.45Å; N243-D247 PolarHBondContact O-N 2.73Å; N243-T248 PolarHBondContact N-O 3.18Å; N243-T248 PolarHBondContact O-N 2.98Å
244P95.4Very high95.1Very high6 Ų652.1 Ų52.14%0.03929%0.289CS..THydrogen-bonded Turntrans-69.7-20.9-179.632.3-38.6000112.8N220 Y242 M452 L454 P455N220-P244 WeakPolarHBondContact O-CD 3.19Å; N220-P244 WeakPolarHBondContact O-CG 3.43Å; Y242-P244 HydrophobicContact CE1-CB 4.01Å; P244-M452 HydrophobicContact CB-CE 3.97Å; P244-M452 HydrophobicContact CG-CE 3.64Å; P244-L454 HydrophobicContact CB-CD2 4.2Å; P244-P455 WeakPolarHBondContact O-CD 3.28Å; P244-P455 WeakPolarHBondContact O-CG 3.36Å
245T93.6Very high95.4Very high94 Ų9445.7 Ų45.758%0.57727%0.266SS*.THydrogen-bonded Turntrans-67.4-43.1179.7-56.20000111.9N243N243-T245 PolarHBondContact O-N 3.47Å; N243-T245 WeakPolarHBondContact OD1-CB 3.12Å; N243-T245 PolarHBondContact OD1-N 2.92Å; N243-T245 VanDerWaalsContact OD1-N 3.11Å; N243-T245 PolarHBondContact OD1-OG1 2.85Å
246D93.4Very high95.5Very high103 Ų10351.1 Ų51.155%0.55129%0.29SS*.THydrogen-bonded Turntrans-100.4-4.9-176.8-52.7-39.5000112.2N243 T248N243-D246 PolarHBondContact ND2-OD2 3.16Å; D246-T248 VanDerWaalsContact C-N 3.27Å; D246-T248 HydrophobicContact CB-CG2 4.07Å; D246-T248 WeakPolarHBondContact O-CG2 3.49Å; D246-T248 PolarHBondContact O-N 2.86Å
247D94.6Very high95.6Very high92 Ų9253.6 Ų53.649%0.49230%0.301SS..THydrogen-bonded Turntrans50.245.1-168.5-168.331.8000112.9Y242 N243Y242-D247 VanDerWaalsContact CE2-OD1 3.23Å; Y242-D247 WeakPolarHBondContact CE2-OD1 3.47Å; Y242-D247 PolarHBondContact OH-OD1 2.87Å; N243-D247 WeakPolarHBondContact O-CA 3.45Å; N243-D247 PolarHBondContact O-N 2.73Å
248T96.5Very high95.7Very high70 Ų7049.1 Ų49.143%0.42928%0.281SS..EExtended strand (participates in β ladder)trans-122.6146.7-176.956.70000113.1Y242 N243 D246Y242-T248 WeakPolarHBondContact CA-O 3.34Å; Y242-T248 WeakPolarHBondContact CD2-O 3.27Å; N243-T248 PolarHBondContact N-O 3.18Å; N243-T248 PolarHBondContact O-N 2.98Å; D246-T248 VanDerWaalsContact C-N 3.27Å; D246-T248 HydrophobicContact CB-CG2 4.07Å; D246-T248 WeakPolarHBondContact O-CG2 3.49Å; D246-T248 PolarHBondContact O-N 2.86Å
249W97.8Very high95.9Very high54 Ų5447.6 Ų47.621%0.20527%0.269CS..EExtended strand (participates in β ladder)trans-100.8138.5168.1-72.789.2000110.4V188 T202 Q203 L204 P205 L222 I224 F240 C241 Y242V188-W249 HydrophobicContact CG2-CH2 4.21Å; V188-W249 HydrophobicContact CG2-CZ2 3.78Å; T202-W249 HydrophobicContact CG2-CZ2 3.92Å; T202-W249 PolarHBondContact OG1-NE1 2.87Å; Q203-W249 PolarHBondContact O-NE1 3.14Å; Q203-W249 VanDerWaalsContact O-NE1 3.13Å; L204-W249 HydrophobicContact CD2-CH2 3.61Å; L204-W249 HydrophobicContact CD2-CZ2 3.66Å; P205-W249 VanDerWaalsContact CD-CD2 3.48Å; P205-W249 HydrophobicContact CG-CB 3.73Å; P205-W249 HydrophobicContact CG-CD2 3.7Å; P205-W249 HydrophobicContact CG-CE3 3.97Å; P205-W249 HydrophobicContact CG-CG 3.59Å; L222-W249 HydrophobicContact CD2-CH2 4.03Å; I224-W249 HydrophobicContact CD1-CH2 3.79Å; I224-W249 HydrophobicContact CD1-CZ3 4.16Å; F240-W249 HydrophobicContact CB-CE3 4Å; F240-W249 HydrophobicContact CB-CZ3 3.99Å; C241-W249 CarbonylContact O-C 3.59Å; C241-W249 WeakPolarHBondContact O-CA 3.28Å; Y242-W249 AromaticContact CD2-CD1 3.76Å; Y242-W249 HydrophobicContact CD2-CD2 4.01Å; Y242-W249 AromaticContact CD2-CE2 3.62Å; Y242-W249 HydrophobicContact CD2-CG 4.1Å; Y242-W249 HydrophobicContact CD2-CZ2 4.13Å; Y242-W249 AromaticContact CD2-NE1 3.47Å; Y242-W249 HydrophobicContact CG-CD2 4.29Å; Y242-W249 AromaticContact CG-CE2 3.89Å; Y242-W249 HydrophobicContact CG-CH2 4.41Å; Y242-W249 AromaticContact CG-CZ2 3.96Å; Y242-W249 HydrophobicContact CG-CZ2 3.96Å
250S96.1Very high96Very high61 Ų6147.7 Ų47.743%0.42727%0.269SS..EExtended strand (participates in β ladder)trans-126.5150.3170.462.30000110.7F240 C241F240-S250 WeakPolarHBondContact CA-O 3.29Å; C241-S250 PolarHBondContact N-O 3.14Å; C241-S250 PolarHBondContact O-N 3.09Å
251T95.8Very high95.9Very high102 Ų10248.2 Ų48.263%0.62627%0.273SS*.EExtended strand (participates in β ladder)trans-89137.2173-53.30000108.9A238 G239A238-T251 HydrophobicContact CB-CG2 3.87Å; G239-T251 WeakPolarHBondContact O-CA 3.16Å
252I94.9Very high95.9Very high42 Ų4248.3 Ų48.322%0.21527%0.273CS..EExtended strand (participates in β ladder)trans-125.8163.3174.963.6166.8000110.2Y223 I225 G239 C241 G254 L289Y223-I252 HydrophobicContact CD1-CD1 3.69Å; Y223-I252 HydrophobicContact CE1-CD1 4.03Å; I225-I252 HydrophobicContact CD1-CD1 4.07Å; G239-I252 VanDerWaalsContact C-CG1 3.47Å; G239-I252 PolarHBondContact N-O 2.76Å; G239-I252 PolarHBondContact O-N 3.38Å; C241-I252 HydrophobicContact CB-CG2 4.16Å; I252-G254 PolarHBondContact O-N 2.73Å; I252-L289 HydrophobicContact CD1-CD2 4.34Å
253C93.5Very high95.9Very high80 Ų8049.1 Ų49.154%0.54128%0.278SS..  trans-61.2134.1172.4-61.60000110.3W296C253-W296 PolarHBondContact O-NE1 2.83Å
254G94.9Very high95.9Very high16 Ų1648.6 Ų48.617%0.16528%0.275CS..  trans-84.4174.3166.800000112.4E237 I252 W296E237-G254 VanDerWaalsContact O-CA 3.25Å; E237-G254 WeakPolarHBondContact O-CA 3.37Å; E237-G254 PolarHBondContact O-N 2.79Å; I252-G254 PolarHBondContact O-N 2.73Å; G254-W296 VanDerWaalsContact C-NE1 3.28Å; G254-W296 PolarHBondContact O-NE1 2.89Å
255P95.9Very high96Very high11 Ų1148.7 Ų48.77%0.07128%0.276CS..  trans-58.6149.8179.6-21.732.6000112.3I225 Q257 R259 A273 E287 W296I225-P255 VanDerWaalsContact CG2-CD 3.41Å; I225-P255 HydrophobicContact CG2-CG 3.93Å; P255-Q257 PolarHBondContact O-N 2.81Å; P255-R259 HydrophobicContact CG-CG 4.49Å; P255-A273 HydrophobicContact CG-CB 4.24Å; P255-E287 VanDerWaalsContact CB-OE1 3.3Å; P255-E287 WeakPolarHBondContact CB-OE1 3.47Å; P255-W296 HydrophobicContact CB-CD2 4.19Å; P255-W296 HydrophobicContact CB-CE3 4.42Å; P255-W296 HydrophobicContact CB-CG 4.44Å; P255-W296 HydrophobicContact CG-CD2 4.12Å; P255-W296 HydrophobicContact CG-CE3 4.34Å; P255-W296 HydrophobicContact CG-CH2 4.44Å; P255-W296 HydrophobicContact CG-CZ2 4.26Å; P255-W296 HydrophobicContact CG-CZ3 4.47Å
256Q96.3Very high96.2Very high127 Ų12745.1 Ų45.159%0.59326%0.257SS*.SBendtrans-59.6-39.3175.8-58.8-170.528.100111.1E287 W296 F298Q256-E287 WeakPolarHBondContact CB-OE2 3.34Å; Q256-E287 PolarHBondContact N-OE2 3.02Å; Q256-W296 HydrophobicContact CG-CB 4.34Å; Q256-W296 PolarHBondContact NE2-O 3.05Å; Q256-F298 HydrophobicContact CB-CE2 4.15Å; Q256-F298 HydrophobicContact CB-CZ 4.22Å
257Q96.6Very high96.4Very high58 Ų5840.9 Ų40.927%0.27123%0.234SC..SBendtrans-96.8109.1172.1-171.2171.128.800110.3P255 R259 L283 S285 E287 F298P255-Q257 PolarHBondContact O-N 2.81Å; Q257-R259 PolarHBondContact O-N 2.89Å; Q257-R259 PolarHBondContact O-NE 2.77Å; Q257-R259 VanDerWaalsContact O-NE 3.13Å; Q257-L283 HydrophobicContact CG-CD1 4.14Å; Q257-S285 VanDerWaalsContact OE1-CB 3.32Å; Q257-S285 PolarHBondContact OE1-OG 3.4Å; Q257-E287 WeakPolarHBondContact CB-OE1 3.39Å; Q257-E287 PolarHBondContact N-OE1 3.46Å; Q257-F298 HydrophobicContact CB-CE1 4.33Å; Q257-F298 HydrophobicContact CB-CZ 4.17Å
258L97.1Very high96.3Very high42 Ų4241.1 Ų41.122%0.2223%0.232CC..  trans-51.6132.5173-64.3-174.9000110.8V235 E237 F278V235-L258 HydrophobicContact CB-CB 4.16Å; V235-L258 HydrophobicContact CB-CD1 4.48Å; V235-L258 HydrophobicContact CG1-CB 3.92Å; V235-L258 HydrophobicContact CG1-CD2 4.38Å; E237-L258 HydrophobicContact CB-CD2 3.92Å; E237-L258 HydrophobicContact CG-CD1 4.13Å; E237-L258 HydrophobicContact CG-CD2 3.72Å; L258-F278 HydrophobicContact CB-CD2 3.71Å; L258-F278 HydrophobicContact CB-CE2 3.55Å; L258-F278 HydrophobicContact CB-CZ 4.39Å; L258-F278 HydrophobicContact CD1-CE2 4.03Å; L258-F278 HydrophobicContact CG-CE2 4.38Å; L258-F278 VanDerWaalsContact O-CB 3.29Å; L258-F278 WeakPolarHBondContact O-CB 3.34Å; L258-F278 WeakPolarHBondContact O-CD2 3.46Å; L258-F278 WeakPolarHBondContact O-CG 3.45Å
259R97.4Very high96.2Very high2 Ų238.3 Ų38.31%0.00822%0.217CC..  trans-150.7147.6-174.256.6-176.974.8-147.58.5112.9G227 V235 P255 Q257 F262 A273 G275 K277 L283 S285 E287G227-R259 PolarHBondContact N-O 2.79Å; V235-R259 WeakPolarHBondContact CG1-O 3.31Å; P255-R259 HydrophobicContact CG-CG 4.49Å; Q257-R259 PolarHBondContact O-N 2.89Å; Q257-R259 PolarHBondContact O-NE 2.77Å; Q257-R259 VanDerWaalsContact O-NE 3.13Å; R259-F262 HydrophobicContact CB-CB 4.44Å; R259-F262 HydrophobicContact CB-CD1 4.12Å; R259-F262 HydrophobicContact CB-CG 4.39Å; R259-F262 HydrophobicContact CG-CB 4.28Å; R259-F262 HydrophobicContact CG-CD1 3.58Å; R259-F262 HydrophobicContact CG-CD2 4.24Å; R259-F262 HydrophobicContact CG-CE1 3.85Å; R259-F262 HydrophobicContact CG-CE2 4.46Å; R259-F262 HydrophobicContact CG-CG 3.79Å; R259-F262 HydrophobicContact CG-CZ 4.28Å; R259-A273 PolarHBondContact NH1-O 2.89Å; R259-G275 PolarHBondContact NH1-O 2.95Å; R259-K277 WeakPolarHBondContact CA-O 3.43Å; R259-L283 HydrophobicContact CB-CD1 3.97Å; R259-S285 PolarHBondContact NH1-O 2.95Å; R259-S285 PolarHBondContact NH2-OG 2.96Å; R259-S285 VanDerWaalsContact NH2-OG 3.16Å; R259-E287 IonicContact CZ-OE1 3.61Å; R259-E287 IonicContact NE-OE1 2.63Å; R259-E287 IonicContact NH2-OE1 3.64Å; R259-E287 PolarHBondContact NH2-OE1 3.02Å
260Y96.3Very high96.2Very high2 Ų236 Ų361%0.00821%0.209CC..BIsolated β-bridgetrans-134164167.964.5-91.3000109.7M212 V228 K233 V235 F262 G276 K277 M280M212-Y260 HydrophobicContact CB-CD2 4.37Å; M212-Y260 HydrophobicContact CE-CD2 3.64Å; M212-Y260 HydrophobicContact CE-CE2 3.77Å; M212-Y260 CarbonylContact O-C 3.49Å; M212-Y260 HydrophobicContact SD-CD2 3.98Å; M212-Y260 HydrophobicContact SD-CE2 4.45Å; V228-Y260 HydrophobicContact CG1-CD1 4.01Å; V228-Y260 HydrophobicContact CG1-CD2 4.27Å; V228-Y260 HydrophobicContact CG1-CG 3.74Å; K233-Y260 HydrophobicContact CB-CE1 4.37Å; K233-Y260 HydrophobicContact CD-CE2 4.18Å; V235-Y260 HydrophobicContact CG2-CD1 3.71Å; V235-Y260 HydrophobicContact CG2-CE1 4.36Å; Y260-F262 PolarHBondContact O-N 3.31Å; Y260-G276 CarbonylContact O-C 3.53Å; Y260-G276 WeakPolarHBondContact O-CA 3.35Å; Y260-K277 HydrophobicContact CD1-CB 4.34Å; Y260-K277 WeakPolarHBondContact CD1-O 3.28Å; Y260-K277 HydrophobicContact CD2-CB 3.95Å; Y260-K277 HydrophobicContact CE1-CB 3.92Å; Y260-K277 WeakPolarHBondContact CE1-O 3.25Å; Y260-K277 HydrophobicContact CE2-CB 3.44Å; Y260-K277 VanDerWaalsContact CE2-CB 3.44Å; Y260-K277 HydrophobicContact CE2-CD 3.93Å; Y260-K277 HydrophobicContact CE2-CG 4.27Å; Y260-K277 HydrophobicContact CG-CB 4.37Å; Y260-K277 VanDerWaalsContact CZ-CB 3.43Å; Y260-K277 PolarHBondContact N-O 3.25Å; Y260-K277 PolarHBondContact O-N 2.96Å; Y260-M280 PolarHBondContact OH-N 3.01Å
261S95.7Very high96.3Very high16 Ų1633.1 Ų33.111%0.11219%0.189CC..SBendtrans50.838.3-172.1-76.70000112.4M212 G276 A307 S308M212-S261 WeakPolarHBondContact CE-OG 3.34Å; M212-S261 PolarHBondContact O-N 2.87Å; S261-G276 WeakPolarHBondContact O-CA 3.43Å; S261-A307 CarbonylContact O-C 3.57Å; S261-S308 PolarHBondContact O-N 3.42Å
262F97.1Very high96.4Very high9 Ų928.7 Ų28.74%0.03916%0.161CC..  trans-102.9170.7175.472.4-79000109.5I225 R259 Y260 L264 A273 L274 G275I225-F262 HydrophobicContact CB-CZ 4.03Å; I225-F262 HydrophobicContact CG2-CZ 4.01Å; I225-F262 WeakPolarHBondContact O-CE1 3.49Å; I225-F262 WeakPolarHBondContact O-CZ 3.5Å; R259-F262 HydrophobicContact CB-CB 4.44Å; R259-F262 HydrophobicContact CB-CD1 4.12Å; R259-F262 HydrophobicContact CB-CG 4.39Å; R259-F262 HydrophobicContact CG-CB 4.28Å; R259-F262 HydrophobicContact CG-CD1 3.58Å; R259-F262 HydrophobicContact CG-CD2 4.24Å; R259-F262 HydrophobicContact CG-CE1 3.85Å; R259-F262 HydrophobicContact CG-CE2 4.46Å; R259-F262 HydrophobicContact CG-CG 3.79Å; R259-F262 HydrophobicContact CG-CZ 4.28Å; Y260-F262 PolarHBondContact O-N 3.31Å; F262-L264 HydrophobicContact CE2-CB 4.03Å; F262-L264 HydrophobicContact CE2-CD1 4.12Å; F262-A273 HydrophobicContact CD2-CB 3.9Å; F262-A273 HydrophobicContact CE2-CB 3.78Å; F262-L274 WeakPolarHBondContact CB-O 3.25Å; F262-G275 VanDerWaalsContact CB-O 3.29Å; F262-G275 WeakPolarHBondContact CB-O 3.22Å
263T97.4Very high96.6Very high20 Ų2026.7 Ų26.712%0.12315%0.151CC..EExtended strand (participates in β ladder)trans-106.5129.7177-55.70000109.5I265 L274 V309 S311T263-I265 HydrophobicContact CG2-CG1 4.16Å; T263-L274 HydrophobicContact CG2-CD1 4.37Å; T263-L274 PolarHBondContact N-O 3.43Å; T263-L274 VanDerWaalsContact N-O 3.12Å; T263-L274 PolarHBondContact O-N 3.13Å; T263-V309 PolarHBondContact OG1-N 3.2Å; T263-V309 PolarHBondContact OG1-O 2.84Å; T263-S311 VanDerWaalsContact CG2-OG 3.26Å; T263-S311 WeakPolarHBondContact CG2-OG 3.11Å
264L98.1Very high96.8Very high13 Ų1323 Ų237%0.06813%0.125CC..EExtended strand (participates in β ladder)trans-108.6130.8176.4-172.170.4000108.4A216 I225 F262 L271 Y272 A273 W296A216-L264 HydrophobicContact CB-CB 4.15Å; A216-L264 HydrophobicContact CB-CD2 3.74Å; A216-L264 HydrophobicContact CB-CG 3.65Å; I225-L264 HydrophobicContact CB-CD2 4.17Å; I225-L264 HydrophobicContact CD1-CD1 4.14Å; I225-L264 HydrophobicContact CD1-CD2 3.97Å; I225-L264 HydrophobicContact CG1-CD2 3.91Å; F262-L264 HydrophobicContact CE2-CB 4.03Å; F262-L264 HydrophobicContact CE2-CD1 4.12Å; L264-L271 HydrophobicContact CD1-CB 4.25Å; L264-Y272 CarbonylContact C-O 3.56Å; L264-Y272 WeakPolarHBondContact CA-O 3.48Å; L264-A273 HydrophobicContact CD1-CB 4.39Å; L264-W296 HydrophobicContact CD1-CH2 3.97Å
265I98.1Very high96.9Very high9 Ų922.2 Ų22.25%0.04612%0.118CC..EExtended strand (participates in β ladder)trans-127133178.8-57.6-179.3000108.6T263 L271 Y272 L274 S311 V313 I318T263-I265 HydrophobicContact CG2-CG1 4.16Å; I265-L271 CarbonylContact O-C 3.48Å; I265-L271 VanDerWaalsContact O-CA 3.31Å; I265-L271 WeakPolarHBondContact O-CA 3.48Å; I265-Y272 PolarHBondContact N-O 3.24Å; I265-Y272 PolarHBondContact O-N 2.94Å; I265-L274 HydrophobicContact CD1-CD1 3.46Å; I265-L274 VanDerWaalsContact CD1-CD1 3.46Å; I265-L274 HydrophobicContact CG1-CD1 4.12Å; I265-S311 WeakPolarHBondContact CD1-OG 3.5Å; I265-V313 HydrophobicContact CG2-CG2 3.61Å; I265-I318 HydrophobicContact CD1-CG2 3.54Å; I265-I318 HydrophobicContact CG2-CD1 4.13Å; I265-I318 HydrophobicContact CG2-CG1 4.25Å
266G97.3Very high97Very high18 Ų1821.7 Ų21.719%0.18611%0.114CC..EExtended strand (participates in β ladder)trans-99.3124.9167.800000110C270G266-C270 WeakPolarHBondContact CA-O 3.19Å
267L96.3Very high97Very high14 Ų1418.8 Ų18.87%0.07310%0.1CC..EExtended strand (participates in β ladder)trans-152.4127.3175.5-172.665.9000109.6G269 C270 Y272 V313 N316 I318L267-G269 PolarHBondContact O-N 2.85Å; L267-C270 PolarHBondContact N-O 3.15Å; L267-C270 WeakPolarHBondContact O-CA 3.42Å; L267-C270 VanDerWaalsContact O-CB 3.28Å; L267-C270 WeakPolarHBondContact O-CB 3.28Å; L267-C270 PolarHBondContact O-N 2.83Å; L267-C270 VanDerWaalsContact O-O 3.13Å; L267-Y272 HydrophobicContact CB-CE2 4.27Å; L267-V313 HydrophobicContact CD1-CG1 3.76Å; L267-N316 HydrophobicContact CD1-CB 4.47Å; L267-N316 WeakPolarHBondContact CD1-OD1 3.38Å; L267-I318 HydrophobicContact CB-CD1 4.35Å; L267-I318 HydrophobicContact CB-CG1 4.46Å; L267-I318 HydrophobicContact CD2-CD1 3.93Å; L267-I318 HydrophobicContact CD2-CG1 3.42Å; L267-I318 VanDerWaalsContact CD2-CG1 3.42Å
268E92.6Very high97Very high97 Ų9719 Ų1945%0.45310%0.1SC..THydrogen-bonded Turntrans5056.6171.9-60.1-153.792.100116.3K104 C270 N316K104-E268 VanDerWaalsContact CE-CD 3.49Å; K104-E268 WeakPolarHBondContact CE-OE1 3.11Å; K104-E268 WeakPolarHBondContact CE-OE2 3.17Å; K104-E268 IonicContact NZ-OE1 2.71Å; K104-E268 PolarHBondContact NZ-OE1 2.86Å; K104-E268 IonicContact NZ-OE2 3.9Å; K104-E268 PolarHBondContact NZ-OE2 2.62Å; E268-C270 PolarHBondContact O-N 3.49Å; E268-N316 WeakPolarHBondContact CG-OD1 3.25Å; E268-N316 PolarHBondContact OE2-ND2 3.32Å
269G95.4Very high96.8Very high11 Ų1122.6 Ų22.611%0.11312%0.119CC..THydrogen-bonded Turntrans66.33.4-177.100000114.8L267 Q290 T291L267-G269 PolarHBondContact O-N 2.85Å; G269-Q290 PolarHBondContact O-NE2 3.25Å; G269-T291 PolarHBondContact O-N 2.84Å; G269-T291 PolarHBondContact O-OG1 2.77Å; G269-T291 VanDerWaalsContact O-OG1 3.09Å
270C97.3Very high96.5Very high6 Ų628.6 Ų28.64%0.04115%0.149CC..EExtended strand (participates in β ladder)trans-110.8141.5177.4-73.60000112.2G266 L267 E268 Y272 R288 L289 Q290G266-C270 WeakPolarHBondContact CA-O 3.19Å; L267-C270 PolarHBondContact N-O 3.15Å; L267-C270 WeakPolarHBondContact O-CA 3.42Å; L267-C270 VanDerWaalsContact O-CB 3.28Å; L267-C270 WeakPolarHBondContact O-CB 3.28Å; L267-C270 PolarHBondContact O-N 2.83Å; L267-C270 VanDerWaalsContact O-O 3.13Å; E268-C270 PolarHBondContact O-N 3.49Å; C270-Y272 HydrophobicContact CB-CD2 4.14Å; C270-Y272 HydrophobicContact CB-CE2 3.39Å; C270-R288 HydrophobicContact CB-CG 4.06Å; C270-L289 CarbonylContact C-O 3.49Å; C270-L289 WeakPolarHBondContact CA-O 3.39Å; C270-Q290 PolarHBondContact SG-OE1 2.87Å
271L98.3Very high96.5Very high0 Ų036 Ų360%018%0.181CC..EExtended strand (participates in β ladder)trans-102.3135.6161.3-64.7175.4000109.9A216 L218 Y223 I225 L264 I265 R288 L289 T291 W296A216-L271 HydrophobicContact CB-CD2 4.3Å; L218-L271 HydrophobicContact CB-CD2 4.01Å; L218-L271 HydrophobicContact CD2-CD2 3.88Å; L218-L271 HydrophobicContact CD2-CG 3.97Å; Y223-L271 HydrophobicContact CD1-CD1 3.46Å; Y223-L271 VanDerWaalsContact CD1-CD1 3.46Å; Y223-L271 HydrophobicContact CD2-CD1 4.29Å; Y223-L271 HydrophobicContact CD2-CD2 4.09Å; Y223-L271 HydrophobicContact CE1-CD1 3.89Å; Y223-L271 HydrophobicContact CG-CD1 3.66Å; Y223-L271 HydrophobicContact CG-CD2 4.12Å; Y223-L271 HydrophobicContact CG-CG 4.5Å; I225-L271 HydrophobicContact CD1-CD1 3.96Å; L264-L271 HydrophobicContact CD1-CB 4.25Å; I265-L271 CarbonylContact O-C 3.48Å; I265-L271 VanDerWaalsContact O-CA 3.31Å; I265-L271 WeakPolarHBondContact O-CA 3.48Å; L271-R288 CarbonylContact O-C 3.57Å; L271-R288 VanDerWaalsContact O-CA 3.24Å; L271-R288 WeakPolarHBondContact O-CA 3.44Å; L271-L289 HydrophobicContact CB-CB 4.4Å; L271-L289 HydrophobicContact CD1-CD2 4.31Å; L271-L289 PolarHBondContact N-O 2.88Å; L271-L289 PolarHBondContact O-N 2.89Å; L271-T291 HydrophobicContact CG-CG2 4.45Å; L271-W296 HydrophobicContact CB-CH2 3.79Å; L271-W296 HydrophobicContact CB-CZ2 4.4Å; L271-W296 HydrophobicContact CB-CZ3 4.48Å
272Y98.4Very high96.5Very high10 Ų1038.1 Ų38.14%0.03919%0.191CC..EExtended strand (participates in β ladder)trans-117.7120.9176.9-62.4-93.5000110.2L264 I265 L267 C270 E287 R288 I318 Y334L264-Y272 CarbonylContact C-O 3.56Å; L264-Y272 WeakPolarHBondContact CA-O 3.48Å; I265-Y272 PolarHBondContact N-O 3.24Å; I265-Y272 PolarHBondContact O-N 2.94Å; L267-Y272 HydrophobicContact CB-CE2 4.27Å; C270-Y272 HydrophobicContact CB-CD2 4.14Å; C270-Y272 HydrophobicContact CB-CE2 3.39Å; Y272-E287 CarbonylContact C-O 3.59Å; Y272-E287 WeakPolarHBondContact CA-O 3.31Å; Y272-R288 HydrophobicContact CD1-CB 4.11Å; Y272-R288 HydrophobicContact CD1-CG 3.99Å; Y272-R288 HydrophobicContact CE1-CB 4.08Å; Y272-R288 HydrophobicContact CE1-CG 3.61Å; Y272-I318 HydrophobicContact CD1-CD1 4.38Å; Y272-I318 HydrophobicContact CD2-CD1 3.52Å; Y272-I318 HydrophobicContact CE2-CD1 3.71Å; Y272-I318 HydrophobicContact CG-CD1 3.88Å; Y272-Y334 HydrophobicContact CD1-CE1 4.23Å; Y272-Y334 HydrophobicContact CE1-CD1 4.15Å; Y272-Y334 AromaticContact CE1-CE1 3.59Å; Y272-Y334 HydrophobicContact CE1-CE1 3.59Å
273A98.3Very high96.6Very high0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-101.9105.9175.900000109.8P255 R259 F262 L264 V286 E287 W296P255-A273 HydrophobicContact CG-CB 4.24Å; R259-A273 PolarHBondContact NH1-O 2.89Å; F262-A273 HydrophobicContact CD2-CB 3.9Å; F262-A273 HydrophobicContact CE2-CB 3.78Å; L264-A273 HydrophobicContact CD1-CB 4.39Å; A273-V286 WeakPolarHBondContact O-CA 3.38Å; A273-E287 PolarHBondContact N-O 3.45Å; A273-E287 PolarHBondContact O-N 2.85Å; A273-E287 VanDerWaalsContact O-N 3.08Å; A273-W296 HydrophobicContact CB-CE3 4.44Å; A273-W296 HydrophobicContact CB-CH2 4.06Å; A273-W296 HydrophobicContact CB-CZ3 3.64Å
274L98.4Very high96.6Very high1 Ų139.3 Ų39.31%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-101118.4-171.1-55.7170.8000111.7F262 T263 I265 V286 L302 I320 W341F262-L274 WeakPolarHBondContact CB-O 3.25Å; T263-L274 HydrophobicContact CG2-CD1 4.37Å; T263-L274 PolarHBondContact N-O 3.43Å; T263-L274 VanDerWaalsContact N-O 3.12Å; T263-L274 PolarHBondContact O-N 3.13Å; I265-L274 HydrophobicContact CD1-CD1 3.46Å; I265-L274 VanDerWaalsContact CD1-CD1 3.46Å; I265-L274 HydrophobicContact CG1-CD1 4.12Å; L274-V286 HydrophobicContact CD2-CB 4.24Å; L274-V286 HydrophobicContact CD2-CG1 3.48Å; L274-V286 VanDerWaalsContact CD2-CG1 3.48Å; L274-V286 HydrophobicContact CD2-CG2 3.71Å; L274-L302 HydrophobicContact CD2-CD2 4.35Å; L274-I320 HydrophobicContact CD1-CG2 3.92Å; L274-W341 HydrophobicContact CD1-CH2 4.44Å; L274-W341 HydrophobicContact CD2-CH2 3.78Å; L274-W341 HydrophobicContact CD2-CZ2 3.6Å
275G97.8Very high96.6Very high0 Ų039.5 Ų39.50%020%0.203CC..EExtended strand (participates in β ladder)trans57.4-137.4170.900000113.3R259 F262 L283 S285R259-G275 PolarHBondContact NH1-O 2.95Å; F262-G275 VanDerWaalsContact CB-O 3.29Å; F262-G275 WeakPolarHBondContact CB-O 3.22Å; G275-L283 WeakPolarHBondContact CA-O 3.44Å; G275-S285 PolarHBondContact N-O 3.02Å
276G97.2Very high96.6Very high0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans102.5-154.5-18000000113.4Y260 S261 D282 L283 V306Y260-G276 CarbonylContact O-C 3.53Å; Y260-G276 WeakPolarHBondContact O-CA 3.35Å; S261-G276 WeakPolarHBondContact O-CA 3.43Å; G276-D282 CarbonylContact O-C 3.56Å; G276-D282 WeakPolarHBondContact O-CA 3.4Å; G276-L283 PolarHBondContact O-N 3.14Å; G276-V306 PolarHBondContact N-O 3.15Å
277K97.1Very high96.7Very high67 Ų6738.3 Ų38.329%0.29119%0.192SC..EExtended strand (participates in β ladder)trans-131.8144.9-177.7-75.6175174.6173.30111.6R259 Y260 K281 D282 A307R259-K277 WeakPolarHBondContact CA-O 3.43Å; Y260-K277 HydrophobicContact CD1-CB 4.34Å; Y260-K277 WeakPolarHBondContact CD1-O 3.28Å; Y260-K277 HydrophobicContact CD2-CB 3.95Å; Y260-K277 HydrophobicContact CE1-CB 3.92Å; Y260-K277 WeakPolarHBondContact CE1-O 3.25Å; Y260-K277 HydrophobicContact CE2-CB 3.44Å; Y260-K277 VanDerWaalsContact CE2-CB 3.44Å; Y260-K277 HydrophobicContact CE2-CD 3.93Å; Y260-K277 HydrophobicContact CE2-CG 4.27Å; Y260-K277 HydrophobicContact CG-CB 4.37Å; Y260-K277 VanDerWaalsContact CZ-CB 3.43Å; Y260-K277 PolarHBondContact N-O 3.25Å; Y260-K277 PolarHBondContact O-N 2.96Å; K277-K281 CarbonylContact C-O 3.53Å; K277-K281 VanDerWaalsContact CA-O 3.22Å; K277-K281 WeakPolarHBondContact CA-O 3.47Å; K277-D282 WeakPolarHBondContact CE-OD1 3.42Å; K277-D282 WeakPolarHBondContact CG-OD1 3.43Å; K277-D282 IonicContact NZ-OD1 3.3Å; K277-A307 HydrophobicContact CD-CB 4Å; K277-A307 HydrophobicContact CG-CB 3.85Å
278F96.2Very high96.7Very high62 Ų6241.7 Ų41.727%0.27220%0.204SC..EExtended strand (participates in β ladder)trans-142.2133.3165.4-176.5-114.4000109.6V235 L258 M280 K281 L283V235-F278 HydrophobicContact CG2-CD2 4.12Å; V235-F278 HydrophobicContact CG2-CE2 4.33Å; L258-F278 HydrophobicContact CB-CD2 3.71Å; L258-F278 HydrophobicContact CB-CE2 3.55Å; L258-F278 HydrophobicContact CB-CZ 4.39Å; L258-F278 HydrophobicContact CD1-CE2 4.03Å; L258-F278 HydrophobicContact CG-CE2 4.38Å; L258-F278 VanDerWaalsContact O-CB 3.29Å; L258-F278 WeakPolarHBondContact O-CB 3.34Å; L258-F278 WeakPolarHBondContact O-CD2 3.46Å; L258-F278 WeakPolarHBondContact O-CG 3.45Å; F278-M280 PolarHBondContact O-N 2.98Å; F278-M280 VanDerWaalsContact O-N 3.16Å; F278-K281 PolarHBondContact N-O 3.31Å; F278-K281 PolarHBondContact O-N 2.72Å; F278-L283 HydrophobicContact CB-CD1 4.12Å; F278-L283 HydrophobicContact CB-CD2 4.32Å; F278-L283 HydrophobicContact CB-CG 4.48Å
279N93.2Very high97Very high118 Ų11837.4 Ų37.463%0.63118%0.184SC*.THydrogen-bonded Turntrans46.546.2-176.9-70.8-14.7000113.2K281N279-K281 PolarHBondContact O-N 3.02Å; N279-K281 VanDerWaalsContact O-N 3.13Å
280M90.3Very high96.9Very high128 Ų12839.2 Ų39.263%0.63119%0.19SC*.THydrogen-bonded Turntrans64.28.5-179.2-58.2-65.6-69.600116K233 Y260 F278K233-M280 HydrophobicContact CD-SD 3.73Å; K233-M280 PolarHBondContact NZ-SD 2.88Å; Y260-M280 PolarHBondContact OH-N 3.01Å; F278-M280 PolarHBondContact O-N 2.98Å; F278-M280 VanDerWaalsContact O-N 3.16Å
281K95.7Very high96.7Very high158 Ų15841.3 Ų41.369%0.68720%0.202SC*.EExtended strand (participates in β ladder)trans-102.9137.2174.8-63.1-178.9-179.9-179.50110.6K277 F278 N279K277-K281 CarbonylContact C-O 3.53Å; K277-K281 VanDerWaalsContact CA-O 3.22Å; K277-K281 WeakPolarHBondContact CA-O 3.47Å; F278-K281 PolarHBondContact N-O 3.31Å; F278-K281 PolarHBondContact O-N 2.72Å; N279-K281 PolarHBondContact O-N 3.02Å; N279-K281 VanDerWaalsContact O-N 3.13Å
282D97.1Very high96.3Very high60 Ų6046 Ų4632%0.32124%0.235SC..EExtended strand (participates in β ladder)trans-71.8142.1173.1-68.8-37.4000110.6G276 K277 Q305G276-D282 CarbonylContact O-C 3.56Å; G276-D282 WeakPolarHBondContact O-CA 3.4Å; K277-D282 WeakPolarHBondContact CE-OD1 3.42Å; K277-D282 WeakPolarHBondContact CG-OD1 3.43Å; K277-D282 IonicContact NZ-OD1 3.3Å; D282-Q305 HydrophobicContact CB-CB 3.81Å; D282-Q305 PolarHBondContact O-OE1 2.92Å
283L97.9Very high95.7Very high17 Ų1752 Ų529%0.08926%0.263CS..EExtended strand (participates in β ladder)trans-107.7142.2-179.3-57.5-179.7000109.6Q257 R259 G275 G276 F278 V306Q257-L283 HydrophobicContact CG-CD1 4.14Å; R259-L283 HydrophobicContact CB-CD1 3.97Å; G275-L283 WeakPolarHBondContact CA-O 3.44Å; G276-L283 PolarHBondContact O-N 3.14Å; F278-L283 HydrophobicContact CB-CD1 4.12Å; F278-L283 HydrophobicContact CB-CD2 4.32Å; F278-L283 HydrophobicContact CB-CG 4.48Å; L283-V306 PolarHBondContact O-N 2.93Å; L283-V306 VanDerWaalsContact O-N 3.15Å
284S97.8Very high95.1Very high36 Ų3653.9 Ų53.925%0.25228%0.283SS..EExtended strand (participates in β ladder)trans-102.6-11164.255.70000112.1A301 L302 C304S284-A301 CarbonylContact O-C 3.56Å; S284-A301 WeakPolarHBondContact O-CA 3.48Å; S284-A301 WeakPolarHBondContact O-CB 3.09Å; S284-L302 WeakPolarHBondContact O-CB 3.43Å; S284-L302 PolarHBondContact O-N 2.93Å; S284-C304 WeakPolarHBondContact CB-O 3.38Å
285S98.4Very high94.7Very high18 Ų1857.4 Ų57.413%0.12631%0.307CS..EExtended strand (participates in β ladder)trans-63.1140.7-176600000111.9Q257 R259 G275Q257-S285 VanDerWaalsContact OE1-CB 3.32Å; Q257-S285 PolarHBondContact OE1-OG 3.4Å; R259-S285 PolarHBondContact NH1-O 2.95Å; R259-S285 PolarHBondContact NH2-OG 2.96Å; R259-S285 VanDerWaalsContact NH2-OG 3.16Å; G275-S285 PolarHBondContact N-O 3.02Å
286V98.6Very high94.7Very high1 Ų157.8 Ų57.81%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-116.9135.4171-177.50000108.2A273 L274 V299 S300 L302 W341A273-V286 WeakPolarHBondContact O-CA 3.38Å; L274-V286 HydrophobicContact CD2-CB 4.24Å; L274-V286 HydrophobicContact CD2-CG1 3.48Å; L274-V286 VanDerWaalsContact CD2-CG1 3.48Å; L274-V286 HydrophobicContact CD2-CG2 3.71Å; V286-V299 HydrophobicContact CB-CG2 3.73Å; V286-V299 HydrophobicContact CG1-CG2 3.39Å; V286-V299 PolarHBondContact O-N 3.17Å; V286-S300 WeakPolarHBondContact CB-O 3.27Å; V286-S300 WeakPolarHBondContact CG2-O 3.29Å; V286-L302 HydrophobicContact CG2-CD2 4.06Å; V286-L302 HydrophobicContact CG2-CG 3.79Å; V286-W341 HydrophobicContact CG2-CZ2 4.2Å
287E98.3Very high94.7Very high0 Ų059.2 Ų59.20%032%0.323CS..EExtended strand (participates in β ladder)trans-121.2145.3172.7-65.1-179.5-112.400110.1P255 Q256 Q257 R259 Y272 A273 W296 G297 F298P255-E287 VanDerWaalsContact CB-OE1 3.3Å; P255-E287 WeakPolarHBondContact CB-OE1 3.47Å; Q256-E287 WeakPolarHBondContact CB-OE2 3.34Å; Q256-E287 PolarHBondContact N-OE2 3.02Å; Q257-E287 WeakPolarHBondContact CB-OE1 3.39Å; Q257-E287 PolarHBondContact N-OE1 3.46Å; R259-E287 IonicContact CZ-OE1 3.61Å; R259-E287 IonicContact NE-OE1 2.63Å; R259-E287 IonicContact NH2-OE1 3.64Å; R259-E287 PolarHBondContact NH2-OE1 3.02Å; Y272-E287 CarbonylContact C-O 3.59Å; Y272-E287 WeakPolarHBondContact CA-O 3.31Å; A273-E287 PolarHBondContact N-O 3.45Å; A273-E287 PolarHBondContact O-N 2.85Å; A273-E287 VanDerWaalsContact O-N 3.08Å; E287-W296 HydrophobicContact CB-CE3 3.64Å; E287-W296 HydrophobicContact CB-CZ3 4.27Å; E287-W296 WeakPolarHBondContact O-CZ3 3.46Å; E287-G297 CarbonylContact C-O 3.54Å; E287-G297 VanDerWaalsContact CA-O 3.24Å; E287-G297 WeakPolarHBondContact CA-O 3.49Å; E287-F298 HydrophobicContact CG-CD1 3.54Å; E287-F298 HydrophobicContact CG-CE1 3.53Å; E287-F298 HydrophobicContact CG-CG 4.23Å; E287-F298 HydrophobicContact CG-CZ 4.21Å
288R97.8Very high94.8Very high86 Ų8661.1 Ų61.133%0.32533%0.332SS..EExtended strand (participates in β ladder)trans-118.6134.9177.1-174-17375.1-175.24.4109.7C270 L271 Y272 W296 G297 V299C270-R288 HydrophobicContact CB-CG 4.06Å; L271-R288 CarbonylContact O-C 3.57Å; L271-R288 VanDerWaalsContact O-CA 3.24Å; L271-R288 WeakPolarHBondContact O-CA 3.44Å; Y272-R288 HydrophobicContact CD1-CB 4.11Å; Y272-R288 HydrophobicContact CD1-CG 3.99Å; Y272-R288 HydrophobicContact CE1-CB 4.08Å; Y272-R288 HydrophobicContact CE1-CG 3.61Å; R288-W296 CarbonylContact O-C 3.52Å; R288-W296 WeakPolarHBondContact O-CA 3.5Å; R288-G297 PolarHBondContact N-O 3.24Å; R288-G297 PolarHBondContact O-N 2.92Å; R288-V299 HydrophobicContact CB-CG1 3.77Å; R288-V299 HydrophobicContact CB-CG2 4.43Å
289L96.9Very high94.9Very high7 Ų759.2 Ų59.24%0.03733%0.325CS..EExtended strand (participates in β ladder)trans-116.5115.1167.9169.266.9000108.8I252 C270 L271 T291 G294 S295 W296I252-L289 HydrophobicContact CD1-CD2 4.34Å; C270-L289 CarbonylContact C-O 3.49Å; C270-L289 WeakPolarHBondContact CA-O 3.39Å; L271-L289 HydrophobicContact CB-CB 4.4Å; L271-L289 HydrophobicContact CD1-CD2 4.31Å; L271-L289 PolarHBondContact N-O 2.88Å; L271-L289 PolarHBondContact O-N 2.89Å; L289-T291 PolarHBondContact O-N 2.94Å; L289-G294 VanDerWaalsContact CD1-C 3.44Å; L289-S295 VanDerWaalsContact CD1-N 3.28Å; L289-S295 WeakPolarHBondContact CD1-O 3.38Å; L289-W296 HydrophobicContact CB-CD2 3.55Å; L289-W296 HydrophobicContact CB-CE3 3.75Å; L289-W296 HydrophobicContact CB-CG 4.05Å; L289-W296 HydrophobicContact CB-CH2 3.93Å; L289-W296 HydrophobicContact CB-CZ2 3.69Å; L289-W296 HydrophobicContact CB-CZ3 3.95Å; L289-W296 HydrophobicContact CD2-CZ2 3.82Å; L289-W296 HydrophobicContact CG-CZ2 4.4Å
290Q95.3Very high95.1Very high49 Ų4955.1 Ų55.123%0.22931%0.306CS..EExtended strand (participates in β ladder)trans-75.5118.5163.1-175.673.539.300107.6G269 C270 S292 E293 G294G269-Q290 PolarHBondContact O-NE2 3.25Å; C270-Q290 PolarHBondContact SG-OE1 2.87Å; Q290-S292 VanDerWaalsContact CG-OG 3.24Å; Q290-S292 WeakPolarHBondContact CG-OG 3.44Å; Q290-S292 PolarHBondContact O-N 3.46Å; Q290-S292 VanDerWaalsContact O-N 3.14Å; Q290-E293 HydrophobicContact CB-CB 4.14Å; Q290-E293 HydrophobicContact CB-CG 4Å; Q290-E293 HydrophobicContact CG-CB 4.46Å; Q290-E293 HydrophobicContact CG-CG 3.91Å; Q290-E293 PolarHBondContact O-N 2.77Å; Q290-G294 PolarHBondContact O-N 2.94Å; Q290-G294 VanDerWaalsContact O-N 3.13Å
291T91.8Very high95.5Very high50 Ų5051.4 Ų51.431%0.30730%0.295SS..THydrogen-bonded Turntrans-66.7-19.6-172530000113.8L218 Y223 G269 L271 L289L218-T291 HydrophobicContact CD2-CG2 3.59Å; Y223-T291 HydrophobicContact CE1-CG2 4.43Å; G269-T291 PolarHBondContact O-N 2.84Å; G269-T291 PolarHBondContact O-OG1 2.77Å; G269-T291 VanDerWaalsContact O-OG1 3.09Å; L271-T291 HydrophobicContact CG-CG2 4.45Å; L289-T291 PolarHBondContact O-N 2.94Å
292S90.6Very high95.6Very high98 Ų9844.2 Ų44.269%0.68526%0.264SS*.THydrogen-bonded Turntrans-78.7-25.2173.1530000113.8Q290Q290-S292 VanDerWaalsContact CG-OG 3.24Å; Q290-S292 WeakPolarHBondContact CG-OG 3.44Å; Q290-S292 PolarHBondContact O-N 3.46Å; Q290-S292 VanDerWaalsContact O-N 3.14Å
293E85.3Confident95.5Very high137 Ų13745 Ų4564%0.6427%0.272SS*.THydrogen-bonded Turntrans-95.7-26.9-176.5-63.2175.2-176.400112.6Q290 S295Q290-E293 HydrophobicContact CB-CB 4.14Å; Q290-E293 HydrophobicContact CB-CG 4Å; Q290-E293 HydrophobicContact CG-CB 4.46Å; Q290-E293 HydrophobicContact CG-CG 3.91Å; Q290-E293 PolarHBondContact O-N 2.77Å; E293-S295 VanDerWaalsContact C-N 3.34Å; E293-S295 PolarHBondContact O-N 2.64Å
294G85.3Confident95.3Very high39 Ų3946.8 Ų46.840%0.40229%0.286SS..  trans795.4169.500000116.1L289 Q290L289-G294 VanDerWaalsContact CD1-C 3.44Å; Q290-G294 PolarHBondContact O-N 2.94Å; Q290-G294 VanDerWaalsContact O-N 3.13Å
295S91.1Very high95.2Very high74 Ų7451.2 Ų51.252%0.51730%0.303SS..  trans-125.3143.8175.869.50000113L289 E293L289-S295 VanDerWaalsContact CD1-N 3.28Å; L289-S295 WeakPolarHBondContact CD1-O 3.38Å; E293-S295 VanDerWaalsContact C-N 3.34Å; E293-S295 PolarHBondContact O-N 2.64Å
296W97.1Very high95Very high9 Ų951.8 Ų51.83%0.03431%0.305CS..EExtended strand (participates in β ladder)trans-80.5139.5174.4-70.985000110.3I225 C253 G254 P255 Q256 L264 L271 A273 E287 R288 L289I225-W296 HydrophobicContact CD1-CH2 4.06Å; I225-W296 HydrophobicContact CD1-CZ2 3.47Å; I225-W296 VanDerWaalsContact CD1-CZ2 3.47Å; C253-W296 PolarHBondContact O-NE1 2.83Å; G254-W296 VanDerWaalsContact C-NE1 3.28Å; G254-W296 PolarHBondContact O-NE1 2.89Å; P255-W296 HydrophobicContact CB-CD2 4.19Å; P255-W296 HydrophobicContact CB-CE3 4.42Å; P255-W296 HydrophobicContact CB-CG 4.44Å; P255-W296 HydrophobicContact CG-CD2 4.12Å; P255-W296 HydrophobicContact CG-CE3 4.34Å; P255-W296 HydrophobicContact CG-CH2 4.44Å; P255-W296 HydrophobicContact CG-CZ2 4.26Å; P255-W296 HydrophobicContact CG-CZ3 4.47Å; Q256-W296 HydrophobicContact CG-CB 4.34Å; Q256-W296 PolarHBondContact NE2-O 3.05Å; L264-W296 HydrophobicContact CD1-CH2 3.97Å; L271-W296 HydrophobicContact CB-CH2 3.79Å; L271-W296 HydrophobicContact CB-CZ2 4.4Å; L271-W296 HydrophobicContact CB-CZ3 4.48Å; A273-W296 HydrophobicContact CB-CE3 4.44Å; A273-W296 HydrophobicContact CB-CH2 4.06Å; A273-W296 HydrophobicContact CB-CZ3 3.64Å; E287-W296 HydrophobicContact CB-CE3 3.64Å; E287-W296 HydrophobicContact CB-CZ3 4.27Å; E287-W296 WeakPolarHBondContact O-CZ3 3.46Å; R288-W296 CarbonylContact O-C 3.52Å; R288-W296 WeakPolarHBondContact O-CA 3.5Å; L289-W296 HydrophobicContact CB-CD2 3.55Å; L289-W296 HydrophobicContact CB-CE3 3.75Å; L289-W296 HydrophobicContact CB-CG 4.05Å; L289-W296 HydrophobicContact CB-CH2 3.93Å; L289-W296 HydrophobicContact CB-CZ2 3.69Å; L289-W296 HydrophobicContact CB-CZ3 3.95Å; L289-W296 HydrophobicContact CD2-CZ2 3.82Å; L289-W296 HydrophobicContact CG-CZ2 4.4Å
297G97.2Very high94.7Very high30 Ų3052.9 Ų52.931%0.30931%0.314SS..EExtended strand (participates in β ladder)trans-130.4148.5172.300000111.5E287 R288E287-G297 CarbonylContact C-O 3.54Å; E287-G297 VanDerWaalsContact CA-O 3.24Å; E287-G297 WeakPolarHBondContact CA-O 3.49Å; R288-G297 PolarHBondContact N-O 3.24Å; R288-G297 PolarHBondContact O-N 2.92Å
298F98.3Very high94.4Very high107 Ų10756.5 Ų56.547%0.46934%0.34SS..EExtended strand (participates in β ladder)trans-72.3142.2174.2-70.2-77.9000111.1Q256 Q257 E287Q256-F298 HydrophobicContact CB-CE2 4.15Å; Q256-F298 HydrophobicContact CB-CZ 4.22Å; Q257-F298 HydrophobicContact CB-CE1 4.33Å; Q257-F298 HydrophobicContact CB-CZ 4.17Å; E287-F298 HydrophobicContact CG-CD1 3.54Å; E287-F298 HydrophobicContact CG-CE1 3.53Å; E287-F298 HydrophobicContact CG-CG 4.23Å; E287-F298 HydrophobicContact CG-CZ 4.21Å
299V98.3Very high94.2Very high21 Ų2152.7 Ų52.713%0.12733%0.326CS..EExtended strand (participates in β ladder)trans-131.1-179.3172.7-61.30000108.9V286 R288 A301 Y334 D339V286-V299 HydrophobicContact CB-CG2 3.73Å; V286-V299 HydrophobicContact CG1-CG2 3.39Å; V286-V299 PolarHBondContact O-N 3.17Å; R288-V299 HydrophobicContact CB-CG1 3.77Å; R288-V299 HydrophobicContact CB-CG2 4.43Å; V299-A301 PolarHBondContact O-N 3.33Å; V299-A301 VanDerWaalsContact O-N 3.16Å; V299-Y334 WeakPolarHBondContact CB-OH 3.46Å; V299-D339 WeakPolarHBondContact CB-OD1 3.31Å
300S98.2Very high94Very high33 Ų3353.6 Ų53.623%0.23133%0.332CS..  trans-43.7120.6-178.2-143.30000112.9V286 D339 W341V286-S300 WeakPolarHBondContact CB-O 3.27Å; V286-S300 WeakPolarHBondContact CG2-O 3.29Å; S300-D339 WeakPolarHBondContact CB-O 3.36Å; S300-D339 VanDerWaalsContact CB-OD1 3.3Å; S300-D339 WeakPolarHBondContact CB-OD1 3.37Å; S300-D339 VanDerWaalsContact N-CG 3.34Å; S300-D339 PolarHBondContact N-OD1 3.18Å; S300-D339 PolarHBondContact N-OD2 3.41Å; S300-D339 VanDerWaalsContact N-OD2 3.16Å; S300-D339 PolarHBondContact OG-O 2.98Å; S300-W341 PolarHBondContact O-NE1 3.44Å
301A98.3Very high94Very high49 Ų4952.6 Ų52.641%0.40533%0.33SS..  trans-64.9152177.600000111.2S284 V299 W341S284-A301 CarbonylContact O-C 3.56Å; S284-A301 WeakPolarHBondContact O-CA 3.48Å; S284-A301 WeakPolarHBondContact O-CB 3.09Å; V299-A301 PolarHBondContact O-N 3.33Å; V299-A301 VanDerWaalsContact O-N 3.16Å; A301-W341 PolarHBondContact O-NE1 2.83Å
302L97.8Very high94.3Very high8 Ų850.6 Ų50.64%0.04232%0.319CS..  trans-57.7148.6171.5-63.7172.3000110.7L274 S284 V286 C304 V306 V309 I320 W341L274-L302 HydrophobicContact CD2-CD2 4.35Å; S284-L302 WeakPolarHBondContact O-CB 3.43Å; S284-L302 PolarHBondContact O-N 2.93Å; V286-L302 HydrophobicContact CG2-CD2 4.06Å; V286-L302 HydrophobicContact CG2-CG 3.79Å; L302-C304 WeakPolarHBondContact CB-O 3.44Å; L302-C304 PolarHBondContact O-N 3.28Å; L302-V306 HydrophobicContact CD1-CG1 3.68Å; L302-V309 HydrophobicContact CD1-CG2 3.85Å; L302-I320 HydrophobicContact CD2-CD1 3.5Å; L302-W341 HydrophobicContact CD2-CH2 4.07Å; L302-W341 HydrophobicContact CD2-CZ2 3.65Å
303P95.2Very high94.6Very high75 Ų7548.7 Ų48.749%0.48730%0.303SS..SBendtrans-55.8-23176.3-27.333.6000115.1L322 W341P303-L322 HydrophobicContact CB-CD1 4.06Å; P303-L322 HydrophobicContact CG-CD1 3.92Å; P303-W341 HydrophobicContact CG-CB 4.3Å
304C93.8Very high95Very high55 Ų5542.4 Ų42.437%0.37228%0.275SS..SBendtrans-146.4165.8174.364.50000111.5S284 L302S284-C304 WeakPolarHBondContact CB-O 3.38Å; L302-C304 WeakPolarHBondContact CB-O 3.44Å; L302-C304 PolarHBondContact O-N 3.28Å
305Q95.4Very high95.4Very high129 Ų12941.7 Ų41.760%0.60326%0.261SS*.  trans-76126171.9-66.3173.83.600109.3D282D282-Q305 HydrophobicContact CB-CB 3.81Å; D282-Q305 PolarHBondContact O-OE1 2.92Å
306V94.6Very high95.5Very high31 Ų3140.1 Ų40.119%0.18825%0.247CC..  trans-157140.7-174.253.30000111.3G276 L283 L302 V309 L322G276-V306 PolarHBondContact N-O 3.15Å; L283-V306 PolarHBondContact O-N 2.93Å; L283-V306 VanDerWaalsContact O-N 3.15Å; L302-V306 HydrophobicContact CD1-CG1 3.68Å; V306-V309 HydrophobicContact CB-CG2 4.29Å; V306-V309 HydrophobicContact CG1-CG2 3.41Å; V306-V309 VanDerWaalsContact CG1-CG2 3.41Å; V306-V309 HydrophobicContact CG2-CG2 4.06Å; V306-L322 HydrophobicContact CB-CD2 4.49Å; V306-L322 HydrophobicContact CG1-CD2 3.81Å; V306-L322 HydrophobicContact CG2-CD2 4.48Å
307A93.4Very high95.5Very high23 Ų2342.4 Ų42.419%0.1926%0.255CS..SBendtrans-102.4151.7169.600000110.7S261 K277 V309S261-A307 CarbonylContact O-C 3.57Å; K277-A307 HydrophobicContact CD-CB 4Å; K277-A307 HydrophobicContact CG-CB 3.85Å; A307-V309 PolarHBondContact O-N 3.37Å
308S90.5Very high95.5Very high76 Ų7641 Ų4153%0.53124%0.241SC..SBendtrans52.551.4178-58.10000112.2S261 V310S261-S308 PolarHBondContact O-N 3.42Å; S308-V310 PolarHBondContact O-N 3.44Å
309V93.4Very high95.5Very high6 Ų636 Ų364%0.03622%0.219CC..  trans-56.3125.1178.3-174.60000109.9T263 L302 V306 A307 S311 I320 L322T263-V309 PolarHBondContact OG1-N 3.2Å; T263-V309 PolarHBondContact OG1-O 2.84Å; L302-V309 HydrophobicContact CD1-CG2 3.85Å; V306-V309 HydrophobicContact CB-CG2 4.29Å; V306-V309 HydrophobicContact CG1-CG2 3.41Å; V306-V309 VanDerWaalsContact CG1-CG2 3.41Å; V306-V309 HydrophobicContact CG2-CG2 4.06Å; A307-V309 PolarHBondContact O-N 3.37Å; V309-S311 PolarHBondContact O-N 3.4Å; V309-I320 HydrophobicContact CG1-CB 3.72Å; V309-I320 HydrophobicContact CG1-CD1 4.37Å; V309-I320 HydrophobicContact CG1-CG2 3.8Å; V309-L322 HydrophobicContact CG1-CD2 4.31Å
310V93.9Very high95.5Very high27 Ų2735 Ų3516%0.16421%0.213CC..EExtended strand (participates in β ladder)trans-72.7128.5172.7174.60000108S308 I320 C321 L355 Y356 M357S308-V310 PolarHBondContact O-N 3.44Å; V310-I320 CarbonylContact O-C 3.49Å; V310-I320 VanDerWaalsContact O-CA 3.26Å; V310-I320 WeakPolarHBondContact O-CA 3.27Å; V310-C321 HydrophobicContact CB-CB 4.19Å; V310-C321 HydrophobicContact CG1-CB 4.34Å; V310-C321 PolarHBondContact O-N 2.93Å; V310-L355 WeakPolarHBondContact CG2-O 3.5Å; V310-Y356 VanDerWaalsContact CG1-C 3.49Å; V310-M357 HydrophobicContact CG1-CB 3.72Å
311S95.6Very high95.2Very high27 Ų2733.9 Ų33.919%0.18921%0.205CC..EExtended strand (participates in β ladder)trans-136.6162179.270.40000112.4T263 I265 V309 F319T263-S311 VanDerWaalsContact CG2-OG 3.26Å; T263-S311 WeakPolarHBondContact CG2-OG 3.11Å; I265-S311 WeakPolarHBondContact CD1-OG 3.5Å; V309-S311 PolarHBondContact O-N 3.4Å; S311-F319 CarbonylContact C-O 3.57Å; S311-F319 WeakPolarHBondContact CA-O 3.32Å; S311-F319 WeakPolarHBondContact CB-O 3.38Å
312A97Very high94.9Very high9 Ų931.9 Ų31.97%0.07419%0.188CC..EExtended strand (participates in β ladder)trans-148.5156.5166.900000110F319 M357 L364A312-F319 PolarHBondContact N-O 2.86Å; A312-F319 PolarHBondContact O-N 3.3Å; A312-M357 HydrophobicContact CB-CB 4.06Å; A312-M357 HydrophobicContact CB-CE 3.75Å; A312-M357 HydrophobicContact CB-CG 3.66Å; A312-M357 HydrophobicContact CB-SD 4.27Å; A312-L364 HydrophobicContact CB-CD2 4.41Å
313V96.1Very high94.5Very high57 Ų5739.1 Ų39.135%0.34521%0.214SC..EExtended strand (participates in β ladder)trans-109.2129.2168.41760000108.2I265 L267 R317I265-V313 HydrophobicContact CG2-CG2 3.61Å; L267-V313 HydrophobicContact CD1-CG1 3.76Å; V313-R317 VanDerWaalsContact CA-O 3.29Å; V313-R317 WeakPolarHBondContact CA-O 3.5Å
314A95.1Very high93.9Very high6 Ų644 Ų445%0.0522%0.223CC..EExtended strand (participates in β ladder)trans-143.3139.9173.600000109.3N316 R317 F319 L364 L385A314-N316 PolarHBondContact O-N 2.77Å; A314-N316 VanDerWaalsContact O-N 3.09Å; A314-R317 PolarHBondContact N-O 2.97Å; A314-R317 VanDerWaalsContact N-O 3.16Å; A314-R317 WeakPolarHBondContact O-CB 3.29Å; A314-R317 PolarHBondContact O-N 2.76Å; A314-F319 HydrophobicContact CB-CD2 4.39Å; A314-F319 HydrophobicContact CB-CE2 4.05Å; A314-L364 HydrophobicContact CB-CD2 3.65Å; A314-L385 HydrophobicContact CB-CD1 4.1Å
315M93.4Very high93.2Very high23 Ų2342.1 Ų42.111%0.11321%0.214CC..THydrogen-bonded Turntrans4838.7-177.8-55.1-176.768.900113.5R79 M81 I109 R317 R361 D362 L385R79-M315 HydrophobicContact CB-CE 4.27Å; M81-M315 HydrophobicContact CE-CE 3.44Å; M81-M315 VanDerWaalsContact CE-CE 3.44Å; M81-M315 HydrophobicContact CE-SD 4.44Å; I109-M315 HydrophobicContact CG2-CE 4.12Å; M315-R317 VanDerWaalsContact C-N 3.31Å; M315-R317 PolarHBondContact O-N 3.04Å; M315-R361 WeakPolarHBondContact CG-O 3.47Å; M315-D362 HydrophobicContact SD-CB 3.79Å; M315-L385 HydrophobicContact SD-CD1 4.24Å
316N93.8Very high92.5Very high42 Ų4245.9 Ų45.923%0.22523%0.228CC..THydrogen-bonded Turntrans57.539.4-177-171.574.2000113.8K104 N108 L267 E268 A314K104-N316 VanDerWaalsContact CE-ND2 3.28Å; K104-N316 WeakPolarHBondContact CE-ND2 3.48Å; N108-N316 VanDerWaalsContact OD1-CB 3.22Å; N108-N316 WeakPolarHBondContact OD1-CB 3.23Å; L267-N316 HydrophobicContact CD1-CB 4.47Å; L267-N316 WeakPolarHBondContact CD1-OD1 3.38Å; E268-N316 WeakPolarHBondContact CG-OD1 3.25Å; E268-N316 PolarHBondContact OE2-ND2 3.32Å; A314-N316 PolarHBondContact O-N 2.77Å; A314-N316 VanDerWaalsContact O-N 3.09Å
317R95.8Very high91.7Very high56 Ų5644.6 Ų44.621%0.21122%0.221CC..EExtended strand (participates in β ladder)trans-131.6147177.9-62156.869-167.43.3109.9V313 A314 M315 F319 E333V313-R317 VanDerWaalsContact CA-O 3.29Å; V313-R317 WeakPolarHBondContact CA-O 3.5Å; A314-R317 PolarHBondContact N-O 2.97Å; A314-R317 VanDerWaalsContact N-O 3.16Å; A314-R317 WeakPolarHBondContact O-CB 3.29Å; A314-R317 PolarHBondContact O-N 2.76Å; M315-R317 VanDerWaalsContact C-N 3.31Å; M315-R317 PolarHBondContact O-N 3.04Å; R317-F319 HydrophobicContact CB-CD2 4.42Å; R317-F319 HydrophobicContact CB-CE2 3.59Å; R317-F319 HydrophobicContact CB-CZ 3.79Å; R317-E333 IonicContact CZ-OE1 3.8Å; R317-E333 VanDerWaalsContact CZ-OE1 3.25Å; R317-E333 IonicContact CZ-OE2 3.41Å; R317-E333 IonicContact NE-OE1 2.68Å; R317-E333 PolarHBondContact NE-OE1 3.16Å; R317-E333 IonicContact NE-OE2 3.02Å; R317-E333 IonicContact NH2-OE1 3.99Å; R317-E333 PolarHBondContact NH2-OE1 2.87Å; R317-E333 IonicContact NH2-OE2 2.71Å; R317-E333 PolarHBondContact NH2-OE2 3.22Å
318I98Very high91.4Very high2 Ų244.5 Ų44.51%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-94.7124179.3-58.6-178.5000109.3I265 L267 Y272 E333 Y334 W341I265-I318 HydrophobicContact CD1-CG2 3.54Å; I265-I318 HydrophobicContact CG2-CD1 4.13Å; I265-I318 HydrophobicContact CG2-CG1 4.25Å; L267-I318 HydrophobicContact CB-CD1 4.35Å; L267-I318 HydrophobicContact CB-CG1 4.46Å; L267-I318 HydrophobicContact CD2-CD1 3.93Å; L267-I318 HydrophobicContact CD2-CG1 3.42Å; L267-I318 VanDerWaalsContact CD2-CG1 3.42Å; Y272-I318 HydrophobicContact CD1-CD1 4.38Å; Y272-I318 HydrophobicContact CD2-CD1 3.52Å; Y272-I318 HydrophobicContact CE2-CD1 3.71Å; Y272-I318 HydrophobicContact CG-CD1 3.88Å; I318-E333 VanDerWaalsContact O-CA 3.32Å; I318-E333 WeakPolarHBondContact O-CA 3.21Å; I318-Y334 PolarHBondContact O-N 2.93Å; I318-W341 HydrophobicContact CG2-CH2 4.4Å
319F98.3Very high91.5Very high0 Ų041 Ų410%020%0.195CC..EExtended strand (participates in β ladder)trans-118.4142.8172.5-57.9-85.3000110.8S311 A312 A314 R317 V331 H332 E333 V344 M357 L364 L385S311-F319 CarbonylContact C-O 3.57Å; S311-F319 WeakPolarHBondContact CA-O 3.32Å; S311-F319 WeakPolarHBondContact CB-O 3.38Å; A312-F319 PolarHBondContact N-O 2.86Å; A312-F319 PolarHBondContact O-N 3.3Å; A314-F319 HydrophobicContact CB-CD2 4.39Å; A314-F319 HydrophobicContact CB-CE2 4.05Å; R317-F319 HydrophobicContact CB-CD2 4.42Å; R317-F319 HydrophobicContact CB-CE2 3.59Å; R317-F319 HydrophobicContact CB-CZ 3.79Å; F319-V331 HydrophobicContact CB-CG1 4.38Å; F319-V331 HydrophobicContact CD1-CG1 4.3Å; F319-H332 CarbonylContact C-O 3.56Å; F319-H332 VanDerWaalsContact CA-O 3.26Å; F319-H332 WeakPolarHBondContact CA-O 3.39Å; F319-E333 HydrophobicContact CD1-CB 3.95Å; F319-E333 HydrophobicContact CE1-CB 3.88Å; F319-E333 HydrophobicContact CE1-CG 4.18Å; F319-V344 HydrophobicContact CD1-CG2 4.4Å; F319-V344 HydrophobicContact CE1-CG2 4.22Å; F319-M357 HydrophobicContact CB-CE 3.62Å; F319-M357 WeakPolarHBondContact O-CE 3.4Å; F319-L364 HydrophobicContact CB-CD1 4.07Å; F319-L364 HydrophobicContact CD1-CD1 3.84Å; F319-L364 HydrophobicContact CD2-CD1 3.99Å; F319-L364 HydrophobicContact CD2-CD2 3.79Å; F319-L364 HydrophobicContact CD2-CG 4.47Å; F319-L364 HydrophobicContact CE1-CD1 4.25Å; F319-L364 HydrophobicContact CE2-CD1 4.37Å; F319-L364 HydrophobicContact CE2-CD2 4.23Å; F319-L364 HydrophobicContact CG-CD1 3.69Å; F319-L364 HydrophobicContact CG-CD2 4.22Å; F319-L364 HydrophobicContact CZ-CD1 4.49Å; F319-L385 HydrophobicContact CE1-CD2 3.73Å; F319-L385 HydrophobicContact CE2-CD1 3.95Å; F319-L385 HydrophobicContact CE2-CD2 4.37Å; F319-L385 HydrophobicContact CZ-CD1 3.77Å; F319-L385 HydrophobicContact CZ-CD2 3.56Å; F319-L385 HydrophobicContact CZ-CG 4.35Å
320I97.1Very high91.6Very high0 Ų040.9 Ų40.90%020%0.195CC..EExtended strand (participates in β ladder)trans-126.3155.6172.565.3171.5000110.9L274 L302 V309 V310 L322 V331 H332 W341L274-I320 HydrophobicContact CD1-CG2 3.92Å; L302-I320 HydrophobicContact CD2-CD1 3.5Å; V309-I320 HydrophobicContact CG1-CB 3.72Å; V309-I320 HydrophobicContact CG1-CD1 4.37Å; V309-I320 HydrophobicContact CG1-CG2 3.8Å; V310-I320 CarbonylContact O-C 3.49Å; V310-I320 VanDerWaalsContact O-CA 3.26Å; V310-I320 WeakPolarHBondContact O-CA 3.27Å; I320-L322 HydrophobicContact CD1-CD1 3.96Å; I320-L322 HydrophobicContact CD1-CD2 4.32Å; I320-L322 HydrophobicContact CD1-CG 4.08Å; I320-L322 HydrophobicContact CG1-CG 4.5Å; I320-V331 WeakPolarHBondContact O-CA 3.34Å; I320-H332 HydrophobicContact CD1-CB 4.23Å; I320-H332 HydrophobicContact CG1-CB 3.78Å; I320-H332 PolarHBondContact N-O 3.45Å; I320-H332 PolarHBondContact O-N 2.85Å; I320-W341 HydrophobicContact CB-CZ3 4.19Å; I320-W341 HydrophobicContact CD1-CD2 4.3Å; I320-W341 HydrophobicContact CD1-CE3 3.69Å; I320-W341 HydrophobicContact CD1-CH2 3.87Å; I320-W341 HydrophobicContact CD1-CZ2 4.47Å; I320-W341 HydrophobicContact CD1-CZ3 3.44Å; I320-W341 VanDerWaalsContact CD1-CZ3 3.44Å; I320-W341 HydrophobicContact CG1-CE3 3.95Å; I320-W341 HydrophobicContact CG1-CH2 4.25Å; I320-W341 HydrophobicContact CG1-CZ3 3.51Å; I320-W341 HydrophobicContact CG2-CH2 3.75Å; I320-W341 HydrophobicContact CG2-CZ3 3.7Å
321C93.5Very high91.7Very high10 Ų1039.7 Ų39.77%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-115.3130.2172.4-54.50000110.6V310 T329 D330 M357 M366V310-C321 HydrophobicContact CB-CB 4.19Å; V310-C321 HydrophobicContact CG1-CB 4.34Å; V310-C321 PolarHBondContact O-N 2.93Å; C321-T329 HydrophobicContact CB-CG2 3.98Å; C321-D330 CarbonylContact C-O 3.41Å; C321-D330 WeakPolarHBondContact CA-O 3.25Å; C321-M357 WeakPolarHBondContact SG-CE 3.07Å; C321-M357 PolarHBondContact SG-SD 2.82Å; C321-M366 HydrophobicContact CB-CE 4.32Å; C321-M366 WeakPolarHBondContact SG-CE 3.26Å
322L92.2Very high91.8Very high8 Ų839.3 Ų39.34%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-124.6123.6178.5-61.4176.6000109.7P303 V306 V309 I320 D330P303-L322 HydrophobicContact CB-CD1 4.06Å; P303-L322 HydrophobicContact CG-CD1 3.92Å; V306-L322 HydrophobicContact CB-CD2 4.49Å; V306-L322 HydrophobicContact CG1-CD2 3.81Å; V306-L322 HydrophobicContact CG2-CD2 4.48Å; V309-L322 HydrophobicContact CG1-CD2 4.31Å; I320-L322 HydrophobicContact CD1-CD1 3.96Å; I320-L322 HydrophobicContact CD1-CD2 4.32Å; I320-L322 HydrophobicContact CD1-CG 4.08Å; I320-L322 HydrophobicContact CG1-CG 4.5Å; L322-D330 PolarHBondContact N-O 2.76Å; L322-D330 PolarHBondContact O-N 2.84Å
323W87.5Confident91.9Very high160 Ų16040.1 Ų40.161%0.60619%0.185SC*.EExtended strand (participates in β ladder)trans-79.1129.4176.2-178.959.7000110.8G325 A328W323-G325 VanDerWaalsContact CE2-CA 3.48Å; W323-A328 VanDerWaalsContact CD1-O 3.27Å
324R82.6Confident92Very high176 Ų17637.6 Ų37.666%0.66417%0.169SC*.  trans-1067.3-178.9-74.7-172.165.4170.33.9114.6A328 D330R324-A328 HydrophobicContact CB-CB 4.36Å; R324-A328 PolarHBondContact N-O 3.17Å; R324-D330 WeakPolarHBondContact CD-OD2 3.24Å; R324-D330 IonicContact CZ-OD2 2.91Å; R324-D330 IonicContact NE-OD2 3.83Å; R324-D330 IonicContact NH1-OD2 3.73Å; R324-D330 PolarHBondContact NH1-OD2 2.64Å
325G80.3Confident92.1Very high17 Ų1738.6 Ų38.618%0.17518%0.175CC..SBendtrans79.5172.7-170.700000112.3W323 G327 A328W323-G325 VanDerWaalsContact CE2-CA 3.48Å; G325-G327 PolarHBondContact O-N 3.41Å; G325-A328 PolarHBondContact O-N 3.41Å
326K79.5Confident92.1Very high208 Ų20839.8 Ų39.890%0.90418%0.184SC*.THydrogen-bonded Turntrans53.425.2178.2-57.5-178.4179.9178.80115A328K326-A328 VanDerWaalsContact C-N 3.35Å
327G79.3Confident91.9Very high4 Ų446.2 Ų46.24%0.04121%0.212CC..THydrogen-bonded Turntrans79.89.3-179.900000115.4G325 R349G325-G327 PolarHBondContact O-N 3.41Å; G327-R349 CarbonylContact C-O 3.51Å; G327-R349 WeakPolarHBondContact CA-O 3.41Å; G327-R349 PolarHBondContact O-N 3.3Å; G327-R349 VanDerWaalsContact O-O 3.05Å
328A87.6Confident91.9Very high20 Ų2047.7 Ų47.717%0.16522%0.224CC..EExtended strand (participates in β ladder)trans-91.4130.9174.800000111.3W323 R324 G325 K326 T346 L347W323-A328 VanDerWaalsContact CD1-O 3.27Å; R324-A328 HydrophobicContact CB-CB 4.36Å; R324-A328 PolarHBondContact N-O 3.17Å; G325-A328 PolarHBondContact O-N 3.41Å; K326-A328 VanDerWaalsContact C-N 3.35Å; A328-T346 HydrophobicContact CB-CG2 4.07Å; A328-L347 WeakPolarHBondContact CA-O 3.41Å
329T91.9Very high91.9Very high3 Ų350.8 Ų50.82%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-123114173.1-53.60000108.5C321 T346 L347 G354 M366C321-T329 HydrophobicContact CB-CG2 3.98Å; T329-T346 WeakPolarHBondContact O-CA 3.47Å; T329-L347 PolarHBondContact N-O 3.42Å; T329-L347 PolarHBondContact O-N 3.37Å; T329-G354 PolarHBondContact OG1-N 2.9Å; T329-M366 HydrophobicContact CG2-CE 3.85Å; T329-M366 HydrophobicContact CG2-SD 4.02Å
330D95Very high91.9Very high4 Ų456.5 Ų56.52%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-86.8134.2177.9-77.35.1000109.8C321 L322 R324 H332 L343 T346C321-D330 CarbonylContact C-O 3.41Å; C321-D330 WeakPolarHBondContact CA-O 3.25Å; L322-D330 PolarHBondContact N-O 2.76Å; L322-D330 PolarHBondContact O-N 2.84Å; R324-D330 WeakPolarHBondContact CD-OD2 3.24Å; R324-D330 IonicContact CZ-OD2 2.91Å; R324-D330 IonicContact NE-OD2 3.83Å; R324-D330 IonicContact NH1-OD2 3.73Å; R324-D330 PolarHBondContact NH1-OD2 2.64Å; D330-H332 VanDerWaalsContact CB-CE1 3.47Å; D330-H332 WeakPolarHBondContact CB-CE1 3.41Å; D330-H332 IonicContact OD2-CE1 2.7Å; D330-L343 HydrophobicContact CB-CD1 3.63Å; D330-T346 WeakPolarHBondContact OD1-CB 3.26Å; D330-T346 WeakPolarHBondContact OD1-CG2 3.39Å; D330-T346 PolarHBondContact OD1-OG1 2.79Å
331V97Very high91.9Very high1 Ų158 Ų581%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-102.1117.3171.3-177.70000107.9F319 I320 V344 T345 L364 M366 W390F319-V331 HydrophobicContact CB-CG1 4.38Å; F319-V331 HydrophobicContact CD1-CG1 4.3Å; I320-V331 WeakPolarHBondContact O-CA 3.34Å; V331-V344 PolarHBondContact O-N 3.42Å; V331-T345 HydrophobicContact CB-CG2 3.89Å; V331-T345 HydrophobicContact CG2-CG2 4.02Å; V331-T345 PolarHBondContact N-O 2.79Å; V331-T345 PolarHBondContact O-N 2.86Å; V331-L364 HydrophobicContact CG1-CD1 4.12Å; V331-M366 HydrophobicContact CG2-CE 3.58Å; V331-W390 HydrophobicContact CG2-CH2 4.28Å; V331-W390 HydrophobicContact CG2-CZ2 4.13Å
332H97.8Very high92.1Very high19 Ų1960.4 Ų60.49%0.08828%0.28CS..EExtended strand (participates in β ladder)trans-109.2145.6175.6-64.775.5000110.5F319 I320 D330 W341 L342F319-H332 CarbonylContact C-O 3.56Å; F319-H332 VanDerWaalsContact CA-O 3.26Å; F319-H332 WeakPolarHBondContact CA-O 3.39Å; I320-H332 HydrophobicContact CD1-CB 4.23Å; I320-H332 HydrophobicContact CG1-CB 3.78Å; I320-H332 PolarHBondContact N-O 3.45Å; I320-H332 PolarHBondContact O-N 2.85Å; D330-H332 VanDerWaalsContact CB-CE1 3.47Å; D330-H332 WeakPolarHBondContact CB-CE1 3.41Å; D330-H332 IonicContact OD2-CE1 2.7Å; H332-W341 HydrophobicContact CB-CE3 4.03Å; H332-L342 CarbonylContact C-O 3.6Å; H332-L342 WeakPolarHBondContact CA-O 3.49Å
333E98.1Very high92.4Very high27 Ų2764.4 Ų64.413%0.12630%0.301CS..EExtended strand (participates in β ladder)trans-104.8140.3169.2171.6179.2-160.400109.6R317 I318 F319 V335 W341 L342 V344R317-E333 IonicContact CZ-OE1 3.8Å; R317-E333 VanDerWaalsContact CZ-OE1 3.25Å; R317-E333 IonicContact CZ-OE2 3.41Å; R317-E333 IonicContact NE-OE1 2.68Å; R317-E333 PolarHBondContact NE-OE1 3.16Å; R317-E333 IonicContact NE-OE2 3.02Å; R317-E333 IonicContact NH2-OE1 3.99Å; R317-E333 PolarHBondContact NH2-OE1 2.87Å; R317-E333 IonicContact NH2-OE2 2.71Å; R317-E333 PolarHBondContact NH2-OE2 3.22Å; I318-E333 VanDerWaalsContact O-CA 3.32Å; I318-E333 WeakPolarHBondContact O-CA 3.21Å; F319-E333 HydrophobicContact CD1-CB 3.95Å; F319-E333 HydrophobicContact CE1-CB 3.88Å; F319-E333 HydrophobicContact CE1-CG 4.18Å; E333-V335 HydrophobicContact CG-CG2 4.27Å; E333-W341 CarbonylContact O-C 3.59Å; E333-W341 VanDerWaalsContact O-CA 3.29Å; E333-W341 WeakPolarHBondContact O-CA 3.02Å; E333-L342 PolarHBondContact N-O 2.84Å; E333-L342 PolarHBondContact O-N 2.91Å; E333-V344 HydrophobicContact CB-CG2 3.54Å
334Y98.3Very high92.8Very high4 Ų458.7 Ų58.72%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-92.5127165.5-176.8-114.4000110Y272 V299 I318 P336 D339 W341Y272-Y334 HydrophobicContact CD1-CE1 4.23Å; Y272-Y334 HydrophobicContact CE1-CD1 4.15Å; Y272-Y334 AromaticContact CE1-CE1 3.59Å; Y272-Y334 HydrophobicContact CE1-CE1 3.59Å; V299-Y334 WeakPolarHBondContact CB-OH 3.46Å; I318-Y334 PolarHBondContact O-N 2.93Å; Y334-P336 HydrophobicContact CD1-CG 3.98Å; Y334-P336 HydrophobicContact CE1-CB 4.11Å; Y334-P336 HydrophobicContact CE1-CG 3.96Å; Y334-P336 WeakPolarHBondContact O-CD 3.34Å; Y334-D339 WeakPolarHBondContact CE2-OD1 3.37Å; Y334-D339 PolarHBondContact OH-OD1 3.47Å; Y334-W341 AromaticContact CD2-CD2 3.98Å; Y334-W341 HydrophobicContact CD2-CD2 3.98Å; Y334-W341 AromaticContact CD2-CE2 3.64Å; Y334-W341 HydrophobicContact CD2-CG 4.32Å; Y334-W341 AromaticContact CD2-CZ2 3.93Å; Y334-W341 HydrophobicContact CD2-CZ2 3.93Å; Y334-W341 AromaticContact CD2-NE1 3.78Å; Y334-W341 HydrophobicContact CG-CD2 4.48Å; Y334-W341 HydrophobicContact CG-CH2 4.28Å; Y334-W341 HydrophobicContact CG-CZ2 4.09Å
335V96.3Very high93.5Very high27 Ų2751.5 Ų51.516%0.16426%0.26CS..EExtended strand (participates in β ladder)trans-104.7103.3175.6-177.90000108.1E333 E337 D338 D339 R340 L342E333-V335 HydrophobicContact CG-CG2 4.27Å; V335-E337 VanDerWaalsContact C-N 3.34Å; V335-E337 PolarHBondContact O-N 2.66Å; V335-D338 HydrophobicContact CB-CB 4.39Å; V335-D338 HydrophobicContact CG1-CB 4.02Å; V335-D338 PolarHBondContact O-N 3.03Å; V335-D339 PolarHBondContact O-N 2.79Å; V335-D339 VanDerWaalsContact O-N 3.1Å; V335-R340 PolarHBondContact N-O 2.95Å; V335-R340 PolarHBondContact O-N 3.14Å; V335-L342 HydrophobicContact CG2-CD1 3.57Å; V335-L342 HydrophobicContact CG2-CG 3.96Å
336P93.6Very high94.2Very high47 Ų4753.1 Ų53.131%0.30527%0.266SS..THydrogen-bonded Turntrans-62.6-36.1-174.7-25.135.4000114.1Y334 D338 D339Y334-P336 HydrophobicContact CD1-CG 3.98Å; Y334-P336 HydrophobicContact CE1-CB 4.11Å; Y334-P336 HydrophobicContact CE1-CG 3.96Å; Y334-P336 WeakPolarHBondContact O-CD 3.34Å; P336-D338 VanDerWaalsContact C-N 3.3Å; P336-D338 PolarHBondContact O-N 2.66Å; P336-D339 PolarHBondContact O-N 2.76Å
337E91.1Very high94.9Very high177 Ų17743.7 Ų43.783%0.82723%0.225SC*.THydrogen-bonded Turntrans-63.7-36.2-178.5-56.4-5615400112.6V335V335-E337 VanDerWaalsContact C-N 3.34Å; V335-E337 PolarHBondContact O-N 2.66Å
338D95.1Very high95.5Very high87 Ų8749.2 Ų49.247%0.46525%0.253SS..THydrogen-bonded Turntrans-96.5-4.2-178.8-70.1-22.5000112.9V335 P336 R340V335-D338 HydrophobicContact CB-CB 4.39Å; V335-D338 HydrophobicContact CG1-CB 4.02Å; V335-D338 PolarHBondContact O-N 3.03Å; P336-D338 VanDerWaalsContact C-N 3.3Å; P336-D338 PolarHBondContact O-N 2.66Å; D338-R340 VanDerWaalsContact C-N 3.34Å; D338-R340 HydrophobicContact CB-CG 3.66Å; D338-R340 PolarHBondContact O-N 2.91Å; D338-R340 IonicContact OD2-CZ 3.91Å; D338-R340 IonicContact OD2-NE 3.46Å; D338-R340 PolarHBondContact OD2-NE 2.67Å; D338-R340 IonicContact OD2-NH2 2.92Å; D338-R340 PolarHBondContact OD2-NH2 2.81Å
339D97.4Very high95.6Very high67 Ų6753 Ų5336%0.35826%0.263SS..THydrogen-bonded Turntrans41.556.4-167.9-169.127.3000113.6V299 S300 Y334 V335 P336V299-D339 WeakPolarHBondContact CB-OD1 3.31Å; S300-D339 WeakPolarHBondContact CB-O 3.36Å; S300-D339 VanDerWaalsContact CB-OD1 3.3Å; S300-D339 WeakPolarHBondContact CB-OD1 3.37Å; S300-D339 VanDerWaalsContact N-CG 3.34Å; S300-D339 PolarHBondContact N-OD1 3.18Å; S300-D339 PolarHBondContact N-OD2 3.41Å; S300-D339 VanDerWaalsContact N-OD2 3.16Å; S300-D339 PolarHBondContact OG-O 2.98Å; Y334-D339 WeakPolarHBondContact CE2-OD1 3.37Å; Y334-D339 PolarHBondContact OH-OD1 3.47Å; V335-D339 PolarHBondContact O-N 2.79Å; V335-D339 VanDerWaalsContact O-N 3.1Å; P336-D339 PolarHBondContact O-N 2.76Å
340R97.9Very high95.2Very high121 Ų12160.7 Ų60.746%0.45730%0.299SS..EExtended strand (participates in β ladder)trans-146.4154.8-178.671.6-173.3172.3163.4-4114.3V335 D338 L342V335-R340 PolarHBondContact N-O 2.95Å; V335-R340 PolarHBondContact O-N 3.14Å; D338-R340 VanDerWaalsContact C-N 3.34Å; D338-R340 HydrophobicContact CB-CG 3.66Å; D338-R340 PolarHBondContact O-N 2.91Å; D338-R340 IonicContact OD2-CZ 3.91Å; D338-R340 IonicContact OD2-NE 3.46Å; D338-R340 PolarHBondContact OD2-NE 2.67Å; D338-R340 IonicContact OD2-NH2 2.92Å; D338-R340 PolarHBondContact OD2-NH2 2.81Å; R340-L342 HydrophobicContact CG-CD2 4.11Å; R340-L342 HydrophobicContact CG-CG 4.38Å
341W98.2Very high94.5Very high31 Ų3167 Ų6712%0.11733%0.328CS..EExtended strand (participates in β ladder)trans-93.8126.9170.3-6692.3000110.6L274 V286 S300 A301 L302 P303 I318 I320 H332 E333 Y334L274-W341 HydrophobicContact CD1-CH2 4.44Å; L274-W341 HydrophobicContact CD2-CH2 3.78Å; L274-W341 HydrophobicContact CD2-CZ2 3.6Å; V286-W341 HydrophobicContact CG2-CZ2 4.2Å; S300-W341 PolarHBondContact O-NE1 3.44Å; A301-W341 PolarHBondContact O-NE1 2.83Å; L302-W341 HydrophobicContact CD2-CH2 4.07Å; L302-W341 HydrophobicContact CD2-CZ2 3.65Å; P303-W341 HydrophobicContact CG-CB 4.3Å; I318-W341 HydrophobicContact CG2-CH2 4.4Å; I320-W341 HydrophobicContact CB-CZ3 4.19Å; I320-W341 HydrophobicContact CD1-CD2 4.3Å; I320-W341 HydrophobicContact CD1-CE3 3.69Å; I320-W341 HydrophobicContact CD1-CH2 3.87Å; I320-W341 HydrophobicContact CD1-CZ2 4.47Å; I320-W341 HydrophobicContact CD1-CZ3 3.44Å; I320-W341 VanDerWaalsContact CD1-CZ3 3.44Å; I320-W341 HydrophobicContact CG1-CE3 3.95Å; I320-W341 HydrophobicContact CG1-CH2 4.25Å; I320-W341 HydrophobicContact CG1-CZ3 3.51Å; I320-W341 HydrophobicContact CG2-CH2 3.75Å; I320-W341 HydrophobicContact CG2-CZ3 3.7Å; H332-W341 HydrophobicContact CB-CE3 4.03Å; E333-W341 CarbonylContact O-C 3.59Å; E333-W341 VanDerWaalsContact O-CA 3.29Å; E333-W341 WeakPolarHBondContact O-CA 3.02Å; Y334-W341 AromaticContact CD2-CD2 3.98Å; Y334-W341 HydrophobicContact CD2-CD2 3.98Å; Y334-W341 AromaticContact CD2-CE2 3.64Å; Y334-W341 HydrophobicContact CD2-CG 4.32Å; Y334-W341 AromaticContact CD2-CZ2 3.93Å; Y334-W341 HydrophobicContact CD2-CZ2 3.93Å; Y334-W341 AromaticContact CD2-NE1 3.78Å; Y334-W341 HydrophobicContact CG-CD2 4.48Å; Y334-W341 HydrophobicContact CG-CH2 4.28Å; Y334-W341 HydrophobicContact CG-CZ2 4.09Å
342L97.5Very high93.9Very high60 Ų6067.1 Ų67.131%0.31433%0.329SS..EExtended strand (participates in β ladder)trans-108.8131.3175.8-62.2-176.5000110.3H332 E333 V335 R340 V344H332-L342 CarbonylContact C-O 3.6Å; H332-L342 WeakPolarHBondContact CA-O 3.49Å; E333-L342 PolarHBondContact N-O 2.84Å; E333-L342 PolarHBondContact O-N 2.91Å; V335-L342 HydrophobicContact CG2-CD1 3.57Å; V335-L342 HydrophobicContact CG2-CG 3.96Å; R340-L342 HydrophobicContact CG-CD2 4.11Å; R340-L342 HydrophobicContact CG-CG 4.38Å; L342-V344 PolarHBondContact O-N 2.85Å
343L97.4Very high93.1Very high92 Ų9271 Ų7148%0.48234%0.343SS..EExtended strand (participates in β ladder)trans-72.8114.1170.417765.9000109D330D330-L343 HydrophobicContact CB-CD1 3.63Å
344V97.3Very high92.4Very high40 Ų4070.4 Ų70.424%0.24234%0.344CS..EExtended strand (participates in β ladder)trans-85.9-47.5-179.3178.90000110.6F319 V331 E333 L342 Y383F319-V344 HydrophobicContact CD1-CG2 4.4Å; F319-V344 HydrophobicContact CE1-CG2 4.22Å; V331-V344 PolarHBondContact O-N 3.42Å; E333-V344 HydrophobicContact CB-CG2 3.54Å; L342-V344 PolarHBondContact O-N 2.85Å; V344-Y383 HydrophobicContact CG1-CE1 3.65Å
345T97.1Very high91.8Very high26 Ų2672.7 Ų72.716%0.1636%0.357CS..EExtended strand (participates in β ladder)trans-163.4164.1-178.1-170.80000111.2V331 Y383 W390V331-T345 HydrophobicContact CB-CG2 3.89Å; V331-T345 HydrophobicContact CG2-CG2 4.02Å; V331-T345 PolarHBondContact N-O 2.79Å; V331-T345 PolarHBondContact O-N 2.86Å; T345-Y383 HydrophobicContact CG2-CD1 4.05Å; T345-Y383 HydrophobicContact CG2-CD2 3.9Å; T345-Y383 HydrophobicContact CG2-CE1 3.91Å; T345-Y383 HydrophobicContact CG2-CE2 3.75Å; T345-Y383 HydrophobicContact CG2-CG 4.04Å; T345-W390 HydrophobicContact CG2-CZ2 3.51Å; T345-W390 PolarHBondContact OG1-NE1 3.39Å
346T95.5Very high91.6Very high50 Ų5074.3 Ų74.331%0.30736%0.36SS..EExtended strand (participates in β ladder)trans-124122.9172.6-60.30000109.2A328 T329 D330 I348A328-T346 HydrophobicContact CB-CG2 4.07Å; T329-T346 WeakPolarHBondContact O-CA 3.47Å; D330-T346 WeakPolarHBondContact OD1-CB 3.26Å; D330-T346 WeakPolarHBondContact OD1-CG2 3.39Å; D330-T346 PolarHBondContact OD1-OG1 2.79Å; T346-I348 HydrophobicContact CG2-CD1 4.49Å; T346-I348 HydrophobicContact CG2-CG1 3.88Å
347L93.8Very high91.7Very high10 Ų1072.2 Ų72.25%0.05235%0.346CS..EExtended strand (participates in β ladder)trans-89.2122.6169.4-178.164.2000109.6A328 T329 R349 M366 R368 D381 W390A328-L347 WeakPolarHBondContact CA-O 3.41Å; T329-L347 PolarHBondContact N-O 3.42Å; T329-L347 PolarHBondContact O-N 3.37Å; L347-R349 HydrophobicContact CD1-CG 4Å; L347-R349 HydrophobicContact CD2-CG 4.28Å; L347-R349 HydrophobicContact CG-CG 3.93Å; L347-M366 HydrophobicContact CD2-SD 3.54Å; L347-M366 VanDerWaalsContact CD2-SD 3.54Å; L347-R368 VanDerWaalsContact CD2-CD 3.41Å; L347-D381 HydrophobicContact CD2-CB 4.03Å; L347-W390 HydrophobicContact CB-CH2 3.97Å; L347-W390 HydrophobicContact CB-CZ2 3.74Å; L347-W390 HydrophobicContact CB-CZ3 4.48Å; L347-W390 HydrophobicContact CD1-CD2 3.91Å; L347-W390 HydrophobicContact CD1-CE3 3.99Å; L347-W390 HydrophobicContact CD1-CG 4.32Å; L347-W390 HydrophobicContact CD1-CZ3 4.34Å; L347-W390 HydrophobicContact CD2-CE3 4.4Å; L347-W390 HydrophobicContact CD2-CH2 4.11Å; L347-W390 HydrophobicContact CD2-CZ3 3.97Å; L347-W390 HydrophobicContact CG-CH2 4.46Å
348I92.2Very high91.9Very high121 Ų12164.5 Ų64.562%0.62131%0.311SS*.EExtended strand (participates in β ladder)trans-110.8111178.7-55.9177.9000109.4T346T346-I348 HydrophobicContact CG2-CD1 4.49Å; T346-I348 HydrophobicContact CG2-CG1 3.88Å
349R88.5Confident92Very high98 Ų9860.9 Ų60.937%0.3730%0.295SS..  trans-140.7116.5178.7-67.9-74.9-163.5-161.6-1.1108.9G327 L347 Q351 S352 R368 D381G327-R349 CarbonylContact C-O 3.51Å; G327-R349 WeakPolarHBondContact CA-O 3.41Å; G327-R349 PolarHBondContact O-N 3.3Å; G327-R349 VanDerWaalsContact O-O 3.05Å; L347-R349 HydrophobicContact CD1-CG 4Å; L347-R349 HydrophobicContact CD2-CG 4.28Å; L347-R349 HydrophobicContact CG-CG 3.93Å; R349-Q351 PolarHBondContact O-N 2.75Å; R349-S352 PolarHBondContact O-N 3.08Å; R349-S352 VanDerWaalsContact O-O 3.12Å; R349-R368 VanDerWaalsContact CG-CZ 3.46Å; R349-R368 VanDerWaalsContact CG-NH1 3.27Å; R349-D381 IonicContact CZ-OD1 3.06Å; R349-D381 IonicContact NE-OD1 2.74Å; R349-D381 PolarHBondContact NE-OD1 3.22Å; R349-D381 IonicContact NE-OD2 3.74Å; R349-D381 IonicContact NH2-OD1 2.66Å; R349-D381 PolarHBondContact NH2-OD1 3.12Å
350Q84.1Confident91.9Very high165 Ų16558.4 Ų58.477%0.77128%0.281SS*.THydrogen-bonded Turntrans-60.2132.7-175.1-68.2-154.3-13.800111.4S352Q350-S352 PolarHBondContact O-N 2.93Å
351Q80.7Confident91.7Very high137 Ų13756 Ų5664%0.6427%0.272SS*.THydrogen-bonded Turntrans55.224.6177.2-60.5174.3-22.400114.8R349 N369R349-Q351 PolarHBondContact O-N 2.75Å; Q351-N369 PolarHBondContact O-ND2 3.05Å
352S83.3Confident91.5Very high3 Ų355.7 Ų55.72%0.02127%0.272CS..  trans-144.6123.1-176.8177.30000110.5R349 Q350 R368 N369R349-S352 PolarHBondContact O-N 3.08Å; R349-S352 VanDerWaalsContact O-O 3.12Å; Q350-S352 PolarHBondContact O-N 2.93Å; S352-R368 VanDerWaalsContact CB-NH1 3.25Å; S352-R368 PolarHBondContact O-NH1 2.84Å; S352-R368 PolarHBondContact OG-NH1 3.38Å; S352-N369 WeakPolarHBondContact CA-OD1 3.32Å; S352-N369 WeakPolarHBondContact CB-O 3.23Å; S352-N369 PolarHBondContact OG-O 2.86Å
353Y81.6Confident91.4Very high101 Ų10154 Ų5440%0.39626%0.264SS..  trans-127.7154.4-169.156-84.8000112L355 R368 N369Y353-L355 HydrophobicContact CD2-CD2 3.82Å; Y353-L355 HydrophobicContact CD2-CG 4.41Å; Y353-L355 HydrophobicContact CE2-CD2 3.33Å; Y353-L355 HydrophobicContact CE2-CG 4.26Å; Y353-L355 PolarHBondContact O-N 2.78Å; Y353-R368 VanDerWaalsContact O-CA 3.25Å; Y353-R368 WeakPolarHBondContact O-CA 3.42Å; Y353-R368 VanDerWaalsContact O-CB 3.27Å; Y353-R368 WeakPolarHBondContact O-CB 3.26Å; Y353-N369 VanDerWaalsContact CD1-OD1 3.28Å; Y353-N369 WeakPolarHBondContact CD1-OD1 3.29Å; Y353-N369 PolarHBondContact N-OD1 2.59Å; Y353-N369 PolarHBondContact O-OD1 2.93Å
354G82.5Confident91.5Very high14 Ų1449.7 Ų49.714%0.14424%0.241CC..EExtended strand (participates in β ladder)trans-60.9124.7176.100000112.3T329T329-G354 PolarHBondContact OG1-N 2.9Å
355L87.8Confident91.4Very high53 Ų5348.2 Ų48.228%0.27723%0.232SC..EExtended strand (participates in β ladder)trans-111.1-28.1177.1-69.3178.6000112.6V310 Y353 M367 N369 F405V310-L355 WeakPolarHBondContact CG2-O 3.5Å; Y353-L355 HydrophobicContact CD2-CD2 3.82Å; Y353-L355 HydrophobicContact CD2-CG 4.41Å; Y353-L355 HydrophobicContact CE2-CD2 3.33Å; Y353-L355 HydrophobicContact CE2-CG 4.26Å; Y353-L355 PolarHBondContact O-N 2.78Å; L355-M367 PolarHBondContact N-O 3.17Å; L355-N369 HydrophobicContact CD1-CB 4Å; L355-F405 HydrophobicContact CB-CD1 4.37Å; L355-F405 HydrophobicContact CB-CE1 3.69Å; L355-F405 HydrophobicContact CB-CZ 3.9Å; L355-F405 HydrophobicContact CD1-CE1 4.03Å; L355-F405 HydrophobicContact CD1-CE2 4.35Å; L355-F405 HydrophobicContact CD1-CZ 3.5Å; L355-F405 VanDerWaalsContact CD1-CZ 3.5Å; L355-F405 HydrophobicContact CG-CZ 4.34Å
356Y92Very high91.2Very high61 Ų6147 Ų4724%0.23922%0.224CC..EExtended strand (participates in β ladder)trans-155.7156.9178.7-158.9-108000110.2V310 M367 F405 A407V310-Y356 VanDerWaalsContact CG1-C 3.49Å; Y356-M367 HydrophobicContact CD1-SD 4.15Å; Y356-M367 PolarHBondContact N-O 2.82Å; Y356-M367 PolarHBondContact O-N 3.45Å; Y356-F405 HydrophobicContact CD2-CB 4.12Å; Y356-F405 WeakPolarHBondContact CE2-O 3.33Å; Y356-F405 HydrophobicContact CG-CB 4.26Å; Y356-F405 HydrophobicContact CG-CD1 4.36Å; Y356-F405 VanDerWaalsContact CZ-O 3.27Å; Y356-A407 HydrophobicContact CD1-CB 4.42Å; Y356-A407 HydrophobicContact CE1-CB 4.04Å
357M95.3Very high91Very high3 Ų344.7 Ų44.72%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-141.5142.2177.4-171.4169.253.800109.6V310 A312 F319 C321 L364 Y365V310-M357 HydrophobicContact CG1-CB 3.72Å; A312-M357 HydrophobicContact CB-CB 4.06Å; A312-M357 HydrophobicContact CB-CE 3.75Å; A312-M357 HydrophobicContact CB-CG 3.66Å; A312-M357 HydrophobicContact CB-SD 4.27Å; F319-M357 HydrophobicContact CB-CE 3.62Å; F319-M357 WeakPolarHBondContact O-CE 3.4Å; C321-M357 WeakPolarHBondContact SG-CE 3.07Å; C321-M357 PolarHBondContact SG-SD 2.82Å; M357-L364 HydrophobicContact SD-CB 4.16Å; M357-L364 HydrophobicContact SD-CD1 4.16Å; M357-L364 HydrophobicContact SD-CD2 4.35Å; M357-L364 HydrophobicContact SD-CG 4.47Å; M357-Y365 CarbonylContact C-O 3.54Å; M357-Y365 VanDerWaalsContact CA-O 3.26Å; M357-Y365 WeakPolarHBondContact CA-O 3.38Å
358V95.8Very high90.8Very high14 Ų1444.8 Ų44.89%0.08521%0.209CC..EExtended strand (participates in β ladder)trans-137.7141.7171.173.30000110.3Y365 M367 V409 W432V358-Y365 HydrophobicContact CG1-CD2 4.45Å; V358-Y365 PolarHBondContact N-O 3.36Å; V358-Y365 PolarHBondContact O-N 2.8Å; V358-M367 HydrophobicContact CG1-CE 3.94Å; V358-V409 HydrophobicContact CG1-CG2 4.35Å; V358-V409 HydrophobicContact CG2-CB 4.47Å; V358-V409 HydrophobicContact CG2-CG2 3.59Å; V358-W432 HydrophobicContact CG1-CH2 3.65Å; V358-W432 HydrophobicContact CG1-CZ2 3.82Å
359G96.1Very high90.4Very high12 Ų1239.5 Ų39.512%0.12418%0.182CC..EExtended strand (participates in β ladder)trans-95.2136.3176.300000111.6N363 V409G359-N363 WeakPolarHBondContact CA-O 3.14Å; G359-V409 WeakPolarHBondContact O-CG2 3.38Å
360H95.4Very high90Very high14 Ų1434.9 Ų34.97%0.06517%0.165CC..EExtended strand (participates in β ladder)trans-146.3122168.3167.4-109.6000109.3D362 N363 Y365 V409 G411 D412H360-D362 PolarHBondContact O-N 3.24Å; H360-N363 PolarHBondContact N-O 2.79Å; H360-N363 WeakPolarHBondContact O-CA 3.28Å; H360-N363 WeakPolarHBondContact O-CB 3.27Å; H360-N363 PolarHBondContact O-N 3.09Å; H360-Y365 HydrophobicContact CB-CD2 4.37Å; H360-Y365 HydrophobicContact CB-CE2 3.9Å; H360-V409 HydrophobicContact CB-CG1 3.96Å; H360-V409 HydrophobicContact CB-CG2 3.91Å; H360-G411 PolarHBondContact CD2-O 2.85Å; H360-G411 PolarHBondContact NE2-O 3.33Å; H360-D412 IonicContact CD2-OD1 3.84Å; H360-D412 IonicContact CE1-OD1 2.67Å; H360-D412 PolarHBondContact CE1-OD1 2.91Å; H360-D412 VanDerWaalsContact CE1-OD1 3.3Å; H360-D412 IonicContact NE2-OD1 3.03Å; H360-D412 PolarHBondContact NE2-OD1 3.45Å
361R93.4Very high89.6Confident71 Ų7130.5 Ų30.527%0.26815%0.151SC..THydrogen-bonded Turntrans53.1-128.8-169.8-55.6175.3-178.2-163.2-3.4110.4S112 E113 M315 N363 D412S112-R361 PolarHBondContact OG-NH2 3.22Å; E113-R361 IonicContact OE1-CZ 3.88Å; E113-R361 IonicContact OE1-NH1 3.64Å; E113-R361 PolarHBondContact OE1-NH1 2.97Å; E113-R361 IonicContact OE1-NH2 2.8Å; M315-R361 WeakPolarHBondContact CG-O 3.47Å; R361-N363 VanDerWaalsContact C-N 3.29Å; R361-D412 IonicContact CZ-OD1 2.78Å; R361-D412 IonicContact CZ-OD2 3.64Å; R361-D412 IonicContact NE-OD1 3.14Å; R361-D412 PolarHBondContact NE-OD1 2.81Å; R361-D412 VanDerWaalsContact NE-OD1 3.11Å; R361-D412 IonicContact NH2-OD1 3.21Å; R361-D412 PolarHBondContact NH2-OD1 3.14Å; R361-D412 IonicContact NH2-OD2 2.72Å; R361-D412 PolarHBondContact NH2-OD2 3.28Å
362D94.3Very high89.5Confident24 Ų2425.2 Ų25.213%0.12813%0.133CC..THydrogen-bonded Turntrans-87.512.7175.365.3-24.5000113.3M315 H360 N384 L385 T386M315-D362 HydrophobicContact SD-CB 3.79Å; H360-D362 PolarHBondContact O-N 3.24Å; D362-N384 VanDerWaalsContact CG-ND2 3.26Å; D362-N384 PolarHBondContact OD1-ND2 3.25Å; D362-N384 PolarHBondContact OD2-ND2 3.01Å; D362-N384 PolarHBondContact OD2-OD1 3.36Å; D362-L385 VanDerWaalsContact O-CB 3.27Å; D362-L385 WeakPolarHBondContact O-CB 3.47Å; D362-L385 WeakPolarHBondContact O-CG 3.35Å; D362-L385 PolarHBondContact O-N 2.96Å; D362-T386 PolarHBondContact OD2-OG1 2.96Å
363N96.6Very high88.9Confident25 Ų2533.2 Ų33.213%0.13417%0.17CC..EExtended strand (participates in β ladder)trans-112.6136.5-176-62.5-67.6000112.4G359 H360 R361 Y365 Y383 N384G359-N363 WeakPolarHBondContact CA-O 3.14Å; H360-N363 PolarHBondContact N-O 2.79Å; H360-N363 WeakPolarHBondContact O-CA 3.28Å; H360-N363 WeakPolarHBondContact O-CB 3.27Å; H360-N363 PolarHBondContact O-N 3.09Å; R361-N363 VanDerWaalsContact C-N 3.29Å; N363-Y365 HydrophobicContact CB-CD2 4.32Å; N363-Y365 HydrophobicContact CB-CE2 3.62Å; N363-Y383 WeakPolarHBondContact CA-O 3.33Å; N363-N384 WeakPolarHBondContact OD1-CB 3.39Å; N363-N384 PolarHBondContact OD1-ND2 2.86Å
364L97.5Very high88.5Confident2 Ų233.4 Ų33.41%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-105.2112.8167.8-62.6178.2000109A312 A314 F319 V331 M357 C382 Y383 L385A312-L364 HydrophobicContact CB-CD2 4.41Å; A314-L364 HydrophobicContact CB-CD2 3.65Å; F319-L364 HydrophobicContact CB-CD1 4.07Å; F319-L364 HydrophobicContact CD1-CD1 3.84Å; F319-L364 HydrophobicContact CD2-CD1 3.99Å; F319-L364 HydrophobicContact CD2-CD2 3.79Å; F319-L364 HydrophobicContact CD2-CG 4.47Å; F319-L364 HydrophobicContact CE1-CD1 4.25Å; F319-L364 HydrophobicContact CE2-CD1 4.37Å; F319-L364 HydrophobicContact CE2-CD2 4.23Å; F319-L364 HydrophobicContact CG-CD1 3.69Å; F319-L364 HydrophobicContact CG-CD2 4.22Å; F319-L364 HydrophobicContact CZ-CD1 4.49Å; V331-L364 HydrophobicContact CG1-CD1 4.12Å; M357-L364 HydrophobicContact SD-CB 4.16Å; M357-L364 HydrophobicContact SD-CD1 4.16Å; M357-L364 HydrophobicContact SD-CD2 4.35Å; M357-L364 HydrophobicContact SD-CG 4.47Å; L364-C382 CarbonylContact O-C 3.55Å; L364-C382 WeakPolarHBondContact O-CA 3.43Å; L364-Y383 HydrophobicContact CD1-CD1 4.44Å; L364-Y383 PolarHBondContact N-O 2.86Å; L364-Y383 PolarHBondContact O-N 2.98Å; L364-L385 HydrophobicContact CD1-CD2 3.97Å; L364-L385 HydrophobicContact CG-CD1 4.39Å; L364-L385 HydrophobicContact CG-CD2 4.33Å; L364-L385 HydrophobicContact CG-CG 4.36Å
365Y95.8Very high87.8Confident9 Ų938.6 Ų38.64%0.03520%0.197CC..EExtended strand (participates in β ladder)trans-91.7116.1175.8-64-88.5000109.2M357 V358 H360 N363 M380 C382 M393 V427 W432M357-Y365 CarbonylContact C-O 3.54Å; M357-Y365 VanDerWaalsContact CA-O 3.26Å; M357-Y365 WeakPolarHBondContact CA-O 3.38Å; V358-Y365 HydrophobicContact CG1-CD2 4.45Å; V358-Y365 PolarHBondContact N-O 3.36Å; V358-Y365 PolarHBondContact O-N 2.8Å; H360-Y365 HydrophobicContact CB-CD2 4.37Å; H360-Y365 HydrophobicContact CB-CE2 3.9Å; N363-Y365 HydrophobicContact CB-CD2 4.32Å; N363-Y365 HydrophobicContact CB-CE2 3.62Å; Y365-M380 HydrophobicContact CD1-CE 4.13Å; Y365-M380 HydrophobicContact CD1-CG 4.49Å; Y365-M380 HydrophobicContact CD1-SD 3.92Å; Y365-M380 HydrophobicContact CG-SD 4.35Å; Y365-C382 HydrophobicContact CD1-CB 4Å; Y365-C382 HydrophobicContact CE1-CB 3.97Å; Y365-M393 HydrophobicContact CD1-CE 4.3Å; Y365-M393 HydrophobicContact CD1-CG 4.48Å; Y365-M393 HydrophobicContact CE1-CE 3.71Å; Y365-M393 HydrophobicContact CE1-SD 4.13Å; Y365-V427 HydrophobicContact CE2-CG1 4.4Å; Y365-V427 VanDerWaalsContact OH-CG1 3.25Å; Y365-V427 WeakPolarHBondContact OH-CG1 3.37Å; Y365-W432 HydrophobicContact CD1-CZ2 4.03Å; Y365-W432 AromaticContact CD1-NE1 3.56Å; Y365-W432 HydrophobicContact CD2-CZ2 4.12Å; Y365-W432 AromaticContact CE1-NE1 3.48Å; Y365-W432 AromaticContact CG-CZ2 3.71Å; Y365-W432 HydrophobicContact CG-CZ2 3.71Å; Y365-W432 AromaticContact CZ-NE1 3.91Å
366M93.6Very high87Confident1 Ų141.8 Ų41.81%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-105.2116.4-179.6-176.1-177.7-74.300110.3C321 T329 V331 L347 R368 M380 D381 W390C321-M366 HydrophobicContact CB-CE 4.32Å; C321-M366 WeakPolarHBondContact SG-CE 3.26Å; T329-M366 HydrophobicContact CG2-CE 3.85Å; T329-M366 HydrophobicContact CG2-SD 4.02Å; V331-M366 HydrophobicContact CG2-CE 3.58Å; L347-M366 HydrophobicContact CD2-SD 3.54Å; L347-M366 VanDerWaalsContact CD2-SD 3.54Å; M366-R368 HydrophobicContact CG-CG 3.89Å; M366-R368 HydrophobicContact SD-CG 4.23Å; M366-M380 VanDerWaalsContact O-CA 3.3Å; M366-M380 WeakPolarHBondContact O-CA 3.34Å; M366-D381 PolarHBondContact N-O 3.34Å; M366-D381 PolarHBondContact O-N 3.03Å; M366-W390 HydrophobicContact CB-CZ3 4.36Å; M366-W390 HydrophobicContact CE-CH2 3.82Å; M366-W390 HydrophobicContact SD-CH2 4.22Å
367M91.6Very high86.3Confident0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-89.7132.8174.9-62.974.9-171.500109.5L355 Y356 V358 M380 L404 F405 A407 W432L355-M367 PolarHBondContact N-O 3.17Å; Y356-M367 HydrophobicContact CD1-SD 4.15Å; Y356-M367 PolarHBondContact N-O 2.82Å; Y356-M367 PolarHBondContact O-N 3.45Å; V358-M367 HydrophobicContact CG1-CE 3.94Å; M367-M380 HydrophobicContact CE-SD 3.63Å; M367-L404 HydrophobicContact CG-CB 4.26Å; M367-L404 HydrophobicContact CG-CD1 4.43Å; M367-F405 HydrophobicContact CB-CE1 4.39Å; M367-A407 HydrophobicContact CE-CB 4.45Å; M367-W432 HydrophobicContact CE-CH2 3.04Å; M367-W432 HydrophobicContact CE-CZ2 3.77Å; M367-W432 HydrophobicContact CE-CZ3 3.54Å
368R88.9Confident85.7Confident12 Ų1242.2 Ų42.25%0.04522%0.22CC..EExtended strand (participates in β ladder)trans-134.5159-174-47.6-172.5-62.799.412.8110L347 R349 S352 Y353 M366 C378 V379 D381L347-R368 VanDerWaalsContact CD2-CD 3.41Å; R349-R368 VanDerWaalsContact CG-CZ 3.46Å; R349-R368 VanDerWaalsContact CG-NH1 3.27Å; S352-R368 VanDerWaalsContact CB-NH1 3.25Å; S352-R368 PolarHBondContact O-NH1 2.84Å; S352-R368 PolarHBondContact OG-NH1 3.38Å; Y353-R368 VanDerWaalsContact O-CA 3.25Å; Y353-R368 WeakPolarHBondContact O-CA 3.42Å; Y353-R368 VanDerWaalsContact O-CB 3.27Å; Y353-R368 WeakPolarHBondContact O-CB 3.26Å; M366-R368 HydrophobicContact CG-CG 3.89Å; M366-R368 HydrophobicContact SD-CG 4.23Å; R368-C378 WeakPolarHBondContact O-CA 3.13Å; R368-C378 PolarHBondContact O-SG 3.33Å; R368-C378 VanDerWaalsContact O-SG 3.33Å; R368-V379 HydrophobicContact CB-CG2 3.88Å; R368-V379 PolarHBondContact N-O 2.85Å; R368-V379 PolarHBondContact O-N 2.78Å; R368-D381 IonicContact CZ-OD2 2.75Å; R368-D381 IonicContact NE-OD2 3.88Å; R368-D381 PolarHBondContact NE-OD2 3.05Å; R368-D381 IonicContact NH2-OD2 3.9Å; R368-D381 PolarHBondContact NH2-OD2 2.85Å
369N84.5Confident85.3Confident11 Ų1143.2 Ų43.26%0.05923%0.226CC..EExtended strand (participates in β ladder)trans-69158.9168.263.5-57.4000111Q351 S352 Y353 L355 L377 V379Q351-N369 PolarHBondContact O-ND2 3.05Å; S352-N369 WeakPolarHBondContact CA-OD1 3.32Å; S352-N369 WeakPolarHBondContact CB-O 3.23Å; S352-N369 PolarHBondContact OG-O 2.86Å; Y353-N369 VanDerWaalsContact CD1-OD1 3.28Å; Y353-N369 WeakPolarHBondContact CD1-OD1 3.29Å; Y353-N369 PolarHBondContact N-OD1 2.59Å; Y353-N369 PolarHBondContact O-OD1 2.93Å; L355-N369 HydrophobicContact CD1-CB 4Å; N369-L377 CarbonylContact C-O 3.59Å; N369-V379 WeakPolarHBondContact O-CG2 3.2Å
370G79.2Confident85Confident0 Ų042.8 Ų42.80%022%0.221CC..PPolyproline II helixtrans-64.1158.5171.100000112.1D374 L377G370-D374 VanDerWaalsContact CA-O 3.25Å; G370-D374 WeakPolarHBondContact CA-O 3.31Å; G370-D374 PolarHBondContact N-O 3.4Å; G370-L377 PolarHBondContact N-O 2.62Å
371P77.1Confident85Confident73 Ų7342.3 Ų42.347%0.47422%0.219SC..SBendtrans-70141.4179.230.1-33.8000111.5E373 D374P371-E373 PolarHBondContact O-N 3.13Å; P371-D374 PolarHBondContact O-N 2.82Å
372G76.9Confident85.1Confident26 Ų2639.3 Ų39.327%0.26821%0.208SC..THydrogen-bonded Turntrans61-124.817400000113.6D374G372-D374 VanDerWaalsContact C-N 3.28Å; G372-D374 PolarHBondContact O-N 3.04Å
373E71.1Confident85.2Confident172 Ų17239 Ų3980%0.80421%0.206SC*.THydrogen-bonded Turntrans-76.4-13.1-176.5-60.8-60.8148.300113.3P371 F375P371-E373 PolarHBondContact O-N 3.13Å; E373-F375 VanDerWaalsContact O-CD1 3.28Å; E373-F375 WeakPolarHBondContact O-CD1 3.29Å; E373-F375 PolarHBondContact O-N 3.16Å
374D73.3Confident85.2Confident105 Ų10539.2 Ų39.256%0.56121%0.207SC*.  trans-84.136179.4-70.7-26.2000112.4G370 P371 G372 L376 L377G370-D374 VanDerWaalsContact CA-O 3.25Å; G370-D374 WeakPolarHBondContact CA-O 3.31Å; G370-D374 PolarHBondContact N-O 3.4Å; P371-D374 PolarHBondContact O-N 2.82Å; G372-D374 VanDerWaalsContact C-N 3.28Å; G372-D374 PolarHBondContact O-N 3.04Å; D374-L376 PolarHBondContact O-N 3.14Å; D374-L377 HydrophobicContact CB-CB 4.41Å; D374-L377 WeakPolarHBondContact O-CB 3.45Å; D374-L377 PolarHBondContact O-N 3.26Å
375F68.3Low85.1Confident122 Ų12240.4 Ų40.454%0.53521%0.213SC..THydrogen-bonded Turntrans-59.7-20.5-175.267-90.2000114E373E373-F375 VanDerWaalsContact O-CD1 3.28Å; E373-F375 WeakPolarHBondContact O-CD1 3.29Å; E373-F375 PolarHBondContact O-N 3.16Å
376L71.1Confident85Confident121 Ų12143.7 Ų43.763%0.63423%0.234SC*.THydrogen-bonded Turntrans-75.6-24.1175.6-65.9177.9000112.7D374 N399D374-L376 PolarHBondContact O-N 3.14Å; L376-N399 WeakPolarHBondContact O-CB 3.3Å; L376-N399 PolarHBondContact O-ND2 3.02Å
377L76.8Confident85.1Confident70 Ų7046.9 Ų46.937%0.36626%0.257SS..SBendtrans-67.8140.9172.6-174.767.8000108.9N369 G370 D374 V379N369-L377 CarbonylContact C-O 3.59Å; G370-L377 PolarHBondContact N-O 2.62Å; D374-L377 HydrophobicContact CB-CB 4.41Å; D374-L377 WeakPolarHBondContact O-CB 3.45Å; D374-L377 PolarHBondContact O-N 3.26Å; L377-V379 HydrophobicContact CD2-CG1 3.9Å; L377-V379 HydrophobicContact CG-CG1 4.16Å
378C81.9Confident85.2Confident2 Ų248.5 Ų48.51%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-107.8127.1167.9-169.20000109.2R368 N399 L404R368-C378 WeakPolarHBondContact O-CA 3.13Å; R368-C378 PolarHBondContact O-SG 3.33Å; R368-C378 VanDerWaalsContact O-SG 3.33Å; C378-N399 HydrophobicContact CB-CB 3.97Å; C378-L404 HydrophobicContact CB-CD1 3.75Å; C378-L404 WeakPolarHBondContact SG-CD1 3.46Å
379V87.6Confident85.6Confident35 Ų3553.6 Ų53.621%0.21230%0.297CS..EExtended strand (participates in β ladder)trans-114.9155.8176.4-59.60000109R368 N369 L377R368-V379 HydrophobicContact CB-CG2 3.88Å; R368-V379 PolarHBondContact N-O 2.85Å; R368-V379 PolarHBondContact O-N 2.78Å; N369-V379 WeakPolarHBondContact O-CG2 3.2Å; L377-V379 HydrophobicContact CD2-CG1 3.9Å; L377-V379 HydrophobicContact CG-CG1 4.16Å
380M91.2Very high86.1Confident4 Ų456 Ų562%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-132.3135.6-177-176170.266.600110.5Y365 M366 M367 M393 Y397 W432Y365-M380 HydrophobicContact CD1-CE 4.13Å; Y365-M380 HydrophobicContact CD1-CG 4.49Å; Y365-M380 HydrophobicContact CD1-SD 3.92Å; Y365-M380 HydrophobicContact CG-SD 4.35Å; M366-M380 VanDerWaalsContact O-CA 3.3Å; M366-M380 WeakPolarHBondContact O-CA 3.34Å; M367-M380 HydrophobicContact CE-SD 3.63Å; M380-M393 HydrophobicContact CB-CB 4.04Å; M380-M393 HydrophobicContact CB-CG 4.35Å; M380-M393 HydrophobicContact CE-CB 3.7Å; M380-M393 HydrophobicContact CE-CE 3.95Å; M380-M393 HydrophobicContact CE-CG 3.72Å; M380-M393 HydrophobicContact CG-CB 4.2Å; M380-M393 HydrophobicContact CG-CG 3.97Å; M380-M393 WeakPolarHBondContact O-CB 3.49Å; M380-M393 PolarHBondContact O-N 2.86Å; M380-Y397 HydrophobicContact CB-CE2 4.16Å; M380-Y397 HydrophobicContact CE-CE1 4.35Å; M380-Y397 HydrophobicContact CE-CE2 3.85Å; M380-Y397 WeakPolarHBondContact CE-OH 3.19Å; M380-W432 HydrophobicContact CE-CD2 3.75Å; M380-W432 HydrophobicContact CE-CE3 4.36Å; M380-W432 HydrophobicContact CE-CG 3.85Å; M380-W432 HydrophobicContact CE-CZ2 4.41Å; M380-W432 HydrophobicContact SD-CD2 4.13Å; M380-W432 HydrophobicContact SD-CE3 4.37Å; M380-W432 HydrophobicContact SD-CH2 4.18Å; M380-W432 HydrophobicContact SD-CZ2 3.89Å; M380-W432 HydrophobicContact SD-CZ3 4.38Å
381D93.6Very high86.9Confident3 Ų359.3 Ų59.32%0.01633%0.326CS..EExtended strand (participates in β ladder)trans-119.4144.8168.8-68.8-101.8000108.4L347 R349 M366 R368 W390L347-D381 HydrophobicContact CD2-CB 4.03Å; R349-D381 IonicContact CZ-OD1 3.06Å; R349-D381 IonicContact NE-OD1 2.74Å; R349-D381 PolarHBondContact NE-OD1 3.22Å; R349-D381 IonicContact NE-OD2 3.74Å; R349-D381 IonicContact NH2-OD1 2.66Å; R349-D381 PolarHBondContact NH2-OD1 3.12Å; M366-D381 PolarHBondContact N-O 3.34Å; M366-D381 PolarHBondContact O-N 3.03Å; R368-D381 IonicContact CZ-OD2 2.75Å; R368-D381 IonicContact NE-OD2 3.88Å; R368-D381 PolarHBondContact NE-OD2 3.05Å; R368-D381 IonicContact NH2-OD2 3.9Å; R368-D381 PolarHBondContact NH2-OD2 2.85Å; D381-W390 HydrophobicContact CB-CE3 3.8Å; D381-W390 HydrophobicContact CB-CZ3 3.86Å
382C95.9Very high87.6Confident8 Ų858.8 Ų58.85%0.05433%0.327CS..EExtended strand (participates in β ladder)trans-113.8124179.9178.10000109L364 Y365 W390 T391 M393L364-C382 CarbonylContact O-C 3.55Å; L364-C382 WeakPolarHBondContact O-CA 3.43Å; Y365-C382 HydrophobicContact CD1-CB 4Å; Y365-C382 HydrophobicContact CE1-CB 3.97Å; C382-W390 CarbonylContact O-C 3.48Å; C382-W390 WeakPolarHBondContact O-CA 3.3Å; C382-T391 PolarHBondContact N-O 2.71Å; C382-T391 PolarHBondContact O-N 2.8Å; C382-M393 HydrophobicContact CB-CG 3.89Å; C382-M393 HydrophobicContact CB-SD 3.61Å
383Y97.5Very high88.3Confident19 Ų1958.3 Ų58.38%0.07532%0.318CS..EExtended strand (participates in β ladder)trans-101.9120.7170.3-177.3-110.7000109.8V344 T345 N363 L364 L385 G388 W390V344-Y383 HydrophobicContact CG1-CE1 3.65Å; T345-Y383 HydrophobicContact CG2-CD1 4.05Å; T345-Y383 HydrophobicContact CG2-CD2 3.9Å; T345-Y383 HydrophobicContact CG2-CE1 3.91Å; T345-Y383 HydrophobicContact CG2-CE2 3.75Å; T345-Y383 HydrophobicContact CG2-CG 4.04Å; N363-Y383 WeakPolarHBondContact CA-O 3.33Å; L364-Y383 HydrophobicContact CD1-CD1 4.44Å; L364-Y383 PolarHBondContact N-O 2.86Å; L364-Y383 PolarHBondContact O-N 2.98Å; Y383-L385 HydrophobicContact CD1-CD2 4.12Å; Y383-L385 HydrophobicContact CE1-CD2 4.01Å; Y383-G388 VanDerWaalsContact CE2-C 3.48Å; Y383-G388 WeakPolarHBondContact CE2-O 3.09Å; Y383-W390 AromaticContact CD2-CD1 3.65Å; Y383-W390 AromaticContact CD2-CD2 3.77Å; Y383-W390 HydrophobicContact CD2-CD2 3.77Å; Y383-W390 AromaticContact CD2-CE2 3.52Å; Y383-W390 AromaticContact CD2-CG 3.88Å; Y383-W390 HydrophobicContact CD2-CG 3.88Å; Y383-W390 HydrophobicContact CD2-CZ2 4.09Å; Y383-W390 AromaticContact CD2-NE1 3.41Å; Y383-W390 AromaticContact CE2-NE1 3.84Å; Y383-W390 HydrophobicContact CG-CD2 4.25Å; Y383-W390 AromaticContact CG-CE2 3.95Å; Y383-W390 HydrophobicContact CG-CH2 4.46Å; Y383-W390 HydrophobicContact CG-CZ2 4.08Å
384N96.5Very high88.9Confident29 Ų2952.8 Ų52.816%0.15530%0.299CS..EExtended strand (participates in β ladder)trans-89.8118.3175.5-176.1-80.4000109.9D362 N363 T386 S387 G388 Q389D362-N384 VanDerWaalsContact CG-ND2 3.26Å; D362-N384 PolarHBondContact OD1-ND2 3.25Å; D362-N384 PolarHBondContact OD2-ND2 3.01Å; D362-N384 PolarHBondContact OD2-OD1 3.36Å; N363-N384 WeakPolarHBondContact OD1-CB 3.39Å; N363-N384 PolarHBondContact OD1-ND2 2.86Å; N384-T386 VanDerWaalsContact C-N 3.28Å; N384-T386 PolarHBondContact O-N 2.8Å; N384-T386 WeakPolarHBondContact OD1-CA 3.35Å; N384-T386 WeakPolarHBondContact OD1-CB 3.24Å; N384-T386 PolarHBondContact OD1-N 2.81Å; N384-S387 WeakPolarHBondContact CB-OG 3.3Å; N384-S387 PolarHBondContact OD1-N 3.18Å; N384-S387 PolarHBondContact OD1-OG 3.08Å; N384-G388 VanDerWaalsContact O-CA 3.28Å; N384-G388 WeakPolarHBondContact O-CA 3.38Å; N384-G388 PolarHBondContact O-N 2.91Å; N384-Q389 PolarHBondContact N-O 2.83Å
385L95.8Very high88.8Confident27 Ų2749.4 Ų49.414%0.14129%0.289CS..THydrogen-bonded Turntrans-66.6-28.3-177.3-67.4169.1000112.6A314 M315 F319 D362 L364 Y383A314-L385 HydrophobicContact CB-CD1 4.1Å; M315-L385 HydrophobicContact SD-CD1 4.24Å; F319-L385 HydrophobicContact CE1-CD2 3.73Å; F319-L385 HydrophobicContact CE2-CD1 3.95Å; F319-L385 HydrophobicContact CE2-CD2 4.37Å; F319-L385 HydrophobicContact CZ-CD1 3.77Å; F319-L385 HydrophobicContact CZ-CD2 3.56Å; F319-L385 HydrophobicContact CZ-CG 4.35Å; D362-L385 VanDerWaalsContact O-CB 3.27Å; D362-L385 WeakPolarHBondContact O-CB 3.47Å; D362-L385 WeakPolarHBondContact O-CG 3.35Å; D362-L385 PolarHBondContact O-N 2.96Å; L364-L385 HydrophobicContact CD1-CD2 3.97Å; L364-L385 HydrophobicContact CG-CD1 4.39Å; L364-L385 HydrophobicContact CG-CD2 4.33Å; L364-L385 HydrophobicContact CG-CG 4.36Å; Y383-L385 HydrophobicContact CD1-CD2 4.12Å; Y383-L385 HydrophobicContact CE1-CD2 4.01Å
386T93Very high88.8Confident77 Ų7752.3 Ų52.347%0.47230%0.304SS..THydrogen-bonded Turntrans-82-43.4-178.5-62.40000112M81 D362 N384M81-T386 HydrophobicContact CG-CG2 4.25Å; D362-T386 PolarHBondContact OD2-OG1 2.96Å; N384-T386 VanDerWaalsContact C-N 3.28Å; N384-T386 PolarHBondContact O-N 2.8Å; N384-T386 WeakPolarHBondContact OD1-CA 3.35Å; N384-T386 WeakPolarHBondContact OD1-CB 3.24Å; N384-T386 PolarHBondContact OD1-N 2.81Å
387S94.6Very high88.8Confident69 Ų6947 Ų4748%0.48328%0.275SS..THydrogen-bonded Turntrans-90.6-14.8-179.178.90000113.5N384 Q389N384-S387 WeakPolarHBondContact CB-OG 3.3Å; N384-S387 PolarHBondContact OD1-N 3.18Å; N384-S387 PolarHBondContact OD1-OG 3.08Å; S387-Q389 PolarHBondContact O-N 3.35Å; S387-Q389 PolarHBondContact O-NE2 3.38Å; S387-Q389 WeakPolarHBondContact OG-CB 3.35Å; S387-Q389 PolarHBondContact OG-N 3.1Å
388G95.6Very high87.9Confident33 Ų3347.4 Ų47.434%0.3428%0.284SS..THydrogen-bonded Turntrans65.323.6-174.800000113.8Y383 N384Y383-G388 VanDerWaalsContact CE2-C 3.48Å; Y383-G388 WeakPolarHBondContact CE2-O 3.09Å; N384-G388 VanDerWaalsContact O-CA 3.28Å; N384-G388 WeakPolarHBondContact O-CA 3.38Å; N384-G388 PolarHBondContact O-N 2.91Å
389Q95.9Very high86.9Confident119 Ų11949.4 Ų49.456%0.55630%0.295SS*.EExtended strand (participates in β ladder)trans-108.7142.1-173.8-62.2-56.7-52.100112.2N384 S387N384-Q389 PolarHBondContact N-O 2.83Å; S387-Q389 PolarHBondContact O-N 3.35Å; S387-Q389 PolarHBondContact O-NE2 3.38Å; S387-Q389 WeakPolarHBondContact OG-CB 3.35Å; S387-Q389 PolarHBondContact OG-N 3.1Å
390W96.2Very high85.2Confident62 Ų6250.3 Ų50.324%0.23530%0.303CS..EExtended strand (participates in β ladder)trans-91.9132.5168.9-76.498.9000110.7V331 T345 L347 M366 D381 C382 Y383V331-W390 HydrophobicContact CG2-CH2 4.28Å; V331-W390 HydrophobicContact CG2-CZ2 4.13Å; T345-W390 HydrophobicContact CG2-CZ2 3.51Å; T345-W390 PolarHBondContact OG1-NE1 3.39Å; L347-W390 HydrophobicContact CB-CH2 3.97Å; L347-W390 HydrophobicContact CB-CZ2 3.74Å; L347-W390 HydrophobicContact CB-CZ3 4.48Å; L347-W390 HydrophobicContact CD1-CD2 3.91Å; L347-W390 HydrophobicContact CD1-CE3 3.99Å; L347-W390 HydrophobicContact CD1-CG 4.32Å; L347-W390 HydrophobicContact CD1-CZ3 4.34Å; L347-W390 HydrophobicContact CD2-CE3 4.4Å; L347-W390 HydrophobicContact CD2-CH2 4.11Å; L347-W390 HydrophobicContact CD2-CZ3 3.97Å; L347-W390 HydrophobicContact CG-CH2 4.46Å; M366-W390 HydrophobicContact CB-CZ3 4.36Å; M366-W390 HydrophobicContact CE-CH2 3.82Å; M366-W390 HydrophobicContact SD-CH2 4.22Å; D381-W390 HydrophobicContact CB-CE3 3.8Å; D381-W390 HydrophobicContact CB-CZ3 3.86Å; C382-W390 CarbonylContact O-C 3.48Å; C382-W390 WeakPolarHBondContact O-CA 3.3Å; Y383-W390 AromaticContact CD2-CD1 3.65Å; Y383-W390 AromaticContact CD2-CD2 3.77Å; Y383-W390 HydrophobicContact CD2-CD2 3.77Å; Y383-W390 AromaticContact CD2-CE2 3.52Å; Y383-W390 AromaticContact CD2-CG 3.88Å; Y383-W390 HydrophobicContact CD2-CG 3.88Å; Y383-W390 HydrophobicContact CD2-CZ2 4.09Å; Y383-W390 AromaticContact CD2-NE1 3.41Å; Y383-W390 AromaticContact CE2-NE1 3.84Å; Y383-W390 HydrophobicContact CG-CD2 4.25Å; Y383-W390 AromaticContact CG-CE2 3.95Å; Y383-W390 HydrophobicContact CG-CH2 4.46Å; Y383-W390 HydrophobicContact CG-CZ2 4.08Å
391T94.8Very high83.5Confident70 Ų7057.8 Ų57.843%0.42934%0.335SS..EExtended strand (participates in β ladder)trans-124.3126173.4-57.20000109.3C382 M393C382-T391 PolarHBondContact N-O 2.71Å; C382-T391 PolarHBondContact O-N 2.8Å; T391-M393 PolarHBondContact O-N 3.13Å
392A92.3Very high82.1Confident61 Ų6158.3 Ų58.350%0.50434%0.341SS..EExtended strand (participates in β ladder)trans-71.3127.4171.700000109.2
393M91.3Very high80.9Confident16 Ų1658.2 Ų58.28%0.07934%0.34CS..PPolyproline II helixtrans-82.7127-179.7-61.6-65.2-69.700109.5Y365 M380 C382 T391 Q431Y365-M393 HydrophobicContact CD1-CE 4.3Å; Y365-M393 HydrophobicContact CD1-CG 4.48Å; Y365-M393 HydrophobicContact CE1-CE 3.71Å; Y365-M393 HydrophobicContact CE1-SD 4.13Å; M380-M393 HydrophobicContact CB-CB 4.04Å; M380-M393 HydrophobicContact CB-CG 4.35Å; M380-M393 HydrophobicContact CE-CB 3.7Å; M380-M393 HydrophobicContact CE-CE 3.95Å; M380-M393 HydrophobicContact CE-CG 3.72Å; M380-M393 HydrophobicContact CG-CB 4.2Å; M380-M393 HydrophobicContact CG-CG 3.97Å; M380-M393 WeakPolarHBondContact O-CB 3.49Å; M380-M393 PolarHBondContact O-N 2.86Å; C382-M393 HydrophobicContact CB-CG 3.89Å; C382-M393 HydrophobicContact CB-SD 3.61Å; T391-M393 PolarHBondContact O-N 3.13Å; M393-Q431 VanDerWaalsContact CE-N 3.27Å
394S83Confident79.9Confident57 Ų5757.3 Ų57.340%0.39934%0.337SS..PPolyproline II helixtrans-70.9147167.158.10000109.6Y397 T430 Q431S394-Y397 PolarHBondContact O-OH 2.94Å; S394-T430 PolarHBondContact N-O 3.05Å; S394-T430 PolarHBondContact OG-O 2.77Å; S394-Q431 WeakPolarHBondContact O-CA 3.32Å; S394-Q431 WeakPolarHBondContact O-CB 3.37Å
395G71.2Confident79.3Confident34 Ų3459 Ų5935%0.35134%0.343SS..  trans136.2134.1177.200000112.8Y397G395-Y397 WeakPolarHBondContact O-CD2 3.5Å; G395-Y397 WeakPolarHBondContact O-CE2 3.23Å; G395-Y397 PolarHBondContact O-N 3.37Å
396H69.4Low79Confident183 Ų18358.2 Ų58.285%0.84734%0.339SS*.  trans-89.694.2168.8-67.1-69.3000108.4S398H396-S398 PolarHBondContact O-N 3.16Å
397Y71.4Confident79.1Confident9 Ų954.6 Ų54.64%0.03532%0.317CS..BIsolated β-bridgetrans-82.6106.5173-51.5-72.9000108.1M380 S394 G395 N399 L404 Q431 W432M380-Y397 HydrophobicContact CB-CE2 4.16Å; M380-Y397 HydrophobicContact CE-CE1 4.35Å; M380-Y397 HydrophobicContact CE-CE2 3.85Å; M380-Y397 WeakPolarHBondContact CE-OH 3.19Å; S394-Y397 PolarHBondContact O-OH 2.94Å; G395-Y397 WeakPolarHBondContact O-CD2 3.5Å; G395-Y397 WeakPolarHBondContact O-CE2 3.23Å; G395-Y397 PolarHBondContact O-N 3.37Å; Y397-N399 PolarHBondContact O-N 2.68Å; Y397-L404 VanDerWaalsContact CB-CD1 3.42Å; Y397-L404 HydrophobicContact CG-CD1 4.01Å; Y397-Q431 WeakPolarHBondContact OH-CA 3.34Å; Y397-W432 HydrophobicContact CE1-CB 3.83Å; Y397-W432 PolarHBondContact OH-N 3.19Å
398S57.1Low79.2Confident78 Ų7852.4 Ų52.455%0.54530%0.301SS..  trans-58.7108.9174.552.90000108.8H396 S400H396-S398 PolarHBondContact O-N 3.16Å; S398-S400 PolarHBondContact O-N 2.8Å
399N61.9Low79.2Confident45 Ų4552.2 Ų52.224%0.24129%0.293CS..  trans-78.360.1171.5-171.417.1000109.4L376 C378 Y397 K401 G402L376-N399 WeakPolarHBondContact O-CB 3.3Å; L376-N399 PolarHBondContact O-ND2 3.02Å; C378-N399 HydrophobicContact CB-CB 3.97Å; Y397-N399 PolarHBondContact O-N 2.68Å; N399-K401 PolarHBondContact O-N 3.16Å; N399-G402 VanDerWaalsContact OD1-CA 3.23Å; N399-G402 WeakPolarHBondContact OD1-CA 3.33Å; N399-G402 PolarHBondContact OD1-N 2.57Å
400S51.9Low79.2Confident54 Ų5447.5 Ų47.538%0.37827%0.27SS..SBendtrans-69.380170.658.30000108S398S398-S400 PolarHBondContact O-N 2.8Å
401K54.3Low79.1Confident161 Ų16145 Ų4570%0.726%0.264SS*.SBendtrans66.643173.5-49.4178.5179.5-177.50115.4N399N399-K401 PolarHBondContact O-N 3.16Å
402G64Low79.1Confident14 Ų1442.4 Ų42.414%0.14425%0.247CC..SBendtrans79.721.3170.500000115.4N399 L404 F405N399-G402 VanDerWaalsContact OD1-CA 3.23Å; N399-G402 WeakPolarHBondContact OD1-CA 3.33Å; N399-G402 PolarHBondContact OD1-N 2.57Å; G402-L404 PolarHBondContact O-N 3.33Å; G402-F405 WeakPolarHBondContact O-CB 3.5Å; G402-F405 PolarHBondContact O-N 2.92Å
403S71Confident79.2Confident5 Ų539.6 Ų39.64%0.03522%0.224CC..G310 helixtrans-55.9-38.4-180570000113F405 T406 T416 L417S403-F405 PolarHBondContact O-N 3.37Å; S403-F405 VanDerWaalsContact O-N 3.14Å; S403-T406 PolarHBondContact O-N 2.72Å; S403-T406 VanDerWaalsContact O-N 3.09Å; S403-T406 PolarHBondContact O-OG1 2.94Å; S403-T416 WeakPolarHBondContact O-CB 3.33Å; S403-L417 WeakPolarHBondContact CA-O 3.34Å
404L76.9Confident79.4Confident1 Ų138.9 Ų38.91%0.00522%0.22CC..G310 helixtrans-61.1-21.5176.6-71.4-178.2000114M367 C378 Y397 G402 T406 A407 T416 W432M367-L404 HydrophobicContact CG-CB 4.26Å; M367-L404 HydrophobicContact CG-CD1 4.43Å; C378-L404 HydrophobicContact CB-CD1 3.75Å; C378-L404 WeakPolarHBondContact SG-CD1 3.46Å; Y397-L404 VanDerWaalsContact CB-CD1 3.42Å; Y397-L404 HydrophobicContact CG-CD1 4.01Å; G402-L404 PolarHBondContact O-N 3.33Å; L404-T406 PolarHBondContact O-N 3.06Å; L404-A407 VanDerWaalsContact O-CB 3.29Å; L404-A407 WeakPolarHBondContact O-CB 2.97Å; L404-A407 PolarHBondContact O-N 2.75Å; L404-T416 HydrophobicContact CD2-CG2 4.19Å; L404-W432 HydrophobicContact CD2-CZ3 4.34Å
405F84.3Confident80Confident64 Ų6436.2 Ų36.228%0.28120%0.202SC..G310 helixtrans-80.58.1178.3-48.1-30.4000113.1L355 Y356 M367 G402 S403L355-F405 HydrophobicContact CB-CD1 4.37Å; L355-F405 HydrophobicContact CB-CE1 3.69Å; L355-F405 HydrophobicContact CB-CZ 3.9Å; L355-F405 HydrophobicContact CD1-CE1 4.03Å; L355-F405 HydrophobicContact CD1-CE2 4.35Å; L355-F405 HydrophobicContact CD1-CZ 3.5Å; L355-F405 VanDerWaalsContact CD1-CZ 3.5Å; L355-F405 HydrophobicContact CG-CZ 4.34Å; Y356-F405 HydrophobicContact CD2-CB 4.12Å; Y356-F405 WeakPolarHBondContact CE2-O 3.33Å; Y356-F405 HydrophobicContact CG-CB 4.26Å; Y356-F405 HydrophobicContact CG-CD1 4.36Å; Y356-F405 VanDerWaalsContact CZ-O 3.27Å; M367-F405 HydrophobicContact CB-CE1 4.39Å; G402-F405 WeakPolarHBondContact O-CB 3.5Å; G402-F405 PolarHBondContact O-N 2.92Å; S403-F405 PolarHBondContact O-N 3.37Å; S403-F405 VanDerWaalsContact O-N 3.14Å
406T89.6Confident81.1Confident10 Ų1034.6 Ų34.66%0.06119%0.185CC..G310 helixtrans-120.218.7173.7660000111Y168 S403 L404 V408 L417 I447 T449Y168-T406 PolarHBondContact OH-O 3.05Å; S403-T406 PolarHBondContact O-N 2.72Å; S403-T406 VanDerWaalsContact O-N 3.09Å; S403-T406 PolarHBondContact O-OG1 2.94Å; L404-T406 PolarHBondContact O-N 3.06Å; T406-V408 PolarHBondContact O-N 3.33Å; T406-L417 WeakPolarHBondContact OG1-CA 3.17Å; T406-L417 PolarHBondContact OG1-N 2.74Å; T406-L417 PolarHBondContact OG1-O 3.39Å; T406-L417 VanDerWaalsContact OG1-O 3.05Å; T406-I447 HydrophobicContact CG2-CB 4.47Å; T406-T449 VanDerWaalsContact CA-OG1 3.31Å; T406-T449 WeakPolarHBondContact CA-OG1 3.26Å; T406-T449 WeakPolarHBondContact CB-OG1 3.32Å; T406-T449 HydrophobicContact CG2-CG2 4.25Å; T406-T449 PolarHBondContact O-OG1 3.32Å
407A94.3Very high82.2Confident2 Ų226 Ų262%0.01715%0.145CC..  trans-63.9124.1-177.800000111.1Y356 M367 L404 V414 F415 T416 W432Y356-A407 HydrophobicContact CD1-CB 4.42Å; Y356-A407 HydrophobicContact CE1-CB 4.04Å; M367-A407 HydrophobicContact CE-CB 4.45Å; L404-A407 VanDerWaalsContact O-CB 3.29Å; L404-A407 WeakPolarHBondContact O-CB 2.97Å; L404-A407 PolarHBondContact O-N 2.75Å; A407-V414 HydrophobicContact CB-CG1 3.79Å; A407-F415 CarbonylContact C-O 3.43Å; A407-F415 VanDerWaalsContact CA-O 3.27Å; A407-F415 WeakPolarHBondContact CA-O 3.14Å; A407-T416 HydrophobicContact CB-CG2 4.16Å; A407-W432 HydrophobicContact CB-CH2 4.2Å; A407-W432 HydrophobicContact CB-CZ3 4.27Å
408V96.2Very high83.1Confident22 Ų2226 Ų2613%0.13315%0.147CC..EExtended strand (participates in β ladder)trans-131.9129.5172.7-172.20000109.5Y168 T406 F415 T449 Q451Y168-V408 HydrophobicContact CD2-CB 4.21Å; Y168-V408 HydrophobicContact CD2-CG2 4.45Å; Y168-V408 HydrophobicContact CE2-CB 3.76Å; Y168-V408 HydrophobicContact CE2-CG2 3.7Å; T406-V408 PolarHBondContact O-N 3.33Å; V408-F415 PolarHBondContact N-O 2.94Å; V408-F415 PolarHBondContact O-N 3.47Å; V408-T449 WeakPolarHBondContact CG2-O 3.41Å; V408-Q451 HydrophobicContact CG1-CG 3.83Å
409V96.3Very high84.5Confident29 Ų2928.1 Ų28.118%0.17614%0.143CC..EExtended strand (participates in β ladder)trans-86.2125.7-176.4168.80000110.5V358 G359 H360 G411 S413 V414 Q451V358-V409 HydrophobicContact CG1-CG2 4.35Å; V358-V409 HydrophobicContact CG2-CB 4.47Å; V358-V409 HydrophobicContact CG2-CG2 3.59Å; G359-V409 WeakPolarHBondContact O-CG2 3.38Å; H360-V409 HydrophobicContact CB-CG1 3.96Å; H360-V409 HydrophobicContact CB-CG2 3.91Å; V409-G411 WeakPolarHBondContact CG1-O 3.33Å; V409-S413 CarbonylContact C-O 3.59Å; V409-S413 WeakPolarHBondContact CA-O 3.37Å; V409-V414 HydrophobicContact CG2-CG2 3.77Å; V409-Q451 PolarHBondContact O-NE2 3.05Å; V409-Q451 PolarHBondContact O-OE1 3.46Å
410R95.4Very high85.7Confident20 Ų2032 Ų328%0.07516%0.159CC..EExtended strand (participates in β ladder)trans-121109.8169.8-168.817666.2-171.4-2.4109.2D140 S166 E193 D412 S413 F415 Q451D140-R410 HydrophobicContact CB-CG 3.79Å; S166-R410 WeakPolarHBondContact O-CD 3.34Å; S166-R410 PolarHBondContact O-NH1 3.11Å; E193-R410 IonicContact OE1-CZ 3.25Å; E193-R410 IonicContact OE1-NH1 2.66Å; E193-R410 PolarHBondContact OE1-NH1 2.9Å; E193-R410 IonicContact OE1-NH2 3.74Å; E193-R410 PolarHBondContact OE1-NH2 2.88Å; E193-R410 IonicContact OE2-CZ 3.18Å; E193-R410 IonicContact OE2-NH1 2.76Å; E193-R410 IonicContact OE2-NH2 2.73Å; E193-R410 PolarHBondContact OE2-NH2 3.03Å; R410-D412 PolarHBondContact O-N 2.81Å; R410-S413 PolarHBondContact N-O 3.01Å; R410-S413 PolarHBondContact O-N 2.87Å; R410-F415 HydrophobicContact CB-CD2 4.21Å; R410-F415 HydrophobicContact CB-CE2 3.98Å; R410-Q451 VanDerWaalsContact CA-NE2 3.32Å
411G94.3Very high87.6Confident10 Ų1030.8 Ų30.810%0.10315%0.149CC..THydrogen-bonded Turntrans56.9-120.2-171.600000110.4H360 V409H360-G411 PolarHBondContact CD2-O 2.85Å; H360-G411 PolarHBondContact NE2-O 3.33Å; V409-G411 WeakPolarHBondContact CG1-O 3.33Å
412D94.6Very high89.5Confident15 Ų1523.1 Ų23.18%0.0812%0.116CC..THydrogen-bonded Turntrans-103.619.2173.8-63.5-29.2000114.2S112 M141 H360 R361 R410 V427S112-D412 WeakPolarHBondContact CB-OD2 3.18Å; S112-D412 PolarHBondContact OG-OD2 2.8Å; M141-D412 HydrophobicContact CE-CB 4.35Å; M141-D412 HydrophobicContact SD-CB 4.28Å; M141-D412 PolarHBondContact SD-N 3.21Å; H360-D412 IonicContact CD2-OD1 3.84Å; H360-D412 IonicContact CE1-OD1 2.67Å; H360-D412 PolarHBondContact CE1-OD1 2.91Å; H360-D412 VanDerWaalsContact CE1-OD1 3.3Å; H360-D412 IonicContact NE2-OD1 3.03Å; H360-D412 PolarHBondContact NE2-OD1 3.45Å; R361-D412 IonicContact CZ-OD1 2.78Å; R361-D412 IonicContact CZ-OD2 3.64Å; R361-D412 IonicContact NE-OD1 3.14Å; R361-D412 PolarHBondContact NE-OD1 2.81Å; R361-D412 VanDerWaalsContact NE-OD1 3.11Å; R361-D412 IonicContact NH2-OD1 3.21Å; R361-D412 PolarHBondContact NH2-OD1 3.14Å; R361-D412 IonicContact NH2-OD2 2.72Å; R361-D412 PolarHBondContact NH2-OD2 3.28Å; R410-D412 PolarHBondContact O-N 2.81Å; D412-V427 PolarHBondContact O-N 2.93Å
413S95.3Very high90.9Very high3 Ų322.7 Ų22.72%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-111.9149.8174.3-58.40000111.1V409 R410 E424 Y425V409-S413 CarbonylContact C-O 3.59Å; V409-S413 WeakPolarHBondContact CA-O 3.37Å; R410-S413 PolarHBondContact N-O 3.01Å; R410-S413 PolarHBondContact O-N 2.87Å; S413-E424 PolarHBondContact OG-OE1 2.82Å; S413-Y425 CarbonylContact C-O 3.52Å; S413-Y425 WeakPolarHBondContact CA-O 3.19Å; S413-Y425 WeakPolarHBondContact CB-O 3.29Å
414V95.6Very high92Very high0 Ų022.6 Ų22.60%011%0.109CC..EExtended strand (participates in β ladder)trans-118.6127.8173.8-179.80000109.1A407 V409 T416 E424 Y425 V427 W432A407-V414 HydrophobicContact CB-CG1 3.79Å; V409-V414 HydrophobicContact CG2-CG2 3.77Å; V414-T416 HydrophobicContact CG1-CG2 4.21Å; V414-E424 CarbonylContact O-C 3.52Å; V414-E424 WeakPolarHBondContact O-CA 3.33Å; V414-Y425 PolarHBondContact N-O 3.2Å; V414-Y425 PolarHBondContact O-N 2.49Å; V414-V427 HydrophobicContact CG2-CG2 3.54Å; V414-W432 HydrophobicContact CB-CE3 4.27Å; V414-W432 HydrophobicContact CB-CH2 4.24Å; V414-W432 HydrophobicContact CB-CZ3 4.11Å; V414-W432 HydrophobicContact CG1-CE3 4.18Å; V414-W432 HydrophobicContact CG1-CH2 3.71Å; V414-W432 HydrophobicContact CG1-CZ2 4.48Å; V414-W432 HydrophobicContact CG1-CZ3 3.56Å; V414-W432 HydrophobicContact CG2-CD2 4.28Å; V414-W432 HydrophobicContact CG2-CE3 4.37Å; V414-W432 HydrophobicContact CG2-CH2 3.88Å; V414-W432 HydrophobicContact CG2-CZ2 3.82Å; V414-W432 HydrophobicContact CG2-CZ3 4.2Å
415F95.4Very high92.9Very high1 Ų123.3 Ų23.30%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-99.1132.5174.1-71.9-101000109.6Y168 L191 A407 V408 R410 T423 E424 M438Y168-F415 HydrophobicContact CD1-CB 3.95Å; Y168-F415 HydrophobicContact CD1-CD1 4.19Å; Y168-F415 HydrophobicContact CD1-CG 4.38Å; Y168-F415 HydrophobicContact CD2-CB 3.71Å; Y168-F415 HydrophobicContact CD2-CG 4.34Å; Y168-F415 HydrophobicContact CE1-CB 3.87Å; Y168-F415 HydrophobicContact CE2-CB 3.64Å; Y168-F415 HydrophobicContact CG-CB 3.85Å; Y168-F415 HydrophobicContact CG-CD1 4.24Å; Y168-F415 HydrophobicContact CG-CG 4.15Å; Y168-F415 PolarHBondContact OH-O 3.28Å; L191-F415 HydrophobicContact CD2-CD1 4.39Å; L191-F415 HydrophobicContact CD2-CE1 4.39Å; A407-F415 CarbonylContact C-O 3.43Å; A407-F415 VanDerWaalsContact CA-O 3.27Å; A407-F415 WeakPolarHBondContact CA-O 3.14Å; V408-F415 PolarHBondContact N-O 2.94Å; V408-F415 PolarHBondContact O-N 3.47Å; R410-F415 HydrophobicContact CB-CD2 4.21Å; R410-F415 HydrophobicContact CB-CE2 3.98Å; F415-T423 WeakPolarHBondContact CA-O 3.48Å; F415-E424 HydrophobicContact CD1-CB 4.3Å; F415-E424 HydrophobicContact CE1-CB 3.96Å; F415-E424 HydrophobicContact CE1-CG 3.97Å; F415-E424 HydrophobicContact CE2-CG 3.93Å; F415-E424 HydrophobicContact CZ-CB 4.13Å; F415-E424 HydrophobicContact CZ-CG 3.61Å; F415-M438 HydrophobicContact CD1-CE 4.33Å; F415-M438 HydrophobicContact CE1-CE 4Å
416T94.3Very high93.3Very high0 Ų025.3 Ų25.30%012%0.118CC..EExtended strand (participates in β ladder)trans-126.9149.2171.973.10000109.7S403 L404 A407 V414 T422 T423 Y425S403-T416 WeakPolarHBondContact O-CB 3.33Å; L404-T416 HydrophobicContact CD2-CG2 4.19Å; A407-T416 HydrophobicContact CB-CG2 4.16Å; V414-T416 HydrophobicContact CG1-CG2 4.21Å; T416-T422 CarbonylContact O-C 3.52Å; T416-T422 WeakPolarHBondContact O-CA 3.45Å; T416-T422 WeakPolarHBondContact O-CG2 3.33Å; T416-T423 PolarHBondContact N-O 3.44Å; T416-T423 PolarHBondContact O-N 2.73Å; T416-Y425 HydrophobicContact CG2-CD2 4.19Å; T416-Y425 HydrophobicContact CG2-CE2 3.89Å
417L92.3Very high93.5Very high2 Ų225.8 Ų25.81%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-126.6135.1-173.1-173.154.8000111.1Y168 A170 W198 S403 T406 T422 F441 I447 T449Y168-L417 HydrophobicContact CE1-CB 4.04Å; Y168-L417 HydrophobicContact CE1-CD2 4.48Å; Y168-L417 WeakPolarHBondContact OH-CB 3.49Å; Y168-L417 PolarHBondContact OH-N 3.29Å; A170-L417 HydrophobicContact CB-CD2 3.64Å; W198-L417 HydrophobicContact CH2-CD1 4.46Å; W198-L417 HydrophobicContact CH2-CD2 3.81Å; W198-L417 HydrophobicContact CZ2-CD1 3.43Å; W198-L417 VanDerWaalsContact CZ2-CD1 3.43Å; W198-L417 HydrophobicContact CZ2-CD2 3.57Å; W198-L417 HydrophobicContact CZ2-CG 4.1Å; S403-L417 WeakPolarHBondContact CA-O 3.34Å; T406-L417 WeakPolarHBondContact OG1-CA 3.17Å; T406-L417 PolarHBondContact OG1-N 2.74Å; T406-L417 PolarHBondContact OG1-O 3.39Å; T406-L417 VanDerWaalsContact OG1-O 3.05Å; L417-T422 HydrophobicContact CD1-CG2 4.22Å; L417-T422 WeakPolarHBondContact CD1-OG1 3.37Å; L417-F441 HydrophobicContact CD1-CB 3.84Å; L417-F441 HydrophobicContact CD2-CB 4.07Å; L417-F441 HydrophobicContact CD2-CD1 4.45Å; L417-F441 HydrophobicContact CD2-CD2 4.45Å; L417-F441 HydrophobicContact CD2-CG 4.11Å; L417-F441 HydrophobicContact CG-CB 4.08Å; L417-I447 HydrophobicContact CD2-CD1 4.41Å; L417-I447 HydrophobicContact CD2-CG2 3.85Å; L417-I447 HydrophobicContact CG-CD1 4.41Å; L417-T449 HydrophobicContact CB-CG2 4.11Å; L417-T449 HydrophobicContact CD2-CG2 3.77Å
418S89.3Confident93.4Very high10 Ų1028.3 Ų28.37%0.0713%0.132CC..  trans-131.3176.4166730000110H420 V421 F441S418-H420 PolarHBondContact O-N 2.86Å; S418-H420 PolarHBondContact OG-N 2.93Å; S418-V421 PolarHBondContact N-O 3.3Å; S418-V421 WeakPolarHBondContact OG-CG1 3.29Å; S418-V421 PolarHBondContact OG-N 2.86Å; S418-V421 PolarHBondContact OG-O 2.75Å; S418-F441 PolarHBondContact O-N 2.86Å
419R87Confident92.9Very high122 Ų12236.6 Ų36.646%0.4617%0.166SC..SBendtrans-55.7-35.7171-176.6174.8-174.9-174.3-2.4112.6G440 F441 G442 R443R419-G440 CarbonylContact O-C 3.59Å; R419-F441 PolarHBondContact O-N 2.85Å; R419-G442 WeakPolarHBondContact O-CA 3.42Å; R419-G442 PolarHBondContact O-N 2.83Å; R419-R443 WeakPolarHBondContact CG-O 3.49Å
420H88.3Confident92.4Very high128 Ų12838.5 Ų38.559%0.59318%0.178SC*.SBendtrans-106.2-29.6-165.6-60-43.7000113.6S418 G440S418-H420 PolarHBondContact O-N 2.86Å; S418-H420 PolarHBondContact OG-N 2.93Å; H420-G440 PolarHBondContact O-N 3.43Å
421V91.6Very high92.2Very high27 Ų2740.7 Ų40.716%0.16419%0.19CC..EExtended strand (participates in β ladder)trans-145.4142.9-176.867.80000111.3S418 E437S418-V421 PolarHBondContact N-O 3.3Å; S418-V421 WeakPolarHBondContact OG-CG1 3.29Å; S418-V421 PolarHBondContact OG-N 2.86Å; S418-V421 PolarHBondContact OG-O 2.75Å; V421-E437 HydrophobicContact CG2-CB 3.64Å; V421-E437 HydrophobicContact CG2-CG 3.65Å
422T94.1Very high92.2Very high0 Ų040.6 Ų40.60%019%0.186CC..EExtended strand (participates in β ladder)trans-103.8125.3162.6-51.60000107.9Y168 L191 W198 T416 L417 E437 M438 E439Y168-T422 HydrophobicContact CD1-CG2 4.15Å; Y168-T422 HydrophobicContact CE1-CG2 3.94Å; L191-T422 HydrophobicContact CD2-CG2 3.97Å; W198-T422 HydrophobicContact CZ2-CG2 4.3Å; W198-T422 PolarHBondContact NE1-OG1 3.21Å; T416-T422 CarbonylContact O-C 3.52Å; T416-T422 WeakPolarHBondContact O-CA 3.45Å; T416-T422 WeakPolarHBondContact O-CG2 3.33Å; L417-T422 HydrophobicContact CD1-CG2 4.22Å; L417-T422 WeakPolarHBondContact CD1-OG1 3.37Å; T422-E437 CarbonylContact O-C 3.56Å; T422-E437 WeakPolarHBondContact O-CA 3.16Å; T422-M438 HydrophobicContact CG2-CE 4.16Å; T422-M438 PolarHBondContact N-O 2.66Å; T422-M438 PolarHBondContact O-N 2.53Å; T422-E439 WeakPolarHBondContact CB-O 2.71Å; T422-E439 PolarHBondContact OG1-O 3.4Å
423T93.4Very high92Very high5 Ų547.5 Ų47.53%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-118.3130.4-174.8-51.90000110.4F415 T416 Y425 R434 E437F415-T423 WeakPolarHBondContact CA-O 3.48Å; T416-T423 PolarHBondContact N-O 3.44Å; T416-T423 PolarHBondContact O-N 2.73Å; T423-Y425 HydrophobicContact CG2-CD2 4.01Å; T423-Y425 HydrophobicContact CG2-CE1 4.14Å; T423-Y425 HydrophobicContact CG2-CE2 3.39Å; T423-Y425 VanDerWaalsContact CG2-CZ 3.46Å; T423-R434 HydrophobicContact CG2-CG 3.71Å; T423-E437 HydrophobicContact CG2-CG 4.18Å
424E94.5Very high91.8Very high3 Ų354.7 Ų54.71%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-101.1130169.7-176.5-179.1179.700109.1S413 V414 F415 K435 R436 M438S413-E424 PolarHBondContact OG-OE1 2.82Å; V414-E424 CarbonylContact O-C 3.52Å; V414-E424 WeakPolarHBondContact O-CA 3.33Å; F415-E424 HydrophobicContact CD1-CB 4.3Å; F415-E424 HydrophobicContact CE1-CB 3.96Å; F415-E424 HydrophobicContact CE1-CG 3.97Å; F415-E424 HydrophobicContact CE2-CG 3.93Å; F415-E424 HydrophobicContact CZ-CB 4.13Å; F415-E424 HydrophobicContact CZ-CG 3.61Å; E424-K435 HydrophobicContact CG-CB 4.33Å; E424-K435 HydrophobicContact CG-CD 4.29Å; E424-K435 WeakPolarHBondContact O-CA 3.47Å; E424-K435 WeakPolarHBondContact O-CB 3.47Å; E424-K435 PolarHBondContact O-N 2.57Å; E424-K435 IonicContact OE1-NZ 3.56Å; E424-R436 HydrophobicContact CB-CG 4.14Å; E424-R436 PolarHBondContact N-O 3.49Å; E424-R436 PolarHBondContact O-N 2.9Å; E424-R436 IonicContact OE2-CZ 2.72Å; E424-R436 IonicContact OE2-NE 3.16Å; E424-R436 PolarHBondContact OE2-NE 2.96Å; E424-R436 IonicContact OE2-NH2 2.82Å; E424-R436 PolarHBondContact OE2-NH2 2.74Å; E424-M438 HydrophobicContact CB-CE 4.33Å
425Y94.1Very high91.6Very high16 Ų1658.4 Ų58.46%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-113.4146.5173.3-58.7-98.6000109.9S413 V414 T416 T423 W432 R433 R434S413-Y425 CarbonylContact C-O 3.52Å; S413-Y425 WeakPolarHBondContact CA-O 3.19Å; S413-Y425 WeakPolarHBondContact CB-O 3.29Å; V414-Y425 PolarHBondContact N-O 3.2Å; V414-Y425 PolarHBondContact O-N 2.49Å; T416-Y425 HydrophobicContact CG2-CD2 4.19Å; T416-Y425 HydrophobicContact CG2-CE2 3.89Å; T423-Y425 HydrophobicContact CG2-CD2 4.01Å; T423-Y425 HydrophobicContact CG2-CE1 4.14Å; T423-Y425 HydrophobicContact CG2-CE2 3.39Å; T423-Y425 VanDerWaalsContact CG2-CZ 3.46Å; Y425-W432 HydrophobicContact CD1-CB 4.07Å; Y425-W432 HydrophobicContact CG-CB 4.19Å; Y425-R433 CarbonylContact C-O 3.48Å; Y425-R433 VanDerWaalsContact CA-O 3.28Å; Y425-R433 WeakPolarHBondContact CA-O 3.45Å; Y425-R434 HydrophobicContact CD1-CB 4.13Å; Y425-R434 HydrophobicContact CE1-CB 4.08Å
426R94Very high91.5Very high106 Ų10662.3 Ų62.340%0.427%0.269SS..EExtended strand (participates in β ladder)trans-88.1133.3162179.7170.9-75.2173.9-3.5108.8D144 E428 W432 R433D144-R426 IonicContact OD1-NH2 2.65Å; D144-R426 PolarHBondContact OD1-NH2 2.94Å; D144-R426 IonicContact OD2-CZ 3.8Å; D144-R426 IonicContact OD2-NE 3.72Å; D144-R426 IonicContact OD2-NH2 3.17Å; D144-R426 PolarHBondContact OD2-NH2 2.76Å; R426-E428 PolarHBondContact O-N 2.86Å; R426-W432 WeakPolarHBondContact O-CA 3.25Å; R426-R433 PolarHBondContact N-O 3.02Å; R426-R433 PolarHBondContact O-N 3.37Å
427V93.9Very high91.4Very high20 Ų2066.1 Ų66.112%0.12129%0.286CS..EExtended strand (participates in β ladder)trans-76.7116.3174-175.50000108.6Y365 D412 V414Y365-V427 HydrophobicContact CE2-CG1 4.4Å; Y365-V427 VanDerWaalsContact OH-CG1 3.25Å; Y365-V427 WeakPolarHBondContact OH-CG1 3.37Å; D412-V427 PolarHBondContact O-N 2.93Å; V414-V427 HydrophobicContact CG2-CG2 3.54Å
428E90.8Very high91.5Very high56 Ų5666.5 Ų66.526%0.26229%0.288SS..  trans-110.4167.5171.3-57179.6165.600109.4R426 T430 Q431 R433R426-E428 PolarHBondContact O-N 2.86Å; E428-T430 VanDerWaalsContact C-N 3.26Å; E428-T430 PolarHBondContact O-N 2.9Å; E428-Q431 CarbonylContact C-O 3.57Å; E428-Q431 WeakPolarHBondContact CA-O 3.49Å; E428-Q431 HydrophobicContact CB-CG 4.39Å; E428-Q431 VanDerWaalsContact CB-O 3.31Å; E428-Q431 WeakPolarHBondContact CB-O 3.48Å; E428-Q431 PolarHBondContact N-O 3.46Å; E428-Q431 VanDerWaalsContact O-O 3.11Å; E428-Q431 WeakPolarHBondContact OE2-CG 3.27Å; E428-Q431 PolarHBondContact OE2-NE2 2.99Å; E428-R433 HydrophobicContact CG-CB 4.24Å; E428-R433 WeakPolarHBondContact OE1-CB 3.49Å; E428-R433 WeakPolarHBondContact OE1-CD 3.39Å; E428-R433 IonicContact OE1-NH1 2.71Å
429K86.7Confident91.7Very high195 Ų19570.8 Ų70.885%0.84831%0.307SS*.SBendtrans-56.5-35.8-175-173.4174-178.3174.70114.1
430T86.6Confident91.9Very high69 Ų6965.4 Ų65.442%0.42329%0.289SS..SBendtrans-121.1-6.6-172.861.60000114S394 E428S394-T430 PolarHBondContact N-O 3.05Å; S394-T430 PolarHBondContact OG-O 2.77Å; E428-T430 VanDerWaalsContact C-N 3.26Å; E428-T430 PolarHBondContact O-N 2.9Å
431Q90.8Very high92Very high67 Ų6760 Ų6031%0.31326%0.264SS..  trans-157.9164.3-178.465-176.4-14.900111.2M393 S394 Y397 E428M393-Q431 VanDerWaalsContact CE-N 3.27Å; S394-Q431 WeakPolarHBondContact O-CA 3.32Å; S394-Q431 WeakPolarHBondContact O-CB 3.37Å; Y397-Q431 WeakPolarHBondContact OH-CA 3.34Å; E428-Q431 CarbonylContact C-O 3.57Å; E428-Q431 WeakPolarHBondContact CA-O 3.49Å; E428-Q431 HydrophobicContact CB-CG 4.39Å; E428-Q431 VanDerWaalsContact CB-O 3.31Å; E428-Q431 WeakPolarHBondContact CB-O 3.48Å; E428-Q431 PolarHBondContact N-O 3.46Å; E428-Q431 VanDerWaalsContact O-O 3.11Å; E428-Q431 WeakPolarHBondContact OE2-CG 3.27Å; E428-Q431 PolarHBondContact OE2-NE2 2.99Å
432W92.9Very high91.7Very high8 Ų861 Ų613%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-98.3117.4161.7-63.4-7.3000109.6V358 Y365 M367 M380 Y397 L404 A407 V414 Y425 R426V358-W432 HydrophobicContact CG1-CH2 3.65Å; V358-W432 HydrophobicContact CG1-CZ2 3.82Å; Y365-W432 HydrophobicContact CD1-CZ2 4.03Å; Y365-W432 AromaticContact CD1-NE1 3.56Å; Y365-W432 HydrophobicContact CD2-CZ2 4.12Å; Y365-W432 AromaticContact CE1-NE1 3.48Å; Y365-W432 AromaticContact CG-CZ2 3.71Å; Y365-W432 HydrophobicContact CG-CZ2 3.71Å; Y365-W432 AromaticContact CZ-NE1 3.91Å; M367-W432 HydrophobicContact CE-CH2 3.04Å; M367-W432 HydrophobicContact CE-CZ2 3.77Å; M367-W432 HydrophobicContact CE-CZ3 3.54Å; M380-W432 HydrophobicContact CE-CD2 3.75Å; M380-W432 HydrophobicContact CE-CE3 4.36Å; M380-W432 HydrophobicContact CE-CG 3.85Å; M380-W432 HydrophobicContact CE-CZ2 4.41Å; M380-W432 HydrophobicContact SD-CD2 4.13Å; M380-W432 HydrophobicContact SD-CE3 4.37Å; M380-W432 HydrophobicContact SD-CH2 4.18Å; M380-W432 HydrophobicContact SD-CZ2 3.89Å; M380-W432 HydrophobicContact SD-CZ3 4.38Å; Y397-W432 HydrophobicContact CE1-CB 3.83Å; Y397-W432 PolarHBondContact OH-N 3.19Å; L404-W432 HydrophobicContact CD2-CZ3 4.34Å; A407-W432 HydrophobicContact CB-CH2 4.2Å; A407-W432 HydrophobicContact CB-CZ3 4.27Å; V414-W432 HydrophobicContact CB-CE3 4.27Å; V414-W432 HydrophobicContact CB-CH2 4.24Å; V414-W432 HydrophobicContact CB-CZ3 4.11Å; V414-W432 HydrophobicContact CG1-CE3 4.18Å; V414-W432 HydrophobicContact CG1-CH2 3.71Å; V414-W432 HydrophobicContact CG1-CZ2 4.48Å; V414-W432 HydrophobicContact CG1-CZ3 3.56Å; V414-W432 HydrophobicContact CG2-CD2 4.28Å; V414-W432 HydrophobicContact CG2-CE3 4.37Å; V414-W432 HydrophobicContact CG2-CH2 3.88Å; V414-W432 HydrophobicContact CG2-CZ2 3.82Å; V414-W432 HydrophobicContact CG2-CZ3 4.2Å; Y425-W432 HydrophobicContact CD1-CB 4.07Å; Y425-W432 HydrophobicContact CG-CB 4.19Å; R426-W432 WeakPolarHBondContact O-CA 3.25Å
433R91.7Very high91.2Very high159 Ų15962.9 Ų62.960%0.629%0.287SS*.EExtended strand (participates in β ladder)trans-94124.4-177.5-176.1178.2176-173-0.9110.2Y425 R426 E428 K435Y425-R433 CarbonylContact C-O 3.48Å; Y425-R433 VanDerWaalsContact CA-O 3.28Å; Y425-R433 WeakPolarHBondContact CA-O 3.45Å; R426-R433 PolarHBondContact N-O 3.02Å; R426-R433 PolarHBondContact O-N 3.37Å; E428-R433 HydrophobicContact CG-CB 4.24Å; E428-R433 WeakPolarHBondContact OE1-CB 3.49Å; E428-R433 WeakPolarHBondContact OE1-CD 3.39Å; E428-R433 IonicContact OE1-NH1 2.71Å; R433-K435 PolarHBondContact O-N 2.94Å
434R91.3Very high90.5Very high155 Ų15566.8 Ų66.859%0.58531%0.311SS*.EExtended strand (participates in β ladder)trans-59.6124.5177.9-175.117664.5178.5-3.6110.7T423 Y425 E437T423-R434 HydrophobicContact CG2-CG 3.71Å; Y425-R434 HydrophobicContact CD1-CB 4.13Å; Y425-R434 HydrophobicContact CE1-CB 4.08Å; R434-E437 WeakPolarHBondContact CD-OE1 3.41Å; R434-E437 IonicContact CZ-OE1 3.67Å; R434-E437 IonicContact NE-OE1 2.83Å; R434-E437 IonicContact NH1-OE1 3.61Å; R434-E437 PolarHBondContact NH1-OE1 3.16Å
435K91.8Very high89.7Confident78 Ų7868.9 Ų68.934%0.33933%0.333SS..EExtended strand (participates in β ladder)trans-93.6-53.9178.1-169.1177.4-178.6177.80110.9D144 E424 R433D144-K435 VanDerWaalsContact CG-NZ 3.35Å; D144-K435 IonicContact OD1-NZ 2.7Å; D144-K435 PolarHBondContact OD1-NZ 3.01Å; D144-K435 IonicContact OD2-NZ 3.72Å; D144-K435 PolarHBondContact OD2-NZ 2.74Å; D144-K435 VanDerWaalsContact OD2-NZ 3.07Å; E424-K435 HydrophobicContact CG-CB 4.33Å; E424-K435 HydrophobicContact CG-CD 4.29Å; E424-K435 WeakPolarHBondContact O-CA 3.47Å; E424-K435 WeakPolarHBondContact O-CB 3.47Å; E424-K435 PolarHBondContact O-N 2.57Å; E424-K435 IonicContact OE1-NZ 3.56Å; R433-K435 PolarHBondContact O-N 2.94Å
436R92.1Very high89.3Confident83 Ų8372 Ų7231%0.31336%0.358SS..EExtended strand (participates in β ladder)trans-159.8166.2178.260179172.1169.82.3112.4E193 E424E193-R436 IonicContact OE2-CZ 3.35Å; E193-R436 IonicContact OE2-NH2 3.07Å; E193-R436 PolarHBondContact OE2-NH2 3.39Å; E424-R436 HydrophobicContact CB-CG 4.14Å; E424-R436 PolarHBondContact N-O 3.49Å; E424-R436 PolarHBondContact O-N 2.9Å; E424-R436 IonicContact OE2-CZ 2.72Å; E424-R436 IonicContact OE2-NE 3.16Å; E424-R436 PolarHBondContact OE2-NE 2.96Å; E424-R436 IonicContact OE2-NH2 2.82Å; E424-R436 PolarHBondContact OE2-NH2 2.74Å
437E93.3Very high89.1Confident79 Ų7968.3 Ų68.337%0.36935%0.346SS..EExtended strand (participates in β ladder)trans-120.2147.7174.8-73.1179.2-178.900110.4R196 V421 T422 T423 R434R196-E437 PolarHBondContact NH2-O 3.12Å; V421-E437 HydrophobicContact CG2-CB 3.64Å; V421-E437 HydrophobicContact CG2-CG 3.65Å; T422-E437 CarbonylContact O-C 3.56Å; T422-E437 WeakPolarHBondContact O-CA 3.16Å; T423-E437 HydrophobicContact CG2-CG 4.18Å; R434-E437 WeakPolarHBondContact CD-OE1 3.41Å; R434-E437 IonicContact CZ-OE1 3.67Å; R434-E437 IonicContact NE-OE1 2.83Å; R434-E437 IonicContact NH1-OE1 3.61Å; R434-E437 PolarHBondContact NH1-OE1 3.16Å
438M94.4Very high89.1Confident10 Ų1070.1 Ų70.15%0.04935%0.351CS..EExtended strand (participates in β ladder)trans-136175.8-179.7-66160.2-71.400109.2L191 E193 R196 F415 T422 E424 G440L191-M438 HydrophobicContact CD1-CB 4.49Å; L191-M438 HydrophobicContact CD2-CE 3.8Å; L191-M438 HydrophobicContact CD2-SD 3.76Å; L191-M438 HydrophobicContact CG-SD 4.46Å; E193-M438 HydrophobicContact CG-SD 4.27Å; R196-M438 HydrophobicContact CB-CB 4.24Å; R196-M438 HydrophobicContact CB-CG 4.04Å; R196-M438 HydrophobicContact CG-CG 4.11Å; F415-M438 HydrophobicContact CD1-CE 4.33Å; F415-M438 HydrophobicContact CE1-CE 4Å; T422-M438 HydrophobicContact CG2-CE 4.16Å; T422-M438 PolarHBondContact N-O 2.66Å; T422-M438 PolarHBondContact O-N 2.53Å; E424-M438 HydrophobicContact CB-CE 4.33Å; M438-G440 PolarHBondContact O-N 2.75Å
439E92.9Very high89.3Confident101 Ų10168.3 Ų68.347%0.47234%0.343SS..EExtended strand (participates in β ladder)trans-54.1134179.3-167.3178.2-160.200111R196 K197 W198 T422R196-E439 WeakPolarHBondContact O-CB 3.5Å; R196-E439 PolarHBondContact O-N 2.62Å; K197-E439 WeakPolarHBondContact CA-OE2 3.22Å; K197-E439 VanDerWaalsContact CB-OE2 3.24Å; K197-E439 WeakPolarHBondContact CB-OE2 3.49Å; K197-E439 WeakPolarHBondContact CG-OE2 3.36Å; W198-E439 PolarHBondContact NE1-O 3.45Å; T422-E439 WeakPolarHBondContact CB-O 2.71Å; T422-E439 PolarHBondContact OG1-O 3.4Å
440G90.9Very high89.8Confident8 Ų859.8 Ų59.88%0.08231%0.307CS..  trans-68.6168.5172.200000112.4R419 H420 M438 G442R419-G440 CarbonylContact O-C 3.59Å; H420-G440 PolarHBondContact O-N 3.43Å; M438-G440 PolarHBondContact O-N 2.75Å; G440-G442 PolarHBondContact O-N 3.46Å
441F89.6Confident90.3Very high14 Ų1458.5 Ų58.56%0.06130%0.296CS..  trans-69.7-20.5-176.6-161.6-142.8000113.8A170 C172 C189 W198 L417 S418 R419 R443 I447A170-F441 HydrophobicContact CB-CD2 4.33Å; A170-F441 HydrophobicContact CB-CE1 4.21Å; A170-F441 HydrophobicContact CB-CE2 3.86Å; A170-F441 HydrophobicContact CB-CZ 3.79Å; C172-F441 HydrophobicContact CB-CE1 3.94Å; C189-F441 HydrophobicContact CB-CE2 3.72Å; C189-F441 HydrophobicContact CB-CZ 4.23Å; W198-F441 HydrophobicContact CB-CD2 4.37Å; W198-F441 AromaticContact CD2-CD2 3.67Å; W198-F441 HydrophobicContact CD2-CD2 3.67Å; W198-F441 HydrophobicContact CD2-CE2 4.12Å; W198-F441 AromaticContact CE3-CD2 3.98Å; W198-F441 HydrophobicContact CE3-CD2 3.98Å; W198-F441 AromaticContact CE3-CE2 3.97Å; W198-F441 HydrophobicContact CE3-CE2 3.97Å; W198-F441 AromaticContact CG-CD2 3.83Å; W198-F441 HydrophobicContact CG-CD2 3.83Å; W198-F441 HydrophobicContact CG-CE2 4.44Å; L417-F441 HydrophobicContact CD1-CB 3.84Å; L417-F441 HydrophobicContact CD2-CB 4.07Å; L417-F441 HydrophobicContact CD2-CD1 4.45Å; L417-F441 HydrophobicContact CD2-CD2 4.45Å; L417-F441 HydrophobicContact CD2-CG 4.11Å; L417-F441 HydrophobicContact CG-CB 4.08Å; S418-F441 PolarHBondContact O-N 2.86Å; R419-F441 PolarHBondContact O-N 2.85Å; F441-R443 HydrophobicContact CD1-CB 3.72Å; F441-R443 HydrophobicContact CD1-CG 3.99Å; F441-R443 HydrophobicContact CE1-CB 4Å; F441-R443 HydrophobicContact CE1-CG 4.03Å; F441-R443 HydrophobicContact CG-CB 4.46Å; F441-R443 HydrophobicContact CG-CG 4.45Å; F441-R443 HydrophobicContact CZ-CG 4.47Å; F441-R443 PolarHBondContact O-N 2.88Å; F441-I447 HydrophobicContact CB-CD1 4.42Å; F441-I447 HydrophobicContact CD1-CD1 3.79Å; F441-I447 HydrophobicContact CD1-CG1 4.14Å; F441-I447 HydrophobicContact CD1-CG2 4.23Å; F441-I447 HydrophobicContact CE1-CG1 4.47Å; F441-I447 HydrophobicContact CE1-CG2 4.13Å
442G85.7Confident90.6Very high50 Ų5055.4 Ų55.452%0.51528%0.281SS..  trans71.7-16.8-177.700000115.3R419 G440R419-G442 WeakPolarHBondContact O-CA 3.42Å; R419-G442 PolarHBondContact O-N 2.83Å; G440-G442 PolarHBondContact O-N 3.46Å
443R83.8Confident90.7Very high38 Ų3857 Ų5714%0.14329%0.287CS..  trans-88.2160.7-178.8-55.1-173.9-173.1-175.7-4.3112.7V184 Q185 T187 C189 R419 F441V184-R443 PolarHBondContact O-NH1 3.41Å; V184-R443 PolarHBondContact O-NH2 2.67Å; V184-R443 VanDerWaalsContact O-NH2 3.14Å; Q185-R443 PolarHBondContact O-NH1 2.88Å; T187-R443 VanDerWaalsContact OG1-CZ 3.31Å; T187-R443 PolarHBondContact OG1-NH1 3.44Å; T187-R443 PolarHBondContact OG1-NH2 3.1Å; C189-R443 PolarHBondContact SG-NH2 2.91Å; R419-R443 WeakPolarHBondContact CG-O 3.49Å; F441-R443 HydrophobicContact CD1-CB 3.72Å; F441-R443 HydrophobicContact CD1-CG 3.99Å; F441-R443 HydrophobicContact CE1-CB 4Å; F441-R443 HydrophobicContact CE1-CG 4.03Å; F441-R443 HydrophobicContact CG-CB 4.46Å; F441-R443 HydrophobicContact CG-CG 4.45Å; F441-R443 HydrophobicContact CZ-CG 4.47Å; F441-R443 PolarHBondContact O-N 2.88Å
444V78Confident90.8Very high87 Ų8750.4 Ų50.453%0.52726%0.264SS..  trans-116.7141.2178.5-175.70000108.6C172C172-V444 PolarHBondContact SG-O 3.28Å
445G79.3Confident90.7Very high47 Ų4745.8 Ų45.849%0.48525%0.254SS..SBendtrans127.3-176.4179.500000111.4
446S85.1Confident90.2Very high82 Ų8247.1 Ų47.157%0.57326%0.26SS*.  trans-69.1137.6169.9-59.70000109.1S173S173-S446 PolarHBondContact N-O 2.79Å; S173-S446 PolarHBondContact OG-N 3.41Å; S173-S446 PolarHBondContact OG-O 3.15Å
447I89.8Confident88.8Confident29 Ų2951.2 Ų51.215%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-119.3126.6-179.4-52.6166.5000107.8A170 T406 L417 F441 T449A170-I447 HydrophobicContact CB-CG2 3.95Å; T406-I447 HydrophobicContact CG2-CB 4.47Å; L417-I447 HydrophobicContact CD2-CD1 4.41Å; L417-I447 HydrophobicContact CD2-CG2 3.85Å; L417-I447 HydrophobicContact CG-CD1 4.41Å; F441-I447 HydrophobicContact CB-CD1 4.42Å; F441-I447 HydrophobicContact CD1-CD1 3.79Å; F441-I447 HydrophobicContact CD1-CG1 4.14Å; F441-I447 HydrophobicContact CD1-CG2 4.23Å; F441-I447 HydrophobicContact CE1-CG1 4.47Å; F441-I447 HydrophobicContact CE1-CG2 4.13Å; I447-T449 HydrophobicContact CG2-CG2 3.92Å
448Y93.5Very high86.1Confident57 Ų5757.6 Ų57.622%0.22433%0.327CS..EExtended strand (participates in β ladder)trans-90.9126.9168.4-60.7-91.6000107.8A170 V171 T210 A213 V215A170-Y448 CarbonylContact C-O 3.53Å; A170-Y448 VanDerWaalsContact CA-O 3.28Å; A170-Y448 WeakPolarHBondContact CA-O 3.45Å; V171-Y448 PolarHBondContact N-O 2.97Å; V171-Y448 PolarHBondContact O-N 3.03Å; T210-Y448 VanDerWaalsContact O-CE2 3.27Å; T210-Y448 WeakPolarHBondContact O-CE2 3.19Å; A213-Y448 PolarHBondContact N-OH 2.92Å; A213-Y448 WeakPolarHBondContact O-CE1 2.82Å; A213-Y448 PolarHBondContact O-OH 3.16Å; V215-Y448 HydrophobicContact CB-CD1 3.71Å; V215-Y448 HydrophobicContact CB-CE1 4.24Å; V215-Y448 HydrophobicContact CB-CG 3.98Å; V215-Y448 HydrophobicContact CG2-CD1 3.63Å; V215-Y448 HydrophobicContact CG2-CD2 4Å; V215-Y448 HydrophobicContact CG2-CE1 3.86Å; V215-Y448 HydrophobicContact CG2-CE2 4.25Å; V215-Y448 HydrophobicContact CG2-CG 3.67Å
449T96Very high85.7Confident18 Ų1860 Ų6011%0.1134%0.34CS..EExtended strand (participates in β ladder)trans-123.2140.718050.60000110.2Y168 M169 A170 T406 V408 L417 I447Y168-T449 HydrophobicContact CE2-CG2 4.29Å; Y168-T449 WeakPolarHBondContact OH-CG2 3.15Å; M169-T449 VanDerWaalsContact O-CA 3.28Å; M169-T449 WeakPolarHBondContact O-CA 2.98Å; A170-T449 HydrophobicContact CB-CG2 4.32Å; T406-T449 VanDerWaalsContact CA-OG1 3.31Å; T406-T449 WeakPolarHBondContact CA-OG1 3.26Å; T406-T449 WeakPolarHBondContact CB-OG1 3.32Å; T406-T449 HydrophobicContact CG2-CG2 4.25Å; T406-T449 PolarHBondContact O-OG1 3.32Å; V408-T449 WeakPolarHBondContact CG2-O 3.41Å; L417-T449 HydrophobicContact CB-CG2 4.11Å; L417-T449 HydrophobicContact CD2-CG2 3.77Å; I447-T449 HydrophobicContact CG2-CG2 3.92Å
450F97.2Very high85.3Confident17 Ų1757.8 Ų57.88%0.07533%0.333CS..EExtended strand (participates in β ladder)trans-159.5-178.4-175.248.5-92.1000110M169 V171 V188 V215 V217 L222 M452M169-F450 HydrophobicContact CB-CD2 3.43Å; M169-F450 VanDerWaalsContact CB-CD2 3.43Å; M169-F450 HydrophobicContact CB-CE2 3.25Å; M169-F450 HydrophobicContact CB-CG 4.16Å; M169-F450 HydrophobicContact CB-CZ 3.84Å; M169-F450 WeakPolarHBondContact CB-O 3.22Å; M169-F450 HydrophobicContact CE-CE2 4.3Å; M169-F450 HydrophobicContact CG-CD2 3.91Å; M169-F450 HydrophobicContact CG-CE2 3.8Å; M169-F450 PolarHBondContact N-O 3Å; M169-F450 PolarHBondContact O-N 3.45Å; M169-F450 VanDerWaalsContact O-N 3.16Å; V171-F450 HydrophobicContact CB-CE1 4.33Å; V171-F450 HydrophobicContact CG2-CE1 3.73Å; V171-F450 HydrophobicContact CG2-CZ 3.71Å; V188-F450 HydrophobicContact CG1-CZ 4.21Å; V215-F450 HydrophobicContact CG1-CD1 4.17Å; V215-F450 HydrophobicContact CG1-CE1 3.99Å; V217-F450 HydrophobicContact CG2-CB 3.86Å; V217-F450 HydrophobicContact CG2-CD2 3.43Å; V217-F450 VanDerWaalsContact CG2-CD2 3.43Å; V217-F450 HydrophobicContact CG2-CE2 4.19Å; V217-F450 HydrophobicContact CG2-CG 3.8Å; L222-F450 HydrophobicContact CD1-CD1 4.44Å; L222-F450 HydrophobicContact CD1-CD2 4.44Å; L222-F450 HydrophobicContact CD1-CE1 3.87Å; L222-F450 HydrophobicContact CD1-CE2 3.86Å; L222-F450 HydrophobicContact CD1-CZ 3.55Å; L222-F450 HydrophobicContact CD2-CE2 4.27Å; L222-F450 HydrophobicContact CD2-CZ 3.81Å; L222-F450 HydrophobicContact CG-CZ 4.28Å; F450-M452 HydrophobicContact CD2-CG 3.95Å; F450-M452 HydrophobicContact CD2-SD 4.13Å; F450-M452 HydrophobicContact CE2-CG 4.04Å; F450-M452 HydrophobicContact CE2-SD 3.62Å
451Q96.6Very high85Confident42 Ų4260.6 Ų60.620%0.19635%0.347CS..EExtended strand (participates in β ladder)trans-118.8142.2174.7-80.917119.300111.3S167 V408 V409 R410S167-Q451 WeakPolarHBondContact O-CA 3.49Å; V408-Q451 HydrophobicContact CG1-CG 3.83Å; V409-Q451 PolarHBondContact O-NE2 3.05Å; V409-Q451 PolarHBondContact O-OE1 3.46Å; R410-Q451 VanDerWaalsContact CA-NE2 3.32Å
452M96.8Very high84.7Confident2 Ų263.3 Ų63.31%0.0136%0.364CS..EExtended strand (participates in β ladder)trans-144.5147.9169.1-65.5178.372.500108.8S167 M169 V217 N220 L222 Y242 P244 F450S167-M452 PolarHBondContact N-O 3.36Å; S167-M452 PolarHBondContact O-N 3.29Å; M169-M452 HydrophobicContact CE-CB 4.26Å; M169-M452 HydrophobicContact CE-CG 4.44Å; M169-M452 HydrophobicContact CE-SD 3.86Å; M169-M452 HydrophobicContact CG-CB 4.02Å; M169-M452 HydrophobicContact CG-CG 4.2Å; M169-M452 HydrophobicContact SD-CB 4.41Å; V217-M452 HydrophobicContact CG1-CG 4.18Å; V217-M452 HydrophobicContact CG2-CG 3.89Å; V217-M452 HydrophobicContact CG2-SD 4.39Å; N220-M452 VanDerWaalsContact O-CE 3.27Å; N220-M452 WeakPolarHBondContact O-CE 3.28Å; L222-M452 HydrophobicContact CB-CE 4.03Å; L222-M452 HydrophobicContact CB-SD 3.78Å; Y242-M452 HydrophobicContact CD1-CE 4.16Å; Y242-M452 HydrophobicContact CE1-CE 4.47Å; P244-M452 HydrophobicContact CB-CE 3.97Å; P244-M452 HydrophobicContact CG-CE 3.64Å; F450-M452 HydrophobicContact CD2-CG 3.95Å; F450-M452 HydrophobicContact CD2-SD 4.13Å; F450-M452 HydrophobicContact CE2-CG 4.04Å; F450-M452 HydrophobicContact CE2-SD 3.62Å
453R95.6Very high84.6Confident41 Ų4164.1 Ų64.116%0.15536%0.355CS..EExtended strand (participates in β ladder)trans-90.9120.2168.6-65.3-175.8-173.4-69.4-10.2108.6L136 D140 S164 P165 S166 N220L136-R453 PolarHBondContact O-NH2 3.31Å; D140-R453 IonicContact OD1-CZ 2.72Å; D140-R453 IonicContact OD1-NH1 3.76Å; D140-R453 PolarHBondContact OD1-NH1 2.86Å; D140-R453 IonicContact OD1-NH2 3.47Å; D140-R453 PolarHBondContact OD1-NH2 3.28Å; D140-R453 VanDerWaalsContact OD1-NH2 3.16Å; D140-R453 IonicContact OD2-CZ 3.75Å; D140-R453 IonicContact OD2-NH1 3.27Å; D140-R453 IonicContact OD2-NH2 2.7Å; D140-R453 PolarHBondContact OD2-NH2 3.31Å; S164-R453 WeakPolarHBondContact O-CD 3.24Å; S164-R453 PolarHBondContact O-NH1 3.3Å; P165-R453 VanDerWaalsContact C-NH1 3.26Å; P165-R453 VanDerWaalsContact CA-NH1 3.34Å; S166-R453 PolarHBondContact OG-NH1 3.07Å; S166-R453 PolarHBondContact OG-NH2 2.88Å; N220-R453 PolarHBondContact ND2-O 2.8Å; N220-R453 PolarHBondContact OD1-N 3.2Å; N220-R453 PolarHBondContact OD1-O 3.29Å
454L93.9Very high84.7Confident20 Ų2065.9 Ų65.911%0.10537%0.369CS..PPolyproline II helixtrans-88.3145.5176.9-55.9-179.7000110S164 M169 Y190 L201 P244S164-L454 WeakPolarHBondContact CB-O 3.25Å; S164-L454 PolarHBondContact OG-O 3.03Å; M169-L454 HydrophobicContact CE-CD2 4.18Å; M169-L454 HydrophobicContact SD-CD2 4.48Å; Y190-L454 HydrophobicContact CD1-CD1 3.99Å; Y190-L454 HydrophobicContact CD2-CD1 4.13Å; Y190-L454 HydrophobicContact CE1-CD1 4.37Å; Y190-L454 HydrophobicContact CG-CD1 3.84Å; L201-L454 HydrophobicContact CD1-CD1 4.15Å; L201-L454 HydrophobicContact CD1-CD2 4.04Å; L201-L454 HydrophobicContact CD2-CD2 3.58Å; L201-L454 HydrophobicContact CG-CD2 4.5Å; P244-L454 HydrophobicContact CB-CD2 4.2Å
455P89.1Confident85.2Confident58 Ų5864.4 Ų64.438%0.37736%0.358SS..PPolyproline II helixtrans-57.3146.8170.4-21.633000110.4P244 H457P244-P455 WeakPolarHBondContact O-CD 3.28Å; P244-P455 WeakPolarHBondContact O-CG 3.36Å; P455-H457 PolarHBondContact O-N 3.13Å
456K80.6Confident85.6Confident106 Ų10665.7 Ų65.746%0.46135%0.348SS..PPolyproline II helixtrans-65.8124.8167.5-68.7179.9174.4175.60107.3E161 S162 T458E161-K456 PolarHBondContact O-NZ 2.86Å; S162-K456 VanDerWaalsContact O-CE 3.24Å; S162-K456 WeakPolarHBondContact O-CE 3.1Å; S162-K456 PolarHBondContact O-NZ 2.98Å; K456-T458 PolarHBondContact O-N 3Å
457H62.6Low85.7Confident170 Ų17064.3 Ų64.379%0.78733%0.329SS*.  trans-61.3111.7168.6-67.3-67.2000107.4P455P455-H457 PolarHBondContact O-N 3.13Å
458T36.3Very low85.3Confident212 Ų21267.5 Ų67.5100%1.30135%0.345SS*.  trans-72.20173.437.50000112K456K456-T458 PolarHBondContact O-N 3Å

Retrieved 458 of 458 residues in 151.8 ms (Link to these results)

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