A0A061IIK8_CRIGR Loading...

Calicin

Required for both nuclear and acrosomal shaping during spermiogenesis.

AlphaFold DB , UniProt , Accession A0A061IIK8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ccin, Length 588 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
1M61.5Low83Confident243 Ų243159.7 Ų159.7100%1.19777%0.767SS**  0126.70-163.2174.8-167.800107.3
2K60.3Low83.4Confident213 Ų213151.2 Ų151.293%0.92674%0.736SS**  trans-113.1133.3174.5-72.3-174.8178.7-178.40107.9
3L79.4Confident83.9Confident159 Ų159148.4 Ų148.483%0.83272%0.718SS**  trans-119.8123.3174.3-172121.2000108
4E86.1Confident84.5Confident182 Ų182141.4 Ų141.485%0.8569%0.689SS**  trans-97.2125.8174.4-173.7174.8-173.200108.5
5F90.9Very high84.9Confident164 Ų164136.8 Ų136.872%0.71967%0.668SS**  trans-116129.3178.2170.3-99.2000109.7E7F5-E7 HydrophobicContact CE1-CB 3.87Å; F5-E7 HydrophobicContact CZ-CB 4.16Å
6T88.8Confident85.4Confident110 Ų110134.8 Ų134.868%0.67566%0.657SS**  trans-121.3112.7178.1-49.90000109.3K8T6-K8 PolarHBondContact O-N 3.26Å
7E90.5Very high85.8Confident109 Ų109129.5 Ų129.551%0.50963%0.633SS.*  trans-73122.9175.5-172.4174-176.200110.7F5 Y10F5-E7 HydrophobicContact CE1-CB 3.87Å; F5-E7 HydrophobicContact CZ-CB 4.16Å; E7-Y10 WeakPolarHBondContact OE2-CD2 3.35Å
8K89.1Confident86.2Confident190 Ų190124.2 Ų124.283%0.82661%0.607SS**THydrogen-bonded Turntrans-67.8134.8178.6-67.3-176.9-179.4178.40109.9T6 Y10T6-K8 PolarHBondContact O-N 3.26Å; K8-Y10 VanDerWaalsContact C-N 3.26Å; K8-Y10 PolarHBondContact O-N 3.01Å
9N88.1Confident86.6Confident135 Ų135118.8 Ų118.872%0.72258%0.581SS**THydrogen-bonded Turntrans66.612177.7-54.6-37.4000116.6N11 S12 F13N9-N11 VanDerWaalsContact C-N 3.26Å; N9-N11 PolarHBondContact O-N 3.32Å; N9-S12 PolarHBondContact O-N 3.29Å; N9-F13 PolarHBondContact O-N 2.9Å; N9-F13 VanDerWaalsContact O-N 3.09Å
10Y90.6Very high87Confident121 Ų121118.6 Ų118.648%0.47558%0.577SS.*Hα-helixtrans-50.9-43.2178.3-175.7-104.4000113E7 K8 S12 F13 V14E7-Y10 WeakPolarHBondContact OE2-CD2 3.35Å; K8-Y10 VanDerWaalsContact C-N 3.26Å; K8-Y10 PolarHBondContact O-N 3.01Å; Y10-S12 VanDerWaalsContact C-N 3.31Å; Y10-S12 PolarHBondContact O-N 3.28Å; Y10-F13 WeakPolarHBondContact O-CB 3.07Å; Y10-F13 PolarHBondContact O-N 2.99Å; Y10-F13 VanDerWaalsContact O-N 3.15Å; Y10-V14 HydrophobicContact CD1-CG2 4.11Å; Y10-V14 HydrophobicContact CE1-CG2 3.72Å; Y10-V14 HydrophobicContact CE2-CG2 4.26Å; Y10-V14 WeakPolarHBondContact O-CG2 3.34Å; Y10-V14 PolarHBondContact O-N 3.44Å
11N87.4Confident87.3Confident131 Ų131115.5 Ų115.570%0.70156%0.562SS**Hα-helixtrans-58.6-39.5177.9-60.6-15.8000113.1N9 L15N9-N11 VanDerWaalsContact C-N 3.26Å; N9-N11 PolarHBondContact O-N 3.32Å; N11-L15 PolarHBondContact O-N 3.15Å
12S87.7Confident88.9Confident57 Ų57104.8 Ų104.840%0.39951%0.508SS..Hα-helixtrans-71.7-39.5178.3-170.20000111N9 Y10 L15 Q16N9-S12 PolarHBondContact O-N 3.29Å; Y10-S12 VanDerWaalsContact C-N 3.31Å; Y10-S12 PolarHBondContact O-N 3.28Å; S12-L15 PolarHBondContact O-N 2.96Å; S12-Q16 WeakPolarHBondContact O-CB 3.42Å; S12-Q16 WeakPolarHBondContact O-CG 3.42Å; S12-Q16 PolarHBondContact O-N 3.49Å; S12-Q16 PolarHBondContact OG-NE2 3.13Å
13F90.4Very high90.4Very high115 Ų115100.3 Ų100.350%0.50449%0.489SS..Hα-helixtrans-59.3-46.5175.1170.8-100.7000111.9N9 Y10 Q16 N17N9-F13 PolarHBondContact O-N 2.9Å; N9-F13 VanDerWaalsContact O-N 3.09Å; Y10-F13 WeakPolarHBondContact O-CB 3.07Å; Y10-F13 PolarHBondContact O-N 2.99Å; Y10-F13 VanDerWaalsContact O-N 3.15Å; F13-Q16 PolarHBondContact O-N 3.14Å; F13-N17 VanDerWaalsContact CE1-ND2 3.34Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.46Å; F13-N17 WeakPolarHBondContact CE2-ND2 3.19Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.3Å; F13-N17 PolarHBondContact O-N 3.4Å; F13-N17 VanDerWaalsContact O-N 3.08Å; F13-N17 PolarHBondContact O-ND2 2.95Å; F13-N17 VanDerWaalsContact O-ND2 3.14Å
14V92.1Very high91.1Very high51 Ų51101 Ų10131%0.30948%0.48SS..Hα-helixtrans-59.7-52.8178.1173.90000111.1Y10 Q16 N17 L18Y10-V14 HydrophobicContact CD1-CG2 4.11Å; Y10-V14 HydrophobicContact CE1-CG2 3.72Å; Y10-V14 HydrophobicContact CE2-CG2 4.26Å; Y10-V14 WeakPolarHBondContact O-CG2 3.34Å; Y10-V14 PolarHBondContact O-N 3.44Å; V14-Q16 VanDerWaalsContact C-N 3.31Å; V14-Q16 PolarHBondContact O-N 3.08Å; V14-N17 PolarHBondContact O-N 3.35Å; V14-N17 VanDerWaalsContact O-N 3.13Å; V14-L18 HydrophobicContact CG1-CD1 4.07Å; V14-L18 HydrophobicContact CG1-CG 4.44Å; V14-L18 WeakPolarHBondContact O-CG 3.44Å; V14-L18 PolarHBondContact O-N 3.41Å
15L91.1Very high91.4Very high72 Ų7298.6 Ų98.638%0.37747%0.467SS..Hα-helixtrans-62.9-35.5-179.2-78.6170.5000113N11 S12 L18 N19N11-L15 PolarHBondContact O-N 3.15Å; S12-L15 PolarHBondContact O-N 2.96Å; L15-L18 HydrophobicContact CD2-CD1 4.29Å; L15-L18 PolarHBondContact O-N 3.09Å; L15-N19 PolarHBondContact O-N 2.94Å
16Q91.9Very high91.5Very high104 Ų10494 Ų9449%0.48645%0.448SS..Hα-helixtrans-63.9-40.9174-76.4175.918.900112.3S12 F13 V14 N19 K20S12-Q16 WeakPolarHBondContact O-CB 3.42Å; S12-Q16 WeakPolarHBondContact O-CG 3.42Å; S12-Q16 PolarHBondContact O-N 3.49Å; S12-Q16 PolarHBondContact OG-NE2 3.13Å; F13-Q16 PolarHBondContact O-N 3.14Å; V14-Q16 VanDerWaalsContact C-N 3.31Å; V14-Q16 PolarHBondContact O-N 3.08Å; Q16-N19 PolarHBondContact O-N 3.41Å; Q16-K20 WeakPolarHBondContact O-CG 3.25Å; Q16-K20 PolarHBondContact O-N 3.29Å; Q16-K20 VanDerWaalsContact O-N 3.08Å
17N92.9Very high91.5Very high46 Ų4697.4 Ų97.425%0.24645%0.449CS..Hα-helixtrans-70.1-38.9176.7-71.4-41.6000111.9F13 V14 N19 K20 Q21F13-N17 VanDerWaalsContact CE1-ND2 3.34Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.46Å; F13-N17 WeakPolarHBondContact CE2-ND2 3.19Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.3Å; F13-N17 PolarHBondContact O-N 3.4Å; F13-N17 VanDerWaalsContact O-N 3.08Å; F13-N17 PolarHBondContact O-ND2 2.95Å; F13-N17 VanDerWaalsContact O-ND2 3.14Å; V14-N17 PolarHBondContact O-N 3.35Å; V14-N17 VanDerWaalsContact O-N 3.13Å; N17-N19 VanDerWaalsContact C-N 3.25Å; N17-N19 PolarHBondContact O-N 2.68Å; N17-K20 WeakPolarHBondContact O-CB 3.21Å; N17-K20 PolarHBondContact O-N 2.86Å; N17-K20 VanDerWaalsContact O-N 3.09Å; N17-Q21 WeakPolarHBondContact O-CG 3.33Å; N17-Q21 PolarHBondContact O-N 3.4Å
18L93.8Very high91.4Very high34 Ų3495.6 Ų95.618%0.17844%0.438CS..Hα-helixtrans-59.2-37171-68.3173.8000111.4V14 L15 Q21 R22 H42 V45 Y90V14-L18 HydrophobicContact CG1-CD1 4.07Å; V14-L18 HydrophobicContact CG1-CG 4.44Å; V14-L18 WeakPolarHBondContact O-CG 3.44Å; V14-L18 PolarHBondContact O-N 3.41Å; L15-L18 HydrophobicContact CD2-CD1 4.29Å; L15-L18 PolarHBondContact O-N 3.09Å; L18-Q21 PolarHBondContact O-N 3.15Å; L18-R22 WeakPolarHBondContact O-CB 3.43Å; L18-R22 PolarHBondContact O-N 3.38Å; L18-H42 PolarHBondContact O-CE1 3.48Å; L18-H42 VanDerWaalsContact O-CE1 3.29Å; L18-V45 HydrophobicContact CD1-CG2 3.94Å; L18-Y90 HydrophobicContact CB-CD1 4.15Å; L18-Y90 HydrophobicContact CB-CE1 4.08Å
19N93.3Very high91.4Very high21 Ų2189.4 Ų89.411%0.11241%0.414CS..Hα-helixtrans-68.2-36.7175-158.118.6000112.4L15 Q16 N17 R22 K23 D87 Y90L15-N19 PolarHBondContact O-N 2.94Å; Q16-N19 PolarHBondContact O-N 3.41Å; N17-N19 VanDerWaalsContact C-N 3.25Å; N17-N19 PolarHBondContact O-N 2.68Å; N19-R22 WeakPolarHBondContact O-CB 3.17Å; N19-R22 PolarHBondContact O-N 3.19Å; N19-R22 PolarHBondContact OD1-NE 3.31Å; N19-R22 PolarHBondContact OD1-NH2 3.23Å; N19-K23 WeakPolarHBondContact O-CG 3.36Å; N19-K23 PolarHBondContact O-N 3.08Å; N19-D87 PolarHBondContact ND2-OD1 3.35Å; N19-Y90 HydrophobicContact CB-CD1 3.98Å; N19-Y90 HydrophobicContact CB-CG 4.22Å
20K93.9Very high91.5Very high114 Ų11483 Ų8350%0.49638%0.379SS..Hα-helixtrans-63.6-43.7174.2-70174.1-174.1168.20111.2Q16 N17 R22 K23 R24Q16-K20 WeakPolarHBondContact O-CG 3.25Å; Q16-K20 PolarHBondContact O-N 3.29Å; Q16-K20 VanDerWaalsContact O-N 3.08Å; N17-K20 WeakPolarHBondContact O-CB 3.21Å; N17-K20 PolarHBondContact O-N 2.86Å; N17-K20 VanDerWaalsContact O-N 3.09Å; K20-R22 VanDerWaalsContact C-N 3.35Å; K20-K23 PolarHBondContact O-N 3.06Å; K20-R24 WeakPolarHBondContact O-CG 3.41Å; K20-R24 PolarHBondContact O-N 2.94Å
21Q94.1Very high91.5Very high55 Ų5577.2 Ų77.226%0.25736%0.357SS..Hα-helixtrans-60.2-45175.4-71.7171.6-13.600111.1N17 L18 K23 R24 K25 E26 Y27N17-Q21 WeakPolarHBondContact O-CG 3.33Å; N17-Q21 PolarHBondContact O-N 3.4Å; L18-Q21 PolarHBondContact O-N 3.15Å; Q21-K23 PolarHBondContact O-N 3.01Å; Q21-R24 CarbonylContact O-C 3.55Å; Q21-R24 PolarHBondContact O-N 3.29Å; Q21-R24 VanDerWaalsContact O-N 3.1Å; Q21-K25 PolarHBondContact O-N 2.95Å; Q21-E26 HydrophobicContact CB-CB 4.23Å; Q21-E26 PolarHBondContact O-N 3.1Å; Q21-Y27 HydrophobicContact CG-CD2 4.49Å
22R94.3Very high91.7Very high17 Ų1771 Ų716%0.06432%0.323CS..Hα-helixtrans-54.2-50.9174.1-174.7-17173.687.8-9.5111.6L18 N19 K20 R24 K25 F40 D83 D87 Y90L18-R22 WeakPolarHBondContact O-CB 3.43Å; L18-R22 PolarHBondContact O-N 3.38Å; N19-R22 WeakPolarHBondContact O-CB 3.17Å; N19-R22 PolarHBondContact O-N 3.19Å; N19-R22 PolarHBondContact OD1-NE 3.31Å; N19-R22 PolarHBondContact OD1-NH2 3.23Å; K20-R22 VanDerWaalsContact C-N 3.35Å; R22-R24 VanDerWaalsContact C-N 3.25Å; R22-R24 PolarHBondContact O-N 3.05Å; R22-K25 PolarHBondContact O-N 3.33Å; R22-F40 WeakPolarHBondContact CG-O 3.5Å; R22-D83 IonicContact NH1-OD1 3.78Å; R22-D83 IonicContact NH2-OD1 3.29Å; R22-D87 IonicContact CZ-OD1 3.89Å; R22-D87 IonicContact NH2-OD1 3.46Å; R22-D87 PolarHBondContact NH2-OD1 3.32Å; R22-Y90 HydrophobicContact CB-CE1 4.22Å
23K92.5Very high92Very high120 Ų12069.9 Ų69.952%0.52231%0.314SS..Hα-helixtrans-66.1-26.2-179.6-69.5-174-179-164.10113N19 K20 Q21 D87N19-K23 WeakPolarHBondContact O-CG 3.36Å; N19-K23 PolarHBondContact O-N 3.08Å; K20-K23 PolarHBondContact O-N 3.06Å; Q21-K23 PolarHBondContact O-N 3.01Å; K23-D87 WeakPolarHBondContact CE-OD1 3.44Å; K23-D87 IonicContact NZ-OD1 4Å; K23-D87 PolarHBondContact NZ-OD1 3.23Å; K23-D87 IonicContact NZ-OD2 3.87Å; K23-D87 PolarHBondContact NZ-OD2 3.17Å
24R94.4Very high92Very high174 Ų17464.5 Ų64.566%0.65729%0.291SS*.Hα-helixtrans-86.8-5.7173.3-68.5178-177.4-174.8-1.8114.1K20 Q21 R22 E26K20-R24 WeakPolarHBondContact O-CG 3.41Å; K20-R24 PolarHBondContact O-N 2.94Å; Q21-R24 CarbonylContact O-C 3.55Å; Q21-R24 PolarHBondContact O-N 3.29Å; Q21-R24 VanDerWaalsContact O-N 3.1Å; R22-R24 VanDerWaalsContact C-N 3.25Å; R22-R24 PolarHBondContact O-N 3.05Å; R24-E26 VanDerWaalsContact C-N 3.3Å; R24-E26 HydrophobicContact CB-CG 3.92Å; R24-E26 VanDerWaalsContact CD-OE1 3.3Å; R24-E26 WeakPolarHBondContact CD-OE1 3.48Å
25K92.6Very high91.5Very high130 Ų13066.4 Ų66.457%0.56530%0.299SS*.THydrogen-bonded Turntrans6136.8-174.8-49.4176.8-179.6179.50112.8Q21 R22 F40Q21-K25 PolarHBondContact O-N 2.95Å; R22-K25 PolarHBondContact O-N 3.33Å; K25-F40 HydrophobicContact CB-CD2 4.48Å; K25-F40 HydrophobicContact CD-CD2 3.71Å; K25-F40 HydrophobicContact CD-CE2 3.75Å; K25-F40 HydrophobicContact CG-CD2 3.79Å; K25-F40 HydrophobicContact CG-CE2 4.35Å; K25-F40 HydrophobicContact CG-CG 4.35Å
26E91.3Very high91.3Very high69 Ų6971.8 Ų71.832%0.32232%0.322SS..  trans-93139.7175.2-66.2170.2-170.600109.9Q21 R24 W28 H42Q21-E26 HydrophobicContact CB-CB 4.23Å; Q21-E26 PolarHBondContact O-N 3.1Å; R24-E26 VanDerWaalsContact C-N 3.3Å; R24-E26 HydrophobicContact CB-CG 3.92Å; R24-E26 VanDerWaalsContact CD-OE1 3.3Å; R24-E26 WeakPolarHBondContact CD-OE1 3.48Å; E26-W28 PolarHBondContact O-N 3.39Å; E26-H42 PolarHBondContact O-NE2 2.93Å
27Y88.9Confident91.3Very high181 Ų18171.8 Ų71.871%0.7132%0.322SS*.SBendtrans54.225.3171.7-44.6-68.3000116.5Q21 H42Q21-Y27 HydrophobicContact CG-CD2 4.49Å; Y27-H42 PolarHBondContact O-CD2 2.74Å; Y27-H42 VanDerWaalsContact O-CD2 3.28Å
28W90.1Very high91.3Very high71 Ų7173 Ų7327%0.26933%0.331SS..  trans-71.7143.4176.467.6-86000110.8E26 A31 F40 E67 F69E26-W28 PolarHBondContact O-N 3.39Å; W28-A31 HydrophobicContact CZ3-CB 4.35Å; W28-F40 HydrophobicContact CB-CB 4.05Å; W28-F40 AromaticContact CD2-CD1 3.44Å; W28-F40 HydrophobicContact CD2-CD1 3.44Å; W28-F40 VanDerWaalsContact CD2-CD1 3.44Å; W28-F40 HydrophobicContact CD2-CE1 4.06Å; W28-F40 HydrophobicContact CD2-CG 4.38Å; W28-F40 AromaticContact CE2-CD1 3.62Å; W28-F40 AromaticContact CE2-CE1 3.79Å; W28-F40 AromaticContact CE3-CD1 3.75Å; W28-F40 HydrophobicContact CE3-CD1 3.75Å; W28-F40 HydrophobicContact CE3-CE1 4.3Å; W28-F40 HydrophobicContact CG-CB 4.1Å; W28-F40 AromaticContact CG-CD1 3.8Å; W28-F40 HydrophobicContact CG-CD1 3.8Å; W28-F40 HydrophobicContact CG-CG 4.29Å; W28-F40 HydrophobicContact CH2-CD1 4.34Å; W28-F40 HydrophobicContact CH2-CE1 4.08Å; W28-F40 HydrophobicContact CZ2-CD1 4.09Å; W28-F40 AromaticContact CZ2-CE1 3.81Å; W28-F40 HydrophobicContact CZ2-CE1 3.81Å; W28-F40 HydrophobicContact CZ3-CD1 4.18Å; W28-F40 HydrophobicContact CZ3-CE1 4.31Å; W28-E67 HydrophobicContact CH2-CG 4.31Å; W28-E67 WeakPolarHBondContact CH2-OE1 3.5Å; W28-E67 VanDerWaalsContact CH2-OE2 3.23Å; W28-E67 WeakPolarHBondContact CH2-OE2 3.36Å; W28-E67 HydrophobicContact CZ3-CB 4.34Å; W28-E67 HydrophobicContact CZ3-CG 4.03Å; W28-F69 HydrophobicContact CH2-CZ 4.46Å; W28-F69 HydrophobicContact CZ3-CZ 4.42Å
29D89Confident91.3Very high59 Ų5972.8 Ų72.832%0.31633%0.328SS..  trans-1358.8179.357.7-9000110.9A41 H42 R43 L68D29-A41 PolarHBondContact N-O 2.85Å; D29-H42 WeakPolarHBondContact OD1-CA 3.2Å; D29-R43 VanDerWaalsContact CG-CB 3.48Å; D29-R43 WeakPolarHBondContact OD1-CB 3.23Å; D29-R43 PolarHBondContact OD1-N 2.98Å; D29-R43 VanDerWaalsContact OD2-CB 3.25Å; D29-R43 WeakPolarHBondContact OD2-CB 3.42Å; D29-L68 PolarHBondContact O-N 3.09Å
30M89.9Confident91.3Very high0 Ų073.8 Ų73.80%033%0.332CS..EExtended strand (participates in β ladder)trans-146.6144.1175.6-179.7-176.2-74.800110.9A41 R43 L46 V53 I57 L68 I70M30-A41 PolarHBondContact N-O 3.3Å; M30-A41 VanDerWaalsContact N-O 3.15Å; M30-A41 PolarHBondContact O-N 3.36Å; M30-R43 HydrophobicContact CB-CB 4.41Å; M30-R43 HydrophobicContact CE-CB 4.13Å; M30-R43 HydrophobicContact CE-CG 3.9Å; M30-L46 HydrophobicContact SD-CB 4.21Å; M30-L46 HydrophobicContact SD-CD2 3.6Å; M30-L46 VanDerWaalsContact SD-CD2 3.6Å; M30-L46 HydrophobicContact SD-CG 4.44Å; M30-V53 HydrophobicContact CE-CG1 3.39Å; M30-V53 HydrophobicContact SD-CG1 4.31Å; M30-I57 HydrophobicContact CE-CD1 4.22Å; M30-L68 CarbonylContact C-O 3.5Å; M30-L68 VanDerWaalsContact CA-O 3.29Å; M30-L68 WeakPolarHBondContact CA-O 3.48Å; M30-L68 HydrophobicContact CE-CB 4.47Å; M30-L68 HydrophobicContact CE-CD2 3.44Å; M30-L68 VanDerWaalsContact CE-CD2 3.44Å; M30-L68 HydrophobicContact CE-CG 4.44Å; M30-L68 HydrophobicContact CG-CB 4.37Å; M30-I70 HydrophobicContact CE-CD1 4.4Å; M30-I70 HydrophobicContact SD-CD1 4.21Å
31A90.9Very high91.3Very high0 Ų068.4 Ų68.40%031%0.309CS..EExtended strand (participates in β ladder)trans-135.3136171.900000112W28 V38 F39 F40 L68 F69 I70W28-A31 HydrophobicContact CZ3-CB 4.35Å; A31-V38 HydrophobicContact CB-CG1 4.01Å; A31-F39 CarbonylContact C-O 3.46Å; A31-F39 WeakPolarHBondContact CA-O 3.33Å; A31-F40 HydrophobicContact CB-CD1 4.31Å; A31-L68 PolarHBondContact N-O 3.22Å; A31-F69 HydrophobicContact CB-CD1 3.8Å; A31-F69 HydrophobicContact CB-CE1 3.77Å; A31-F69 WeakPolarHBondContact O-CA 3.35Å; A31-I70 PolarHBondContact O-N 3.17Å
32L91.5Very high91.3Very high0 Ų066.2 Ų66.20%030%0.298CS..EExtended strand (participates in β ladder)trans-104.3130.5174.2-62.5143.3000109V38 F39 L46 I70 I72 V82 L86 F111L32-V38 WeakPolarHBondContact O-CA 3.49Å; L32-F39 HydrophobicContact CB-CB 4.26Å; L32-F39 PolarHBondContact N-O 3.32Å; L32-F39 PolarHBondContact O-N 3.17Å; L32-L46 HydrophobicContact CD1-CD2 4.03Å; L32-I70 CarbonylContact C-O 3.58Å; L32-I70 VanDerWaalsContact CA-O 3.3Å; L32-I70 WeakPolarHBondContact CA-O 3.36Å; L32-I70 HydrophobicContact CD2-CB 3.71Å; L32-I70 HydrophobicContact CD2-CD1 4.08Å; L32-I70 HydrophobicContact CD2-CG1 4.46Å; L32-I70 HydrophobicContact CD2-CG2 3.79Å; L32-I72 HydrophobicContact CD2-CD1 3.92Å; L32-V82 HydrophobicContact CD1-CG1 4.41Å; L32-L86 HydrophobicContact CD1-CD1 4.09Å; L32-L86 HydrophobicContact CD1-CD2 3.84Å; L32-L86 HydrophobicContact CD1-CG 4.3Å; L32-F111 HydrophobicContact CD2-CE1 4.11Å; L32-F111 HydrophobicContact CD2-CZ 4.13Å
33T92.3Very high91Very high34 Ų3467.1 Ų67.121%0.20930%0.302CS..EExtended strand (participates in β ladder)trans-116.4125.4-178.758.20000111.4H37 V38 I70 T71 I72T33-H37 WeakPolarHBondContact CA-O 3.27Å; T33-V38 HydrophobicContact CG2-CG1 4.26Å; T33-V38 HydrophobicContact CG2-CG2 4.09Å; T33-I70 PolarHBondContact N-O 3.19Å; T33-T71 WeakPolarHBondContact OG1-CA 3.49Å; T33-T71 PolarHBondContact OG1-OG1 2.61Å; T33-I72 PolarHBondContact O-N 2.83Å
34V92.3Very high90.9Very high2 Ų266.2 Ų66.21%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-141.4124-179.7-171.10000109.5H36 H37 F39 I72 P74 L77 P79 V82V34-H36 VanDerWaalsContact C-N 3.27Å; V34-H36 PolarHBondContact O-N 3.04Å; V34-H36 VanDerWaalsContact O-N 3.12Å; V34-H37 PolarHBondContact N-O 3.35Å; V34-H37 WeakPolarHBondContact O-CA 3.14Å; V34-H37 WeakPolarHBondContact O-CB 3.11Å; V34-H37 PolarHBondContact O-N 3.06Å; V34-F39 HydrophobicContact CB-CE2 4.48Å; V34-F39 HydrophobicContact CG2-CE2 4.35Å; V34-I72 HydrophobicContact CG2-CB 3.73Å; V34-I72 HydrophobicContact CG2-CD1 3.96Å; V34-I72 HydrophobicContact CG2-CG1 4.16Å; V34-I72 HydrophobicContact CG2-CG2 4.46Å; V34-P74 HydrophobicContact CG1-CB 4.37Å; V34-L77 WeakPolarHBondContact CG1-O 3.33Å; V34-P79 HydrophobicContact CB-CG 4.33Å; V34-P79 HydrophobicContact CG1-CG 4.03Å; V34-V82 HydrophobicContact CG2-CG2 3.82Å
35D81.5Confident90.7Very high91 Ų9158.3 Ų58.349%0.48727%0.274SS..THydrogen-bonded Turntrans41.751.7175.8-154.726.4000113.6H37 P74 P79D35-H37 PolarHBondContact O-N 3.12Å; D35-H37 VanDerWaalsContact O-N 3.15Å; D35-H37 PolarHBondContact O-ND1 2.97Å; D35-P74 HydrophobicContact CB-CB 3.82Å; D35-P79 HydrophobicContact CB-CG 4.22Å
36H86.8Confident90.6Very high186 Ų18652.1 Ų52.186%0.86125%0.247SC*.THydrogen-bonded Turntrans70-2.4-176.6-45.2-71.8000117.4V34V34-H36 VanDerWaalsContact C-N 3.27Å; V34-H36 PolarHBondContact O-N 3.04Å; V34-H36 VanDerWaalsContact O-N 3.12Å
37H91.8Very high90.5Very high104 Ų10449.9 Ų49.948%0.48124%0.24SC..EExtended strand (participates in β ladder)trans-88.3135.6173.4-62.872.2000110.6T33 V34 D35 F39 P79T33-H37 WeakPolarHBondContact CA-O 3.27Å; V34-H37 PolarHBondContact N-O 3.35Å; V34-H37 WeakPolarHBondContact O-CA 3.14Å; V34-H37 WeakPolarHBondContact O-CB 3.11Å; V34-H37 PolarHBondContact O-N 3.06Å; D35-H37 PolarHBondContact O-N 3.12Å; D35-H37 VanDerWaalsContact O-N 3.15Å; D35-H37 PolarHBondContact O-ND1 2.97Å; H37-F39 HydrophobicContact CB-CE2 3.76Å; H37-F39 HydrophobicContact CB-CZ 3.99Å; H37-P79 HydrophobicContact CB-CB 4.18Å; H37-P79 HydrophobicContact CB-CG 4.48Å
38V92.8Very high90.6Very high72 Ų7245.4 Ų45.444%0.43624%0.24SC..EExtended strand (participates in β ladder)trans-114121.8177.8-172.80000109.5A31 L32 T33 F40A31-V38 HydrophobicContact CB-CG1 4.01Å; L32-V38 WeakPolarHBondContact O-CA 3.49Å; T33-V38 HydrophobicContact CG2-CG1 4.26Å; T33-V38 HydrophobicContact CG2-CG2 4.09Å; V38-F40 HydrophobicContact CB-CZ 4.5Å; V38-F40 HydrophobicContact CG1-CE1 4.08Å; V38-F40 HydrophobicContact CG1-CE2 4.17Å; V38-F40 HydrophobicContact CG1-CZ 3.84Å
39F93.9Very high90.5Very high28 Ų2844.5 Ų44.512%0.12324%0.243CC..EExtended strand (participates in β ladder)trans-109.6112.3178.5-58.1-87.1000110.3A31 L32 V34 H37 P79 V82 D83 L86A31-F39 CarbonylContact C-O 3.46Å; A31-F39 WeakPolarHBondContact CA-O 3.33Å; L32-F39 HydrophobicContact CB-CB 4.26Å; L32-F39 PolarHBondContact N-O 3.32Å; L32-F39 PolarHBondContact O-N 3.17Å; V34-F39 HydrophobicContact CB-CE2 4.48Å; V34-F39 HydrophobicContact CG2-CE2 4.35Å; H37-F39 HydrophobicContact CB-CE2 3.76Å; H37-F39 HydrophobicContact CB-CZ 3.99Å; F39-P79 HydrophobicContact CE2-CB 4.13Å; F39-P79 HydrophobicContact CZ-CB 3.81Å; F39-P79 WeakPolarHBondContact CZ-O 3.45Å; F39-V82 HydrophobicContact CD2-CB 4.36Å; F39-V82 HydrophobicContact CD2-CG1 3.76Å; F39-V82 HydrophobicContact CE2-CB 4.15Å; F39-V82 HydrophobicContact CE2-CG1 4.07Å; F39-V82 HydrophobicContact CG-CG1 4.04Å; F39-V82 HydrophobicContact CZ-CB 4.45Å; F39-D83 HydrophobicContact CD1-CB 4.4Å; F39-D83 HydrophobicContact CE1-CB 3.84Å; F39-L86 HydrophobicContact CB-CD1 3.57Å; F39-L86 HydrophobicContact CD1-CD1 4.22Å; F39-L86 HydrophobicContact CG-CD1 4.12Å
40F93.6Very high90.5Very high43 Ų4341.8 Ų41.819%0.18923%0.228CC..EExtended strand (participates in β ladder)trans-80.2139.6177.8-58.7-79.9000111R22 K25 W28 A31 V38R22-F40 WeakPolarHBondContact CG-O 3.5Å; K25-F40 HydrophobicContact CB-CD2 4.48Å; K25-F40 HydrophobicContact CD-CD2 3.71Å; K25-F40 HydrophobicContact CD-CE2 3.75Å; K25-F40 HydrophobicContact CG-CD2 3.79Å; K25-F40 HydrophobicContact CG-CE2 4.35Å; K25-F40 HydrophobicContact CG-CG 4.35Å; W28-F40 HydrophobicContact CB-CB 4.05Å; W28-F40 AromaticContact CD2-CD1 3.44Å; W28-F40 HydrophobicContact CD2-CD1 3.44Å; W28-F40 VanDerWaalsContact CD2-CD1 3.44Å; W28-F40 HydrophobicContact CD2-CE1 4.06Å; W28-F40 HydrophobicContact CD2-CG 4.38Å; W28-F40 AromaticContact CE2-CD1 3.62Å; W28-F40 AromaticContact CE2-CE1 3.79Å; W28-F40 AromaticContact CE3-CD1 3.75Å; W28-F40 HydrophobicContact CE3-CD1 3.75Å; W28-F40 HydrophobicContact CE3-CE1 4.3Å; W28-F40 HydrophobicContact CG-CB 4.1Å; W28-F40 AromaticContact CG-CD1 3.8Å; W28-F40 HydrophobicContact CG-CD1 3.8Å; W28-F40 HydrophobicContact CG-CG 4.29Å; W28-F40 HydrophobicContact CH2-CD1 4.34Å; W28-F40 HydrophobicContact CH2-CE1 4.08Å; W28-F40 HydrophobicContact CZ2-CD1 4.09Å; W28-F40 AromaticContact CZ2-CE1 3.81Å; W28-F40 HydrophobicContact CZ2-CE1 3.81Å; W28-F40 HydrophobicContact CZ3-CD1 4.18Å; W28-F40 HydrophobicContact CZ3-CE1 4.31Å; A31-F40 HydrophobicContact CB-CD1 4.31Å; V38-F40 HydrophobicContact CB-CZ 4.5Å; V38-F40 HydrophobicContact CG1-CE1 4.08Å; V38-F40 HydrophobicContact CG1-CE2 4.17Å; V38-F40 HydrophobicContact CG1-CZ 3.84Å
41A93.9Very high90.3Very high0 Ų044.7 Ų44.70%025%0.247CC..EExtended strand (participates in β ladder)trans-151.2165.3-179.400000112D29 M30 L46 L86D29-A41 PolarHBondContact N-O 2.85Å; M30-A41 PolarHBondContact N-O 3.3Å; M30-A41 VanDerWaalsContact N-O 3.15Å; M30-A41 PolarHBondContact O-N 3.36Å; A41-L46 HydrophobicContact CB-CD1 3.78Å; A41-L46 HydrophobicContact CB-CD2 4.33Å; A41-L86 HydrophobicContact CB-CD2 4.16Å
42H92.6Very high90.1Very high9 Ų947.3 Ų47.34%0.04226%0.261CS..  trans-94.7125.4170.9-43.692.8000110.6L18 E26 Y27 D29 N44 V45 L46 Y90L18-H42 PolarHBondContact O-CE1 3.48Å; L18-H42 VanDerWaalsContact O-CE1 3.29Å; E26-H42 PolarHBondContact O-NE2 2.93Å; Y27-H42 PolarHBondContact O-CD2 2.74Å; Y27-H42 VanDerWaalsContact O-CD2 3.28Å; D29-H42 WeakPolarHBondContact OD1-CA 3.2Å; H42-N44 VanDerWaalsContact C-N 3.29Å; H42-N44 WeakPolarHBondContact CB-OD1 3.44Å; H42-N44 PolarHBondContact O-N 3.46Å; H42-V45 HydrophobicContact CB-CG2 4.19Å; H42-V45 PolarHBondContact O-N 3.24Å; H42-L46 PolarHBondContact O-N 3.36Å; H42-Y90 WeakPolarHBondContact CB-OH 3.37Å; H42-Y90 PolarHBondContact N-OH 3.22Å; H42-Y90 AromaticContact ND1-CE1 3.41Å; H42-Y90 WeakPolarHBondContact ND1-CE1 3.42Å; H42-Y90 AromaticContact ND1-CZ 3.53Å; H42-Y90 PolarHBondContact ND1-OH 2.96Å
43R89.1Confident89.7Confident37 Ų3747.4 Ų47.414%0.1426%0.261CS..Hα-helixtrans-57-41.9-178.9-175.5-177.8179.1171.96.5111.4D29 M30 L46 A47 I57D29-R43 VanDerWaalsContact CG-CB 3.48Å; D29-R43 WeakPolarHBondContact OD1-CB 3.23Å; D29-R43 PolarHBondContact OD1-N 2.98Å; D29-R43 VanDerWaalsContact OD2-CB 3.25Å; D29-R43 WeakPolarHBondContact OD2-CB 3.42Å; M30-R43 HydrophobicContact CB-CB 4.41Å; M30-R43 HydrophobicContact CE-CB 4.13Å; M30-R43 HydrophobicContact CE-CG 3.9Å; R43-L46 PolarHBondContact O-N 3.45Å; R43-A47 WeakPolarHBondContact O-CB 3.29Å; R43-A47 PolarHBondContact O-N 2.91Å; R43-I57 HydrophobicContact CG-CD1 3.32Å; R43-I57 HydrophobicContact CG-CG1 4.01Å; R43-I57 VanDerWaalsContact NE-CG1 3.27Å
44N88.9Confident89.5Confident100 Ų10051.8 Ų51.854%0.53528%0.278SS..Hα-helixtrans-62.7-41.3179.763.4-12.2000112.9H42 A48H42-N44 VanDerWaalsContact C-N 3.29Å; H42-N44 WeakPolarHBondContact CB-OD1 3.44Å; H42-N44 PolarHBondContact O-N 3.46Å; N44-A48 WeakPolarHBondContact O-CB 3.37Å; N44-A48 PolarHBondContact O-N 3.21Å
45V91.6Very high89.2Confident8 Ų854.6 Ų54.65%0.04830%0.297CS..Hα-helixtrans-67.8-47.8178.6178.50000109.8L18 H42 A48 V49 Y90L18-V45 HydrophobicContact CD1-CG2 3.94Å; H42-V45 HydrophobicContact CB-CG2 4.19Å; H42-V45 PolarHBondContact O-N 3.24Å; V45-A48 WeakPolarHBondContact O-CB 3.07Å; V45-A48 PolarHBondContact O-N 3.23Å; V45-V49 WeakPolarHBondContact O-CG2 3.35Å; V45-V49 PolarHBondContact O-N 2.85Å; V45-Y90 HydrophobicContact CB-CE1 4.05Å; V45-Y90 HydrophobicContact CB-CE2 4.15Å; V45-Y90 HydrophobicContact CG1-CD1 4.1Å; V45-Y90 HydrophobicContact CG1-CD2 3.92Å; V45-Y90 HydrophobicContact CG1-CE1 3.89Å; V45-Y90 HydrophobicContact CG1-CE2 3.68Å; V45-Y90 HydrophobicContact CG1-CG 4.13Å; V45-Y90 HydrophobicContact CG2-CD1 4.46Å; V45-Y90 HydrophobicContact CG2-CE1 3.77Å
46L90.7Very high89.3Confident0 Ų053 Ų530%029%0.288CS..Hα-helixtrans-67.8-37.8179.7-87.770.6000111.9M30 L32 A41 H42 R43 A48 V49 S50 V53 L86 F89 Y90M30-L46 HydrophobicContact SD-CB 4.21Å; M30-L46 HydrophobicContact SD-CD2 3.6Å; M30-L46 VanDerWaalsContact SD-CD2 3.6Å; M30-L46 HydrophobicContact SD-CG 4.44Å; L32-L46 HydrophobicContact CD1-CD2 4.03Å; A41-L46 HydrophobicContact CB-CD1 3.78Å; A41-L46 HydrophobicContact CB-CD2 4.33Å; H42-L46 PolarHBondContact O-N 3.36Å; R43-L46 PolarHBondContact O-N 3.45Å; L46-A48 VanDerWaalsContact C-N 3.26Å; L46-A48 PolarHBondContact O-N 3.02Å; L46-V49 PolarHBondContact O-N 2.89Å; L46-S50 WeakPolarHBondContact O-CA 3.23Å; L46-S50 VanDerWaalsContact O-CB 3.3Å; L46-S50 WeakPolarHBondContact O-CB 3.17Å; L46-S50 PolarHBondContact O-N 2.87Å; L46-V53 HydrophobicContact CB-CB 4.42Å; L46-V53 HydrophobicContact CB-CG1 3.95Å; L46-V53 HydrophobicContact CB-CG2 4.38Å; L46-L86 HydrophobicContact CD1-CD2 4.03Å; L46-L86 HydrophobicContact CD2-CD2 4.09Å; L46-L86 HydrophobicContact CG-CD2 4.49Å; L46-F89 HydrophobicContact CG-CD2 4.19Å; L46-Y90 HydrophobicContact CD1-CE2 3.78Å
47A89.4Confident89Confident22 Ų2245.6 Ų45.618%0.18226%0.255CS..Hα-helixtrans-65.2-29.5174.600000113R43 K54 I57R43-A47 WeakPolarHBondContact O-CB 3.29Å; R43-A47 PolarHBondContact O-N 2.91Å; A47-K54 HydrophobicContact CB-CB 4.44Å; A47-I57 HydrophobicContact CB-CD1 3.7Å
48A89.5Confident88.5Confident87 Ų8744.7 Ų44.772%0.71926%0.26SS*.Hα-helixtrans-72.1-31.1175.900000112.5N44 V45 L46N44-A48 WeakPolarHBondContact O-CB 3.37Å; N44-A48 PolarHBondContact O-N 3.21Å; V45-A48 WeakPolarHBondContact O-CB 3.07Å; V45-A48 PolarHBondContact O-N 3.23Å; L46-A48 VanDerWaalsContact C-N 3.26Å; L46-A48 PolarHBondContact O-N 3.02Å
49V87.9Confident87.7Confident53 Ų5345.1 Ų45.132%0.32127%0.267SS..Hα-helixtrans-102.4-31.6-173.5-176.70000112.9V45 L46 F89 T113V45-V49 WeakPolarHBondContact O-CG2 3.35Å; V45-V49 PolarHBondContact O-N 2.85Å; L46-V49 PolarHBondContact O-N 2.89Å; V49-F89 HydrophobicContact CB-CD1 4.42Å; V49-F89 HydrophobicContact CG1-CB 4.36Å; V49-F89 HydrophobicContact CG1-CD1 3.56Å; V49-F89 HydrophobicContact CG1-CE1 4.16Å; V49-F89 HydrophobicContact CG1-CG 4.11Å; V49-T113 HydrophobicContact CG1-CG2 4.4Å
50S88.8Confident86.4Confident1 Ų148.1 Ų48.11%0.00728%0.284CS..  trans-113.7110.2-176176.80000111.2L46 L52 V53 K54 F111L46-S50 WeakPolarHBondContact O-CA 3.23Å; L46-S50 VanDerWaalsContact O-CB 3.3Å; L46-S50 WeakPolarHBondContact O-CB 3.17Å; L46-S50 PolarHBondContact O-N 2.87Å; S50-L52 PolarHBondContact O-N 2.86Å; S50-V53 PolarHBondContact O-N 3.24Å; S50-V53 PolarHBondContact OG-N 3.25Å; S50-K54 PolarHBondContact O-N 3.02Å; S50-F111 WeakPolarHBondContact CB-O 3.49Å; S50-F111 PolarHBondContact OG-O 3.28Å
51P87.5Confident84.8Confident62 Ų6253.7 Ų53.740%0.40332%0.316SS..Hα-helixtrans-58.1-34.4172.6-24.234000113.2K54 S55 N112P51-K54 WeakPolarHBondContact O-CB 3.47Å; P51-K54 PolarHBondContact O-N 3.32Å; P51-S55 PolarHBondContact O-N 3.34Å; P51-S55 PolarHBondContact O-OG 2.8Å; P51-N112 WeakPolarHBondContact CD-O 3.46Å
52L85Confident83.2Confident55 Ų5556.3 Ų56.329%0.28833%0.328SS..Hα-helixtrans-60.3-49.9176.1177.272.7000110.6S50 K54 S55 L56 Y110S50-L52 PolarHBondContact O-N 2.86Å; L52-K54 VanDerWaalsContact C-N 3.29Å; L52-K54 PolarHBondContact O-N 3.43Å; L52-S55 PolarHBondContact O-N 3.39Å; L52-S55 PolarHBondContact O-OG 2.76Å; L52-L56 HydrophobicContact CD1-CD1 4.39Å; L52-L56 HydrophobicContact CD1-CG 4.49Å; L52-L56 HydrophobicContact CD2-CD1 4.38Å; L52-L56 HydrophobicContact CG-CD1 3.98Å; L52-L56 HydrophobicContact CG-CG 4.45Å; L52-L56 WeakPolarHBondContact O-CG 3.44Å; L52-L56 PolarHBondContact O-N 3.33Å; L52-Y110 HydrophobicContact CD2-CD1 4.47Å; L52-Y110 HydrophobicContact CD2-CE1 4.35Å; L52-Y110 WeakPolarHBondContact CD2-O 3.3Å
53V84.8Confident81.7Confident1 Ų163.1 Ų63.11%0.00636%0.358CS..Hα-helixtrans-62.7-42.2179.2173.90000109.8M30 L46 S50 S55 L56 I57 I70 F111M30-V53 HydrophobicContact CE-CG1 3.39Å; M30-V53 HydrophobicContact SD-CG1 4.31Å; L46-V53 HydrophobicContact CB-CB 4.42Å; L46-V53 HydrophobicContact CB-CG1 3.95Å; L46-V53 HydrophobicContact CB-CG2 4.38Å; S50-V53 PolarHBondContact O-N 3.24Å; S50-V53 PolarHBondContact OG-N 3.25Å; V53-S55 VanDerWaalsContact C-N 3.34Å; V53-S55 PolarHBondContact O-N 3.39Å; V53-L56 PolarHBondContact O-N 3.23Å; V53-I57 HydrophobicContact CG1-CD1 3.53Å; V53-I57 HydrophobicContact CG1-CG1 4.29Å; V53-I57 WeakPolarHBondContact O-CB 3.27Å; V53-I57 VanDerWaalsContact O-CD1 3.27Å; V53-I57 WeakPolarHBondContact O-CD1 3.4Å; V53-I57 WeakPolarHBondContact O-CG1 3.15Å; V53-I57 PolarHBondContact O-N 3.16Å; V53-I70 HydrophobicContact CG2-CD1 4.43Å; V53-F111 HydrophobicContact CG2-CD1 4.31Å
54K86.4Confident80.1Confident127 Ų12768.4 Ų68.455%0.55239%0.394SS*.Hα-helixtrans-58.1-42.7174.7-170.7178.8179.4-179.40112.8A47 S50 P51 L52 S58A47-K54 HydrophobicContact CB-CB 4.44Å; S50-K54 PolarHBondContact O-N 3.02Å; P51-K54 WeakPolarHBondContact O-CB 3.47Å; P51-K54 PolarHBondContact O-N 3.32Å; L52-K54 VanDerWaalsContact C-N 3.29Å; L52-K54 PolarHBondContact O-N 3.43Å; K54-S58 WeakPolarHBondContact O-CB 3.19Å; K54-S58 PolarHBondContact O-N 2.87Å; K54-S58 VanDerWaalsContact O-N 3.12Å; K54-S58 PolarHBondContact O-OG 3.39Å
55S85.8Confident78.6Confident61 Ų6169 Ų6943%0.42740%0.402SS..Hα-helixtrans-69.3-43.4177.956.80000112.2P51 L52 V53 I57 S58 S59P51-S55 PolarHBondContact O-N 3.34Å; P51-S55 PolarHBondContact O-OG 2.8Å; L52-S55 PolarHBondContact O-N 3.39Å; L52-S55 PolarHBondContact O-OG 2.76Å; V53-S55 VanDerWaalsContact C-N 3.34Å; V53-S55 PolarHBondContact O-N 3.39Å; S55-I57 VanDerWaalsContact C-N 3.26Å; S55-I57 PolarHBondContact O-N 3.2Å; S55-S58 PolarHBondContact O-N 2.8Å; S55-S59 WeakPolarHBondContact O-CB 3.42Å; S55-S59 PolarHBondContact O-N 2.76Å; S55-S59 PolarHBondContact O-OG 3.21Å
56L83.6Confident77.5Confident57 Ų5772 Ų7230%0.29842%0.418SS..Hα-helixtrans-59.3-39.9177-73169.8000111.8L52 V53 S58 S59 N60L52-L56 HydrophobicContact CD1-CD1 4.39Å; L52-L56 HydrophobicContact CD1-CG 4.49Å; L52-L56 HydrophobicContact CD2-CD1 4.38Å; L52-L56 HydrophobicContact CG-CD1 3.98Å; L52-L56 HydrophobicContact CG-CG 4.45Å; L52-L56 WeakPolarHBondContact O-CG 3.44Å; L52-L56 PolarHBondContact O-N 3.33Å; V53-L56 PolarHBondContact O-N 3.23Å; L56-S58 VanDerWaalsContact C-N 3.33Å; L56-S59 PolarHBondContact O-OG 3.32Å; L56-N60 WeakPolarHBondContact O-CB 3.33Å; L56-N60 PolarHBondContact O-N 2.92Å
57I81.2Confident76.9Confident30 Ų3076.8 Ų76.815%0.15444%0.44CS..Hα-helixtrans-63.8-41175.5-74.3167.2000111.5M30 R43 A47 V53 S55 L68M30-I57 HydrophobicContact CE-CD1 4.22Å; R43-I57 HydrophobicContact CG-CD1 3.32Å; R43-I57 HydrophobicContact CG-CG1 4.01Å; R43-I57 VanDerWaalsContact NE-CG1 3.27Å; A47-I57 HydrophobicContact CB-CD1 3.7Å; V53-I57 HydrophobicContact CG1-CD1 3.53Å; V53-I57 HydrophobicContact CG1-CG1 4.29Å; V53-I57 WeakPolarHBondContact O-CB 3.27Å; V53-I57 VanDerWaalsContact O-CD1 3.27Å; V53-I57 WeakPolarHBondContact O-CD1 3.4Å; V53-I57 WeakPolarHBondContact O-CG1 3.15Å; V53-I57 PolarHBondContact O-N 3.16Å; S55-I57 VanDerWaalsContact C-N 3.26Å; S55-I57 PolarHBondContact O-N 3.2Å; I57-L68 HydrophobicContact CG1-CD2 4.25Å
58S82.4Confident76.5Confident86 Ų8676.4 Ų76.460%0.60144%0.435SS*.Hα-helixtrans-79.6-28.5-176.2-520000112.5K54 S55 L56K54-S58 WeakPolarHBondContact O-CB 3.19Å; K54-S58 PolarHBondContact O-N 2.87Å; K54-S58 VanDerWaalsContact O-N 3.12Å; K54-S58 PolarHBondContact O-OG 3.39Å; S55-S58 PolarHBondContact O-N 2.8Å; L56-S58 VanDerWaalsContact C-N 3.33Å
59S74.4Confident76.3Confident81 Ų8177.7 Ų77.757%0.56642%0.424SS*.Hα-helixtrans-82.3-28.9-177.761.60000113.9S55 L56 D61S55-S59 WeakPolarHBondContact O-CB 3.42Å; S55-S59 PolarHBondContact O-N 2.76Å; S55-S59 PolarHBondContact O-OG 3.21Å; L56-S59 PolarHBondContact O-OG 3.32Å; S59-D61 VanDerWaalsContact C-N 3.28Å; S59-D61 PolarHBondContact O-N 3.35Å
60N66.8Low76.2Confident91 Ų9175.9 Ų75.949%0.48741%0.413SS..THydrogen-bonded Turntrans-857.1-172.6-79.24.2000114.4L56 M62L56-N60 WeakPolarHBondContact O-CB 3.33Å; L56-N60 PolarHBondContact O-N 2.92Å; N60-M62 HydrophobicContact CB-CG 3.58Å; N60-M62 HydrophobicContact CB-SD 4.44Å; N60-M62 PolarHBondContact O-N 2.93Å
61D60.8Low76.2Confident159 Ų15981.1 Ų81.185%0.8545%0.445SS*.THydrogen-bonded Turntrans4534.1179.7-128.27.3000112.9S59 K63S59-D61 VanDerWaalsContact C-N 3.28Å; S59-D61 PolarHBondContact O-N 3.35Å; D61-K63 PolarHBondContact O-N 3.27Å
62M60.8Low76.3Confident55 Ų5578.3 Ų78.327%0.27143%0.426SS..  trans-72.4133.3-169.2-66.9-154.993.300110.5N60 D66 L68N60-M62 HydrophobicContact CB-CG 3.58Å; N60-M62 HydrophobicContact CB-SD 4.44Å; N60-M62 PolarHBondContact O-N 2.93Å; M62-D66 HydrophobicContact CE-CB 3.44Å; M62-D66 VanDerWaalsContact CE-CB 3.44Å; M62-L68 HydrophobicContact SD-CD1 3.7Å
63K59.5Low76.5Confident153 Ų15379.9 Ų79.967%0.66544%0.435SS*.  trans-67.2154.8170-66178.5-178.3175.40109.4D61 T65 D66D61-K63 PolarHBondContact O-N 3.27Å; K63-T65 PolarHBondContact O-N 3.13Å; K63-D66 PolarHBondContact O-N 2.83Å
64T57Low76.6Confident147 Ų14782.6 Ų82.690%0.90245%0.453SS*.THydrogen-bonded Turntrans-61.6-10.6-179.137.40000114.5
65T56.2Low76.7Confident113 Ų11383.2 Ų83.269%0.69346%0.462SS*.THydrogen-bonded Turntrans-96-9.3-177.448.20000114.6K63K63-T65 PolarHBondContact O-N 3.13Å
66D68.8Low76.8Confident72 Ų7283.9 Ų83.939%0.38546%0.456SS..PPolyproline II helixtrans-93.8126.3-171.7-58.9-22.3000111.2M62 K63M62-D66 HydrophobicContact CE-CB 3.44Å; M62-D66 VanDerWaalsContact CE-CB 3.44Å; K63-D66 PolarHBondContact O-N 2.83Å
67E77.9Confident77.2Confident100 Ų10081.1 Ų81.147%0.46744%0.442SS..PPolyproline II helixtrans-70.1132.1173.5-66.9174.2178.800110.5W28 F69W28-E67 HydrophobicContact CH2-CG 4.31Å; W28-E67 WeakPolarHBondContact CH2-OE1 3.5Å; W28-E67 VanDerWaalsContact CH2-OE2 3.23Å; W28-E67 WeakPolarHBondContact CH2-OE2 3.36Å; W28-E67 HydrophobicContact CZ3-CB 4.34Å; W28-E67 HydrophobicContact CZ3-CG 4.03Å; E67-F69 HydrophobicContact CB-CD2 4.46Å; E67-F69 HydrophobicContact CB-CE2 3.74Å; E67-F69 HydrophobicContact CB-CZ 4.28Å; E67-F69 WeakPolarHBondContact OE2-CZ 3.45Å
68L81.3Confident77.7Confident13 Ų1382.1 Ų82.17%0.06845%0.451CS..EExtended strand (participates in β ladder)trans-94.5119.9177.8-173.270.9000111.5D29 M30 A31 I57 M62 I70D29-L68 PolarHBondContact O-N 3.09Å; M30-L68 CarbonylContact C-O 3.5Å; M30-L68 VanDerWaalsContact CA-O 3.29Å; M30-L68 WeakPolarHBondContact CA-O 3.48Å; M30-L68 HydrophobicContact CE-CB 4.47Å; M30-L68 HydrophobicContact CE-CD2 3.44Å; M30-L68 VanDerWaalsContact CE-CD2 3.44Å; M30-L68 HydrophobicContact CE-CG 4.44Å; M30-L68 HydrophobicContact CG-CB 4.37Å; A31-L68 PolarHBondContact N-O 3.22Å; I57-L68 HydrophobicContact CG1-CD2 4.25Å; M62-L68 HydrophobicContact SD-CD1 3.7Å; L68-I70 HydrophobicContact CD2-CD1 4.06Å; L68-I70 HydrophobicContact CD2-CG1 4.2Å; L68-I70 HydrophobicContact CG-CG1 4.27Å
69F85.1Confident78.2Confident114 Ų11479.2 Ų79.250%0.543%0.43SS..EExtended strand (participates in β ladder)trans-103.6126.3172.8-66-88.1000110.9W28 A31 E67W28-F69 HydrophobicContact CH2-CZ 4.46Å; W28-F69 HydrophobicContact CZ3-CZ 4.42Å; A31-F69 HydrophobicContact CB-CD1 3.8Å; A31-F69 HydrophobicContact CB-CE1 3.77Å; A31-F69 WeakPolarHBondContact O-CA 3.35Å; E67-F69 HydrophobicContact CB-CD2 4.46Å; E67-F69 HydrophobicContact CB-CE2 3.74Å; E67-F69 HydrophobicContact CB-CZ 4.28Å; E67-F69 WeakPolarHBondContact OE2-CZ 3.45Å
70I85.9Confident79.1Confident15 Ų1577.5 Ų77.58%0.07743%0.425CS..EExtended strand (participates in β ladder)trans-117.3111.9175.6-62.7172.3000108.4M30 A31 L32 T33 V53 L68 I72 Y110M30-I70 HydrophobicContact CE-CD1 4.4Å; M30-I70 HydrophobicContact SD-CD1 4.21Å; A31-I70 PolarHBondContact O-N 3.17Å; L32-I70 CarbonylContact C-O 3.58Å; L32-I70 VanDerWaalsContact CA-O 3.3Å; L32-I70 WeakPolarHBondContact CA-O 3.36Å; L32-I70 HydrophobicContact CD2-CB 3.71Å; L32-I70 HydrophobicContact CD2-CD1 4.08Å; L32-I70 HydrophobicContact CD2-CG1 4.46Å; L32-I70 HydrophobicContact CD2-CG2 3.79Å; T33-I70 PolarHBondContact N-O 3.19Å; V53-I70 HydrophobicContact CG2-CD1 4.43Å; L68-I70 HydrophobicContact CD2-CD1 4.06Å; L68-I70 HydrophobicContact CD2-CG1 4.2Å; L68-I70 HydrophobicContact CG-CG1 4.27Å; I70-I72 HydrophobicContact CG2-CG1 4.22Å; I70-Y110 WeakPolarHBondContact CG2-OH 3.32Å
71T88.4Confident80.4Confident112 Ų11273.5 Ų73.569%0.68740%0.403SS*.EExtended strand (participates in β ladder)trans-88.4124.3174-48.70000109.9T33T33-T71 WeakPolarHBondContact OG1-CA 3.49Å; T33-T71 PolarHBondContact OG1-OG1 2.61Å
72I89.9Confident81.9Confident2 Ų265.9 Ų65.91%0.0136%0.363CS..  trans-107.5132.8178.1-51.3176000108.5L32 T33 V34 I70 L77 V82 Y110 F111L32-I72 HydrophobicContact CD2-CD1 3.92Å; T33-I72 PolarHBondContact O-N 2.83Å; V34-I72 HydrophobicContact CG2-CB 3.73Å; V34-I72 HydrophobicContact CG2-CD1 3.96Å; V34-I72 HydrophobicContact CG2-CG1 4.16Å; V34-I72 HydrophobicContact CG2-CG2 4.46Å; I70-I72 HydrophobicContact CG2-CG1 4.22Å; I72-L77 HydrophobicContact CG2-CB 3.94Å; I72-L77 HydrophobicContact CG2-CD1 4.07Å; I72-L77 HydrophobicContact CG2-CG 4.5Å; I72-V82 HydrophobicContact CD1-CG2 4.06Å; I72-Y110 HydrophobicContact CD1-CE1 4.11Å; I72-Y110 HydrophobicContact CG1-CE1 4.15Å; I72-Y110 HydrophobicContact CG2-CE2 4.37Å; I72-F111 HydrophobicContact CD1-CZ 4.08Å
73D89.9Confident83.5Confident88 Ų8866.3 Ų66.347%0.47137%0.366SS..  trans-63.1123175.6-174-17.6000110N75 Y76 L77D73-N75 PolarHBondContact O-N 3.43Å; D73-N75 VanDerWaalsContact OD1-CB 3.31Å; D73-N75 WeakPolarHBondContact OD1-CB 3.3Å; D73-N75 PolarHBondContact OD1-N 3.44Å; D73-N75 PolarHBondContact OD1-ND2 2.88Å; D73-Y76 WeakPolarHBondContact O-CB 3.34Å; D73-Y76 PolarHBondContact O-N 3.31Å; D73-L77 PolarHBondContact O-N 2.91Å
74P87.4Confident85.1Confident59 Ų5962.9 Ų62.938%0.38335%0.353SS..THydrogen-bonded Turntrans-64.1-21.1178.829.6-38.7000113.7V34 D35 Y76V34-P74 HydrophobicContact CG1-CB 4.37Å; D35-P74 HydrophobicContact CB-CB 3.82Å; P74-Y76 PolarHBondContact O-N 3.29Å
75N87.5Confident86.9Confident140 Ų14056 Ų5675%0.74931%0.31SS*.THydrogen-bonded Turntrans-72.4-18.5172.8-60.8-56.8000112.5D73D73-N75 PolarHBondContact O-N 3.43Å; D73-N75 VanDerWaalsContact OD1-CB 3.31Å; D73-N75 WeakPolarHBondContact OD1-CB 3.3Å; D73-N75 PolarHBondContact OD1-N 3.44Å; D73-N75 PolarHBondContact OD1-ND2 2.88Å
76Y88.4Confident88.7Confident74 Ų7450.6 Ų50.629%0.2928%0.277SS..THydrogen-bonded Turntrans-96.7-46-178.7-167.1-93.4000112.4D73 P74 R106 Y110D73-Y76 WeakPolarHBondContact O-CB 3.34Å; D73-Y76 PolarHBondContact O-N 3.31Å; P74-Y76 PolarHBondContact O-N 3.29Å; Y76-R106 HydrophobicContact CE1-CB 3.88Å; Y76-R106 WeakPolarHBondContact O-CD 3.21Å; Y76-Y110 HydrophobicContact CD1-CD2 4.14Å; Y76-Y110 HydrophobicContact CE1-CD2 4.05Å; Y76-Y110 HydrophobicContact CE1-CG 4.42Å
77L92.1Very high89.9Confident0 Ų049.1 Ų49.10%027%0.269CS..  trans-136132.3178.6-79.8167.2000111.2V34 I72 D73 T81 V82 R106 Y110 F111V34-L77 WeakPolarHBondContact CG1-O 3.33Å; I72-L77 HydrophobicContact CG2-CB 3.94Å; I72-L77 HydrophobicContact CG2-CD1 4.07Å; I72-L77 HydrophobicContact CG2-CG 4.5Å; D73-L77 PolarHBondContact O-N 2.91Å; L77-T81 HydrophobicContact CD2-CG2 3.83Å; L77-V82 HydrophobicContact CB-CG2 4.29Å; L77-R106 HydrophobicContact CD2-CB 4.08Å; L77-Y110 HydrophobicContact CD1-CD1 4.33Å; L77-Y110 HydrophobicContact CD1-CG 4.07Å; L77-F111 HydrophobicContact CD1-CE2 4.4Å
78C92Very high90.7Very high50 Ų5045.7 Ų45.734%0.33825%0.252SS..  trans-81.4154.5174.177.10000112.4G80 T81 V82C78-G80 VanDerWaalsContact C-N 3.27Å; C78-G80 PolarHBondContact O-N 2.92Å; C78-T81 PolarHBondContact O-N 2.97Å; C78-T81 VanDerWaalsContact O-N 3.1Å; C78-T81 PolarHBondContact SG-OG1 2.86Å; C78-V82 PolarHBondContact O-N 3.27Å
79P92.9Very high91.3Very high26 Ų2645.6 Ų45.617%0.16925%0.251CS..Hα-helixtrans-55.8-38.7-179.5-26.634.2000113.7V34 D35 H37 F39 T81 V82 D83V34-P79 HydrophobicContact CB-CG 4.33Å; V34-P79 HydrophobicContact CG1-CG 4.03Å; D35-P79 HydrophobicContact CB-CG 4.22Å; H37-P79 HydrophobicContact CB-CB 4.18Å; H37-P79 HydrophobicContact CB-CG 4.48Å; F39-P79 HydrophobicContact CE2-CB 4.13Å; F39-P79 HydrophobicContact CZ-CB 3.81Å; F39-P79 WeakPolarHBondContact CZ-O 3.45Å; P79-T81 VanDerWaalsContact C-N 3.32Å; P79-T81 PolarHBondContact O-N 3.03Å; P79-V82 PolarHBondContact O-N 2.86Å; P79-D83 PolarHBondContact O-N 2.94Å; P79-D83 VanDerWaalsContact O-N 3.12Å
80G92.6Very high91.7Very high44 Ų4440.2 Ų40.245%0.45423%0.227SC..Hα-helixtrans-63.3-3617900000113.4C78 Q84C78-G80 VanDerWaalsContact C-N 3.27Å; C78-G80 PolarHBondContact O-N 2.92Å; G80-Q84 WeakPolarHBondContact O-CG 3.21Å; G80-Q84 PolarHBondContact O-N 2.78Å; G80-Q84 VanDerWaalsContact O-N 3.17Å
81T93.3Very high91.9Very high7 Ų742.1 Ų42.14%0.04324%0.242CC..Hα-helixtrans-70.8-38.9176.2-59.50000111.2L77 C78 P79 D83 Q84 L85 E103 L104L77-T81 HydrophobicContact CD2-CG2 3.83Å; C78-T81 PolarHBondContact O-N 2.97Å; C78-T81 VanDerWaalsContact O-N 3.1Å; C78-T81 PolarHBondContact SG-OG1 2.86Å; P79-T81 VanDerWaalsContact C-N 3.32Å; P79-T81 PolarHBondContact O-N 3.03Å; T81-D83 VanDerWaalsContact C-N 3.32Å; T81-D83 PolarHBondContact O-N 2.72Å; T81-Q84 PolarHBondContact O-N 3.15Å; T81-L85 HydrophobicContact CG2-CD1 3.93Å; T81-L85 HydrophobicContact CG2-CG 4.25Å; T81-L85 WeakPolarHBondContact O-CB 3.37Å; T81-L85 VanDerWaalsContact O-CG 3.25Å; T81-L85 WeakPolarHBondContact O-CG 3.35Å; T81-L85 PolarHBondContact O-N 2.94Å; T81-E103 HydrophobicContact CG2-CB 3.86Å; T81-E103 VanDerWaalsContact OG1-CB 3.3Å; T81-E103 WeakPolarHBondContact OG1-CB 3.45Å; T81-L104 HydrophobicContact CG2-CD2 4.43Å
82V93.5Very high92Very high0 Ų039.5 Ų39.50%024%0.238CC..Hα-helixtrans-61.2-41.9176.5176.50000111.1L32 V34 F39 I72 L77 C78 P79 L85 L86L32-V82 HydrophobicContact CD1-CG1 4.41Å; V34-V82 HydrophobicContact CG2-CG2 3.82Å; F39-V82 HydrophobicContact CD2-CB 4.36Å; F39-V82 HydrophobicContact CD2-CG1 3.76Å; F39-V82 HydrophobicContact CE2-CB 4.15Å; F39-V82 HydrophobicContact CE2-CG1 4.07Å; F39-V82 HydrophobicContact CG-CG1 4.04Å; F39-V82 HydrophobicContact CZ-CB 4.45Å; I72-V82 HydrophobicContact CD1-CG2 4.06Å; L77-V82 HydrophobicContact CB-CG2 4.29Å; C78-V82 PolarHBondContact O-N 3.27Å; P79-V82 PolarHBondContact O-N 2.86Å; V82-L85 PolarHBondContact O-N 3.26Å; V82-L86 HydrophobicContact CG1-CD1 4.17Å; V82-L86 WeakPolarHBondContact O-CB 3.04Å; V82-L86 WeakPolarHBondContact O-CG 3.43Å; V82-L86 PolarHBondContact O-N 2.62Å
83D93.4Very high92.1Very high64 Ų6447.2 Ų47.234%0.34227%0.271SS..Hα-helixtrans-63.8-42.5175.2-166.744.9000112.3R22 F39 P79 T81 L85 L86 D87R22-D83 IonicContact NH1-OD1 3.78Å; R22-D83 IonicContact NH2-OD1 3.29Å; F39-D83 HydrophobicContact CD1-CB 4.4Å; F39-D83 HydrophobicContact CE1-CB 3.84Å; P79-D83 PolarHBondContact O-N 2.94Å; P79-D83 VanDerWaalsContact O-N 3.12Å; T81-D83 VanDerWaalsContact C-N 3.32Å; T81-D83 PolarHBondContact O-N 2.72Å; D83-L85 VanDerWaalsContact C-N 3.35Å; D83-L85 PolarHBondContact O-N 3.08Å; D83-L86 PolarHBondContact O-N 3.23Å; D83-D87 PolarHBondContact O-N 2.87Å
84Q94.5Very high92.3Very high81 Ų8145 Ų4538%0.37926%0.261SS..Hα-helixtrans-61.2-41.4174.9-72.9-178.617.900112.4G80 T81 D87 Y88 N100G80-Q84 WeakPolarHBondContact O-CG 3.21Å; G80-Q84 PolarHBondContact O-N 2.78Å; G80-Q84 VanDerWaalsContact O-N 3.17Å; T81-Q84 PolarHBondContact O-N 3.15Å; Q84-D87 PolarHBondContact O-N 3.44Å; Q84-Y88 WeakPolarHBondContact O-CB 3.38Å; Q84-Y88 PolarHBondContact O-N 3.44Å; Q84-N100 PolarHBondContact OE1-ND2 3.3Å
85L94.5Very high92.7Very high1 Ų148 Ų481%0.00528%0.277CS..Hα-helixtrans-66.8-40.3177.3-70.3167.4000111.6T81 V82 D83 Y88 F89 L104 F111 L116T81-L85 HydrophobicContact CG2-CD1 3.93Å; T81-L85 HydrophobicContact CG2-CG 4.25Å; T81-L85 WeakPolarHBondContact O-CB 3.37Å; T81-L85 VanDerWaalsContact O-CG 3.25Å; T81-L85 WeakPolarHBondContact O-CG 3.35Å; T81-L85 PolarHBondContact O-N 2.94Å; V82-L85 PolarHBondContact O-N 3.26Å; D83-L85 VanDerWaalsContact C-N 3.35Å; D83-L85 PolarHBondContact O-N 3.08Å; L85-Y88 CarbonylContact O-C 3.52Å; L85-Y88 WeakPolarHBondContact O-CB 3.43Å; L85-Y88 PolarHBondContact O-N 3.12Å; L85-F89 HydrophobicContact CB-CE2 4.29Å; L85-F89 HydrophobicContact CB-CZ 4.13Å; L85-F89 WeakPolarHBondContact O-CD1 3.42Å; L85-F89 WeakPolarHBondContact O-CD2 3.14Å; L85-F89 WeakPolarHBondContact O-CG 3.25Å; L85-F89 PolarHBondContact O-N 3.25Å; L85-L104 HydrophobicContact CD2-CD2 4.12Å; L85-F111 HydrophobicContact CD1-CD2 3.98Å; L85-F111 HydrophobicContact CD1-CE2 3.85Å; L85-L116 HydrophobicContact CD2-CD2 3.42Å; L85-L116 VanDerWaalsContact CD2-CD2 3.42Å
86L93.9Very high93Very high1 Ų143 Ų431%0.00525%0.25CS..Hα-helixtrans-63.8-46174.2-74.2172.7000111.1L32 F39 A41 L46 V82 D83 Y88 F89 Y90L32-L86 HydrophobicContact CD1-CD1 4.09Å; L32-L86 HydrophobicContact CD1-CD2 3.84Å; L32-L86 HydrophobicContact CD1-CG 4.3Å; F39-L86 HydrophobicContact CB-CD1 3.57Å; F39-L86 HydrophobicContact CD1-CD1 4.22Å; F39-L86 HydrophobicContact CG-CD1 4.12Å; A41-L86 HydrophobicContact CB-CD2 4.16Å; L46-L86 HydrophobicContact CD1-CD2 4.03Å; L46-L86 HydrophobicContact CD2-CD2 4.09Å; L46-L86 HydrophobicContact CG-CD2 4.49Å; V82-L86 HydrophobicContact CG1-CD1 4.17Å; V82-L86 WeakPolarHBondContact O-CB 3.04Å; V82-L86 WeakPolarHBondContact O-CG 3.43Å; V82-L86 PolarHBondContact O-N 2.62Å; D83-L86 PolarHBondContact O-N 3.23Å; L86-Y88 PolarHBondContact O-N 2.91Å; L86-F89 HydrophobicContact CD2-CD2 4.35Å; L86-F89 PolarHBondContact O-N 3.1Å; L86-F89 VanDerWaalsContact O-N 3.17Å; L86-Y90 VanDerWaalsContact O-CD2 3.23Å; L86-Y90 WeakPolarHBondContact O-CD2 3.26Å; L86-Y90 PolarHBondContact O-N 3.4Å; L86-Y90 VanDerWaalsContact O-N 3.13Å
87D93.6Very high93.3Very high40 Ų4041.3 Ų41.321%0.21425%0.25CC..Hα-helixtrans-60.4-36.1174.2-94.9-13.9000111.6N19 R22 K23 D83 Q84 S91N19-D87 PolarHBondContact ND2-OD1 3.35Å; R22-D87 IonicContact CZ-OD1 3.89Å; R22-D87 IonicContact NH2-OD1 3.46Å; R22-D87 PolarHBondContact NH2-OD1 3.32Å; K23-D87 WeakPolarHBondContact CE-OD1 3.44Å; K23-D87 IonicContact NZ-OD1 4Å; K23-D87 PolarHBondContact NZ-OD1 3.23Å; K23-D87 IonicContact NZ-OD2 3.87Å; K23-D87 PolarHBondContact NZ-OD2 3.17Å; D83-D87 PolarHBondContact O-N 2.87Å; Q84-D87 PolarHBondContact O-N 3.44Å; D87-S91 WeakPolarHBondContact O-CB 3.36Å; D87-S91 PolarHBondContact O-N 3.12Å; D87-S91 PolarHBondContact O-OG 3.17Å
88Y94.4Very high93.3Very high29 Ų2944.5 Ų44.511%0.11426%0.264CS..Hα-helixtrans-64.3-45.8172169.3-109000113Q84 L85 L86 Y90 S91 G92 K93 V94 L116Q84-Y88 WeakPolarHBondContact O-CB 3.38Å; Q84-Y88 PolarHBondContact O-N 3.44Å; L85-Y88 CarbonylContact O-C 3.52Å; L85-Y88 WeakPolarHBondContact O-CB 3.43Å; L85-Y88 PolarHBondContact O-N 3.12Å; L86-Y88 PolarHBondContact O-N 2.91Å; Y88-Y90 PolarHBondContact O-N 3.25Å; Y88-S91 PolarHBondContact O-N 3.17Å; Y88-G92 VanDerWaalsContact O-CA 3.27Å; Y88-G92 WeakPolarHBondContact O-CA 3.49Å; Y88-G92 PolarHBondContact O-N 3.17Å; Y88-K93 WeakPolarHBondContact CA-O 3.27Å; Y88-V94 HydrophobicContact CD2-CB 3.97Å; Y88-V94 HydrophobicContact CD2-CG1 3.95Å; Y88-V94 HydrophobicContact CE2-CG1 4.38Å; Y88-V94 HydrophobicContact CG-CB 4.27Å; Y88-L116 HydrophobicContact CD1-CD2 4.26Å; Y88-L116 HydrophobicContact CE1-CB 4.04Å; Y88-L116 HydrophobicContact CE1-CD2 4.23Å
89F93.2Very high93.2Very high10 Ų1050.4 Ų50.44%0.04429%0.287CS..Hα-helixtrans-62.9-31.5-179.5-60.7-22.6000112.7L46 V49 L85 L86 F111 T113L46-F89 HydrophobicContact CG-CD2 4.19Å; V49-F89 HydrophobicContact CB-CD1 4.42Å; V49-F89 HydrophobicContact CG1-CB 4.36Å; V49-F89 HydrophobicContact CG1-CD1 3.56Å; V49-F89 HydrophobicContact CG1-CE1 4.16Å; V49-F89 HydrophobicContact CG1-CG 4.11Å; L85-F89 HydrophobicContact CB-CE2 4.29Å; L85-F89 HydrophobicContact CB-CZ 4.13Å; L85-F89 WeakPolarHBondContact O-CD1 3.42Å; L85-F89 WeakPolarHBondContact O-CD2 3.14Å; L85-F89 WeakPolarHBondContact O-CG 3.25Å; L85-F89 PolarHBondContact O-N 3.25Å; L86-F89 HydrophobicContact CD2-CD2 4.35Å; L86-F89 PolarHBondContact O-N 3.1Å; L86-F89 VanDerWaalsContact O-N 3.17Å; F89-F111 HydrophobicContact CE2-CB 4.4Å; F89-F111 HydrophobicContact CE2-CD1 4.11Å; F89-F111 HydrophobicContact CE2-CD2 4.12Å; F89-F111 HydrophobicContact CE2-CE1 4.44Å; F89-F111 HydrophobicContact CE2-CE2 4.45Å; F89-F111 AromaticContact CE2-CG 3.95Å; F89-F111 HydrophobicContact CE2-CG 3.95Å; F89-F111 HydrophobicContact CZ-CB 3.79Å; F89-F111 HydrophobicContact CZ-CD1 4.33Å; F89-F111 AromaticContact CZ-CD2 3.86Å; F89-F111 HydrophobicContact CZ-CD2 3.86Å; F89-F111 AromaticContact CZ-CG 3.73Å; F89-F111 HydrophobicContact CZ-CG 3.73Å; F89-T113 HydrophobicContact CE1-CG2 3.73Å; F89-T113 HydrophobicContact CZ-CG2 4.15Å
90Y93.6Very high93.3Very high1 Ų150.2 Ų50.20%0.00429%0.285CS..Hα-helixtrans-89.8-26.5179.3-79.1-103.7000114L18 N19 R22 H42 V45 L46 L86 Y88L18-Y90 HydrophobicContact CB-CD1 4.15Å; L18-Y90 HydrophobicContact CB-CE1 4.08Å; N19-Y90 HydrophobicContact CB-CD1 3.98Å; N19-Y90 HydrophobicContact CB-CG 4.22Å; R22-Y90 HydrophobicContact CB-CE1 4.22Å; H42-Y90 WeakPolarHBondContact CB-OH 3.37Å; H42-Y90 PolarHBondContact N-OH 3.22Å; H42-Y90 AromaticContact ND1-CE1 3.41Å; H42-Y90 WeakPolarHBondContact ND1-CE1 3.42Å; H42-Y90 AromaticContact ND1-CZ 3.53Å; H42-Y90 PolarHBondContact ND1-OH 2.96Å; V45-Y90 HydrophobicContact CB-CE1 4.05Å; V45-Y90 HydrophobicContact CB-CE2 4.15Å; V45-Y90 HydrophobicContact CG1-CD1 4.1Å; V45-Y90 HydrophobicContact CG1-CD2 3.92Å; V45-Y90 HydrophobicContact CG1-CE1 3.89Å; V45-Y90 HydrophobicContact CG1-CE2 3.68Å; V45-Y90 HydrophobicContact CG1-CG 4.13Å; V45-Y90 HydrophobicContact CG2-CD1 4.46Å; V45-Y90 HydrophobicContact CG2-CE1 3.77Å; L46-Y90 HydrophobicContact CD1-CE2 3.78Å; L86-Y90 VanDerWaalsContact O-CD2 3.23Å; L86-Y90 WeakPolarHBondContact O-CD2 3.26Å; L86-Y90 PolarHBondContact O-N 3.4Å; L86-Y90 VanDerWaalsContact O-N 3.13Å; Y88-Y90 PolarHBondContact O-N 3.25Å
91S91.8Very high93.4Very high56 Ų5648.1 Ų48.139%0.39226%0.263SS..Hα-helixtrans-111.4-18.5-174.2730000114.7D87 Y88 K93D87-S91 WeakPolarHBondContact O-CB 3.36Å; D87-S91 PolarHBondContact O-N 3.12Å; D87-S91 PolarHBondContact O-OG 3.17Å; Y88-S91 PolarHBondContact O-N 3.17Å; S91-K93 PolarHBondContact O-N 3.46Å; S91-K93 PolarHBondContact OG-N 3.24Å; S91-K93 VanDerWaalsContact OG-N 3.08Å; S91-K93 PolarHBondContact OG-O 3.41Å
92G89.9Confident93.5Very high57 Ų5749.8 Ų49.859%0.58827%0.27SS*.SBendtrans69.210.6-168.100000114.1Y88Y88-G92 VanDerWaalsContact O-CA 3.27Å; Y88-G92 WeakPolarHBondContact O-CA 3.49Å; Y88-G92 PolarHBondContact O-N 3.17Å
93K91.8Very high93.5Very high163 Ų16351.8 Ų51.871%0.70928%0.28SS*.  trans-119.4134.5-175.4-61.4-179.4-177.4-179.20111.1Y88 S91Y88-K93 WeakPolarHBondContact CA-O 3.27Å; S91-K93 PolarHBondContact O-N 3.46Å; S91-K93 PolarHBondContact OG-N 3.24Å; S91-K93 VanDerWaalsContact OG-N 3.08Å; S91-K93 PolarHBondContact OG-O 3.41Å
94V94.5Very high93.6Very high43 Ų4348.7 Ų48.726%0.26126%0.263SS..  trans-146.8145.317365.60000109.1Y88 I96 L104 L116Y88-V94 HydrophobicContact CD2-CB 3.97Å; Y88-V94 HydrophobicContact CD2-CG1 3.95Å; Y88-V94 HydrophobicContact CE2-CG1 4.38Å; Y88-V94 HydrophobicContact CG-CB 4.27Å; V94-I96 HydrophobicContact CG1-CG1 4.15Å; V94-L104 HydrophobicContact CG2-CD1 4.09Å; V94-L104 HydrophobicContact CG2-CD2 4.05Å; V94-L116 HydrophobicContact CG1-CD1 3.74Å
95V94.6Very high93.6Very high120 Ų12044.9 Ų44.973%0.72725%0.246SC*.  trans-97.9118.5173.4179.80000108.2N100V95-N100 PolarHBondContact O-ND2 2.8Å
96I95.3Very high93.6Very high36 Ų3647.2 Ų47.219%0.18525%0.254CS..  trans-99.1133.2178.2-50.3176.5000108.9V94 V101 L104 H119 F123V94-I96 HydrophobicContact CG1-CG1 4.15Å; I96-V101 HydrophobicContact CG2-CB 4.12Å; I96-V101 HydrophobicContact CG2-CG2 4.06Å; I96-L104 HydrophobicContact CB-CD1 4.47Å; I96-L104 HydrophobicContact CG1-CD1 4.09Å; I96-L104 HydrophobicContact CG2-CD1 4.36Å; I96-H119 HydrophobicContact CD1-CB 3.85Å; I96-F123 HydrophobicContact CB-CB 4.5Å; I96-F123 HydrophobicContact CB-CD2 4.27Å; I96-F123 HydrophobicContact CB-CG 4.26Å; I96-F123 HydrophobicContact CG2-CB 3.86Å; I96-F123 HydrophobicContact CG2-CD1 3.68Å; I96-F123 HydrophobicContact CG2-CD2 4Å; I96-F123 HydrophobicContact CG2-CE1 4.24Å; I96-F123 HydrophobicContact CG2-CG 3.55Å
97S93.9Very high93.6Very high39 Ų3947.1 Ų47.127%0.27325%0.254SS..  trans-143.1165.3-177.171.30000111Q99 N100 V101 F123S97-Q99 PolarHBondContact O-N 3.21Å; S97-Q99 VanDerWaalsContact O-N 3.12Å; S97-Q99 PolarHBondContact OG-N 2.94Å; S97-N100 WeakPolarHBondContact CA-OD1 3.37Å; S97-N100 PolarHBondContact N-OD1 2.92Å; S97-N100 PolarHBondContact O-N 2.84Å; S97-N100 PolarHBondContact O-OD1 3.35Å; S97-N100 VanDerWaalsContact O-OD1 3.07Å; S97-N100 VanDerWaalsContact OG-CG 3.28Å; S97-N100 PolarHBondContact OG-N 3.28Å; S97-N100 PolarHBondContact OG-OD1 3.27Å; S97-V101 VanDerWaalsContact O-CB 3.3Å; S97-V101 WeakPolarHBondContact O-CB 3.38Å; S97-V101 PolarHBondContact O-N 3.44Å; S97-F123 VanDerWaalsContact C-CZ 3.46Å
98E91.4Very high93.6Very high66 Ų6645.4 Ų45.431%0.30825%0.245SC..THydrogen-bonded Turntrans-64.7-16.8178.1-54.8-169.6-171.400113.6F123 R129 R135 Y136E98-F123 HydrophobicContact CG-CE1 4.28Å; E98-F123 HydrophobicContact CG-CZ 4.02Å; E98-R129 IonicContact OE1-NH1 3.67Å; E98-R129 PolarHBondContact OE1-NH1 3.41Å; E98-R135 PolarHBondContact O-NH1 3.02Å; E98-Y136 WeakPolarHBondContact CG-OH 3.41Å
99Q91.6Very high93.6Very high174 Ų17448.9 Ų48.981%0.81326%0.262SS*.THydrogen-bonded Turntrans-87.6-39.4-179.5-66.2173.3-0.500112S97S97-Q99 PolarHBondContact O-N 3.21Å; S97-Q99 VanDerWaalsContact O-N 3.12Å; S97-Q99 PolarHBondContact OG-N 2.94Å
100N93.9Very high93.5Very high22 Ų2251.3 Ų51.312%0.11827%0.271CS..THydrogen-bonded Turntrans-102.1-12.3-175.271.9-12.4000114.8Q84 V95 S97 E102 E103 L104Q84-N100 PolarHBondContact OE1-ND2 3.3Å; V95-N100 PolarHBondContact O-ND2 2.8Å; S97-N100 WeakPolarHBondContact CA-OD1 3.37Å; S97-N100 PolarHBondContact N-OD1 2.92Å; S97-N100 PolarHBondContact O-N 2.84Å; S97-N100 PolarHBondContact O-OD1 3.35Å; S97-N100 VanDerWaalsContact O-OD1 3.07Å; S97-N100 VanDerWaalsContact OG-CG 3.28Å; S97-N100 PolarHBondContact OG-N 3.28Å; S97-N100 PolarHBondContact OG-OD1 3.27Å; N100-E102 PolarHBondContact O-N 2.83Å; N100-E103 PolarHBondContact O-N 3.05Å; N100-E103 VanDerWaalsContact O-N 3.14Å; N100-L104 HydrophobicContact CB-CD1 4.46Å; N100-L104 HydrophobicContact CB-CG 4.48Å; N100-L104 WeakPolarHBondContact O-CG 3.3Å; N100-L104 PolarHBondContact O-N 2.84Å
101V95.3Very high93.4Very high0 Ų051.3 Ų51.30%027%0.272CS..Hα-helixtrans-56.5-35.8-175.264.80000113.6I96 S97 L105 C120 F123 L124I96-V101 HydrophobicContact CG2-CB 4.12Å; I96-V101 HydrophobicContact CG2-CG2 4.06Å; S97-V101 VanDerWaalsContact O-CB 3.3Å; S97-V101 WeakPolarHBondContact O-CB 3.38Å; S97-V101 PolarHBondContact O-N 3.44Å; V101-L105 HydrophobicContact CG2-CD1 4.27Å; V101-L105 WeakPolarHBondContact O-CB 3.41Å; V101-L105 VanDerWaalsContact O-CG 3.32Å; V101-L105 WeakPolarHBondContact O-CG 3.49Å; V101-L105 PolarHBondContact O-N 3.25Å; V101-C120 HydrophobicContact CG2-CB 4.1Å; V101-F123 HydrophobicContact CB-CD1 4.27Å; V101-F123 HydrophobicContact CB-CE1 4.33Å; V101-F123 HydrophobicContact CG1-CE1 4.47Å; V101-F123 HydrophobicContact CG2-CD1 4.04Å; V101-L124 HydrophobicContact CG1-CD2 3.89Å; V101-L124 HydrophobicContact CG2-CD1 4.32Å; V101-L124 HydrophobicContact CG2-CD2 3.87Å; V101-L124 HydrophobicContact CG2-CG 3.92Å
102E94.6Very high93.4Very high42 Ų4252.8 Ų52.820%0.19628%0.275CS..Hα-helixtrans-64.4-49.8177.3175.1171-179.100111.7N100 L105 R106 R135 L139N100-E102 PolarHBondContact O-N 2.83Å; E102-L105 WeakPolarHBondContact O-CB 3.2Å; E102-L105 PolarHBondContact O-N 3.23Å; E102-R106 PolarHBondContact O-N 3.2Å; E102-R106 IonicContact OE1-CZ 2.97Å; E102-R106 IonicContact OE1-NH2 2.93Å; E102-R106 PolarHBondContact OE1-NH2 3.43Å; E102-R135 IonicContact OE2-CZ 2.72Å; E102-R135 IonicContact OE2-NE 3.7Å; E102-R135 IonicContact OE2-NH2 3.88Å; E102-R135 PolarHBondContact OE2-NH2 3.34Å; E102-L139 HydrophobicContact CB-CD1 4.38Å; E102-L139 HydrophobicContact CB-CD2 3.8Å; E102-L139 HydrophobicContact CG-CD2 3.51Å
103E93.4Very high93.5Very high42 Ų4250.3 Ų50.320%0.19625%0.249CC..Hα-helixtrans-65.8-38.4177.4-64-63139.200111.7T81 N100 L105 R106 G107T81-E103 HydrophobicContact CG2-CB 3.86Å; T81-E103 VanDerWaalsContact OG1-CB 3.3Å; T81-E103 WeakPolarHBondContact OG1-CB 3.45Å; N100-E103 PolarHBondContact O-N 3.05Å; N100-E103 VanDerWaalsContact O-N 3.14Å; E103-L105 VanDerWaalsContact C-N 3.31Å; E103-L105 PolarHBondContact O-N 2.86Å; E103-R106 PolarHBondContact O-N 3.3Å; E103-R106 IonicContact OE1-CZ 2.7Å; E103-R106 IonicContact OE1-NH1 3.16Å; E103-R106 PolarHBondContact OE1-NH1 3.45Å; E103-R106 IonicContact OE2-NH1 3.56Å; E103-G107 PolarHBondContact O-N 3.44Å
104L95.6Very high93.4Very high0 Ų046.2 Ų46.20%024%0.239CC..Hα-helixtrans-64.4-35174.5-70.8177000112.1T81 L85 V94 I96 N100 G107 A108T81-L104 HydrophobicContact CG2-CD2 4.43Å; L85-L104 HydrophobicContact CD2-CD2 4.12Å; V94-L104 HydrophobicContact CG2-CD1 4.09Å; V94-L104 HydrophobicContact CG2-CD2 4.05Å; I96-L104 HydrophobicContact CB-CD1 4.47Å; I96-L104 HydrophobicContact CG1-CD1 4.09Å; I96-L104 HydrophobicContact CG2-CD1 4.36Å; N100-L104 HydrophobicContact CB-CD1 4.46Å; N100-L104 HydrophobicContact CB-CG 4.48Å; N100-L104 WeakPolarHBondContact O-CG 3.3Å; N100-L104 PolarHBondContact O-N 2.84Å; L104-G107 PolarHBondContact O-N 2.95Å; L104-A108 VanDerWaalsContact O-CB 3.27Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 2.85Å
105L95.6Very high93.3Very high1 Ų153.3 Ų53.31%0.00526%0.261CS..Hα-helixtrans-67.8-42.8173.6-80.1167.5000111.8V101 E102 E103 G107 A108 Q109 R117 C120 L124 F143 L145V101-L105 HydrophobicContact CG2-CD1 4.27Å; V101-L105 WeakPolarHBondContact O-CB 3.41Å; V101-L105 VanDerWaalsContact O-CG 3.32Å; V101-L105 WeakPolarHBondContact O-CG 3.49Å; V101-L105 PolarHBondContact O-N 3.25Å; E102-L105 WeakPolarHBondContact O-CB 3.2Å; E102-L105 PolarHBondContact O-N 3.23Å; E103-L105 VanDerWaalsContact C-N 3.31Å; E103-L105 PolarHBondContact O-N 2.86Å; L105-G107 VanDerWaalsContact C-N 3.29Å; L105-G107 PolarHBondContact O-N 3.14Å; L105-A108 PolarHBondContact O-N 3.21Å; L105-Q109 WeakPolarHBondContact O-CB 3.17Å; L105-Q109 PolarHBondContact O-N 3.42Å; L105-R117 HydrophobicContact CD2-CG 4.24Å; L105-C120 HydrophobicContact CD1-CB 4.46Å; L105-C120 HydrophobicContact CD2-CB 3.55Å; L105-C120 HydrophobicContact CG-CB 3.8Å; L105-L124 HydrophobicContact CD1-CD1 3.88Å; L105-F143 HydrophobicContact CB-CD1 4.01Å; L105-F143 HydrophobicContact CB-CD2 3.87Å; L105-F143 HydrophobicContact CB-CE1 3.84Å; L105-F143 HydrophobicContact CB-CE2 3.72Å; L105-F143 HydrophobicContact CB-CG 4.04Å; L105-F143 HydrophobicContact CB-CZ 3.71Å; L105-F143 HydrophobicContact CD1-CD2 3.71Å; L105-F143 HydrophobicContact CD1-CE2 4.03Å; L105-F143 HydrophobicContact CD1-CG 4.28Å; L105-F143 HydrophobicContact CG-CD2 4.35Å; L105-L145 HydrophobicContact CD1-CD1 3.92Å; L105-L145 HydrophobicContact CD2-CD1 4.17Å
106R94.7Very high93.3Very high49 Ų4947.6 Ų47.619%0.18523%0.226CC..Hα-helixtrans-58.5-44.5171.4-63.8-171.5-168.5142.36.9111Y76 L77 E102 E103 Q109 Y110 F143Y76-R106 HydrophobicContact CE1-CB 3.88Å; Y76-R106 WeakPolarHBondContact O-CD 3.21Å; L77-R106 HydrophobicContact CD2-CB 4.08Å; E102-R106 PolarHBondContact O-N 3.2Å; E102-R106 IonicContact OE1-CZ 2.97Å; E102-R106 IonicContact OE1-NH2 2.93Å; E102-R106 PolarHBondContact OE1-NH2 3.43Å; E103-R106 PolarHBondContact O-N 3.3Å; E103-R106 IonicContact OE1-CZ 2.7Å; E103-R106 IonicContact OE1-NH1 3.16Å; E103-R106 PolarHBondContact OE1-NH1 3.45Å; E103-R106 IonicContact OE2-NH1 3.56Å; R106-Q109 PolarHBondContact O-N 3.13Å; R106-Y110 WeakPolarHBondContact O-CB 3.33Å; R106-Y110 PolarHBondContact O-N 3.41Å; R106-F143 HydrophobicContact CB-CE1 4.47Å; R106-F143 HydrophobicContact CG-CE1 3.8Å; R106-F143 HydrophobicContact CG-CZ 3.52Å
107G93.8Very high93.2Very high0 Ų049.4 Ų49.40%023%0.231CC..Hα-helixtrans-62.5-44177.100000112.9E103 L104 L105 Q109 Y110 F111E103-G107 PolarHBondContact O-N 3.44Å; L104-G107 PolarHBondContact O-N 2.95Å; L105-G107 VanDerWaalsContact C-N 3.29Å; L105-G107 PolarHBondContact O-N 3.14Å; G107-Q109 VanDerWaalsContact C-N 3.3Å; G107-Q109 PolarHBondContact O-N 2.95Å; G107-Y110 PolarHBondContact O-N 3.23Å; G107-F111 WeakPolarHBondContact O-CD2 3.31Å; G107-F111 PolarHBondContact O-N 3.03Å
108A93.8Very high93.3Very high3 Ų352.2 Ų52.23%0.02524%0.241CC..Hα-helixtrans-62.7-38.4176.600000112.1L104 L105 N112 T113 L116 R117L104-A108 VanDerWaalsContact O-CB 3.27Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 2.85Å; L105-A108 PolarHBondContact O-N 3.21Å; A108-N112 CarbonylContact O-C 3.38Å; A108-N112 VanDerWaalsContact O-CA 3.26Å; A108-N112 WeakPolarHBondContact O-CA 3.38Å; A108-N112 PolarHBondContact O-N 2.89Å; A108-T113 WeakPolarHBondContact CA-OG1 3.48Å; A108-T113 PolarHBondContact O-N 2.99Å; A108-L116 HydrophobicContact CB-CB 4.17Å; A108-L116 HydrophobicContact CB-CD2 4.06Å; A108-L116 HydrophobicContact CB-CG 4.07Å; A108-R117 HydrophobicContact CB-CB 4.17Å
109Q92.9Very high93.4Very high102 Ų10254 Ų5448%0.47725%0.25SC..Hα-helixtrans-69.3-46.8174.6-178.6167.3-20.400111.7L105 R106 G107 N112L105-Q109 WeakPolarHBondContact O-CB 3.17Å; L105-Q109 PolarHBondContact O-N 3.42Å; R106-Q109 PolarHBondContact O-N 3.13Å; G107-Q109 VanDerWaalsContact C-N 3.3Å; G107-Q109 PolarHBondContact O-N 2.95Å; Q109-N112 PolarHBondContact O-N 3.35Å
110Y91.8Very high93.6Very high61 Ų6145.7 Ų45.724%0.23921%0.211CC..Hα-helixtrans-57.7-56.2178.2-172-92.1000111.5L52 I70 I72 Y76 L77 R106 G107 N112L52-Y110 HydrophobicContact CD2-CD1 4.47Å; L52-Y110 HydrophobicContact CD2-CE1 4.35Å; L52-Y110 WeakPolarHBondContact CD2-O 3.3Å; I70-Y110 WeakPolarHBondContact CG2-OH 3.32Å; I72-Y110 HydrophobicContact CD1-CE1 4.11Å; I72-Y110 HydrophobicContact CG1-CE1 4.15Å; I72-Y110 HydrophobicContact CG2-CE2 4.37Å; Y76-Y110 HydrophobicContact CD1-CD2 4.14Å; Y76-Y110 HydrophobicContact CE1-CD2 4.05Å; Y76-Y110 HydrophobicContact CE1-CG 4.42Å; L77-Y110 HydrophobicContact CD1-CD1 4.33Å; L77-Y110 HydrophobicContact CD1-CG 4.07Å; R106-Y110 WeakPolarHBondContact O-CB 3.33Å; R106-Y110 PolarHBondContact O-N 3.41Å; G107-Y110 PolarHBondContact O-N 3.23Å; Y110-N112 PolarHBondContact O-N 2.91Å
111F90.7Very high93.7Very high2 Ų245.7 Ų45.71%0.00921%0.211CC..THydrogen-bonded Turntrans-80.91.8-178.6-67.4-74.2000113.6L32 S50 V53 I72 L77 L85 F89 G107 T113L32-F111 HydrophobicContact CD2-CE1 4.11Å; L32-F111 HydrophobicContact CD2-CZ 4.13Å; S50-F111 WeakPolarHBondContact CB-O 3.49Å; S50-F111 PolarHBondContact OG-O 3.28Å; V53-F111 HydrophobicContact CG2-CD1 4.31Å; I72-F111 HydrophobicContact CD1-CZ 4.08Å; L77-F111 HydrophobicContact CD1-CE2 4.4Å; L85-F111 HydrophobicContact CD1-CD2 3.98Å; L85-F111 HydrophobicContact CD1-CE2 3.85Å; F89-F111 HydrophobicContact CE2-CB 4.4Å; F89-F111 HydrophobicContact CE2-CD1 4.11Å; F89-F111 HydrophobicContact CE2-CD2 4.12Å; F89-F111 HydrophobicContact CE2-CE1 4.44Å; F89-F111 HydrophobicContact CE2-CE2 4.45Å; F89-F111 AromaticContact CE2-CG 3.95Å; F89-F111 HydrophobicContact CE2-CG 3.95Å; F89-F111 HydrophobicContact CZ-CB 3.79Å; F89-F111 HydrophobicContact CZ-CD1 4.33Å; F89-F111 AromaticContact CZ-CD2 3.86Å; F89-F111 HydrophobicContact CZ-CD2 3.86Å; F89-F111 AromaticContact CZ-CG 3.73Å; F89-F111 HydrophobicContact CZ-CG 3.73Å; G107-F111 WeakPolarHBondContact O-CD2 3.31Å; G107-F111 PolarHBondContact O-N 3.03Å; F111-T113 HydrophobicContact CB-CG2 4.05Å
112N91.8Very high93.6Very high87 Ų8748.5 Ų48.547%0.46523%0.226SC..THydrogen-bonded Turntrans49.856.6-175.4-168.411.4000112.9P51 A108 Q109 Y110 P114P51-N112 WeakPolarHBondContact CD-O 3.46Å; A108-N112 CarbonylContact O-C 3.38Å; A108-N112 VanDerWaalsContact O-CA 3.26Å; A108-N112 WeakPolarHBondContact O-CA 3.38Å; A108-N112 PolarHBondContact O-N 2.89Å; Q109-N112 PolarHBondContact O-N 3.35Å; Y110-N112 PolarHBondContact O-N 2.91Å; N112-P114 WeakPolarHBondContact O-CD 3.32Å
113T91.8Very high93.6Very high5 Ų549 Ų493%0.03123%0.227CC..  trans-10687.9-179.857.40000111.5V49 F89 A108 F111 R115 L116 R117V49-T113 HydrophobicContact CG1-CG2 4.4Å; F89-T113 HydrophobicContact CE1-CG2 3.73Å; F89-T113 HydrophobicContact CZ-CG2 4.15Å; A108-T113 WeakPolarHBondContact CA-OG1 3.48Å; A108-T113 PolarHBondContact O-N 2.99Å; F111-T113 HydrophobicContact CB-CG2 4.05Å; T113-R115 VanDerWaalsContact C-N 3.29Å; T113-R115 PolarHBondContact O-N 2.89Å; T113-L116 PolarHBondContact O-N 2.93Å; T113-L116 VanDerWaalsContact O-N 3.17Å; T113-R117 PolarHBondContact O-N 3.38Å
114P91Very high93.7Very high77 Ų7747 Ų4750%0.522%0.218SC..Hα-helixtrans-63.7-33.3-172.223.8-34.3000112.9N112 L116 R117 I118N112-P114 WeakPolarHBondContact O-CD 3.32Å; P114-L116 PolarHBondContact O-N 3.06Å; P114-R117 WeakPolarHBondContact O-CB 3.43Å; P114-R117 PolarHBondContact O-N 2.89Å; P114-I118 WeakPolarHBondContact O-CG1 3.45Å; P114-I118 PolarHBondContact O-N 2.76Å
115R92.6Very high93.5Very high192 Ų19249.3 Ų49.373%0.72523%0.23SC*.Hα-helixtrans-61.8-42.1177.1-68.4-173.7178.2175.60112.4T113 I118 H119T113-R115 VanDerWaalsContact C-N 3.29Å; T113-R115 PolarHBondContact O-N 2.89Å; R115-I118 PolarHBondContact O-N 3.45Å; R115-H119 PolarHBondContact O-CD2 3.14Å; R115-H119 PolarHBondContact O-N 2.88Å
116L94Very high93.3Very high0 Ų056 Ų560%026%0.259CS..Hα-helixtrans-66.5-42.8177.5-179.558.4000110.4L85 Y88 V94 A108 T113 P114 I118 H119 C120L85-L116 HydrophobicContact CD2-CD2 3.42Å; L85-L116 VanDerWaalsContact CD2-CD2 3.42Å; Y88-L116 HydrophobicContact CD1-CD2 4.26Å; Y88-L116 HydrophobicContact CE1-CB 4.04Å; Y88-L116 HydrophobicContact CE1-CD2 4.23Å; V94-L116 HydrophobicContact CG1-CD1 3.74Å; A108-L116 HydrophobicContact CB-CB 4.17Å; A108-L116 HydrophobicContact CB-CD2 4.06Å; A108-L116 HydrophobicContact CB-CG 4.07Å; T113-L116 PolarHBondContact O-N 2.93Å; T113-L116 VanDerWaalsContact O-N 3.17Å; P114-L116 PolarHBondContact O-N 3.06Å; L116-I118 VanDerWaalsContact C-N 3.34Å; L116-I118 PolarHBondContact O-N 3.46Å; L116-H119 PolarHBondContact O-N 3.37Å; L116-C120 PolarHBondContact O-N 2.69Å; L116-C120 PolarHBondContact O-SG 3.46Å; L116-C120 VanDerWaalsContact O-SG 3.38Å
117R94.2Very high93Very high74 Ų7453.9 Ų53.928%0.27925%0.252SS..Hα-helixtrans-57.9-42.8175.4-178.3176.7165.5110.9-2.9112.4L105 A108 T113 P114 C120 N121 F143 E144 L145L105-R117 HydrophobicContact CD2-CG 4.24Å; A108-R117 HydrophobicContact CB-CB 4.17Å; T113-R117 PolarHBondContact O-N 3.38Å; P114-R117 WeakPolarHBondContact O-CB 3.43Å; P114-R117 PolarHBondContact O-N 2.89Å; R117-C120 PolarHBondContact O-N 3.38Å; R117-N121 WeakPolarHBondContact O-CB 3.45Å; R117-N121 PolarHBondContact O-N 3.23Å; R117-F143 PolarHBondContact NH1-O 2.76Å; R117-F143 PolarHBondContact NH2-O 3.07Å; R117-E144 PolarHBondContact NH2-O 3.05Å; R117-L145 HydrophobicContact CG-CD2 4.41Å
118I94.2Very high92.8Very high97 Ų9756 Ų5650%0.49726%0.262SS..Hα-helixtrans-60.7-47.5175.7-68.2164000110.7P114 R115 L116 C120 N121 D122P114-I118 WeakPolarHBondContact O-CG1 3.45Å; P114-I118 PolarHBondContact O-N 2.76Å; R115-I118 PolarHBondContact O-N 3.45Å; L116-I118 VanDerWaalsContact C-N 3.34Å; L116-I118 PolarHBondContact O-N 3.46Å; I118-C120 VanDerWaalsContact C-N 3.34Å; I118-C120 PolarHBondContact O-N 3.32Å; I118-N121 WeakPolarHBondContact O-CB 3.49Å; I118-N121 PolarHBondContact O-N 3.12Å; I118-N121 VanDerWaalsContact O-N 3.13Å; I118-D122 PolarHBondContact O-N 3.01Å
119H94.7Very high92.4Very high104 Ų10461.9 Ų61.948%0.48128%0.284SS..Hα-helixtrans-66.1-34.4178.6-71.3-54000113.3I96 R115 L116 F123I96-H119 HydrophobicContact CD1-CB 3.85Å; R115-H119 PolarHBondContact O-CD2 3.14Å; R115-H119 PolarHBondContact O-N 2.88Å; L116-H119 PolarHBondContact O-N 3.37Å; H119-F123 WeakPolarHBondContact O-CB 3.23Å; H119-F123 PolarHBondContact O-N 3.17Å
120C96Very high92Very high0 Ų062.4 Ų62.40%028%0.282CS..Hα-helixtrans-64.3-42.3170.6-69.70000111.5V101 L105 L116 R117 I118 F123 L124V101-C120 HydrophobicContact CG2-CB 4.1Å; L105-C120 HydrophobicContact CD1-CB 4.46Å; L105-C120 HydrophobicContact CD2-CB 3.55Å; L105-C120 HydrophobicContact CG-CB 3.8Å; L116-C120 PolarHBondContact O-N 2.69Å; L116-C120 PolarHBondContact O-SG 3.46Å; L116-C120 VanDerWaalsContact O-SG 3.38Å; R117-C120 PolarHBondContact O-N 3.38Å; I118-C120 VanDerWaalsContact C-N 3.34Å; I118-C120 PolarHBondContact O-N 3.32Å; C120-F123 PolarHBondContact O-N 2.99Å; C120-L124 VanDerWaalsContact O-CG 3.32Å; C120-L124 WeakPolarHBondContact O-CG 3.48Å; C120-L124 PolarHBondContact O-N 2.96Å
121N95Very high91.7Very high22 Ų2263.4 Ų63.412%0.11830%0.303CS..Hα-helixtrans-59.3-50.4175-175.474000111.3R117 I118 F123 L124 I125 E147 V148R117-N121 WeakPolarHBondContact O-CB 3.45Å; R117-N121 PolarHBondContact O-N 3.23Å; I118-N121 WeakPolarHBondContact O-CB 3.49Å; I118-N121 PolarHBondContact O-N 3.12Å; I118-N121 VanDerWaalsContact O-N 3.13Å; N121-F123 VanDerWaalsContact C-N 3.3Å; N121-F123 PolarHBondContact O-N 3.35Å; N121-L124 PolarHBondContact O-N 3.45Å; N121-I125 WeakPolarHBondContact ND2-CD1 3.29Å; N121-I125 WeakPolarHBondContact O-CG1 3.35Å; N121-I125 PolarHBondContact O-N 3.35Å; N121-E147 PolarHBondContact ND2-OE2 2.66Å; N121-V148 VanDerWaalsContact OD1-CG2 3.23Å; N121-V148 WeakPolarHBondContact OD1-CG2 3.44Å
122D94.2Very high91.6Very high59 Ų5964 Ų6432%0.31631%0.306SS..Hα-helixtrans-60-40.1178-70.3-12.3000112.4I118 K126I118-D122 PolarHBondContact O-N 3.01Å; D122-K126 WeakPolarHBondContact O-CB 3.47Å; D122-K126 VanDerWaalsContact O-CG 3.29Å; D122-K126 WeakPolarHBondContact O-CG 3.4Å; D122-K126 PolarHBondContact O-N 3.17Å; D122-K126 VanDerWaalsContact O-N 3.11Å
123F94.5Very high91.5Very high51 Ų5160 Ų6022%0.22428%0.284CS..Hα-helixtrans-60.8-50.9175.5173.7-93.6000110.5I96 S97 E98 V101 H119 C120 N121 I125 K126 S127I96-F123 HydrophobicContact CB-CB 4.5Å; I96-F123 HydrophobicContact CB-CD2 4.27Å; I96-F123 HydrophobicContact CB-CG 4.26Å; I96-F123 HydrophobicContact CG2-CB 3.86Å; I96-F123 HydrophobicContact CG2-CD1 3.68Å; I96-F123 HydrophobicContact CG2-CD2 4Å; I96-F123 HydrophobicContact CG2-CE1 4.24Å; I96-F123 HydrophobicContact CG2-CG 3.55Å; S97-F123 VanDerWaalsContact C-CZ 3.46Å; E98-F123 HydrophobicContact CG-CE1 4.28Å; E98-F123 HydrophobicContact CG-CZ 4.02Å; V101-F123 HydrophobicContact CB-CD1 4.27Å; V101-F123 HydrophobicContact CB-CE1 4.33Å; V101-F123 HydrophobicContact CG1-CE1 4.47Å; V101-F123 HydrophobicContact CG2-CD1 4.04Å; H119-F123 WeakPolarHBondContact O-CB 3.23Å; H119-F123 PolarHBondContact O-N 3.17Å; C120-F123 PolarHBondContact O-N 2.99Å; N121-F123 VanDerWaalsContact C-N 3.3Å; N121-F123 PolarHBondContact O-N 3.35Å; F123-I125 PolarHBondContact O-N 3.48Å; F123-K126 PolarHBondContact O-N 3.43Å; F123-S127 WeakPolarHBondContact O-CB 3.38Å; F123-S127 PolarHBondContact O-N 3.37Å; F123-S127 PolarHBondContact O-OG 3.11Å
124L94.9Very high91.5Very high0 Ų060 Ų600%028%0.284CS..Hα-helixtrans-57.7-48.4179.7-71.1174000111.2V101 L105 C120 N121 K126 S127 I128 Y136 L145 V148V101-L124 HydrophobicContact CG1-CD2 3.89Å; V101-L124 HydrophobicContact CG2-CD1 4.32Å; V101-L124 HydrophobicContact CG2-CD2 3.87Å; V101-L124 HydrophobicContact CG2-CG 3.92Å; L105-L124 HydrophobicContact CD1-CD1 3.88Å; C120-L124 VanDerWaalsContact O-CG 3.32Å; C120-L124 WeakPolarHBondContact O-CG 3.48Å; C120-L124 PolarHBondContact O-N 2.96Å; N121-L124 PolarHBondContact O-N 3.45Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 2.93Å; L124-S127 PolarHBondContact O-N 2.92Å; L124-S127 VanDerWaalsContact O-N 3.14Å; L124-S127 PolarHBondContact O-OG 3.02Å; L124-I128 WeakPolarHBondContact O-CG1 3.3Å; L124-I128 PolarHBondContact O-N 2.73Å; L124-Y136 HydrophobicContact CB-CD2 4.3Å; L124-Y136 HydrophobicContact CB-CE2 4.31Å; L124-Y136 HydrophobicContact CD2-CD1 3.85Å; L124-Y136 HydrophobicContact CD2-CD2 3.8Å; L124-Y136 HydrophobicContact CD2-CE1 3.62Å; L124-Y136 HydrophobicContact CD2-CE2 3.59Å; L124-Y136 HydrophobicContact CD2-CG 3.94Å; L124-Y136 VanDerWaalsContact CD2-CZ 3.49Å; L124-Y136 WeakPolarHBondContact O-CE2 3.47Å; L124-L145 HydrophobicContact CD1-CD1 3.76Å; L124-V148 HydrophobicContact CB-CG1 4.05Å; L124-V148 HydrophobicContact CB-CG2 3.86Å; L124-V148 HydrophobicContact CD1-CG1 4.32Å; L124-V148 HydrophobicContact CD1-CG2 4.36Å
125I92.6Very high91.5Very high50 Ų5061.2 Ų61.226%0.25628%0.279SS..Hα-helixtrans-54.8-47.8177.6-68.7174000110.8N121 F123 S127 E147 V148 L151N121-I125 WeakPolarHBondContact ND2-CD1 3.29Å; N121-I125 WeakPolarHBondContact O-CG1 3.35Å; N121-I125 PolarHBondContact O-N 3.35Å; F123-I125 PolarHBondContact O-N 3.48Å; I125-S127 VanDerWaalsContact C-N 3.31Å; I125-S127 PolarHBondContact O-N 2.93Å; I125-E147 HydrophobicContact CD1-CB 4.06Å; I125-E147 WeakPolarHBondContact CD1-OE2 3.32Å; I125-V148 HydrophobicContact CD1-CG2 4.44Å; I125-V148 HydrophobicContact CG1-CG2 3.74Å; I125-L151 HydrophobicContact CB-CD1 4.43Å; I125-L151 HydrophobicContact CG1-CD1 4.14Å; I125-L151 HydrophobicContact CG2-CD1 3.79Å
126K89.4Confident91.6Very high142 Ų14252.1 Ų52.162%0.61725%0.245SC*.Hα-helixtrans-74.1-18.9-178.1-68.7172-176.5172.70113.9D122 F123 L124 R399D122-K126 WeakPolarHBondContact O-CB 3.47Å; D122-K126 VanDerWaalsContact O-CG 3.29Å; D122-K126 WeakPolarHBondContact O-CG 3.4Å; D122-K126 PolarHBondContact O-N 3.17Å; D122-K126 VanDerWaalsContact O-N 3.11Å; F123-K126 PolarHBondContact O-N 3.43Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 2.93Å; K126-R399 PolarHBondContact O-NE 2.87Å
127S90.1Very high91.6Very high4 Ų452.2 Ų52.23%0.02825%0.245CC..Hα-helixtrans-103-0.8-178.764.70000114.4F123 L124 I125 R129 N132 Y136F123-S127 WeakPolarHBondContact O-CB 3.38Å; F123-S127 PolarHBondContact O-N 3.37Å; F123-S127 PolarHBondContact O-OG 3.11Å; L124-S127 PolarHBondContact O-N 2.92Å; L124-S127 VanDerWaalsContact O-N 3.14Å; L124-S127 PolarHBondContact O-OG 3.02Å; I125-S127 VanDerWaalsContact C-N 3.31Å; I125-S127 PolarHBondContact O-N 2.93Å; S127-R129 PolarHBondContact O-N 2.92Å; S127-N132 PolarHBondContact O-ND2 2.98Å; S127-Y136 WeakPolarHBondContact OG-CE2 3.31Å; S127-Y136 PolarHBondContact OG-OH 2.82Å
128I89.3Confident91.4Very high44 Ų4451.9 Ų51.923%0.22625%0.246CC..  trans-55.9129.3173.1-74.5165.3000110.2L124 C133 Y136 L151 A152L124-I128 WeakPolarHBondContact O-CG1 3.3Å; L124-I128 PolarHBondContact O-N 2.73Å; I128-C133 HydrophobicContact CG2-CB 4.35Å; I128-Y136 HydrophobicContact CG1-CD2 3.68Å; I128-Y136 HydrophobicContact CG1-CE2 4.29Å; I128-L151 HydrophobicContact CD1-CB 3.6Å; I128-L151 HydrophobicContact CD1-CD1 4.42Å; I128-A152 HydrophobicContact CD1-CB 4.5Å
129R85.6Confident91.4Very high126 Ų12647.5 Ų47.548%0.47522%0.223SC..  trans-143.1162.7178.1-67.9169.4174.6164.3-10108.6E98 S127 A131 N132 C133 R399E98-R129 IonicContact OE1-NH1 3.67Å; E98-R129 PolarHBondContact OE1-NH1 3.41Å; S127-R129 PolarHBondContact O-N 2.92Å; R129-A131 PolarHBondContact O-N 3.24Å; R129-A131 VanDerWaalsContact O-N 3.08Å; R129-N132 PolarHBondContact N-OD1 3.37Å; R129-N132 PolarHBondContact O-N 3.35Å; R129-N132 PolarHBondContact O-OD1 2.86Å; R129-C133 PolarHBondContact O-N 2.92Å; R129-C133 VanDerWaalsContact O-N 3.1Å; R129-R399 VanDerWaalsContact CZ-NH2 3.3Å
130R84.3Confident91.4Very high114 Ų11442.6 Ų42.643%0.4320%0.201SC..THydrogen-bonded Turntrans-50.7-36.6176-175.2-174.3-68.2161.2-0.5113.1C133 N159 F162 W163R130-C133 PolarHBondContact O-SG 3.27Å; R130-N159 HydrophobicContact CG-CB 4.19Å; R130-N159 PolarHBondContact NE-OD1 2.97Å; R130-N159 PolarHBondContact NH2-OD1 3.17Å; R130-F162 HydrophobicContact CG-CD1 3.83Å; R130-F162 HydrophobicContact CG-CE1 4.15Å; R130-F162 HydrophobicContact CG-CG 4.31Å; R130-W163 WeakPolarHBondContact O-CZ2 3.17Å
131A84.1Confident91.2Very high82 Ų8247.3 Ų47.368%0.67822%0.223SC*.THydrogen-bonded Turntrans-81-26.6-175.500000114.7R129R129-A131 PolarHBondContact O-N 3.24Å; R129-A131 VanDerWaalsContact O-N 3.08Å
132N88.9Confident91Very high15 Ų1551.3 Ų51.38%0.0824%0.244CC..THydrogen-bonded Turntrans-109.8-7.9-172.767.910.5000113.8S127 R129 L134 R135 Y136S127-N132 PolarHBondContact O-ND2 2.98Å; R129-N132 PolarHBondContact N-OD1 3.37Å; R129-N132 PolarHBondContact O-N 3.35Å; R129-N132 PolarHBondContact O-OD1 2.86Å; N132-L134 VanDerWaalsContact C-N 3.28Å; N132-L134 PolarHBondContact O-N 2.95Å; N132-R135 PolarHBondContact O-N 3.28Å; N132-Y136 HydrophobicContact CB-CE1 4.38Å; N132-Y136 PolarHBondContact O-N 3.2Å
133C91.3Very high90.9Very high1 Ų148.7 Ų48.71%0.00723%0.229CC..Hα-helixtrans-58.7-36.4-175.9590000113I128 R129 R130 Y136 L137 I156 W163I128-C133 HydrophobicContact CG2-CB 4.35Å; R129-C133 PolarHBondContact O-N 2.92Å; R129-C133 VanDerWaalsContact O-N 3.1Å; R130-C133 PolarHBondContact O-SG 3.27Å; C133-Y136 PolarHBondContact O-N 3.42Å; C133-L137 WeakPolarHBondContact O-CB 3.32Å; C133-L137 PolarHBondContact O-N 2.95Å; C133-I156 HydrophobicContact CB-CG1 4.12Å; C133-I156 WeakPolarHBondContact SG-CG1 2.91Å; C133-W163 WeakPolarHBondContact SG-CZ2 3.5Å
134L91.5Very high90.9Very high7 Ų754 Ų544%0.03726%0.255CS..Hα-helixtrans-62.6-44.4174.8-174.465.2000112.7N132 Y136 L137 F138 I156 W163 H171 F172N132-L134 VanDerWaalsContact C-N 3.28Å; N132-L134 PolarHBondContact O-N 2.95Å; L134-Y136 VanDerWaalsContact C-N 3.35Å; L134-L137 PolarHBondContact O-N 3.49Å; L134-F138 HydrophobicContact CD1-CE1 3.76Å; L134-F138 HydrophobicContact CD1-CE2 4.42Å; L134-F138 HydrophobicContact CD1-CZ 3.57Å; L134-F138 HydrophobicContact CD2-CZ 4.21Å; L134-F138 HydrophobicContact CG-CE1 4.24Å; L134-F138 HydrophobicContact CG-CE2 4.04Å; L134-F138 HydrophobicContact CG-CZ 3.67Å; L134-F138 WeakPolarHBondContact O-CG 3.2Å; L134-F138 PolarHBondContact O-N 3.21Å; L134-I156 HydrophobicContact CB-CD1 4.3Å; L134-I156 HydrophobicContact CD1-CD1 3.92Å; L134-W163 HydrophobicContact CB-CH2 3.72Å; L134-W163 HydrophobicContact CB-CZ2 3.97Å; L134-W163 HydrophobicContact CB-CZ3 4.23Å; L134-W163 HydrophobicContact CD2-CH2 4.49Å; L134-W163 HydrophobicContact CD2-CZ3 4.17Å; L134-H171 HydrophobicContact CD2-CB 4.33Å; L134-H171 WeakPolarHBondContact CD2-O 3.47Å; L134-F172 HydrophobicContact CD2-CD2 4.4Å
135R90.8Very high90.9Very high102 Ų10254.4 Ų54.439%0.38526%0.257SS..Hα-helixtrans-63.7-43.9176.9-177.5-179.9179.8-155.7-4110.6E98 E102 N132 L137 F138 L139E98-R135 PolarHBondContact O-NH1 3.02Å; E102-R135 IonicContact OE2-CZ 2.72Å; E102-R135 IonicContact OE2-NE 3.7Å; E102-R135 IonicContact OE2-NH2 3.88Å; E102-R135 PolarHBondContact OE2-NH2 3.34Å; N132-R135 PolarHBondContact O-N 3.28Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-L137 PolarHBondContact O-N 3.25Å; R135-F138 PolarHBondContact O-N 3.25Å; R135-L139 HydrophobicContact CG-CD1 4.49Å; R135-L139 WeakPolarHBondContact O-CG 3.44Å; R135-L139 PolarHBondContact O-N 2.79Å
136Y93.9Very high91Very high1 Ų159.8 Ų59.80%0.00428%0.278CS..Hα-helixtrans-68.5-32.1-179.2-7611.9000112.4E98 L124 S127 I128 N132 C133 L134 F138 L139 A140E98-Y136 WeakPolarHBondContact CG-OH 3.41Å; L124-Y136 HydrophobicContact CB-CD2 4.3Å; L124-Y136 HydrophobicContact CB-CE2 4.31Å; L124-Y136 HydrophobicContact CD2-CD1 3.85Å; L124-Y136 HydrophobicContact CD2-CD2 3.8Å; L124-Y136 HydrophobicContact CD2-CE1 3.62Å; L124-Y136 HydrophobicContact CD2-CE2 3.59Å; L124-Y136 HydrophobicContact CD2-CG 3.94Å; L124-Y136 VanDerWaalsContact CD2-CZ 3.49Å; L124-Y136 WeakPolarHBondContact O-CE2 3.47Å; S127-Y136 WeakPolarHBondContact OG-CE2 3.31Å; S127-Y136 PolarHBondContact OG-OH 2.82Å; I128-Y136 HydrophobicContact CG1-CD2 3.68Å; I128-Y136 HydrophobicContact CG1-CE2 4.29Å; N132-Y136 HydrophobicContact CB-CE1 4.38Å; N132-Y136 PolarHBondContact O-N 3.2Å; C133-Y136 PolarHBondContact O-N 3.42Å; L134-Y136 VanDerWaalsContact C-N 3.35Å; Y136-F138 VanDerWaalsContact C-N 3.33Å; Y136-L139 HydrophobicContact CD1-CD1 4.15Å; Y136-L139 PolarHBondContact O-N 3.45Å; Y136-A140 WeakPolarHBondContact O-CB 3.35Å; Y136-A140 PolarHBondContact O-N 2.91Å
137L93.9Very high91.2Very high1 Ų158.7 Ų58.71%0.00528%0.276CS..Hα-helixtrans-60.6-44.5170.8-177.559.9000110.7C133 L134 R135 L139 A140 E141 S149 A152 Y153 I156 I179C133-L137 WeakPolarHBondContact O-CB 3.32Å; C133-L137 PolarHBondContact O-N 2.95Å; L134-L137 PolarHBondContact O-N 3.49Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-L137 PolarHBondContact O-N 3.25Å; L137-L139 PolarHBondContact O-N 3.07Å; L137-A140 PolarHBondContact O-N 3.31Å; L137-E141 HydrophobicContact CD1-CG 4.35Å; L137-E141 WeakPolarHBondContact O-CG 3.47Å; L137-E141 PolarHBondContact O-N 2.84Å; L137-S149 WeakPolarHBondContact CD1-OG 3.48Å; L137-A152 HydrophobicContact CB-CB 3.9Å; L137-A152 HydrophobicContact CD1-CB 4.43Å; L137-Y153 HydrophobicContact CD2-CD2 4.43Å; L137-I156 HydrophobicContact CB-CD1 4.05Å; L137-I156 HydrophobicContact CD2-CD1 3.5Å; L137-I156 HydrophobicContact CG-CD1 4.42Å; L137-I179 HydrophobicContact CD2-CD1 4.03Å; L137-I179 HydrophobicContact CD2-CG1 4.43Å; L137-I179 HydrophobicContact CD2-CG2 3.62Å; L137-I179 HydrophobicContact CG-CD1 4.17Å
138F91.3Very high91.5Very high67 Ų6758.5 Ų58.529%0.29427%0.274SS..Hα-helixtrans-63.7-41.7177-58.8-20000112.6L134 R135 Y136 A140 L142 P176 I179L134-F138 HydrophobicContact CD1-CE1 3.76Å; L134-F138 HydrophobicContact CD1-CE2 4.42Å; L134-F138 HydrophobicContact CD1-CZ 3.57Å; L134-F138 HydrophobicContact CD2-CZ 4.21Å; L134-F138 HydrophobicContact CG-CE1 4.24Å; L134-F138 HydrophobicContact CG-CE2 4.04Å; L134-F138 HydrophobicContact CG-CZ 3.67Å; L134-F138 WeakPolarHBondContact O-CG 3.2Å; L134-F138 PolarHBondContact O-N 3.21Å; R135-F138 PolarHBondContact O-N 3.25Å; Y136-F138 VanDerWaalsContact C-N 3.33Å; F138-A140 VanDerWaalsContact C-N 3.33Å; F138-L142 VanDerWaalsContact O-CB 3.32Å; F138-L142 WeakPolarHBondContact O-CB 3.15Å; F138-L142 PolarHBondContact O-N 3.14Å; F138-P176 HydrophobicContact CE1-CG 4.13Å; F138-I179 HydrophobicContact CD1-CD1 3.8Å; F138-I179 HydrophobicContact CE1-CD1 3.75Å
139L92.6Very high91.8Very high6 Ų656.8 Ų56.83%0.03127%0.266CS..Hα-helixtrans-63-42.6174.5-65.5176.3000111.2E102 R135 Y136 L137 E141 L142 F143E102-L139 HydrophobicContact CB-CD1 4.38Å; E102-L139 HydrophobicContact CB-CD2 3.8Å; E102-L139 HydrophobicContact CG-CD2 3.51Å; R135-L139 HydrophobicContact CG-CD1 4.49Å; R135-L139 WeakPolarHBondContact O-CG 3.44Å; R135-L139 PolarHBondContact O-N 2.79Å; Y136-L139 HydrophobicContact CD1-CD1 4.15Å; Y136-L139 PolarHBondContact O-N 3.45Å; L137-L139 PolarHBondContact O-N 3.07Å; L139-E141 PolarHBondContact O-N 2.8Å; L139-L142 PolarHBondContact O-N 3.34Å; L139-F143 HydrophobicContact CB-CD2 4.43Å; L139-F143 HydrophobicContact CD2-CE2 4.05Å; L139-F143 WeakPolarHBondContact O-CD2 3.47Å; L139-F143 PolarHBondContact O-N 3.35Å
140A94.8Very high92.2Very high1 Ų154.2 Ų54.21%0.00826%0.262CS..Hα-helixtrans-65-40.1-179.100000112.4Y136 L137 F138 E144 L145 V148Y136-A140 WeakPolarHBondContact O-CB 3.35Å; Y136-A140 PolarHBondContact O-N 2.91Å; L137-A140 PolarHBondContact O-N 3.31Å; F138-A140 VanDerWaalsContact C-N 3.33Å; A140-E144 CarbonylContact O-C 3.59Å; A140-E144 VanDerWaalsContact O-CA 3.31Å; A140-E144 WeakPolarHBondContact O-CA 3.37Å; A140-E144 PolarHBondContact O-N 3.24Å; A140-L145 HydrophobicContact CB-CB 4.18Å; A140-L145 PolarHBondContact O-N 2.97Å; A140-V148 HydrophobicContact CB-CB 3.87Å; A140-V148 HydrophobicContact CB-CG1 3.82Å
141E91.8Very high92.7Very high99 Ų9952.8 Ų52.846%0.46326%0.262SS..Hα-helixtrans-67.1-42.5173.1-65.8-63.8145.500111.4L137 L139 F143 E144 S149L137-E141 HydrophobicContact CD1-CG 4.35Å; L137-E141 WeakPolarHBondContact O-CG 3.47Å; L137-E141 PolarHBondContact O-N 2.84Å; L139-E141 PolarHBondContact O-N 2.8Å; E141-F143 VanDerWaalsContact C-N 3.35Å; E141-F143 PolarHBondContact O-N 3.34Å; E141-E144 PolarHBondContact O-N 3.27Å; E141-S149 PolarHBondContact OE1-OG 3.05Å
142L91.3Very high93.2Very high105 Ų10548.9 Ų48.955%0.5523%0.23SC..Hα-helixtrans-63.2-39.4179.918063.7000112.8F138 L139F138-L142 VanDerWaalsContact O-CB 3.32Å; F138-L142 WeakPolarHBondContact O-CB 3.15Å; F138-L142 PolarHBondContact O-N 3.14Å; L139-L142 PolarHBondContact O-N 3.34Å
143F92.9Very high93.5Very high4 Ų448.8 Ų48.82%0.01823%0.229CC..Hα-helixtrans-101.44.3-177-64.8-68.7000113.4L105 R106 R117 L139 E141 L145L105-F143 HydrophobicContact CB-CD1 4.01Å; L105-F143 HydrophobicContact CB-CD2 3.87Å; L105-F143 HydrophobicContact CB-CE1 3.84Å; L105-F143 HydrophobicContact CB-CE2 3.72Å; L105-F143 HydrophobicContact CB-CG 4.04Å; L105-F143 HydrophobicContact CB-CZ 3.71Å; L105-F143 HydrophobicContact CD1-CD2 3.71Å; L105-F143 HydrophobicContact CD1-CE2 4.03Å; L105-F143 HydrophobicContact CD1-CG 4.28Å; L105-F143 HydrophobicContact CG-CD2 4.35Å; R106-F143 HydrophobicContact CB-CE1 4.47Å; R106-F143 HydrophobicContact CG-CE1 3.8Å; R106-F143 HydrophobicContact CG-CZ 3.52Å; R117-F143 PolarHBondContact NH1-O 2.76Å; R117-F143 PolarHBondContact NH2-O 3.07Å; L139-F143 HydrophobicContact CB-CD2 4.43Å; L139-F143 HydrophobicContact CD2-CE2 4.05Å; L139-F143 WeakPolarHBondContact O-CD2 3.47Å; L139-F143 PolarHBondContact O-N 3.35Å; E141-F143 VanDerWaalsContact C-N 3.35Å; E141-F143 PolarHBondContact O-N 3.34Å; F143-L145 HydrophobicContact CB-CD1 4.21Å; F143-L145 HydrophobicContact CB-CG 3.94Å; F143-L145 PolarHBondContact O-N 2.95Å
144E93.7Very high93.6Very high164 Ų16450.5 Ų50.577%0.76624%0.241SC*.THydrogen-bonded Turntrans5743.2-176.9-55176.4-177.900113.4R117 A140 E141 K146R117-E144 PolarHBondContact NH2-O 3.05Å; A140-E144 CarbonylContact O-C 3.59Å; A140-E144 VanDerWaalsContact O-CA 3.31Å; A140-E144 WeakPolarHBondContact O-CA 3.37Å; A140-E144 PolarHBondContact O-N 3.24Å; E141-E144 PolarHBondContact O-N 3.27Å; E144-K146 PolarHBondContact O-N 3.47Å
145L95Very high93.6Very high8 Ų850.9 Ų50.94%0.04225%0.247CC..  trans-9184.3176.4-56.3176000110.1L105 R117 L124 A140 F143 E147 V148 S149L105-L145 HydrophobicContact CD1-CD1 3.92Å; L105-L145 HydrophobicContact CD2-CD1 4.17Å; R117-L145 HydrophobicContact CG-CD2 4.41Å; L124-L145 HydrophobicContact CD1-CD1 3.76Å; A140-L145 HydrophobicContact CB-CB 4.18Å; A140-L145 PolarHBondContact O-N 2.97Å; F143-L145 HydrophobicContact CB-CD1 4.21Å; F143-L145 HydrophobicContact CB-CG 3.94Å; F143-L145 PolarHBondContact O-N 2.95Å; L145-E147 PolarHBondContact O-N 3.47Å; L145-V148 HydrophobicContact CB-CB 4.09Å; L145-V148 HydrophobicContact CB-CG2 4.2Å; L145-V148 PolarHBondContact O-N 2.92Å; L145-S149 PolarHBondContact O-N 3.22Å
146K94.4Very high93.7Very high162 Ų16246 Ų4670%0.70423%0.228SC*.Hα-helixtrans-55.1-48.7-172.2-170.9177.6-179.9-1780114E144 V148 S149 D150E144-K146 PolarHBondContact O-N 3.47Å; K146-V148 VanDerWaalsContact C-N 3.35Å; K146-V148 PolarHBondContact O-N 3.46Å; K146-S149 PolarHBondContact O-N 3.18Å; K146-S149 VanDerWaalsContact O-N 3.17Å; K146-D150 PolarHBondContact O-N 2.92Å
147E94.6Very high93.7Very high120 Ų12047.8 Ų47.856%0.56124%0.235SC*.Hα-helixtrans-61.5-42.2-178.9-65.517717500112.3N121 I125 L145 L151N121-E147 PolarHBondContact ND2-OE2 2.66Å; I125-E147 HydrophobicContact CD1-CB 4.06Å; I125-E147 WeakPolarHBondContact CD1-OE2 3.32Å; L145-E147 PolarHBondContact O-N 3.47Å; E147-L151 WeakPolarHBondContact O-CB 3.47Å; E147-L151 WeakPolarHBondContact O-CG 3.4Å; E147-L151 PolarHBondContact O-N 3.24Å; E147-L151 VanDerWaalsContact O-N 3.09Å
148V95.8Very high93.6Very high0 Ų048.7 Ų48.70%024%0.24CC..Hα-helixtrans-67.3-40.3176.1-1790000110.4N121 L124 I125 A140 L145 K146 A152N121-V148 VanDerWaalsContact OD1-CG2 3.23Å; N121-V148 WeakPolarHBondContact OD1-CG2 3.44Å; L124-V148 HydrophobicContact CB-CG1 4.05Å; L124-V148 HydrophobicContact CB-CG2 3.86Å; L124-V148 HydrophobicContact CD1-CG1 4.32Å; L124-V148 HydrophobicContact CD1-CG2 4.36Å; I125-V148 HydrophobicContact CD1-CG2 4.44Å; I125-V148 HydrophobicContact CG1-CG2 3.74Å; A140-V148 HydrophobicContact CB-CB 3.87Å; A140-V148 HydrophobicContact CB-CG1 3.82Å; L145-V148 HydrophobicContact CB-CB 4.09Å; L145-V148 HydrophobicContact CB-CG2 4.2Å; L145-V148 PolarHBondContact O-N 2.92Å; K146-V148 VanDerWaalsContact C-N 3.35Å; K146-V148 PolarHBondContact O-N 3.46Å; V148-A152 WeakPolarHBondContact O-CB 3.16Å; V148-A152 PolarHBondContact O-N 3.17Å
149S95.3Very high93.6Very high8 Ų846.7 Ų46.76%0.05623%0.232CC..Hα-helixtrans-61.1-48.4177.7176.80000110.7L137 E141 L145 K146 A152 Y153L137-S149 WeakPolarHBondContact CD1-OG 3.48Å; E141-S149 PolarHBondContact OE1-OG 3.05Å; L145-S149 PolarHBondContact O-N 3.22Å; K146-S149 PolarHBondContact O-N 3.18Å; K146-S149 VanDerWaalsContact O-N 3.17Å; S149-A152 PolarHBondContact O-N 3.45Å; S149-Y153 WeakPolarHBondContact O-CB 3.31Å; S149-Y153 PolarHBondContact O-N 2.75Å
150D94.6Very high93.7Very high71 Ų7146.4 Ų46.438%0.3823%0.231SC..Hα-helixtrans-62-48.3-179.6-70.9-29.1000111.3K146 Y153 S154K146-D150 PolarHBondContact O-N 2.92Å; D150-Y153 PolarHBondContact O-N 2.88Å; D150-S154 WeakPolarHBondContact O-CB 3.42Å; D150-S154 PolarHBondContact O-N 2.83Å; D150-S154 PolarHBondContact O-OG 2.85Å
151L93.8Very high93.5Very high84 Ų8448.6 Ų48.644%0.4424%0.24SC..Hα-helixtrans-65.6-42.4178.4-72.7171.9000112.8I125 I128 E147 G155I125-L151 HydrophobicContact CB-CD1 4.43Å; I125-L151 HydrophobicContact CG1-CD1 4.14Å; I125-L151 HydrophobicContact CG2-CD1 3.79Å; I128-L151 HydrophobicContact CD1-CB 3.6Å; I128-L151 HydrophobicContact CD1-CD1 4.42Å; E147-L151 WeakPolarHBondContact O-CB 3.47Å; E147-L151 WeakPolarHBondContact O-CG 3.4Å; E147-L151 PolarHBondContact O-N 3.24Å; E147-L151 VanDerWaalsContact O-N 3.09Å; L151-G155 PolarHBondContact O-N 3.09Å
152A95.1Very high93.4Very high0 Ų046.5 Ų46.50%023%0.23CC..Hα-helixtrans-66.9-41.7178.800000111.2I128 L137 V148 S149 G155 I156I128-A152 HydrophobicContact CD1-CB 4.5Å; L137-A152 HydrophobicContact CB-CB 3.9Å; L137-A152 HydrophobicContact CD1-CB 4.43Å; V148-A152 WeakPolarHBondContact O-CB 3.16Å; V148-A152 PolarHBondContact O-N 3.17Å; S149-A152 PolarHBondContact O-N 3.45Å; A152-G155 PolarHBondContact O-N 3.31Å; A152-I156 VanDerWaalsContact O-CG1 3.28Å; A152-I156 WeakPolarHBondContact O-CG1 3.17Å; A152-I156 PolarHBondContact O-N 2.96Å
153Y95Very high93.4Very high13 Ų1341.8 Ų41.85%0.05121%0.205CC..Hα-helixtrans-61.6-49.8174.9178.7-89.8000111.3L137 S149 D150 G155 I156 R157 R182 L183 D186L137-Y153 HydrophobicContact CD2-CD2 4.43Å; S149-Y153 WeakPolarHBondContact O-CB 3.31Å; S149-Y153 PolarHBondContact O-N 2.75Å; D150-Y153 PolarHBondContact O-N 2.88Å; Y153-G155 VanDerWaalsContact C-N 3.28Å; Y153-G155 PolarHBondContact O-N 2.88Å; Y153-I156 PolarHBondContact O-N 3.42Å; Y153-I156 VanDerWaalsContact O-N 3.14Å; Y153-R157 HydrophobicContact CE1-CB 4.41Å; Y153-R157 WeakPolarHBondContact O-CB 3.5Å; Y153-R157 PolarHBondContact O-N 2.84Å; Y153-R182 HydrophobicContact CE2-CB 4.34Å; Y153-R182 HydrophobicContact CE2-CG 3.74Å; Y153-R182 PolarHBondContact OH-O 2.92Å; Y153-L183 HydrophobicContact CD2-CD2 4.23Å; Y153-L183 HydrophobicContact CE2-CD2 3.6Å; Y153-L183 HydrophobicContact CE2-CG 3.99Å; Y153-D186 PolarHBondContact OH-OD2 3.17Å
154S93.1Very high93.2Very high37 Ų3742.7 Ų42.726%0.25921%0.213SC..Hα-helixtrans-57.9-41.8174.4-66.40000111.5D150 I156 R157 D158D150-S154 WeakPolarHBondContact O-CB 3.42Å; D150-S154 PolarHBondContact O-N 2.83Å; D150-S154 PolarHBondContact O-OG 2.85Å; S154-I156 VanDerWaalsContact C-N 3.33Å; S154-I156 PolarHBondContact O-N 2.68Å; S154-R157 PolarHBondContact O-N 2.81Å; S154-D158 VanDerWaalsContact O-CB 3.27Å; S154-D158 WeakPolarHBondContact O-CB 3.43Å; S154-D158 PolarHBondContact O-N 3.25Å
155G91.9Very high92.9Very high16 Ų1635.8 Ų35.817%0.16518%0.183CC..Hα-helixtrans-60.4-38.3175.700000113.7L151 A152 Y153 N159L151-G155 PolarHBondContact O-N 3.09Å; A152-G155 PolarHBondContact O-N 3.31Å; Y153-G155 VanDerWaalsContact C-N 3.28Å; Y153-G155 PolarHBondContact O-N 2.88Å; G155-N159 WeakPolarHBondContact O-CB 3.39Å; G155-N159 PolarHBondContact O-N 2.84Å; G155-N159 PolarHBondContact O-ND2 3.1Å
156I93.4Very high92.3Very high0 Ų040.6 Ų40.60%022%0.215CC..Hα-helixtrans-71.2-47.4175-63.4160.7000110.5C133 L134 L137 A152 Y153 S154 D158 N159 F160 W163 L183C133-I156 HydrophobicContact CB-CG1 4.12Å; C133-I156 WeakPolarHBondContact SG-CG1 2.91Å; L134-I156 HydrophobicContact CB-CD1 4.3Å; L134-I156 HydrophobicContact CD1-CD1 3.92Å; L137-I156 HydrophobicContact CB-CD1 4.05Å; L137-I156 HydrophobicContact CD2-CD1 3.5Å; L137-I156 HydrophobicContact CG-CD1 4.42Å; A152-I156 VanDerWaalsContact O-CG1 3.28Å; A152-I156 WeakPolarHBondContact O-CG1 3.17Å; A152-I156 PolarHBondContact O-N 2.96Å; Y153-I156 PolarHBondContact O-N 3.42Å; Y153-I156 VanDerWaalsContact O-N 3.14Å; S154-I156 VanDerWaalsContact C-N 3.33Å; S154-I156 PolarHBondContact O-N 2.68Å; I156-D158 VanDerWaalsContact C-N 3.35Å; I156-D158 PolarHBondContact O-N 2.85Å; I156-N159 CarbonylContact O-C 3.54Å; I156-N159 PolarHBondContact O-N 3.4Å; I156-F160 WeakPolarHBondContact O-CA 3.48Å; I156-F160 PolarHBondContact O-N 3.08Å; I156-W163 HydrophobicContact CG2-CG 4.45Å; I156-L183 HydrophobicContact CG2-CD1 3.81Å; I156-L183 HydrophobicContact CG2-CD2 3.99Å
157R94.1Very high91.6Very high38 Ų3839.2 Ų39.214%0.14321%0.211CC..Hα-helixtrans-57.7-47.6179.9-177.7-162.767.1179.81.8111.3Y153 S154 N159 F160 L183 D186 L189 H190Y153-R157 HydrophobicContact CE1-CB 4.41Å; Y153-R157 WeakPolarHBondContact O-CB 3.5Å; Y153-R157 PolarHBondContact O-N 2.84Å; S154-R157 PolarHBondContact O-N 2.81Å; R157-N159 VanDerWaalsContact C-N 3.26Å; R157-N159 PolarHBondContact O-N 3.23Å; R157-F160 PolarHBondContact O-N 3.04Å; R157-L183 HydrophobicContact CB-CD2 4.33Å; R157-D186 WeakPolarHBondContact CD-OD2 3.4Å; R157-L189 HydrophobicContact CB-CD1 4.45Å; R157-L189 HydrophobicContact CG-CD1 4.05Å; R157-H190 WeakPolarHBondContact O-CB 3.06Å; R157-H190 PolarHBondContact O-N 2.75Å
158D92.1Very high90.9Very high19 Ų1933.6 Ų33.610%0.10219%0.185CC..Hα-helixtrans-74.5-17.2-174.8-621.3000112.4S154 I156 H190 R327S154-D158 VanDerWaalsContact O-CB 3.27Å; S154-D158 WeakPolarHBondContact O-CB 3.43Å; S154-D158 PolarHBondContact O-N 3.25Å; I156-D158 VanDerWaalsContact C-N 3.35Å; I156-D158 PolarHBondContact O-N 2.85Å; D158-H190 WeakPolarHBondContact CA-ND1 3.23Å; D158-H190 WeakPolarHBondContact O-CB 3.34Å; D158-H190 PolarHBondContact O-ND1 2.8Å; D158-R327 VanDerWaalsContact OD2-CD 3.27Å; D158-R327 WeakPolarHBondContact OD2-CD 3.38Å; D158-R327 IonicContact OD2-CZ 2.69Å; D158-R327 IonicContact OD2-NH1 3.76Å; D158-R327 PolarHBondContact OD2-NH1 3.14Å
159N91.1Very high90.2Very high26 Ų2634.9 Ų34.914%0.13919%0.194CC..THydrogen-bonded Turntrans-119.323.1177.6-63.4-96.5000112.3R130 G155 I156 R157 H161 F162 W163R130-N159 HydrophobicContact CG-CB 4.19Å; R130-N159 PolarHBondContact NE-OD1 2.97Å; R130-N159 PolarHBondContact NH2-OD1 3.17Å; G155-N159 WeakPolarHBondContact O-CB 3.39Å; G155-N159 PolarHBondContact O-N 2.84Å; G155-N159 PolarHBondContact O-ND2 3.1Å; I156-N159 CarbonylContact O-C 3.54Å; I156-N159 PolarHBondContact O-N 3.4Å; R157-N159 VanDerWaalsContact C-N 3.26Å; R157-N159 PolarHBondContact O-N 3.23Å; N159-H161 PolarHBondContact O-N 3.47Å; N159-F162 WeakPolarHBondContact O-CB 3.47Å; N159-F162 PolarHBondContact O-N 3.29Å; N159-W163 PolarHBondContact O-N 2.79Å
160F93.3Very high89.5Confident0 Ų040.7 Ų40.70%022%0.222CC..Hα-helixtrans-61.2-31.3-173.8-175.4-87.2000112.5I156 R157 F162 W163 A164 F172 L184 L189 H190 V191 A200I156-F160 WeakPolarHBondContact O-CA 3.48Å; I156-F160 PolarHBondContact O-N 3.08Å; R157-F160 PolarHBondContact O-N 3.04Å; F160-F162 PolarHBondContact O-N 2.99Å; F160-F162 VanDerWaalsContact O-N 3.08Å; F160-W163 PolarHBondContact O-N 3.32Å; F160-A164 HydrophobicContact CD1-CB 4.14Å; F160-A164 HydrophobicContact CE1-CB 3.84Å; F160-A164 WeakPolarHBondContact O-CB 3.3Å; F160-A164 PolarHBondContact O-N 2.84Å; F160-F172 HydrophobicContact CD2-CZ 4.22Å; F160-F172 AromaticContact CE2-CE1 3.65Å; F160-F172 HydrophobicContact CE2-CE1 3.65Å; F160-F172 HydrophobicContact CE2-CE2 4.27Å; F160-F172 AromaticContact CE2-CZ 3.41Å; F160-F172 HydrophobicContact CE2-CZ 3.41Å; F160-F172 VanDerWaalsContact CE2-CZ 3.41Å; F160-F172 AromaticContact CZ-CE1 3.97Å; F160-F172 HydrophobicContact CZ-CE1 3.97Å; F160-F172 HydrophobicContact CZ-CZ 4.18Å; F160-L184 HydrophobicContact CZ-CD2 4.41Å; F160-L189 HydrophobicContact CB-CD1 3.63Å; F160-L189 HydrophobicContact CB-CG 3.92Å; F160-L189 HydrophobicContact CD1-CD1 4.4Å; F160-L189 HydrophobicContact CD1-CD2 3.85Å; F160-L189 HydrophobicContact CD1-CG 4.09Å; F160-L189 HydrophobicContact CD2-CD1 3.63Å; F160-L189 HydrophobicContact CD2-CD2 4.09Å; F160-L189 HydrophobicContact CD2-CG 4.18Å; F160-L189 HydrophobicContact CE1-CD2 3.93Å; F160-L189 HydrophobicContact CE2-CD1 4.32Å; F160-L189 HydrophobicContact CE2-CD2 4.13Å; F160-L189 HydrophobicContact CG-CD1 3.64Å; F160-L189 HydrophobicContact CG-CD2 3.91Å; F160-L189 HydrophobicContact CG-CG 3.81Å; F160-L189 HydrophobicContact CZ-CD2 4.07Å; F160-H190 WeakPolarHBondContact CB-O 3.31Å; F160-V191 HydrophobicContact CD1-CG1 3.6Å; F160-V191 HydrophobicContact CE1-CG1 4.01Å; F160-A200 HydrophobicContact CE1-CB 4.46Å; F160-A200 HydrophobicContact CZ-CB 4.14Å
161H91.1Very high88.8Confident46 Ų4642.3 Ų42.321%0.21323%0.227CC..Hα-helixtrans-52-30.3172.169.581.8000114.2N159 H190 L192 Q196N159-H161 PolarHBondContact O-N 3.47Å; H161-H190 PolarHBondContact N-O 2.95Å; H161-L192 HydrophobicContact CB-CD2 4.35Å; H161-L192 HydrophobicContact CB-CG 3.93Å; H161-Q196 PolarHBondContact O-NE2 3.22Å
162F90.2Very high88.4Confident56 Ų5638.4 Ų38.425%0.24621%0.207CC..Hα-helixtrans-81.9-41174.1168.1-97.2000111.3R130 N159 F160 A164 S165 E167 G168R130-F162 HydrophobicContact CG-CD1 3.83Å; R130-F162 HydrophobicContact CG-CE1 4.15Å; R130-F162 HydrophobicContact CG-CG 4.31Å; N159-F162 WeakPolarHBondContact O-CB 3.47Å; N159-F162 PolarHBondContact O-N 3.29Å; F160-F162 PolarHBondContact O-N 2.99Å; F160-F162 VanDerWaalsContact O-N 3.08Å; F162-A164 PolarHBondContact O-N 2.95Å; F162-S165 WeakPolarHBondContact O-CB 3.41Å; F162-S165 PolarHBondContact O-N 3.32Å; F162-S165 PolarHBondContact O-OG 2.85Å; F162-E167 HydrophobicContact CE2-CB 4.36Å; F162-G168 WeakPolarHBondContact O-CA 3.4Å
163W90.3Very high87.9Confident5 Ų539.5 Ų39.52%0.01921%0.212CC..Hα-helixtrans-65.3-28.8177.3-68.2111.1000113.2R130 C133 L134 I156 N159 F160 G168 S169 H171 F172R130-W163 WeakPolarHBondContact O-CZ2 3.17Å; C133-W163 WeakPolarHBondContact SG-CZ2 3.5Å; L134-W163 HydrophobicContact CB-CH2 3.72Å; L134-W163 HydrophobicContact CB-CZ2 3.97Å; L134-W163 HydrophobicContact CB-CZ3 4.23Å; L134-W163 HydrophobicContact CD2-CH2 4.49Å; L134-W163 HydrophobicContact CD2-CZ3 4.17Å; I156-W163 HydrophobicContact CG2-CG 4.45Å; N159-W163 PolarHBondContact O-N 2.79Å; F160-W163 PolarHBondContact O-N 3.32Å; W163-G168 CarbonylContact O-C 3.4Å; W163-S169 WeakPolarHBondContact O-CA 3.25Å; W163-S169 PolarHBondContact O-N 3.49Å; W163-H171 HydrophobicContact CZ3-CB 4.09Å; W163-F172 HydrophobicContact CB-CB 4.39Å; W163-F172 HydrophobicContact CB-CD2 4.13Å; W163-F172 HydrophobicContact CB-CG 4.1Å; W163-F172 HydrophobicContact CE3-CB 4.11Å
164A89.3Confident87.5Confident24 Ų2446.9 Ų46.920%0.19824%0.24CC..THydrogen-bonded Turntrans-82.5-10.5173.200000113.8F160 F162 Q196 A200F160-A164 HydrophobicContact CD1-CB 4.14Å; F160-A164 HydrophobicContact CE1-CB 3.84Å; F160-A164 WeakPolarHBondContact O-CB 3.3Å; F160-A164 PolarHBondContact O-N 2.84Å; F162-A164 PolarHBondContact O-N 2.95Å; A164-Q196 HydrophobicContact CB-CB 4.08Å; A164-A200 HydrophobicContact CB-CB 4.33Å
165S87.7Confident87.3Confident19 Ų1945.1 Ų45.113%0.13323%0.227CC..SBendtrans-77.6160.517683.30000111.1F162 E167 G168 S169F162-S165 WeakPolarHBondContact O-CB 3.41Å; F162-S165 PolarHBondContact O-N 3.32Å; F162-S165 PolarHBondContact O-OG 2.85Å; S165-E167 VanDerWaalsContact CB-OE2 3.28Å; S165-E167 WeakPolarHBondContact CB-OE2 3.4Å; S165-E167 PolarHBondContact O-N 2.71Å; S165-E167 VanDerWaalsContact O-N 3.14Å; S165-E167 PolarHBondContact OG-OE2 2.92Å; S165-G168 PolarHBondContact O-N 2.94Å; S165-S169 WeakPolarHBondContact O-CB 3.42Å; S165-S169 PolarHBondContact O-N 2.94Å; S165-S169 PolarHBondContact O-OG 3.33Å
166P82.5Confident87.2Confident109 Ų10946.9 Ų46.971%0.70824%0.236SC*.Hα-helixtrans-52-37.6179.1-27.336.2000113.2S169P166-S169 PolarHBondContact O-OG 2.98Å
167E79.4Confident87.2Confident133 Ų13348.6 Ų48.662%0.62125%0.247SC*.Hα-helixtrans-67.6-47.9-179.3-54.782.1-171.200112.4F162 S165F162-E167 HydrophobicContact CE2-CB 4.36Å; S165-E167 VanDerWaalsContact CB-OE2 3.28Å; S165-E167 WeakPolarHBondContact CB-OE2 3.4Å; S165-E167 PolarHBondContact O-N 2.71Å; S165-E167 VanDerWaalsContact O-N 3.14Å; S165-E167 PolarHBondContact OG-OE2 2.92Å
168G80.4Confident87Confident1 Ų152.7 Ų52.71%0.0128%0.276CS..Hα-helixtrans-76.2-27.1-18000000113.6F162 W163 S165 M170 H171 F172F162-G168 WeakPolarHBondContact O-CA 3.4Å; W163-G168 CarbonylContact O-C 3.4Å; S165-G168 PolarHBondContact O-N 2.94Å; G168-M170 VanDerWaalsContact C-N 3.26Å; G168-M170 PolarHBondContact O-N 3.06Å; G168-H171 PolarHBondContact O-N 2.82Å; G168-F172 PolarHBondContact O-N 3.01Å; G168-F172 VanDerWaalsContact O-N 3.17Å
169S80Confident87Confident28 Ų2852.7 Ų52.720%0.19628%0.275CS..Hα-helixtrans-59.5-34.7-171.373.20000113.1W163 S165 P166 H171 F172 M173W163-S169 WeakPolarHBondContact O-CA 3.25Å; W163-S169 PolarHBondContact O-N 3.49Å; S165-S169 WeakPolarHBondContact O-CB 3.42Å; S165-S169 PolarHBondContact O-N 2.94Å; S165-S169 PolarHBondContact O-OG 3.33Å; P166-S169 PolarHBondContact O-OG 2.98Å; S169-H171 VanDerWaalsContact C-N 3.29Å; S169-H171 PolarHBondContact O-N 3.16Å; S169-F172 PolarHBondContact O-N 3.23Å; S169-F172 VanDerWaalsContact O-N 3.14Å; S169-M173 VanDerWaalsContact O-CG 3.25Å; S169-M173 WeakPolarHBondContact O-CG 3.23Å; S169-M173 PolarHBondContact O-N 3.37Å
170M80.8Confident87.1Confident129 Ų12951.5 Ų51.564%0.63527%0.269SS*.Hα-helixtrans-57.3-42.3-177.3-169.1178.891.600112.4G168G168-M170 VanDerWaalsContact C-N 3.26Å; G168-M170 PolarHBondContact O-N 3.06Å
171H79.5Confident87.2Confident105 Ų10551.8 Ų51.849%0.48627%0.272SS..Hα-helixtrans-81.7-37.9177.6-63.2-70.1000111.2L134 W163 G168 S169 M173 R174L134-H171 HydrophobicContact CD2-CB 4.33Å; L134-H171 WeakPolarHBondContact CD2-O 3.47Å; W163-H171 HydrophobicContact CZ3-CB 4.09Å; G168-H171 PolarHBondContact O-N 2.82Å; S169-H171 VanDerWaalsContact C-N 3.29Å; S169-H171 PolarHBondContact O-N 3.16Å; H171-M173 VanDerWaalsContact C-N 3.32Å; H171-M173 PolarHBondContact O-N 2.84Å; H171-R174 PolarHBondContact O-N 2.89Å
172F85.8Confident87.3Confident3 Ų355.1 Ų55.11%0.01328%0.283CS..Hα-helixtrans-65.7-30.6-178.4-168.2-117.7000113.4L134 F160 W163 G168 S169 R174 C175 F180 L183L134-F172 HydrophobicContact CD2-CD2 4.4Å; F160-F172 HydrophobicContact CD2-CZ 4.22Å; F160-F172 AromaticContact CE2-CE1 3.65Å; F160-F172 HydrophobicContact CE2-CE1 3.65Å; F160-F172 HydrophobicContact CE2-CE2 4.27Å; F160-F172 AromaticContact CE2-CZ 3.41Å; F160-F172 HydrophobicContact CE2-CZ 3.41Å; F160-F172 VanDerWaalsContact CE2-CZ 3.41Å; F160-F172 AromaticContact CZ-CE1 3.97Å; F160-F172 HydrophobicContact CZ-CE1 3.97Å; F160-F172 HydrophobicContact CZ-CZ 4.18Å; W163-F172 HydrophobicContact CB-CB 4.39Å; W163-F172 HydrophobicContact CB-CD2 4.13Å; W163-F172 HydrophobicContact CB-CG 4.1Å; W163-F172 HydrophobicContact CE3-CB 4.11Å; G168-F172 PolarHBondContact O-N 3.01Å; G168-F172 VanDerWaalsContact O-N 3.17Å; S169-F172 PolarHBondContact O-N 3.23Å; S169-F172 VanDerWaalsContact O-N 3.14Å; F172-R174 PolarHBondContact O-N 3.29Å; F172-R174 VanDerWaalsContact O-N 3.11Å; F172-C175 HydrophobicContact CD2-CB 4.36Å; F172-C175 HydrophobicContact CE2-CB 4.3Å; F172-C175 WeakPolarHBondContact O-CB 3.5Å; F172-C175 PolarHBondContact O-N 3.3Å; F172-F180 HydrophobicContact CD1-CE2 4.17Å; F172-F180 AromaticContact CE1-CD2 3.68Å; F172-F180 HydrophobicContact CE1-CD2 3.68Å; F172-F180 AromaticContact CE1-CE2 3.29Å; F172-F180 HydrophobicContact CE1-CE2 3.29Å; F172-F180 HydrophobicContact CE1-CZ 4.38Å; F172-F180 HydrophobicContact CE2-CD2 4.42Å; F172-F180 AromaticContact CZ-CD2 3.53Å; F172-F180 HydrophobicContact CZ-CD2 3.53Å; F172-F180 AromaticContact CZ-CE2 3.63Å; F172-F180 HydrophobicContact CZ-CE2 3.63Å; F172-L183 HydrophobicContact CE2-CD1 3.71Å; F172-L183 HydrophobicContact CZ-CD1 3.89Å
173M85.4Confident87.6Confident22 Ų2252.5 Ų52.511%0.10827%0.272CS..THydrogen-bonded Turntrans-59.1-25.5174.9-67.4-40.2171.600113.2S169 H171 C175 N203 W204 F207 R212S169-M173 VanDerWaalsContact O-CG 3.25Å; S169-M173 WeakPolarHBondContact O-CG 3.23Å; S169-M173 PolarHBondContact O-N 3.37Å; H171-M173 VanDerWaalsContact C-N 3.32Å; H171-M173 PolarHBondContact O-N 2.84Å; M173-C175 PolarHBondContact O-N 3.38Å; M173-N203 HydrophobicContact CE-CB 3.26Å; M173-N203 HydrophobicContact SD-CB 4.07Å; M173-W204 HydrophobicContact SD-CB 4.15Å; M173-F207 HydrophobicContact CB-CB 4.18Å; M173-F207 HydrophobicContact CB-CD1 3.89Å; M173-F207 HydrophobicContact CB-CD2 3.99Å; M173-F207 HydrophobicContact CB-CE1 4.3Å; M173-F207 HydrophobicContact CB-CE2 4.38Å; M173-F207 HydrophobicContact CB-CG 3.74Å; M173-F207 HydrophobicContact CG-CB 4.34Å; M173-F207 HydrophobicContact CG-CD2 4.23Å; M173-F207 HydrophobicContact CG-CG 4.23Å; M173-R212 VanDerWaalsContact O-CZ 3.25Å; M173-R212 PolarHBondContact O-NH1 2.98Å; M173-R212 PolarHBondContact O-NH2 2.97Å
174R85.5Confident87.8Confident169 Ų16952.3 Ų52.364%0.63827%0.271SS*.THydrogen-bonded Turntrans-81.4-1.8178.3-62.3-177.6177.7-173.3-1.7113H171 F172 F207H171-R174 PolarHBondContact O-N 2.89Å; F172-R174 PolarHBondContact O-N 3.29Å; F172-R174 VanDerWaalsContact O-N 3.11Å; R174-F207 HydrophobicContact CG-CE1 4.26Å
175C90.1Very high88Confident0 Ų059.4 Ų59.40%029%0.293CS..  trans-58.2132.3179.5-170.50000111.9F172 M173 I179 F180 W204 R212F172-C175 HydrophobicContact CD2-CB 4.36Å; F172-C175 HydrophobicContact CE2-CB 4.3Å; F172-C175 WeakPolarHBondContact O-CB 3.5Å; F172-C175 PolarHBondContact O-N 3.3Å; M173-C175 PolarHBondContact O-N 3.38Å; C175-I179 VanDerWaalsContact SG-CG2 3.58Å; C175-F180 HydrophobicContact CB-CD2 4.45Å; C175-W204 PolarHBondContact O-NE1 2.94Å; C175-R212 PolarHBondContact O-NH2 2.85Å
176P90.2Very high88.4Confident53 Ų5359.9 Ų59.934%0.34429%0.293SS..  trans-60.7150173.7-24.934.4000112.8F138 V178 I179 F180F138-P176 HydrophobicContact CE1-CG 4.13Å; P176-V178 PolarHBondContact O-N 3.14Å; P176-V178 VanDerWaalsContact O-N 3.17Å; P176-I179 HydrophobicContact CG-CD1 4.32Å; P176-I179 PolarHBondContact O-N 3.46Å; P176-F180 WeakPolarHBondContact O-CB 3.39Å; P176-F180 PolarHBondContact O-N 3.3Å
177P91.9Very high88.8Confident36 Ų3659.2 Ų59.223%0.23428%0.281CS..Hα-helixtrans-55.6-35.4-179.9-25.633.2000114.3G181 W204 Y215 F219P177-G181 PolarHBondContact O-N 3Å; P177-W204 HydrophobicContact CB-CH2 3.77Å; P177-W204 HydrophobicContact CB-CZ2 4.06Å; P177-W204 HydrophobicContact CG-CH2 3.81Å; P177-W204 HydrophobicContact CG-CZ2 3.89Å; P177-Y215 HydrophobicContact CB-CD1 4.41Å; P177-Y215 HydrophobicContact CB-CD2 3.99Å; P177-Y215 HydrophobicContact CB-CE1 4.2Å; P177-Y215 HydrophobicContact CB-CE2 3.76Å; P177-Y215 HydrophobicContact CB-CG 4.32Å; P177-Y215 HydrophobicContact CG-CD2 4.14Å; P177-Y215 HydrophobicContact CG-CE2 3.68Å; P177-F219 VanDerWaalsContact O-CZ 3.3Å; P177-F219 WeakPolarHBondContact O-CZ 3.36Å
178V91.2Very high89.4Confident123 Ų12355.1 Ų55.175%0.74526%0.264SS*.Hα-helixtrans-63.7-49.4-178.7179.80000111.2P176 R182P176-V178 PolarHBondContact O-N 3.14Å; P176-V178 VanDerWaalsContact O-N 3.17Å; V178-R182 WeakPolarHBondContact O-CB 3.33Å; V178-R182 PolarHBondContact O-N 2.79Å
179I91.9Very high90.1Very high19 Ų1955.1 Ų55.110%0.09726%0.263CS..Hα-helixtrans-69.7-44.3-179.8-63.8169.8000110.1L137 F138 C175 P176 G181 R182 L183L137-I179 HydrophobicContact CD2-CD1 4.03Å; L137-I179 HydrophobicContact CD2-CG1 4.43Å; L137-I179 HydrophobicContact CD2-CG2 3.62Å; L137-I179 HydrophobicContact CG-CD1 4.17Å; F138-I179 HydrophobicContact CD1-CD1 3.8Å; F138-I179 HydrophobicContact CE1-CD1 3.75Å; C175-I179 VanDerWaalsContact SG-CG2 3.58Å; P176-I179 HydrophobicContact CG-CD1 4.32Å; P176-I179 PolarHBondContact O-N 3.46Å; I179-G181 PolarHBondContact O-N 3.06Å; I179-R182 WeakPolarHBondContact O-CB 3.39Å; I179-R182 PolarHBondContact O-N 2.97Å; I179-L183 HydrophobicContact CG2-CD1 4.18Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.37Å
180F93.5Very high90.8Very high1 Ų154.1 Ų54.10%0.00426%0.255CS..Hα-helixtrans-60.4-45.8179.6-170-89.2000112.2F172 C175 P176 R182 L183 L184 L201 W204 F219F172-F180 HydrophobicContact CD1-CE2 4.17Å; F172-F180 AromaticContact CE1-CD2 3.68Å; F172-F180 HydrophobicContact CE1-CD2 3.68Å; F172-F180 AromaticContact CE1-CE2 3.29Å; F172-F180 HydrophobicContact CE1-CE2 3.29Å; F172-F180 HydrophobicContact CE1-CZ 4.38Å; F172-F180 HydrophobicContact CE2-CD2 4.42Å; F172-F180 AromaticContact CZ-CD2 3.53Å; F172-F180 HydrophobicContact CZ-CD2 3.53Å; F172-F180 AromaticContact CZ-CE2 3.63Å; F172-F180 HydrophobicContact CZ-CE2 3.63Å; C175-F180 HydrophobicContact CB-CD2 4.45Å; P176-F180 WeakPolarHBondContact O-CB 3.39Å; P176-F180 PolarHBondContact O-N 3.3Å; F180-R182 VanDerWaalsContact C-N 3.34Å; F180-R182 PolarHBondContact O-N 2.82Å; F180-L183 PolarHBondContact O-N 3.44Å; F180-L184 HydrophobicContact CD1-CD1 3.94Å; F180-L184 HydrophobicContact CD1-CG 4.35Å; F180-L184 HydrophobicContact CE1-CD1 3.32Å; F180-L184 HydrophobicContact CE1-CG 3.96Å; F180-L184 HydrophobicContact CZ-CD1 4.03Å; F180-L184 HydrophobicContact CZ-CG 4.43Å; F180-L184 PolarHBondContact O-N 3.29Å; F180-L184 VanDerWaalsContact O-N 3.09Å; F180-L201 HydrophobicContact CE1-CB 4.49Å; F180-L201 HydrophobicContact CE1-CD1 3.83Å; F180-W204 HydrophobicContact CB-CZ2 4.12Å; F180-W204 AromaticContact CD1-CD2 3.86Å; F180-W204 HydrophobicContact CD1-CD2 3.86Å; F180-W204 AromaticContact CD1-CE3 3.91Å; F180-W204 HydrophobicContact CD1-CE3 3.91Å; F180-W204 HydrophobicContact CD1-CG 4.31Å; F180-W204 HydrophobicContact CD1-CZ3 4.29Å; F180-W204 HydrophobicContact CD2-CB 4.33Å; F180-W204 AromaticContact CD2-CD1 3.5Å; F180-W204 VanDerWaalsContact CD2-CD1 3.5Å; F180-W204 AromaticContact CD2-CD2 3.97Å; F180-W204 HydrophobicContact CD2-CD2 3.97Å; F180-W204 AromaticContact CD2-CG 3.7Å; F180-W204 HydrophobicContact CD2-CG 3.7Å; F180-W204 AromaticContact CD2-NE1 3.7Å; F180-W204 HydrophobicContact CE1-CB 4.26Å; F180-W204 AromaticContact CE1-CD2 3.96Å; F180-W204 HydrophobicContact CE1-CD2 3.96Å; F180-W204 AromaticContact CE1-CE3 3.91Å; F180-W204 HydrophobicContact CE1-CE3 3.91Å; F180-W204 HydrophobicContact CE1-CG 4.12Å; F180-W204 HydrophobicContact CE2-CB 3.59Å; F180-W204 AromaticContact CE2-CD1 3.61Å; F180-W204 HydrophobicContact CE2-CD2 4.06Å; F180-W204 AromaticContact CE2-CG 3.47Å; F180-W204 HydrophobicContact CE2-CG 3.47Å; F180-W204 VanDerWaalsContact CE2-CG 3.47Å; F180-W204 AromaticContact CG-CD2 3.87Å; F180-W204 HydrophobicContact CG-CD2 3.87Å; F180-W204 AromaticContact CG-CE2 3.8Å; F180-W204 HydrophobicContact CG-CE3 4.37Å; F180-W204 HydrophobicContact CG-CG 4.12Å; F180-W204 HydrophobicContact CG-CZ2 4.3Å; F180-W204 AromaticContact CG-NE1 3.92Å; F180-W204 HydrophobicContact CZ-CB 3.59Å; F180-W204 HydrophobicContact CZ-CD2 4.08Å; F180-W204 HydrophobicContact CZ-CE3 4.4Å; F180-W204 AromaticContact CZ-CG 3.74Å; F180-W204 HydrophobicContact CZ-CG 3.74Å; F180-F219 AromaticContact CD1-CD2 3.83Å; F180-F219 HydrophobicContact CD1-CD2 3.83Å; F180-F219 AromaticContact CD1-CE2 3.89Å; F180-F219 HydrophobicContact CD1-CE2 3.89Å; F180-F219 HydrophobicContact CE1-CD2 4.19Å
181G93.9Very high91.4Very high7 Ų748 Ų487%0.07223%0.225CC..Hα-helixtrans-64.7-36.7175.700000113.1P177 I179 R185 F219P177-G181 PolarHBondContact O-N 3Å; I179-G181 PolarHBondContact O-N 3.06Å; G181-R185 VanDerWaalsContact O-CB 3.3Å; G181-R185 WeakPolarHBondContact O-CB 3.47Å; G181-R185 PolarHBondContact O-N 2.78Å; G181-R185 VanDerWaalsContact O-N 3.15Å; G181-F219 VanDerWaalsContact CA-CE1 3.41Å
182R94.7Very high91.9Very high116 Ų11646.3 Ų46.344%0.43822%0.22SC..Hα-helixtrans-61.2-43.9174.2-174.2-176.2170.8-175.5-3.3111.1Y153 V178 I179 F180 D186Y153-R182 HydrophobicContact CE2-CB 4.34Å; Y153-R182 HydrophobicContact CE2-CG 3.74Å; Y153-R182 PolarHBondContact OH-O 2.92Å; V178-R182 WeakPolarHBondContact O-CB 3.33Å; V178-R182 PolarHBondContact O-N 2.79Å; I179-R182 WeakPolarHBondContact O-CB 3.39Å; I179-R182 PolarHBondContact O-N 2.97Å; F180-R182 VanDerWaalsContact C-N 3.34Å; F180-R182 PolarHBondContact O-N 2.82Å; R182-D186 PolarHBondContact O-N 2.88Å
183L94.9Very high92.1Very high0 Ų049 Ų490%023%0.234CC..Hα-helixtrans-64.3-48.7178.3-72166.5000112.4Y153 I156 R157 F172 I179 F180 R185 D186 L189Y153-L183 HydrophobicContact CD2-CD2 4.23Å; Y153-L183 HydrophobicContact CE2-CD2 3.6Å; Y153-L183 HydrophobicContact CE2-CG 3.99Å; I156-L183 HydrophobicContact CG2-CD1 3.81Å; I156-L183 HydrophobicContact CG2-CD2 3.99Å; R157-L183 HydrophobicContact CB-CD2 4.33Å; F172-L183 HydrophobicContact CE2-CD1 3.71Å; F172-L183 HydrophobicContact CZ-CD1 3.89Å; I179-L183 HydrophobicContact CG2-CD1 4.18Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.37Å; F180-L183 PolarHBondContact O-N 3.44Å; L183-R185 VanDerWaalsContact C-N 3.29Å; L183-R185 PolarHBondContact O-N 2.97Å; L183-D186 VanDerWaalsContact O-CB 3.31Å; L183-D186 WeakPolarHBondContact O-CB 3.4Å; L183-D186 PolarHBondContact O-N 3.02Å; L183-L189 HydrophobicContact CB-CD1 4.25Å; L183-L189 HydrophobicContact CD2-CD1 4.07Å
184L94.3Very high92.3Very high1 Ų148 Ų481%0.00523%0.229CC..Hα-helixtrans-65-34.3-178.3-74.1-175.8000113.2F160 F180 D186 A197 L201 F219 Y222 R273F160-L184 HydrophobicContact CZ-CD2 4.41Å; F180-L184 HydrophobicContact CD1-CD1 3.94Å; F180-L184 HydrophobicContact CD1-CG 4.35Å; F180-L184 HydrophobicContact CE1-CD1 3.32Å; F180-L184 HydrophobicContact CE1-CG 3.96Å; F180-L184 HydrophobicContact CZ-CD1 4.03Å; F180-L184 HydrophobicContact CZ-CG 4.43Å; F180-L184 PolarHBondContact O-N 3.29Å; F180-L184 VanDerWaalsContact O-N 3.09Å; L184-D186 PolarHBondContact O-N 3.25Å; L184-A197 HydrophobicContact CD2-CB 4.18Å; L184-L201 HydrophobicContact CD1-CB 4.14Å; L184-L201 HydrophobicContact CD1-CD1 4.05Å; L184-L201 HydrophobicContact CD1-CG 4.48Å; L184-F219 HydrophobicContact CD1-CB 4.01Å; L184-Y222 HydrophobicContact CB-CD2 4.27Å; L184-R273 PolarHBondContact O-NH1 2.66Å; L184-R273 VanDerWaalsContact O-NH1 3.09Å
185R95Very high92.5Very high174 Ų17441 Ų4166%0.65720%0.204SC*.Hα-helixtrans-70.8-20175-174.4178.9177.2-168.3-0112.8G181 L183 E187 Y222G181-R185 VanDerWaalsContact O-CB 3.3Å; G181-R185 WeakPolarHBondContact O-CB 3.47Å; G181-R185 PolarHBondContact O-N 2.78Å; G181-R185 VanDerWaalsContact O-N 3.15Å; L183-R185 VanDerWaalsContact C-N 3.29Å; L183-R185 PolarHBondContact O-N 2.97Å; R185-E187 PolarHBondContact O-N 2.95Å; R185-Y222 HydrophobicContact CB-CD1 4.46Å; R185-Y222 HydrophobicContact CB-CD2 3.95Å; R185-Y222 HydrophobicContact CB-CE2 4Å; R185-Y222 HydrophobicContact CB-CG 4.2Å; R185-Y222 HydrophobicContact CG-CD1 4.45Å; R185-Y222 HydrophobicContact CG-CE1 4.3Å
186D94.7Very high92.6Very high28 Ų2842.6 Ų42.615%0.1521%0.212CC..  trans-72.8113.8-178.4-160.9-28.6000110.4Y153 R157 R182 L183 L184 N188 L189Y153-D186 PolarHBondContact OH-OD2 3.17Å; R157-D186 WeakPolarHBondContact CD-OD2 3.4Å; R182-D186 PolarHBondContact O-N 2.88Å; L183-D186 VanDerWaalsContact O-CB 3.31Å; L183-D186 WeakPolarHBondContact O-CB 3.4Å; L183-D186 PolarHBondContact O-N 3.02Å; L184-D186 PolarHBondContact O-N 3.25Å; D186-N188 PolarHBondContact O-N 3.29Å; D186-N188 WeakPolarHBondContact OD1-CB 3.45Å; D186-N188 PolarHBondContact OD1-N 3.2Å; D186-L189 VanDerWaalsContact O-CB 3.24Å; D186-L189 WeakPolarHBondContact O-CB 3.17Å; D186-L189 PolarHBondContact O-N 3.33Å
187E91.9Very high92.7Very high96 Ų9640 Ų4045%0.44920%0.195SC..THydrogen-bonded Turntrans-63.6-26.8176.6-73.1-61.8143.700112.1R185 L189 K274 G275R185-E187 PolarHBondContact O-N 2.95Å; E187-L189 PolarHBondContact O-N 3.41Å; E187-K274 HydrophobicContact CB-CB 4.23Å; E187-K274 HydrophobicContact CB-CD 4.32Å; E187-K274 HydrophobicContact CB-CG 4.47Å; E187-K274 CarbonylContact O-C 3.58Å; E187-K274 WeakPolarHBondContact O-CB 3.26Å; E187-K274 PolarHBondContact O-N 3.29Å; E187-G275 PolarHBondContact O-N 2.83Å
188N92.7Very high92.7Very high47 Ų4738.3 Ų38.325%0.25118%0.184SC..THydrogen-bonded Turntrans-87.615.6178.5-59.1-67.3000113D186 H190D186-N188 PolarHBondContact O-N 3.29Å; D186-N188 WeakPolarHBondContact OD1-CB 3.45Å; D186-N188 PolarHBondContact OD1-N 3.2Å; N188-H190 PolarHBondContact O-CD2 3.31Å; N188-H190 PolarHBondContact O-N 2.86Å
189L94.6Very high92.7Very high0 Ų034.1 Ų34.10%016%0.16CC..  trans-64.8121.7177-169.471.3000111.6R157 F160 L183 D186 E187 V191 G275R157-L189 HydrophobicContact CB-CD1 4.45Å; R157-L189 HydrophobicContact CG-CD1 4.05Å; F160-L189 HydrophobicContact CB-CD1 3.63Å; F160-L189 HydrophobicContact CB-CG 3.92Å; F160-L189 HydrophobicContact CD1-CD1 4.4Å; F160-L189 HydrophobicContact CD1-CD2 3.85Å; F160-L189 HydrophobicContact CD1-CG 4.09Å; F160-L189 HydrophobicContact CD2-CD1 3.63Å; F160-L189 HydrophobicContact CD2-CD2 4.09Å; F160-L189 HydrophobicContact CD2-CG 4.18Å; F160-L189 HydrophobicContact CE1-CD2 3.93Å; F160-L189 HydrophobicContact CE2-CD1 4.32Å; F160-L189 HydrophobicContact CE2-CD2 4.13Å; F160-L189 HydrophobicContact CG-CD1 3.64Å; F160-L189 HydrophobicContact CG-CD2 3.91Å; F160-L189 HydrophobicContact CG-CG 3.81Å; F160-L189 HydrophobicContact CZ-CD2 4.07Å; L183-L189 HydrophobicContact CB-CD1 4.25Å; L183-L189 HydrophobicContact CD2-CD1 4.07Å; D186-L189 VanDerWaalsContact O-CB 3.24Å; D186-L189 WeakPolarHBondContact O-CB 3.17Å; D186-L189 PolarHBondContact O-N 3.33Å; E187-L189 PolarHBondContact O-N 3.41Å; L189-V191 HydrophobicContact CD2-CG1 3.98Å; L189-V191 HydrophobicContact CG-CG1 4.17Å; L189-V191 PolarHBondContact O-N 2.82Å; L189-V191 VanDerWaalsContact O-N 3.08Å; L189-G275 CarbonylContact O-C 3.55Å; L189-G275 VanDerWaalsContact O-C 3.26Å; L189-G275 WeakPolarHBondContact O-CA 3.31Å
190H94.6Very high92.7Very high7 Ų733.5 Ų33.53%0.03216%0.158CC..  trans-78.993.9-179.8-73.3179.8000112.4R157 D158 F160 H161 N188 G275 L277 D351R157-H190 WeakPolarHBondContact O-CB 3.06Å; R157-H190 PolarHBondContact O-N 2.75Å; D158-H190 WeakPolarHBondContact CA-ND1 3.23Å; D158-H190 WeakPolarHBondContact O-CB 3.34Å; D158-H190 PolarHBondContact O-ND1 2.8Å; F160-H190 WeakPolarHBondContact CB-O 3.31Å; H161-H190 PolarHBondContact N-O 2.95Å; N188-H190 PolarHBondContact O-CD2 3.31Å; N188-H190 PolarHBondContact O-N 2.86Å; H190-G275 WeakPolarHBondContact CA-O 3.5Å; H190-G275 PolarHBondContact CD2-O 2.66Å; H190-L277 HydrophobicContact CB-CD1 4.09Å; H190-L277 HydrophobicContact CB-CD2 4.32Å; H190-L277 HydrophobicContact CB-CG 4.17Å; H190-D351 IonicContact CE1-OD1 3.05Å; H190-D351 IonicContact CE1-OD2 3.61Å; H190-D351 PolarHBondContact CE1-OD2 3.07Å; H190-D351 VanDerWaalsContact CE1-OD2 3.29Å; H190-D351 IonicContact NE2-OD1 3.09Å; H190-D351 PolarHBondContact NE2-OD1 2.84Å; H190-D351 VanDerWaalsContact NE2-OD1 3.16Å; H190-D351 IonicContact NE2-OD2 2.74Å; H190-D351 PolarHBondContact NE2-OD2 2.89Å
191V93.3Very high92.7Very high0 Ų033.5 Ų33.50%016%0.158CC..  trans-111.6151.9174.1-66.10000110F160 L189 N193 A197 R273 A276 L277F160-V191 HydrophobicContact CD1-CG1 3.6Å; F160-V191 HydrophobicContact CE1-CG1 4.01Å; L189-V191 HydrophobicContact CD2-CG1 3.98Å; L189-V191 HydrophobicContact CG-CG1 4.17Å; L189-V191 PolarHBondContact O-N 2.82Å; L189-V191 VanDerWaalsContact O-N 3.08Å; V191-N193 VanDerWaalsContact C-N 3.32Å; V191-N193 WeakPolarHBondContact CB-O 3.25Å; V191-A197 HydrophobicContact CG1-CB 4.48Å; V191-R273 HydrophobicContact CG2-CG 3.97Å; V191-A276 HydrophobicContact CG2-CB 4.12Å; V191-A276 CarbonylContact O-C 3.49Å; V191-A276 WeakPolarHBondContact O-CA 3.34Å; V191-L277 WeakPolarHBondContact O-CB 3.47Å; V191-L277 PolarHBondContact O-N 3.36Å
192L90.6Very high92.5Very high71 Ų7133.3 Ų33.337%0.37216%0.155SC..SBendtrans-72.5-32.5169.7-61.6176.9000111.6H161 K579H161-L192 HydrophobicContact CB-CD2 4.35Å; H161-L192 HydrophobicContact CB-CG 3.93Å; L192-K579 HydrophobicContact CD2-CD 4.19Å
193N88.4Confident92.3Very high60 Ų6031.2 Ų31.232%0.32115%0.153SC..SBendtrans-163.4167177.253.828.6000109.3V191 D195 Q196V191-N193 VanDerWaalsContact C-N 3.32Å; V191-N193 WeakPolarHBondContact CB-O 3.25Å; N193-D195 PolarHBondContact O-N 3.18Å; N193-D195 WeakPolarHBondContact OD1-CB 3.22Å; N193-D195 PolarHBondContact OD1-N 3.17Å; N193-Q196 PolarHBondContact O-N 2.86Å; N193-Q196 WeakPolarHBondContact OD1-CG 3.48Å; N193-Q196 PolarHBondContact OD1-N 3.11Å; N193-Q196 VanDerWaalsContact OD1-N 3.15Å
194E89.9Confident92.2Very high1 Ų131.2 Ų31.21%0.00515%0.153CC..Hα-helixtrans-65.6-22.4178.2-160.169.3179.100113.2Q196 A197 L198 I223 N224 A227 V228 R273E194-Q196 PolarHBondContact O-N 3.14Å; E194-A197 WeakPolarHBondContact O-CB 3.36Å; E194-A197 PolarHBondContact O-N 3.26Å; E194-A197 VanDerWaalsContact O-N 3.1Å; E194-L198 PolarHBondContact O-N 2.74Å; E194-L198 VanDerWaalsContact O-N 3.07Å; E194-I223 HydrophobicContact CG-CG2 3.81Å; E194-I223 WeakPolarHBondContact OE1-CA 3.26Å; E194-N224 WeakPolarHBondContact CG-O 3.31Å; E194-N224 PolarHBondContact OE1-N 2.91Å; E194-A227 HydrophobicContact CB-CB 3.7Å; E194-A227 HydrophobicContact CG-CB 4.07Å; E194-V228 HydrophobicContact CB-CG2 3.83Å; E194-V228 HydrophobicContact CG-CG2 3.57Å; E194-R273 IonicContact OE1-CZ 2.63Å; E194-R273 IonicContact OE1-NE 3.26Å; E194-R273 IonicContact OE1-NH2 3.92Å; E194-R273 PolarHBondContact OE1-NH2 3.04Å; E194-R273 IonicContact OE2-CZ 3.25Å; E194-R273 IonicContact OE2-NE 3.84Å; E194-R273 PolarHBondContact OE2-NE 3.46Å; E194-R273 IonicContact OE2-NH2 3.06Å; E194-R273 PolarHBondContact OE2-NH2 3Å
195D89.8Confident92Very high20 Ų2031.1 Ų31.111%0.10715%0.152CC..Hα-helixtrans-57.3-38.5175-64.820.3000112.1N193 L198 S199 V228 S229 T232N193-D195 PolarHBondContact O-N 3.18Å; N193-D195 WeakPolarHBondContact OD1-CB 3.22Å; N193-D195 PolarHBondContact OD1-N 3.17Å; D195-L198 PolarHBondContact O-N 3.28Å; D195-S199 VanDerWaalsContact O-CB 3.23Å; D195-S199 WeakPolarHBondContact O-CB 3.27Å; D195-S199 PolarHBondContact O-N 3.3Å; D195-S199 PolarHBondContact O-OG 3.39Å; D195-V228 VanDerWaalsContact OD1-CA 3.23Å; D195-V228 WeakPolarHBondContact OD1-CA 3.41Å; D195-V228 WeakPolarHBondContact OD1-CG1 3.29Å; D195-S229 PolarHBondContact OD1-N 3.28Å; D195-S229 WeakPolarHBondContact OD2-CB 3.34Å; D195-S229 PolarHBondContact OD2-OG 2.89Å; D195-T232 HydrophobicContact CB-CG2 3.97Å; D195-T232 VanDerWaalsContact CG-OG1 3.25Å; D195-T232 WeakPolarHBondContact OD2-CB 3.36Å; D195-T232 PolarHBondContact OD2-OG1 3.39Å
196Q91.7Very high91.7Very high34 Ų3426.4 Ų26.416%0.15914%0.135CC..Hα-helixtrans-63.4-41.8176.9-75.4-168.5-4600111.6H161 A164 N193 E194 A200H161-Q196 PolarHBondContact O-NE2 3.22Å; A164-Q196 HydrophobicContact CB-CB 4.08Å; N193-Q196 PolarHBondContact O-N 2.86Å; N193-Q196 WeakPolarHBondContact OD1-CG 3.48Å; N193-Q196 PolarHBondContact OD1-N 3.11Å; N193-Q196 VanDerWaalsContact OD1-N 3.15Å; E194-Q196 PolarHBondContact O-N 3.14Å; Q196-A200 WeakPolarHBondContact O-CB 3.41Å; Q196-A200 PolarHBondContact O-N 3.18Å
197A92.8Very high91.5Very high0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-65-45.6178.700000111.4L184 V191 E194 A200 L201L184-A197 HydrophobicContact CD2-CB 4.18Å; V191-A197 HydrophobicContact CG1-CB 4.48Å; E194-A197 WeakPolarHBondContact O-CB 3.36Å; E194-A197 PolarHBondContact O-N 3.26Å; E194-A197 VanDerWaalsContact O-N 3.1Å; A197-A200 PolarHBondContact O-N 2.83Å; A197-L201 PolarHBondContact O-N 2.75Å
198L92Very high91.4Very high0 Ų030.7 Ų30.70%015%0.148CC..Hα-helixtrans-65.6-44.9177.5-177.960000112.6E194 D195 A200 L201 I202 F220 I223 V228 T232 L233 A236E194-L198 PolarHBondContact O-N 2.74Å; E194-L198 VanDerWaalsContact O-N 3.07Å; D195-L198 PolarHBondContact O-N 3.28Å; L198-A200 VanDerWaalsContact C-N 3.31Å; L198-A200 PolarHBondContact O-N 3Å; L198-L201 PolarHBondContact O-N 2.98Å; L198-I202 HydrophobicContact CD1-CD1 4.09Å; L198-I202 HydrophobicContact CD1-CG1 4.35Å; L198-I202 HydrophobicContact CG-CD1 4.01Å; L198-I202 WeakPolarHBondContact O-CG1 3.45Å; L198-I202 PolarHBondContact O-N 2.86Å; L198-F220 HydrophobicContact CD1-CD2 4.08Å; L198-F220 HydrophobicContact CD1-CE2 3.88Å; L198-I223 HydrophobicContact CB-CD1 4.08Å; L198-I223 HydrophobicContact CB-CG2 4.22Å; L198-I223 HydrophobicContact CD1-CD1 3.63Å; L198-I223 HydrophobicContact CG-CD1 4.47Å; L198-V228 HydrophobicContact CD2-CG1 3.85Å; L198-V228 HydrophobicContact CD2-CG2 4.3Å; L198-T232 HydrophobicContact CD2-CG2 4.24Å; L198-L233 HydrophobicContact CD2-CD2 4.39Å; L198-A236 HydrophobicContact CD2-CB 3.94Å; L198-A236 HydrophobicContact CG-CB 4.47Å
199S91.1Very high91.1Very high34 Ų3432.1 Ų32.124%0.23815%0.152CC..Hα-helixtrans-62.4-41.3177.4-58.50000111.2D195 I202 N203D195-S199 VanDerWaalsContact O-CB 3.23Å; D195-S199 WeakPolarHBondContact O-CB 3.27Å; D195-S199 PolarHBondContact O-N 3.3Å; D195-S199 PolarHBondContact O-OG 3.39Å; S199-I202 PolarHBondContact O-N 2.79Å; S199-N203 WeakPolarHBondContact O-CB 3.48Å; S199-N203 PolarHBondContact O-N 2.83Å; S199-N203 PolarHBondContact O-ND2 2.95Å; S199-N203 VanDerWaalsContact O-ND2 3.14Å
200A92.4Very high90.7Very high7 Ų741.4 Ų41.46%0.05820%0.195CC..Hα-helixtrans-63-43.1175.600000112.1F160 A164 Q196 A197 L198 W204F160-A200 HydrophobicContact CE1-CB 4.46Å; F160-A200 HydrophobicContact CZ-CB 4.14Å; A164-A200 HydrophobicContact CB-CB 4.33Å; Q196-A200 WeakPolarHBondContact O-CB 3.41Å; Q196-A200 PolarHBondContact O-N 3.18Å; A197-A200 PolarHBondContact O-N 2.83Å; L198-A200 VanDerWaalsContact C-N 3.31Å; L198-A200 PolarHBondContact O-N 3Å; A200-W204 WeakPolarHBondContact O-CB 3.44Å; A200-W204 PolarHBondContact O-N 2.84Å
201L92.9Very high90.5Very high0 Ų046.3 Ų46.30%022%0.218CC..Hα-helixtrans-58.5-51.6175.5173.560.7000111.7F180 L184 A197 L198 W204 V205 F216 F219 F220 I223F180-L201 HydrophobicContact CE1-CB 4.49Å; F180-L201 HydrophobicContact CE1-CD1 3.83Å; L184-L201 HydrophobicContact CD1-CB 4.14Å; L184-L201 HydrophobicContact CD1-CD1 4.05Å; L184-L201 HydrophobicContact CD1-CG 4.48Å; A197-L201 PolarHBondContact O-N 2.75Å; L198-L201 PolarHBondContact O-N 2.98Å; L201-W204 PolarHBondContact O-N 2.95Å; L201-V205 HydrophobicContact CD1-CG2 4.11Å; L201-V205 WeakPolarHBondContact O-CG2 3.31Å; L201-V205 PolarHBondContact O-N 2.87Å; L201-F216 HydrophobicContact CD2-CD2 4.35Å; L201-F216 HydrophobicContact CD2-CE2 4.09Å; L201-F216 HydrophobicContact CG-CD2 4.26Å; L201-F216 HydrophobicContact CG-CE2 4.17Å; L201-F219 HydrophobicContact CD1-CB 3.57Å; L201-F219 HydrophobicContact CD1-CD2 3.98Å; L201-F219 HydrophobicContact CD1-CG 4.31Å; L201-F219 HydrophobicContact CD2-CB 4.15Å; L201-F220 HydrophobicContact CD2-CB 4.11Å; L201-F220 HydrophobicContact CD2-CD2 4.36Å; L201-I223 HydrophobicContact CB-CD1 4.1Å; L201-I223 HydrophobicContact CD2-CD1 3.47Å; L201-I223 VanDerWaalsContact CD2-CD1 3.47Å; L201-I223 HydrophobicContact CG-CD1 4.43Å
202I90.1Very high90.4Very high3 Ų346.6 Ų46.62%0.01522%0.219CC..Hα-helixtrans-57.5-55.5-179.2-69.7170000109L198 S199 W204 V205 Y206 F216 F235 A236 K239L198-I202 HydrophobicContact CD1-CD1 4.09Å; L198-I202 HydrophobicContact CD1-CG1 4.35Å; L198-I202 HydrophobicContact CG-CD1 4.01Å; L198-I202 WeakPolarHBondContact O-CG1 3.45Å; L198-I202 PolarHBondContact O-N 2.86Å; S199-I202 PolarHBondContact O-N 2.79Å; I202-W204 VanDerWaalsContact C-N 3.28Å; I202-W204 PolarHBondContact O-N 2.99Å; I202-V205 PolarHBondContact O-N 3.24Å; I202-V205 VanDerWaalsContact O-N 3.14Å; I202-Y206 HydrophobicContact CG2-CD2 3.67Å; I202-Y206 HydrophobicContact CG2-CE2 3.74Å; I202-Y206 VanDerWaalsContact O-CD2 3.24Å; I202-Y206 WeakPolarHBondContact O-CD2 3.45Å; I202-Y206 PolarHBondContact O-N 3.08Å; I202-F216 HydrophobicContact CG1-CE2 4.45Å; I202-F235 HydrophobicContact CD1-CE1 4.47Å; I202-F235 HydrophobicContact CG2-CE1 4.41Å; I202-A236 HydrophobicContact CD1-CB 3.55Å; I202-K239 HydrophobicContact CG2-CB 4.44Å
203N90.4Very high90.2Very high72 Ų7245.5 Ų45.539%0.38521%0.212SC..Hα-helixtrans-62.2-36.3-176.3-64.6-26.8000112.5M173 S199 Y206 F207M173-N203 HydrophobicContact CE-CB 3.26Å; M173-N203 HydrophobicContact SD-CB 4.07Å; S199-N203 WeakPolarHBondContact O-CB 3.48Å; S199-N203 PolarHBondContact O-N 2.83Å; S199-N203 PolarHBondContact O-ND2 2.95Å; S199-N203 VanDerWaalsContact O-ND2 3.14Å; N203-Y206 PolarHBondContact O-N 2.83Å; N203-F207 PolarHBondContact O-N 3.1Å; N203-F207 VanDerWaalsContact O-N 3.08Å
204W92.5Very high90.3Very high0 Ų050 Ų500%023%0.229CC..Hα-helixtrans-65.5-40.3176.4179.989000112.3M173 C175 P177 F180 A200 L201 I202 R212 Y215 F219M173-W204 HydrophobicContact SD-CB 4.15Å; C175-W204 PolarHBondContact O-NE1 2.94Å; P177-W204 HydrophobicContact CB-CH2 3.77Å; P177-W204 HydrophobicContact CB-CZ2 4.06Å; P177-W204 HydrophobicContact CG-CH2 3.81Å; P177-W204 HydrophobicContact CG-CZ2 3.89Å; F180-W204 HydrophobicContact CB-CZ2 4.12Å; F180-W204 AromaticContact CD1-CD2 3.86Å; F180-W204 HydrophobicContact CD1-CD2 3.86Å; F180-W204 AromaticContact CD1-CE3 3.91Å; F180-W204 HydrophobicContact CD1-CE3 3.91Å; F180-W204 HydrophobicContact CD1-CG 4.31Å; F180-W204 HydrophobicContact CD1-CZ3 4.29Å; F180-W204 HydrophobicContact CD2-CB 4.33Å; F180-W204 AromaticContact CD2-CD1 3.5Å; F180-W204 VanDerWaalsContact CD2-CD1 3.5Å; F180-W204 AromaticContact CD2-CD2 3.97Å; F180-W204 HydrophobicContact CD2-CD2 3.97Å; F180-W204 AromaticContact CD2-CG 3.7Å; F180-W204 HydrophobicContact CD2-CG 3.7Å; F180-W204 AromaticContact CD2-NE1 3.7Å; F180-W204 HydrophobicContact CE1-CB 4.26Å; F180-W204 AromaticContact CE1-CD2 3.96Å; F180-W204 HydrophobicContact CE1-CD2 3.96Å; F180-W204 AromaticContact CE1-CE3 3.91Å; F180-W204 HydrophobicContact CE1-CE3 3.91Å; F180-W204 HydrophobicContact CE1-CG 4.12Å; F180-W204 HydrophobicContact CE2-CB 3.59Å; F180-W204 AromaticContact CE2-CD1 3.61Å; F180-W204 HydrophobicContact CE2-CD2 4.06Å; F180-W204 AromaticContact CE2-CG 3.47Å; F180-W204 HydrophobicContact CE2-CG 3.47Å; F180-W204 VanDerWaalsContact CE2-CG 3.47Å; F180-W204 AromaticContact CG-CD2 3.87Å; F180-W204 HydrophobicContact CG-CD2 3.87Å; F180-W204 AromaticContact CG-CE2 3.8Å; F180-W204 HydrophobicContact CG-CE3 4.37Å; F180-W204 HydrophobicContact CG-CG 4.12Å; F180-W204 HydrophobicContact CG-CZ2 4.3Å; F180-W204 AromaticContact CG-NE1 3.92Å; F180-W204 HydrophobicContact CZ-CB 3.59Å; F180-W204 HydrophobicContact CZ-CD2 4.08Å; F180-W204 HydrophobicContact CZ-CE3 4.4Å; F180-W204 AromaticContact CZ-CG 3.74Å; F180-W204 HydrophobicContact CZ-CG 3.74Å; A200-W204 WeakPolarHBondContact O-CB 3.44Å; A200-W204 PolarHBondContact O-N 2.84Å; L201-W204 PolarHBondContact O-N 2.95Å; I202-W204 VanDerWaalsContact C-N 3.28Å; I202-W204 PolarHBondContact O-N 2.99Å; W204-R212 VanDerWaalsContact CD1-NH1 3.32Å; W204-R212 VanDerWaalsContact CE2-CZ 3.47Å; W204-R212 HydrophobicContact CE3-CB 4.48Å; W204-R212 HydrophobicContact CH2-CB 4.21Å; W204-R212 HydrophobicContact CH2-CG 3.8Å; W204-R212 HydrophobicContact CZ2-CG 4.18Å; W204-R212 HydrophobicContact CZ3-CB 3.95Å; W204-R212 HydrophobicContact CZ3-CG 4.01Å; W204-R212 WeakPolarHBondContact O-CD 3.42Å; W204-R212 PolarHBondContact O-NH1 2.76Å; W204-Y215 HydrophobicContact CH2-CD2 4.39Å; W204-F219 AromaticContact CH2-CE2 3.84Å; W204-F219 HydrophobicContact CH2-CE2 3.84Å; W204-F219 AromaticContact CZ3-CD2 4Å; W204-F219 HydrophobicContact CZ3-CD2 4Å; W204-F219 AromaticContact CZ3-CE2 3.69Å; W204-F219 HydrophobicContact CZ3-CE2 3.69Å
205V90.7Very high90.3Very high0 Ų053.6 Ų53.60%024%0.243CC..Hα-helixtrans-67.6-46.1175.7172.50000111.2L201 I202 F207 R208 K209 R212 F216L201-V205 HydrophobicContact CD1-CG2 4.11Å; L201-V205 WeakPolarHBondContact O-CG2 3.31Å; L201-V205 PolarHBondContact O-N 2.87Å; I202-V205 PolarHBondContact O-N 3.24Å; I202-V205 VanDerWaalsContact O-N 3.14Å; V205-F207 PolarHBondContact O-N 3.23Å; V205-R208 CarbonylContact O-C 3.52Å; V205-R208 PolarHBondContact O-N 3.26Å; V205-K209 WeakPolarHBondContact O-CA 3.22Å; V205-K209 PolarHBondContact O-N 3.05Å; V205-K209 VanDerWaalsContact O-N 3.16Å; V205-R212 HydrophobicContact CG1-CB 4.38Å; V205-R212 HydrophobicContact CG2-CB 4.4Å; V205-F216 HydrophobicContact CB-CD2 4.44Å; V205-F216 HydrophobicContact CG2-CB 4.33Å; V205-F216 HydrophobicContact CG2-CD2 3.98Å
206Y88.7Confident90.3Very high75 Ų7552.7 Ų52.729%0.29424%0.238SC..Hα-helixtrans-63.6-27.8-179.8-84.3-80000113.9I202 N203 R208 K239 L243I202-Y206 HydrophobicContact CG2-CD2 3.67Å; I202-Y206 HydrophobicContact CG2-CE2 3.74Å; I202-Y206 VanDerWaalsContact O-CD2 3.24Å; I202-Y206 WeakPolarHBondContact O-CD2 3.45Å; I202-Y206 PolarHBondContact O-N 3.08Å; N203-Y206 PolarHBondContact O-N 2.83Å; Y206-R208 PolarHBondContact O-N 2.87Å; Y206-K239 HydrophobicContact CE2-CB 4.14Å; Y206-K239 HydrophobicContact CE2-CD 4.5Å; Y206-K239 VanDerWaalsContact OH-C 3.27Å; Y206-K239 PolarHBondContact OH-O 3.19Å; Y206-L243 HydrophobicContact CE2-CD1 4.35Å
207F90Very high90.1Very high99 Ų9957.6 Ų57.643%0.43426%0.259SS..Hα-helixtrans-61.7-31.1177.6-173.6-102.4000113.3M173 R174 N203 V205M173-F207 HydrophobicContact CB-CB 4.18Å; M173-F207 HydrophobicContact CB-CD1 3.89Å; M173-F207 HydrophobicContact CB-CD2 3.99Å; M173-F207 HydrophobicContact CB-CE1 4.3Å; M173-F207 HydrophobicContact CB-CE2 4.38Å; M173-F207 HydrophobicContact CB-CG 3.74Å; M173-F207 HydrophobicContact CG-CB 4.34Å; M173-F207 HydrophobicContact CG-CD2 4.23Å; M173-F207 HydrophobicContact CG-CG 4.23Å; R174-F207 HydrophobicContact CG-CE1 4.26Å; N203-F207 PolarHBondContact O-N 3.1Å; N203-F207 VanDerWaalsContact O-N 3.08Å; V205-F207 PolarHBondContact O-N 3.23Å
208R89.9Confident90Very high114 Ų11463.3 Ų63.343%0.4328%0.284SS..THydrogen-bonded Turntrans-142.569.3172.9-67.2-173.3-175.2-174.2-0.8110.1V205 Y206 E210 E211 R212V205-R208 CarbonylContact O-C 3.52Å; V205-R208 PolarHBondContact O-N 3.26Å; Y206-R208 PolarHBondContact O-N 2.87Å; R208-E210 VanDerWaalsContact C-N 3.34Å; R208-E210 PolarHBondContact O-N 2.75Å; R208-E211 WeakPolarHBondContact CD-OE2 3.33Å; R208-E211 IonicContact NH1-OE2 3.54Å; R208-E211 PolarHBondContact NH1-OE2 2.63Å; R208-E211 PolarHBondContact O-N 3.26Å; R208-R212 HydrophobicContact CB-CG 4.14Å; R208-R212 VanDerWaalsContact O-CB 3.29Å; R208-R212 WeakPolarHBondContact O-CB 3.44Å; R208-R212 WeakPolarHBondContact O-CG 3.32Å; R208-R212 PolarHBondContact O-N 2.92Å
209K86.6Confident90.1Very high78 Ų7863.7 Ų63.734%0.33929%0.285SS..Hα-helixtrans-49.5-53.1-172.7-171.7-175.4-178.5-173.60112.2V205 E211 R212 E213 G242 L243V205-K209 WeakPolarHBondContact O-CA 3.22Å; V205-K209 PolarHBondContact O-N 3.05Å; V205-K209 VanDerWaalsContact O-N 3.16Å; K209-E211 PolarHBondContact O-N 3.41Å; K209-R212 PolarHBondContact O-N 2.83Å; K209-E213 WeakPolarHBondContact CE-OE2 3.46Å; K209-E213 VanDerWaalsContact O-CB 3.26Å; K209-E213 WeakPolarHBondContact O-CB 3.17Å; K209-E213 PolarHBondContact O-N 2.91Å; K209-G242 PolarHBondContact NZ-O 3.06Å; K209-L243 HydrophobicContact CD-CD2 4.46Å; K209-L243 HydrophobicContact CG-CD2 4.27Å
210E87Confident90Very high194 Ų19462.2 Ų62.291%0.90728%0.275SS*.Hα-helixtrans-56.6-42.7-174.7-61.8178-176.800113.6R208R208-E210 VanDerWaalsContact C-N 3.34Å; R208-E210 PolarHBondContact O-N 2.75Å
211E89.7Confident89.9Confident110 Ų11067.1 Ų67.151%0.51430%0.3SS..Hα-helixtrans-82.5-31-178.5-66.1177177.800112.8R208 K209 K214R208-E211 WeakPolarHBondContact CD-OE2 3.33Å; R208-E211 IonicContact NH1-OE2 3.54Å; R208-E211 PolarHBondContact NH1-OE2 2.63Å; R208-E211 PolarHBondContact O-N 3.26Å; K209-E211 PolarHBondContact O-N 3.41Å; E211-K214 VanDerWaalsContact O-CE 3.31Å; E211-K214 WeakPolarHBondContact O-CE 3.45Å
212R91Very high89.9Confident6 Ų670 Ų702%0.02331%0.311CS..Hα-helixtrans-104.5-19.2-162.6-65.2-179.5177.5177.7-5.9115M173 C175 W204 V205 R208 K209 K214 Y215M173-R212 VanDerWaalsContact O-CZ 3.25Å; M173-R212 PolarHBondContact O-NH1 2.98Å; M173-R212 PolarHBondContact O-NH2 2.97Å; C175-R212 PolarHBondContact O-NH2 2.85Å; W204-R212 VanDerWaalsContact CD1-NH1 3.32Å; W204-R212 VanDerWaalsContact CE2-CZ 3.47Å; W204-R212 HydrophobicContact CE3-CB 4.48Å; W204-R212 HydrophobicContact CH2-CB 4.21Å; W204-R212 HydrophobicContact CH2-CG 3.8Å; W204-R212 HydrophobicContact CZ2-CG 4.18Å; W204-R212 HydrophobicContact CZ3-CB 3.95Å; W204-R212 HydrophobicContact CZ3-CG 4.01Å; W204-R212 WeakPolarHBondContact O-CD 3.42Å; W204-R212 PolarHBondContact O-NH1 2.76Å; V205-R212 HydrophobicContact CG1-CB 4.38Å; V205-R212 HydrophobicContact CG2-CB 4.4Å; R208-R212 HydrophobicContact CB-CG 4.14Å; R208-R212 VanDerWaalsContact O-CB 3.29Å; R208-R212 WeakPolarHBondContact O-CB 3.44Å; R208-R212 WeakPolarHBondContact O-CG 3.32Å; R208-R212 PolarHBondContact O-N 2.92Å; K209-R212 PolarHBondContact O-N 2.83Å; R212-K214 PolarHBondContact O-N 2.88Å; R212-K214 VanDerWaalsContact O-N 3.17Å; R212-Y215 PolarHBondContact O-N 2.74Å
213E87.6Confident90Very high49 Ų4970.4 Ų70.423%0.22931%0.313CS..Hα-helixtrans-53.9-37.6-179.4-176.5159.9-162.700112.2K209 Y215 F216 L243 E244K209-E213 WeakPolarHBondContact CE-OE2 3.46Å; K209-E213 VanDerWaalsContact O-CB 3.26Å; K209-E213 WeakPolarHBondContact O-CB 3.17Å; K209-E213 PolarHBondContact O-N 2.91Å; E213-Y215 PolarHBondContact O-N 2.99Å; E213-Y215 VanDerWaalsContact O-N 3.15Å; E213-F216 VanDerWaalsContact O-CB 3.3Å; E213-F216 WeakPolarHBondContact O-CB 3.28Å; E213-F216 PolarHBondContact O-N 2.79Å; E213-F216 VanDerWaalsContact O-N 3.07Å; E213-L243 HydrophobicContact CG-CD2 4.06Å; E213-L243 WeakPolarHBondContact OE1-CD2 3.44Å; E213-E244 PolarHBondContact OE1-N 2.96Å
214K88.9Confident89.8Confident153 Ų15369.8 Ų69.867%0.66531%0.31SS*.Hα-helixtrans-59.1-25.6175.569.6-172.5-179.5-171.50115E211 R212E211-K214 VanDerWaalsContact O-CE 3.31Å; E211-K214 WeakPolarHBondContact O-CE 3.45Å; R212-K214 PolarHBondContact O-N 2.88Å; R212-K214 VanDerWaalsContact O-N 3.17Å
215Y90.3Very high89.5Confident77 Ų7770.3 Ų70.330%0.30231%0.313SS..Hα-helixtrans-89.3-15.4179.4-60.3-72.9000113P177 W204 R212 E213 K217 K218 F219P177-Y215 HydrophobicContact CB-CD1 4.41Å; P177-Y215 HydrophobicContact CB-CD2 3.99Å; P177-Y215 HydrophobicContact CB-CE1 4.2Å; P177-Y215 HydrophobicContact CB-CE2 3.76Å; P177-Y215 HydrophobicContact CB-CG 4.32Å; P177-Y215 HydrophobicContact CG-CD2 4.14Å; P177-Y215 HydrophobicContact CG-CE2 3.68Å; W204-Y215 HydrophobicContact CH2-CD2 4.39Å; R212-Y215 PolarHBondContact O-N 2.74Å; E213-Y215 PolarHBondContact O-N 2.99Å; E213-Y215 VanDerWaalsContact O-N 3.15Å; Y215-K217 PolarHBondContact O-N 2.94Å; Y215-K218 PolarHBondContact O-N 2.88Å; Y215-K218 VanDerWaalsContact O-N 3.13Å; Y215-F219 HydrophobicContact CD1-CZ 4.23Å; Y215-F219 HydrophobicContact CG-CE2 4.29Å; Y215-F219 HydrophobicContact CG-CZ 4.26Å; Y215-F219 PolarHBondContact O-N 3.48Å
216F89.6Confident89.1Confident2 Ų273.4 Ų73.41%0.00933%0.329CS..Hα-helixtrans-55.9-52.6-172.7-178.1-92.9000111.7L201 I202 V205 E213 K218 F219 F220 L240L201-F216 HydrophobicContact CD2-CD2 4.35Å; L201-F216 HydrophobicContact CD2-CE2 4.09Å; L201-F216 HydrophobicContact CG-CD2 4.26Å; L201-F216 HydrophobicContact CG-CE2 4.17Å; I202-F216 HydrophobicContact CG1-CE2 4.45Å; V205-F216 HydrophobicContact CB-CD2 4.44Å; V205-F216 HydrophobicContact CG2-CB 4.33Å; V205-F216 HydrophobicContact CG2-CD2 3.98Å; E213-F216 VanDerWaalsContact O-CB 3.3Å; E213-F216 WeakPolarHBondContact O-CB 3.28Å; E213-F216 PolarHBondContact O-N 2.79Å; E213-F216 VanDerWaalsContact O-N 3.07Å; F216-K218 VanDerWaalsContact C-N 3.27Å; F216-K218 PolarHBondContact O-N 3.14Å; F216-F219 PolarHBondContact O-N 3.35Å; F216-F219 VanDerWaalsContact O-N 3.15Å; F216-F220 HydrophobicContact CD1-CB 4.43Å; F216-F220 HydrophobicContact CE1-CB 4.08Å; F216-F220 AromaticContact CE1-CD2 3.86Å; F216-F220 HydrophobicContact CE1-CD2 3.86Å; F216-F220 HydrophobicContact CE1-CG 4.06Å; F216-F220 HydrophobicContact CE2-CD2 4.37Å; F216-F220 HydrophobicContact CZ-CB 4.32Å; F216-F220 AromaticContact CZ-CD2 3.53Å; F216-F220 HydrophobicContact CZ-CD2 3.53Å; F216-F220 HydrophobicContact CZ-CE2 4.14Å; F216-F220 HydrophobicContact CZ-CG 4.17Å; F216-F220 WeakPolarHBondContact O-CB 3.46Å; F216-F220 PolarHBondContact O-N 3.29Å; F216-L240 HydrophobicContact CD1-CD2 4.38Å; F216-L240 HydrophobicContact CE1-CD2 3.42Å; F216-L240 VanDerWaalsContact CE1-CD2 3.42Å; F216-L240 HydrophobicContact CE2-CD2 4.14Å; F216-L240 HydrophobicContact CZ-CD2 3.27Å; F216-L240 HydrophobicContact CZ-CG 4.35Å
217K87.5Confident88.9Confident136 Ų13670 Ų7059%0.59132%0.316SS*.Hα-helixtrans-53-43.6178.3179.4171.8-174.4178.50112.6Y215Y215-K217 PolarHBondContact O-N 2.94Å
218K91.3Very high88.7Confident121 Ų12165.3 Ų65.353%0.52630%0.296SS..Hα-helixtrans-67.4-44.7-179-176.9178.1178.9178.10111.6Y215 F216 Y222Y215-K218 PolarHBondContact O-N 2.88Å; Y215-K218 VanDerWaalsContact O-N 3.13Å; F216-K218 VanDerWaalsContact C-N 3.27Å; F216-K218 PolarHBondContact O-N 3.14Å; K218-Y222 WeakPolarHBondContact CE-OH 3.48Å; K218-Y222 HydrophobicContact CG-CE2 4.4Å
219F93.4Very high88.6Confident8 Ų861.8 Ų61.84%0.03529%0.289CS..Hα-helixtrans-79.1-29.4-175.6-63.6-12.5000112.9P177 F180 G181 L184 L201 W204 Y215 F216 N221 Y222P177-F219 VanDerWaalsContact O-CZ 3.3Å; P177-F219 WeakPolarHBondContact O-CZ 3.36Å; F180-F219 AromaticContact CD1-CD2 3.83Å; F180-F219 HydrophobicContact CD1-CD2 3.83Å; F180-F219 AromaticContact CD1-CE2 3.89Å; F180-F219 HydrophobicContact CD1-CE2 3.89Å; F180-F219 HydrophobicContact CE1-CD2 4.19Å; G181-F219 VanDerWaalsContact CA-CE1 3.41Å; L184-F219 HydrophobicContact CD1-CB 4.01Å; L201-F219 HydrophobicContact CD1-CB 3.57Å; L201-F219 HydrophobicContact CD1-CD2 3.98Å; L201-F219 HydrophobicContact CD1-CG 4.31Å; L201-F219 HydrophobicContact CD2-CB 4.15Å; W204-F219 AromaticContact CH2-CE2 3.84Å; W204-F219 HydrophobicContact CH2-CE2 3.84Å; W204-F219 AromaticContact CZ3-CD2 4Å; W204-F219 HydrophobicContact CZ3-CD2 4Å; W204-F219 AromaticContact CZ3-CE2 3.69Å; W204-F219 HydrophobicContact CZ3-CE2 3.69Å; Y215-F219 HydrophobicContact CD1-CZ 4.23Å; Y215-F219 HydrophobicContact CG-CE2 4.29Å; Y215-F219 HydrophobicContact CG-CZ 4.26Å; Y215-F219 PolarHBondContact O-N 3.48Å; F216-F219 PolarHBondContact O-N 3.35Å; F216-F219 VanDerWaalsContact O-N 3.15Å; F219-N221 VanDerWaalsContact C-N 3.25Å; F219-N221 PolarHBondContact O-N 3.46Å; F219-Y222 HydrophobicContact CD1-CD2 4.11Å; F219-Y222 AromaticContact CD1-CE2 3.76Å; F219-Y222 HydrophobicContact CD1-CE2 3.76Å; F219-Y222 HydrophobicContact CE1-CE2 4.37Å; F219-Y222 WeakPolarHBondContact O-CB 3.02Å; F219-Y222 PolarHBondContact O-N 2.91Å
220F90.4Very high88.5Confident3 Ų362.1 Ų62.11%0.01330%0.295CS..Hα-helixtrans-61.7-35.3175-172.4-95.9000111.7L198 L201 F216 Y222 I223 L225 H249 L252 I253L198-F220 HydrophobicContact CD1-CD2 4.08Å; L198-F220 HydrophobicContact CD1-CE2 3.88Å; L201-F220 HydrophobicContact CD2-CB 4.11Å; L201-F220 HydrophobicContact CD2-CD2 4.36Å; F216-F220 HydrophobicContact CD1-CB 4.43Å; F216-F220 HydrophobicContact CE1-CB 4.08Å; F216-F220 AromaticContact CE1-CD2 3.86Å; F216-F220 HydrophobicContact CE1-CD2 3.86Å; F216-F220 HydrophobicContact CE1-CG 4.06Å; F216-F220 HydrophobicContact CE2-CD2 4.37Å; F216-F220 HydrophobicContact CZ-CB 4.32Å; F216-F220 AromaticContact CZ-CD2 3.53Å; F216-F220 HydrophobicContact CZ-CD2 3.53Å; F216-F220 HydrophobicContact CZ-CE2 4.14Å; F216-F220 HydrophobicContact CZ-CG 4.17Å; F216-F220 WeakPolarHBondContact O-CB 3.46Å; F216-F220 PolarHBondContact O-N 3.29Å; F220-Y222 PolarHBondContact O-N 3.4Å; F220-I223 WeakPolarHBondContact O-CB 3.04Å; F220-I223 PolarHBondContact O-N 3.23Å; F220-I223 VanDerWaalsContact O-N 3.1Å; F220-L225 HydrophobicContact CE1-CD1 3.86Å; F220-L225 HydrophobicContact CE1-CD2 4.33Å; F220-L225 HydrophobicContact CE2-CD2 4.11Å; F220-L225 HydrophobicContact CZ-CD1 3.8Å; F220-L225 HydrophobicContact CZ-CD2 3.73Å; F220-L225 HydrophobicContact CZ-CG 4.32Å; F220-H249 HydrophobicContact CD1-CB 4.41Å; F220-H249 AromaticContact CD1-CD2 3.38Å; F220-H249 WeakPolarHBondContact CD1-CD2 3.47Å; F220-H249 HydrophobicContact CE1-CB 4.01Å; F220-H249 AromaticContact CE1-CD2 3.71Å; F220-H249 HydrophobicContact CZ-CB 4.24Å; F220-L252 HydrophobicContact CE1-CD2 4.11Å; F220-I253 HydrophobicContact CE2-CD1 4.34Å; F220-I253 HydrophobicContact CZ-CD1 4.04Å; F220-I253 HydrophobicContact CZ-CG1 4.09Å
221N90.4Very high88.5Confident110 Ų11061.3 Ų61.359%0.58829%0.288SS*.THydrogen-bonded Turntrans-67.3-11.8174.6-68.3-9.2000114.3F219 I223F219-N221 VanDerWaalsContact C-N 3.25Å; F219-N221 PolarHBondContact O-N 3.46Å; N221-I223 VanDerWaalsContact C-N 3.3Å
222Y92.5Very high88.4Confident60 Ų6057 Ų5724%0.23527%0.269CS..THydrogen-bonded Turntrans-891.4174.2-55.2-32.8000112.9L184 R185 K218 F219 F220 R273L184-Y222 HydrophobicContact CB-CD2 4.27Å; R185-Y222 HydrophobicContact CB-CD1 4.46Å; R185-Y222 HydrophobicContact CB-CD2 3.95Å; R185-Y222 HydrophobicContact CB-CE2 4Å; R185-Y222 HydrophobicContact CB-CG 4.2Å; R185-Y222 HydrophobicContact CG-CD1 4.45Å; R185-Y222 HydrophobicContact CG-CE1 4.3Å; K218-Y222 WeakPolarHBondContact CE-OH 3.48Å; K218-Y222 HydrophobicContact CG-CE2 4.4Å; F219-Y222 HydrophobicContact CD1-CD2 4.11Å; F219-Y222 AromaticContact CD1-CE2 3.76Å; F219-Y222 HydrophobicContact CD1-CE2 3.76Å; F219-Y222 HydrophobicContact CE1-CE2 4.37Å; F219-Y222 WeakPolarHBondContact O-CB 3.02Å; F219-Y222 PolarHBondContact O-N 2.91Å; F220-Y222 PolarHBondContact O-N 3.4Å; Y222-R273 PolarHBondContact O-NH2 2.87Å
223I90.7Very high88.1Confident12 Ų1256.7 Ų56.76%0.06227%0.268CS..SBendtrans-105.1129.9-178.9-60.1173.5000108.6E194 L198 L201 F220 N221 L225 V228E194-I223 HydrophobicContact CG-CG2 3.81Å; E194-I223 WeakPolarHBondContact OE1-CA 3.26Å; L198-I223 HydrophobicContact CB-CD1 4.08Å; L198-I223 HydrophobicContact CB-CG2 4.22Å; L198-I223 HydrophobicContact CD1-CD1 3.63Å; L198-I223 HydrophobicContact CG-CD1 4.47Å; L201-I223 HydrophobicContact CB-CD1 4.1Å; L201-I223 HydrophobicContact CD2-CD1 3.47Å; L201-I223 VanDerWaalsContact CD2-CD1 3.47Å; L201-I223 HydrophobicContact CG-CD1 4.43Å; F220-I223 WeakPolarHBondContact O-CB 3.04Å; F220-I223 PolarHBondContact O-N 3.23Å; F220-I223 VanDerWaalsContact O-N 3.1Å; N221-I223 VanDerWaalsContact C-N 3.3Å; I223-L225 HydrophobicContact CG2-CD2 4.25Å; I223-L225 PolarHBondContact O-N 3.15Å; I223-V228 HydrophobicContact CG2-CG2 4.08Å
224N87.8Confident88Confident58 Ų5859 Ų5931%0.3128%0.28SS..  trans-83.994.2173.8-168.1-11.6000110.8E194 N226 A227 Y271E194-N224 WeakPolarHBondContact CG-O 3.31Å; E194-N224 PolarHBondContact OE1-N 2.91Å; N224-N226 PolarHBondContact O-N 3.48Å; N224-N226 VanDerWaalsContact O-N 3.08Å; N224-N226 WeakPolarHBondContact OD1-CB 3.46Å; N224-N226 PolarHBondContact OD1-N 3.07Å; N224-A227 HydrophobicContact CB-CB 4.27Å; N224-A227 WeakPolarHBondContact O-CB 3.28Å; N224-A227 PolarHBondContact O-N 3.2Å; N224-Y271 PolarHBondContact ND2-O 3.06Å
225L85Confident87.8Confident12 Ų1255.8 Ų55.86%0.06327%0.266CS..G310 helixtrans-56.9-28.3-178.7-60.4-178.7000113.7F220 I223 A227 V228 L233 L252 I253 V256 R260F220-L225 HydrophobicContact CE1-CD1 3.86Å; F220-L225 HydrophobicContact CE1-CD2 4.33Å; F220-L225 HydrophobicContact CE2-CD2 4.11Å; F220-L225 HydrophobicContact CZ-CD1 3.8Å; F220-L225 HydrophobicContact CZ-CD2 3.73Å; F220-L225 HydrophobicContact CZ-CG 4.32Å; I223-L225 HydrophobicContact CG2-CD2 4.25Å; I223-L225 PolarHBondContact O-N 3.15Å; L225-A227 PolarHBondContact O-N 2.99Å; L225-V228 PolarHBondContact O-N 3.1Å; L225-V228 VanDerWaalsContact O-N 3.14Å; L225-L233 HydrophobicContact CD2-CD2 4.16Å; L225-L252 HydrophobicContact CD1-CD2 3.51Å; L225-L252 HydrophobicContact CD1-CG 3.97Å; L225-I253 HydrophobicContact CD1-CG1 4.37Å; L225-V256 HydrophobicContact CB-CG2 4.32Å; L225-R260 PolarHBondContact O-NH2 3.49Å
226N83.6Confident87.6Confident64 Ų6452.1 Ų52.134%0.34225%0.252SS..G310 helixtrans-68.1-19.2176.9-68-22.6000113N224 R260 Y271N224-N226 PolarHBondContact O-N 3.48Å; N224-N226 VanDerWaalsContact O-N 3.08Å; N224-N226 WeakPolarHBondContact OD1-CB 3.46Å; N224-N226 PolarHBondContact OD1-N 3.07Å; N226-R260 PolarHBondContact O-NH2 3.15Å; N226-Y271 HydrophobicContact CB-CD1 3.7Å; N226-Y271 HydrophobicContact CB-CD2 4.31Å; N226-Y271 HydrophobicContact CB-CE1 4.21Å; N226-Y271 HydrophobicContact CB-CG 3.75Å
227A83.9Confident87.2Confident3 Ų352.7 Ų52.73%0.02526%0.256CS..G310 helixtrans-92.6-7.1175.400000113.9E194 N224 L225 Y271 Q272E194-A227 HydrophobicContact CB-CB 3.7Å; E194-A227 HydrophobicContact CG-CB 4.07Å; N224-A227 HydrophobicContact CB-CB 4.27Å; N224-A227 WeakPolarHBondContact O-CB 3.28Å; N224-A227 PolarHBondContact O-N 3.2Å; L225-A227 PolarHBondContact O-N 2.99Å; A227-Y271 WeakPolarHBondContact CB-O 3.27Å; A227-Q272 PolarHBondContact O-NE2 2.8Å
228V86.2Confident87Confident1 Ų151.6 Ų51.61%0.00626%0.256CS..SBendtrans-88.6139.4-177.7-178.50000110.9E194 D195 L198 I223 L225 T232 L233 R260E194-V228 HydrophobicContact CB-CG2 3.83Å; E194-V228 HydrophobicContact CG-CG2 3.57Å; D195-V228 VanDerWaalsContact OD1-CA 3.23Å; D195-V228 WeakPolarHBondContact OD1-CA 3.41Å; D195-V228 WeakPolarHBondContact OD1-CG1 3.29Å; L198-V228 HydrophobicContact CD2-CG1 3.85Å; L198-V228 HydrophobicContact CD2-CG2 4.3Å; I223-V228 HydrophobicContact CG2-CG2 4.08Å; L225-V228 PolarHBondContact O-N 3.1Å; L225-V228 VanDerWaalsContact O-N 3.14Å; V228-T232 HydrophobicContact CG1-CG2 3.96Å; V228-L233 HydrophobicContact CB-CD2 3.98Å; V228-L233 HydrophobicContact CB-CG 4.11Å; V228-L233 HydrophobicContact CG1-CD2 3.83Å; V228-L233 HydrophobicContact CG1-CG 3.8Å; V228-R260 PolarHBondContact O-NH1 2.84Å; V228-R260 PolarHBondContact O-NH2 3.31Å
229S86.4Confident86.5Confident41 Ų4150.3 Ų50.329%0.28725%0.251SS..  trans-68.2152.1177.4820000113.2D195 K231 T232 L233D195-S229 PolarHBondContact OD1-N 3.28Å; D195-S229 WeakPolarHBondContact OD2-CB 3.34Å; D195-S229 PolarHBondContact OD2-OG 2.89Å; S229-K231 PolarHBondContact O-N 3.29Å; S229-T232 PolarHBondContact O-N 3.27Å; S229-T232 VanDerWaalsContact O-N 3.14Å; S229-T232 PolarHBondContact OG-N 2.81Å; S229-T232 PolarHBondContact OG-OG1 2.98Å; S229-L233 WeakPolarHBondContact O-CG 3.45Å; S229-L233 PolarHBondContact O-N 3.37Å
230N85.7Confident85.6Confident85 Ų8550.2 Ų50.246%0.45525%0.251SS..Hα-helixtrans-57.2-35.3177.9-68.9-8.5000112.4T232 L233 M234 L257 R260N230-T232 PolarHBondContact O-N 2.94Å; N230-L233 PolarHBondContact O-N 3.28Å; N230-M234 VanDerWaalsContact O-CG 3.26Å; N230-M234 WeakPolarHBondContact O-CG 3.46Å; N230-M234 PolarHBondContact O-N 2.69Å; N230-L257 HydrophobicContact CB-CD2 4.08Å; N230-R260 WeakPolarHBondContact OD1-CD 3.42Å; N230-R260 PolarHBondContact OD1-NH1 3.08Å
231K87.4Confident84.5Confident177 Ų17755.6 Ų55.677%0.7728%0.284SS*.Hα-helixtrans-61.4-46.3178.5-177.7-177.6176.9-176.60111.1S229 F235S229-K231 PolarHBondContact O-N 3.29Å; K231-F235 PolarHBondContact O-N 3.23Å; K231-F235 VanDerWaalsContact O-N 3.08Å
232T86.3Confident83.4Confident18 Ų1852.3 Ų52.311%0.1128%0.276CS..Hα-helixtrans-73.6-35.7-177.9-56.10000111.4D195 L198 V228 S229 N230 F235 A236D195-T232 HydrophobicContact CB-CG2 3.97Å; D195-T232 VanDerWaalsContact CG-OG1 3.25Å; D195-T232 WeakPolarHBondContact OD2-CB 3.36Å; D195-T232 PolarHBondContact OD2-OG1 3.39Å; L198-T232 HydrophobicContact CD2-CG2 4.24Å; V228-T232 HydrophobicContact CG1-CG2 3.96Å; S229-T232 PolarHBondContact O-N 3.27Å; S229-T232 VanDerWaalsContact O-N 3.14Å; S229-T232 PolarHBondContact OG-N 2.81Å; S229-T232 PolarHBondContact OG-OG1 2.98Å; N230-T232 PolarHBondContact O-N 2.94Å; T232-F235 PolarHBondContact O-N 3.42Å; T232-A236 WeakPolarHBondContact O-CB 3.32Å; T232-A236 PolarHBondContact O-N 2.94Å
233L85.9Confident82.1Confident0 Ų050 Ų500%027%0.268CS..Hα-helixtrans-60.8-45.4172.1-71.8177.1000112.3L198 L225 V228 S229 N230 F235 A236 S237 I253 V256 L257L198-L233 HydrophobicContact CD2-CD2 4.39Å; L225-L233 HydrophobicContact CD2-CD2 4.16Å; V228-L233 HydrophobicContact CB-CD2 3.98Å; V228-L233 HydrophobicContact CB-CG 4.11Å; V228-L233 HydrophobicContact CG1-CD2 3.83Å; V228-L233 HydrophobicContact CG1-CG 3.8Å; S229-L233 WeakPolarHBondContact O-CG 3.45Å; S229-L233 PolarHBondContact O-N 3.37Å; N230-L233 PolarHBondContact O-N 3.28Å; L233-F235 PolarHBondContact O-N 3.45Å; L233-A236 PolarHBondContact O-N 3.01Å; L233-S237 PolarHBondContact O-N 3.3Å; L233-I253 HydrophobicContact CB-CG2 3.9Å; L233-I253 HydrophobicContact CD2-CG1 4.29Å; L233-I253 HydrophobicContact CD2-CG2 4.15Å; L233-V256 HydrophobicContact CD1-CG1 4.2Å; L233-L257 HydrophobicContact CB-CD1 4.43Å; L233-L257 HydrophobicContact CB-CD2 4.14Å; L233-L257 HydrophobicContact CB-CG 4.41Å; L233-L257 HydrophobicContact CD1-CD2 3.9Å; L233-L257 HydrophobicContact CD1-CG 4.24Å
234M84.8Confident80.5Confident98 Ų9857 Ų5748%0.48330%0.3SS..Hα-helixtrans-63.1-41.8175.9-70.5-63.2-64.800112N230 A236 S237 N238 L257N230-M234 VanDerWaalsContact O-CG 3.26Å; N230-M234 WeakPolarHBondContact O-CG 3.46Å; N230-M234 PolarHBondContact O-N 2.69Å; M234-A236 VanDerWaalsContact C-N 3.34Å; M234-S237 PolarHBondContact O-N 3.09Å; M234-N238 PolarHBondContact O-N 2.99Å; M234-N238 VanDerWaalsContact O-N 3.08Å; M234-L257 HydrophobicContact CG-CD1 4.43Å; M234-L257 HydrophobicContact SD-CD1 3.67Å
235F85.5Confident79.3Confident85 Ų8561.9 Ų61.937%0.37333%0.327SS..Hα-helixtrans-60-44.5173.5170.5-98.3000112I202 K231 T232 L233 N238 K239I202-F235 HydrophobicContact CD1-CE1 4.47Å; I202-F235 HydrophobicContact CG2-CE1 4.41Å; K231-F235 PolarHBondContact O-N 3.23Å; K231-F235 VanDerWaalsContact O-N 3.08Å; T232-F235 PolarHBondContact O-N 3.42Å; L233-F235 PolarHBondContact O-N 3.45Å; F235-N238 PolarHBondContact O-N 3.46Å; F235-K239 HydrophobicContact CE1-CG 4.32Å; F235-K239 HydrophobicContact CE2-CG 4.19Å; F235-K239 HydrophobicContact CZ-CG 4.01Å; F235-K239 PolarHBondContact O-N 2.91Å; F235-K239 VanDerWaalsContact O-N 3.17Å
236A84.5Confident78.3Confident0 Ų062 Ų620%033%0.327CS..Hα-helixtrans-62.4-46.2177.600000111.6L198 I202 T232 L233 M234 N238 K239 L240 I253L198-A236 HydrophobicContact CD2-CB 3.94Å; L198-A236 HydrophobicContact CG-CB 4.47Å; I202-A236 HydrophobicContact CD1-CB 3.55Å; T232-A236 WeakPolarHBondContact O-CB 3.32Å; T232-A236 PolarHBondContact O-N 2.94Å; L233-A236 PolarHBondContact O-N 3.01Å; M234-A236 VanDerWaalsContact C-N 3.34Å; A236-N238 PolarHBondContact O-N 2.94Å; A236-K239 PolarHBondContact O-N 2.96Å; A236-K239 VanDerWaalsContact O-N 3.14Å; A236-L240 WeakPolarHBondContact O-CB 3.48Å; A236-L240 WeakPolarHBondContact O-CD1 3.37Å; A236-L240 WeakPolarHBondContact O-CG 3.25Å; A236-L240 PolarHBondContact O-N 3.33Å; A236-I253 HydrophobicContact CB-CD1 4.06Å
237S82.6Confident77.5Confident14 Ų1463.4 Ų63.410%0.09834%0.342CS..Hα-helixtrans-57.1-47.9177.3-174.40000111.7L233 M234 K239 L240 T241L233-S237 PolarHBondContact O-N 3.3Å; M234-S237 PolarHBondContact O-N 3.09Å; S237-K239 VanDerWaalsContact C-N 3.26Å; S237-K239 PolarHBondContact O-N 3.08Å; S237-L240 PolarHBondContact O-N 2.97Å; S237-T241 PolarHBondContact O-N 2.92Å
238N82.5Confident77.1Confident113 Ų11366.5 Ų66.560%0.60437%0.367SS*.Hα-helixtrans-63.1-28.1178.1-72.7-14.7000114.1M234 F235 A236 T241M234-N238 PolarHBondContact O-N 2.99Å; M234-N238 VanDerWaalsContact O-N 3.08Å; F235-N238 PolarHBondContact O-N 3.46Å; A236-N238 PolarHBondContact O-N 2.94Å; N238-T241 PolarHBondContact O-OG1 3.15Å
239K80Confident76.7Confident95 Ų9567.2 Ų67.241%0.41337%0.371SS..Hα-helixtrans-80.6-43.9175.4-74.9-71-176.11790110.7I202 Y206 F235 A236 S237 T241 G242I202-K239 HydrophobicContact CG2-CB 4.44Å; Y206-K239 HydrophobicContact CE2-CB 4.14Å; Y206-K239 HydrophobicContact CE2-CD 4.5Å; Y206-K239 VanDerWaalsContact OH-C 3.27Å; Y206-K239 PolarHBondContact OH-O 3.19Å; F235-K239 HydrophobicContact CE1-CG 4.32Å; F235-K239 HydrophobicContact CE2-CG 4.19Å; F235-K239 HydrophobicContact CZ-CG 4.01Å; F235-K239 PolarHBondContact O-N 2.91Å; F235-K239 VanDerWaalsContact O-N 3.17Å; A236-K239 PolarHBondContact O-N 2.96Å; A236-K239 VanDerWaalsContact O-N 3.14Å; S237-K239 VanDerWaalsContact C-N 3.26Å; S237-K239 PolarHBondContact O-N 3.08Å; K239-T241 PolarHBondContact O-N 3.43Å; K239-T241 VanDerWaalsContact O-N 3.16Å; K239-G242 PolarHBondContact O-N 2.85Å
240L74.4Confident76.3Confident6 Ų666 Ų663%0.03136%0.363CS..Hα-helixtrans-58.2-27.9-177.7-77.5168.2000114.1F216 A236 S237 G242 L243 N246 I253F216-L240 HydrophobicContact CD1-CD2 4.38Å; F216-L240 HydrophobicContact CE1-CD2 3.42Å; F216-L240 VanDerWaalsContact CE1-CD2 3.42Å; F216-L240 HydrophobicContact CE2-CD2 4.14Å; F216-L240 HydrophobicContact CZ-CD2 3.27Å; F216-L240 HydrophobicContact CZ-CG 4.35Å; A236-L240 WeakPolarHBondContact O-CB 3.48Å; A236-L240 WeakPolarHBondContact O-CD1 3.37Å; A236-L240 WeakPolarHBondContact O-CG 3.25Å; A236-L240 PolarHBondContact O-N 3.33Å; S237-L240 PolarHBondContact O-N 2.97Å; L240-G242 PolarHBondContact O-N 3.17Å; L240-G242 VanDerWaalsContact O-N 3.15Å; L240-L243 HydrophobicContact CD2-CD1 3.83Å; L240-L243 PolarHBondContact O-N 3.26Å; L240-L243 VanDerWaalsContact O-N 3.09Å; L240-N246 HydrophobicContact CD2-CB 4.27Å; L240-I253 HydrophobicContact CD1-CD1 3.43Å; L240-I253 VanDerWaalsContact CD1-CD1 3.43Å
241T68.9Low76Confident115 Ų11565.9 Ų65.971%0.70637%0.366SS*.THydrogen-bonded Turntrans-59.3-20.717353.90000113.7S237 N238 K239S237-T241 PolarHBondContact O-N 2.92Å; N238-T241 PolarHBondContact O-OG1 3.15Å; K239-T241 PolarHBondContact O-N 3.43Å; K239-T241 VanDerWaalsContact O-N 3.16Å
242G66.1Low75.8Confident42 Ų4261.4 Ų61.443%0.43335%0.35SS..THydrogen-bonded Turntrans-92.24.9176.200000115.7K209 K239 L240K209-G242 PolarHBondContact NZ-O 3.06Å; K239-G242 PolarHBondContact O-N 2.85Å; L240-G242 PolarHBondContact O-N 3.17Å; L240-G242 VanDerWaalsContact O-N 3.15Å
243L66.8Low75.6Confident11 Ų1160.5 Ų60.56%0.05834%0.344CS..SBendtrans-107129.1176-69.4163000109.6Y206 K209 E213 L240 N246Y206-L243 HydrophobicContact CE2-CD1 4.35Å; K209-L243 HydrophobicContact CD-CD2 4.46Å; K209-L243 HydrophobicContact CG-CD2 4.27Å; E213-L243 HydrophobicContact CG-CD2 4.06Å; E213-L243 WeakPolarHBondContact OE1-CD2 3.44Å; L240-L243 HydrophobicContact CD2-CD1 3.83Å; L240-L243 PolarHBondContact O-N 3.26Å; L240-L243 VanDerWaalsContact O-N 3.09Å; L243-N246 HydrophobicContact CB-CB 4.41Å
244E56.6Low75.3Confident159 Ų15965 Ų6574%0.74337%0.366SS*.THydrogen-bonded Turntrans-73.9135.1179.3-65.5-17917600108.1E213E213-E244 PolarHBondContact OE1-N 2.96Å
245N61.1Low75.3Confident161 Ų16162.6 Ų62.686%0.86136%0.358SS*.THydrogen-bonded Turntrans76.418.3-179.1-58.5-37.9000119.3
246N65.4Low75.1Confident14 Ų1459.1 Ų59.18%0.07534%0.344CS..  trans-110.119.3178.2-76-39.8000116.3L240 L243 A248 H249 A250L240-N246 HydrophobicContact CD2-CB 4.27Å; L243-N246 HydrophobicContact CB-CB 4.41Å; N246-A248 PolarHBondContact O-N 2.87Å; N246-H249 PolarHBondContact O-N 2.8Å; N246-H249 PolarHBondContact OD1-CE1 2.84Å; N246-H249 VanDerWaalsContact OD1-CE1 3.24Å; N246-H249 PolarHBondContact OD1-ND1 3.07Å; N246-A250 PolarHBondContact O-N 2.57Å
247S66Low75Confident93 Ų9360.2 Ų60.265%0.6535%0.349SS*.Hα-helixtrans-53.1-40.4177.457.40000112.9H249 A250 T251S247-H249 VanDerWaalsContact C-N 3.32Å; S247-H249 PolarHBondContact O-N 2.83Å; S247-A250 PolarHBondContact O-N 3.05Å; S247-T251 PolarHBondContact O-N 2.88Å; S247-T251 PolarHBondContact O-OG1 3.47Å
248A75.8Confident74.9Confident68 Ų6865 Ų6556%0.56237%0.371SS*.Hα-helixtrans-60.7-36.7177.900000113.6N246 L252N246-A248 PolarHBondContact O-N 2.87Å; A248-L252 WeakPolarHBondContact O-CB 3.35Å; A248-L252 PolarHBondContact O-N 3.14Å
249H78.8Confident74.7Confident16 Ų1663.7 Ų63.77%0.07437%0.365CS..Hα-helixtrans-74.5-35.1178.3-56.6106.2000111.5F220 N246 S247 L252 I253F220-H249 HydrophobicContact CD1-CB 4.41Å; F220-H249 AromaticContact CD1-CD2 3.38Å; F220-H249 WeakPolarHBondContact CD1-CD2 3.47Å; F220-H249 HydrophobicContact CE1-CB 4.01Å; F220-H249 AromaticContact CE1-CD2 3.71Å; F220-H249 HydrophobicContact CZ-CB 4.24Å; N246-H249 PolarHBondContact O-N 2.8Å; N246-H249 PolarHBondContact OD1-CE1 2.84Å; N246-H249 VanDerWaalsContact OD1-CE1 3.24Å; N246-H249 PolarHBondContact OD1-ND1 3.07Å; S247-H249 VanDerWaalsContact C-N 3.32Å; S247-H249 PolarHBondContact O-N 2.83Å; H249-L252 PolarHBondContact O-N 3.07Å; H249-I253 WeakPolarHBondContact O-CG1 3.33Å; H249-I253 PolarHBondContact O-N 2.84Å; H249-I253 VanDerWaalsContact O-N 3.07Å
250A76.8Confident74.5Confident16 Ų1662.2 Ų62.213%0.13236%0.357CS..Hα-helixtrans-64.4-44.5172.400000111.1N246 S247 L252 I253 E254N246-A250 PolarHBondContact O-N 2.57Å; S247-A250 PolarHBondContact O-N 3.05Å; A250-L252 VanDerWaalsContact C-N 3.32Å; A250-L252 PolarHBondContact O-N 3.14Å; A250-I253 PolarHBondContact O-N 3.34Å; A250-E254 WeakPolarHBondContact O-CG 3.42Å; A250-E254 PolarHBondContact O-N 3.06Å
251T80.1Confident74.4Confident83 Ų8370.5 Ų70.551%0.50939%0.392SS..Hα-helixtrans-61.9-38175.1-50.90000112.3S247 E254 S255S247-T251 PolarHBondContact O-N 2.88Å; S247-T251 PolarHBondContact O-OG1 3.47Å; T251-E254 PolarHBondContact O-N 3.28Å; T251-S255 PolarHBondContact O-N 3.22Å
252L82Confident74.5Confident82 Ų8272.9 Ų72.943%0.42940%0.395SS..Hα-helixtrans-65-38.4175.2-167.978.3000112.1F220 L225 A248 H249 A250 S255 V256F220-L252 HydrophobicContact CE1-CD2 4.11Å; L225-L252 HydrophobicContact CD1-CD2 3.51Å; L225-L252 HydrophobicContact CD1-CG 3.97Å; A248-L252 WeakPolarHBondContact O-CB 3.35Å; A248-L252 PolarHBondContact O-N 3.14Å; H249-L252 PolarHBondContact O-N 3.07Å; A250-L252 VanDerWaalsContact C-N 3.32Å; A250-L252 PolarHBondContact O-N 3.14Å; L252-S255 PolarHBondContact O-OG 3.02Å; L252-V256 WeakPolarHBondContact O-CG2 3.47Å; L252-V256 PolarHBondContact O-N 3.27Å; L252-V256 VanDerWaalsContact O-N 3.17Å
253I82.1Confident74.3Confident0 Ų077.5 Ų77.50%041%0.406CS..Hα-helixtrans-65.5-43.2174.3-70.2168.6000110.3F220 L225 L233 A236 L240 H249 A250 V256 L257F220-I253 HydrophobicContact CE2-CD1 4.34Å; F220-I253 HydrophobicContact CZ-CD1 4.04Å; F220-I253 HydrophobicContact CZ-CG1 4.09Å; L225-I253 HydrophobicContact CD1-CG1 4.37Å; L233-I253 HydrophobicContact CB-CG2 3.9Å; L233-I253 HydrophobicContact CD2-CG1 4.29Å; L233-I253 HydrophobicContact CD2-CG2 4.15Å; A236-I253 HydrophobicContact CB-CD1 4.06Å; L240-I253 HydrophobicContact CD1-CD1 3.43Å; L240-I253 VanDerWaalsContact CD1-CD1 3.43Å; H249-I253 WeakPolarHBondContact O-CG1 3.33Å; H249-I253 PolarHBondContact O-N 2.84Å; H249-I253 VanDerWaalsContact O-N 3.07Å; A250-I253 PolarHBondContact O-N 3.34Å; I253-V256 PolarHBondContact O-N 2.92Å; I253-L257 HydrophobicContact CG2-CD1 3.95Å; I253-L257 HydrophobicContact CG2-CG 4.45Å; I253-L257 VanDerWaalsContact O-CG 3.3Å; I253-L257 WeakPolarHBondContact O-CG 3.49Å; I253-L257 PolarHBondContact O-N 3.3Å
254E81.3Confident73.7Confident95 Ų9587.9 Ų87.944%0.44444%0.444SS..Hα-helixtrans-62.7-41.3177.4-73175.4178.800112.1A250 T251 L257 M258A250-E254 WeakPolarHBondContact O-CG 3.42Å; A250-E254 PolarHBondContact O-N 3.06Å; T251-E254 PolarHBondContact O-N 3.28Å; E254-L257 PolarHBondContact O-N 3.21Å; E254-M258 WeakPolarHBondContact O-CG 3.49Å; E254-M258 PolarHBondContact O-N 2.98Å
255S83.1Confident73.5Confident46 Ų4686.5 Ų86.532%0.32245%0.449SS..Hα-helixtrans-62.7-45.917771.50000111.6T251 L252 L257 M258 D259T251-S255 PolarHBondContact O-N 3.22Å; L252-S255 PolarHBondContact O-OG 3.02Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 3.25Å; S255-M258 WeakPolarHBondContact O-CB 3.49Å; S255-M258 PolarHBondContact O-N 3.21Å; S255-D259 VanDerWaalsContact O-CG 3.32Å; S255-D259 PolarHBondContact O-N 3.16Å
256V82.6Confident73.1Confident12 Ų1282.2 Ų82.27%0.07343%0.431CS..Hα-helixtrans-60.9-391761730000111.4L225 L233 L252 I253 M258 R260L225-V256 HydrophobicContact CB-CG2 4.32Å; L233-V256 HydrophobicContact CD1-CG1 4.2Å; L252-V256 WeakPolarHBondContact O-CG2 3.47Å; L252-V256 PolarHBondContact O-N 3.27Å; L252-V256 VanDerWaalsContact O-N 3.17Å; I253-V256 PolarHBondContact O-N 2.92Å; V256-M258 VanDerWaalsContact C-N 3.32Å; V256-R260 VanDerWaalsContact O-CG 3.31Å; V256-R260 WeakPolarHBondContact O-CG 3.32Å; V256-R260 PolarHBondContact O-N 2.77Å
257L82.4Confident73Confident23 Ų2383.9 Ų83.912%0.1244%0.443CS..Hα-helixtrans-67.8-31175.5-72.5171.2000112.7N230 L233 M234 I253 E254 S255 K261N230-L257 HydrophobicContact CB-CD2 4.08Å; L233-L257 HydrophobicContact CB-CD1 4.43Å; L233-L257 HydrophobicContact CB-CD2 4.14Å; L233-L257 HydrophobicContact CB-CG 4.41Å; L233-L257 HydrophobicContact CD1-CD2 3.9Å; L233-L257 HydrophobicContact CD1-CG 4.24Å; M234-L257 HydrophobicContact CG-CD1 4.43Å; M234-L257 HydrophobicContact SD-CD1 3.67Å; I253-L257 HydrophobicContact CG2-CD1 3.95Å; I253-L257 HydrophobicContact CG2-CG 4.45Å; I253-L257 VanDerWaalsContact O-CG 3.3Å; I253-L257 WeakPolarHBondContact O-CG 3.49Å; I253-L257 PolarHBondContact O-N 3.3Å; E254-L257 PolarHBondContact O-N 3.21Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 3.25Å; L257-K261 WeakPolarHBondContact O-CG 3.41Å
258M79.4Confident72.8Confident114 Ų11483.8 Ų83.856%0.56244%0.435SS*.Hα-helixtrans-74.5-46.2174.7-72.4-170.3-177.200111.8E254 S255 V256 R260 K261 Q262E254-M258 WeakPolarHBondContact O-CG 3.49Å; E254-M258 PolarHBondContact O-N 2.98Å; S255-M258 WeakPolarHBondContact O-CB 3.49Å; S255-M258 PolarHBondContact O-N 3.21Å; V256-M258 VanDerWaalsContact C-N 3.32Å; M258-R260 VanDerWaalsContact C-N 3.29Å; M258-R260 PolarHBondContact O-N 2.88Å; M258-K261 WeakPolarHBondContact O-CB 3.37Å; M258-K261 PolarHBondContact O-N 3.28Å; M258-Q262 PolarHBondContact O-N 3.48Å
259D79.8Confident72.4Confident86 Ų8681.9 Ų81.946%0.4642%0.416SS..Hα-helixtrans-59.2-41.4179.6-67.7-16.1000111.2S255 K261 Q262 E263S255-D259 VanDerWaalsContact O-CG 3.32Å; S255-D259 PolarHBondContact O-N 3.16Å; D259-K261 PolarHBondContact O-N 2.99Å; D259-Q262 PolarHBondContact O-N 3.37Å; D259-E263 PolarHBondContact O-N 2.85Å
260R75.6Confident71.9Confident65 Ų6585 Ų8525%0.24544%0.439CS..Hα-helixtrans-63.1-22.1175.1-75.9177.91761801.7114.9L225 N226 V228 N230 V256 M258 Q262L225-R260 PolarHBondContact O-NH2 3.49Å; N226-R260 PolarHBondContact O-NH2 3.15Å; V228-R260 PolarHBondContact O-NH1 2.84Å; V228-R260 PolarHBondContact O-NH2 3.31Å; N230-R260 WeakPolarHBondContact OD1-CD 3.42Å; N230-R260 PolarHBondContact OD1-NH1 3.08Å; V256-R260 VanDerWaalsContact O-CG 3.31Å; V256-R260 WeakPolarHBondContact O-CG 3.32Å; V256-R260 PolarHBondContact O-N 2.77Å; M258-R260 VanDerWaalsContact C-N 3.29Å; M258-R260 PolarHBondContact O-N 2.88Å; R260-Q262 VanDerWaalsContact C-N 3.33Å
261K72.3Confident71.9Confident179 Ų17987.8 Ų87.878%0.77845%0.447SS*.Hα-helixtrans-79.4-21.1173.2-68.7176-176.7179.10111.6L257 M258 D259L257-K261 WeakPolarHBondContact O-CG 3.41Å; M258-K261 WeakPolarHBondContact O-CB 3.37Å; M258-K261 PolarHBondContact O-N 3.28Å; D259-K261 PolarHBondContact O-N 2.99Å
262Q71.1Confident72Confident165 Ų16584.9 Ų84.977%0.77143%0.427SS*.Hα-helixtrans-97.3-32.7-175.5-62.2-173.912.100112.9M258 D259 R260M258-Q262 PolarHBondContact O-N 3.48Å; D259-Q262 PolarHBondContact O-N 3.37Å; R260-Q262 VanDerWaalsContact C-N 3.33Å
263E61.9Low72.3Confident139 Ų13981.4 Ų81.465%0.6541%0.409SS*.SBendtrans-96.2153.6-178.3-68-17015800114.8D259D259-E263 PolarHBondContact O-N 2.85Å
264R53.9Low72.7Confident229 Ų22985.7 Ų85.786%0.86443%0.427SS*.  trans-67.3150.8168.6-74.9-178.8179.3177.40.3109.8C266R264-C266 PolarHBondContact O-N 2.64Å
265P52.5Low73.1Confident131 Ų13181.1 Ų81.185%0.85141%0.406SS*.  trans-67.3101.4-177.226.4-32.5000111.1
266C53.2Low73.5Confident71 Ų7179 Ų7948%0.4839%0.391SS..  trans-61.9138.2155.1-72.50000108R264 L268 Y271R264-C266 PolarHBondContact O-N 2.64Å; C266-L268 PolarHBondContact O-N 3.28Å; C266-Y271 HydrophobicContact CB-CE2 3.95Å
267S62.6Low74Confident48 Ų4879.1 Ų79.134%0.33639%0.391SS..  trans-54.6126.9178.9169.50000109.5L269 S270 E304S267-L269 PolarHBondContact O-N 2.91Å; S267-L269 WeakPolarHBondContact OG-CB 3.05Å; S267-L269 PolarHBondContact OG-N 3.09Å; S267-S270 PolarHBondContact O-N 3.43Å; S267-S270 PolarHBondContact O-OG 3.38Å; S267-E304 PolarHBondContact OG-OE1 2.92Å
268L62.5Low74.3Confident91 Ų9178.4 Ų78.448%0.47639%0.387SS..G310 helixtrans-57.4-19.6178.9-68.8173.7000112.2C266 S270 Y271 Q272C266-L268 PolarHBondContact O-N 3.28Å; L268-S270 VanDerWaalsContact C-N 3.31Å; L268-S270 PolarHBondContact O-N 3.01Å; L268-Y271 PolarHBondContact O-N 3.02Å; L268-Q272 WeakPolarHBondContact O-CG 3.28Å; L268-Q272 PolarHBondContact O-N 2.99Å
269L66Low74.9Confident29 Ų2975.4 Ų75.415%0.15237%0.374CS..G310 helixtrans-64.3-30.2177.1-62.7-168.4000113.7S267 Y271 Q272 L278 E304 L585S267-L269 PolarHBondContact O-N 2.91Å; S267-L269 WeakPolarHBondContact OG-CB 3.05Å; S267-L269 PolarHBondContact OG-N 3.09Å; L269-Y271 PolarHBondContact O-N 3.02Å; L269-Q272 HydrophobicContact CD2-CG 4.04Å; L269-Q272 PolarHBondContact O-N 3.01Å; L269-L278 HydrophobicContact CD1-CD1 4.27Å; L269-L278 HydrophobicContact CD1-CD2 4.43Å; L269-L278 HydrophobicContact CD2-CD1 4.46Å; L269-L278 HydrophobicContact CD2-CD2 3.42Å; L269-L278 VanDerWaalsContact CD2-CD2 3.42Å; L269-E304 HydrophobicContact CD1-CG 3.28Å; L269-E304 WeakPolarHBondContact CD1-OE1 3.39Å; L269-E304 HydrophobicContact CG-CG 4.45Å; L269-E304 WeakPolarHBondContact CG-OE1 3.3Å; L269-L585 HydrophobicContact CD1-CD1 4.16Å
270S68.4Low75.5Confident82 Ų8271.3 Ų71.357%0.57335%0.352SS*.G310 helixtrans-65.6-20.9176.862.50000112.6S267 L268S267-S270 PolarHBondContact O-N 3.43Å; S267-S270 PolarHBondContact O-OG 3.38Å; L268-S270 VanDerWaalsContact C-N 3.31Å; L268-S270 PolarHBondContact O-N 3.01Å
271Y76.3Confident76.5Confident73 Ų7368.2 Ų68.229%0.28634%0.34SS..G310 helixtrans-102.7-10.9179.4-55-74.5000112.8N224 N226 A227 C266 L268 L269N224-Y271 PolarHBondContact ND2-O 3.06Å; N226-Y271 HydrophobicContact CB-CD1 3.7Å; N226-Y271 HydrophobicContact CB-CD2 4.31Å; N226-Y271 HydrophobicContact CB-CE1 4.21Å; N226-Y271 HydrophobicContact CB-CG 3.75Å; A227-Y271 WeakPolarHBondContact CB-O 3.27Å; C266-Y271 HydrophobicContact CB-CE2 3.95Å; L268-Y271 PolarHBondContact O-N 3.02Å; L269-Y271 PolarHBondContact O-N 3.02Å
272Q82.6Confident77.6Confident22 Ų2259.7 Ų59.710%0.10330%0.303CS..SBendtrans-65.3143.7179.4-67.3-58.3-37.600111A227 L268 L269 A276A227-Q272 PolarHBondContact O-NE2 2.8Å; L268-Q272 WeakPolarHBondContact O-CG 3.28Å; L268-Q272 PolarHBondContact O-N 2.99Å; L269-Q272 HydrophobicContact CD2-CG 4.04Å; L269-Q272 PolarHBondContact O-N 3.01Å; Q272-A276 HydrophobicContact CB-CB 3.79Å; Q272-A276 HydrophobicContact CG-CB 4.31Å
273R89.4Confident78.7Confident10 Ų1052 Ų524%0.03827%0.267CS..  trans-61155.8170.865.9175.867-144.6-10111L184 V191 E194 Y222 G275 A276 C582L184-R273 PolarHBondContact O-NH1 2.66Å; L184-R273 VanDerWaalsContact O-NH1 3.09Å; V191-R273 HydrophobicContact CG2-CG 3.97Å; E194-R273 IonicContact OE1-CZ 2.63Å; E194-R273 IonicContact OE1-NE 3.26Å; E194-R273 IonicContact OE1-NH2 3.92Å; E194-R273 PolarHBondContact OE1-NH2 3.04Å; E194-R273 IonicContact OE2-CZ 3.25Å; E194-R273 IonicContact OE2-NE 3.84Å; E194-R273 PolarHBondContact OE2-NE 3.46Å; E194-R273 IonicContact OE2-NH2 3.06Å; E194-R273 PolarHBondContact OE2-NH2 3Å; Y222-R273 PolarHBondContact O-NH2 2.87Å; R273-G275 VanDerWaalsContact C-N 3.26Å; R273-G275 PolarHBondContact O-N 3.02Å; R273-A276 HydrophobicContact CG-CB 4.09Å; R273-A276 VanDerWaalsContact O-CB 3.27Å; R273-A276 WeakPolarHBondContact O-CB 3.3Å; R273-A276 PolarHBondContact O-N 3.05Å; R273-C582 WeakPolarHBondContact O-CB 3.48Å
274K89.7Confident80.4Confident89 Ų8945.4 Ų45.439%0.38724%0.237SC..THydrogen-bonded Turntrans-55-37.2-176.6-76.4-174.4-174.5-174.50114.1E187 C582 K583E187-K274 HydrophobicContact CB-CB 4.23Å; E187-K274 HydrophobicContact CB-CD 4.32Å; E187-K274 HydrophobicContact CB-CG 4.47Å; E187-K274 CarbonylContact O-C 3.58Å; E187-K274 WeakPolarHBondContact O-CB 3.26Å; E187-K274 PolarHBondContact O-N 3.29Å; K274-C582 PolarHBondContact O-N 3.27Å; K274-K583 HydrophobicContact CB-CB 3.91Å; K274-K583 HydrophobicContact CG-CB 4.22Å; K274-K583 PolarHBondContact O-N 3.17Å
275G89.8Confident82.3Confident0 Ų034.5 Ų34.50%020%0.195CC..THydrogen-bonded Turntrans-84-2.9179.300000114.9E187 L189 H190 R273 L277E187-G275 PolarHBondContact O-N 2.83Å; L189-G275 CarbonylContact O-C 3.55Å; L189-G275 VanDerWaalsContact O-C 3.26Å; L189-G275 WeakPolarHBondContact O-CA 3.31Å; H190-G275 WeakPolarHBondContact CA-O 3.5Å; H190-G275 PolarHBondContact CD2-O 2.66Å; R273-G275 VanDerWaalsContact C-N 3.26Å; R273-G275 PolarHBondContact O-N 3.02Å; G275-L277 PolarHBondContact O-N 3.06Å
276A91.6Very high84.2Confident1 Ų128.3 Ų28.31%0.00816%0.155CC..  trans-60.9133.2178.600000110.5V191 Q272 R273 P581 C582V191-A276 HydrophobicContact CG2-CB 4.12Å; V191-A276 CarbonylContact O-C 3.49Å; V191-A276 WeakPolarHBondContact O-CA 3.34Å; Q272-A276 HydrophobicContact CB-CB 3.79Å; Q272-A276 HydrophobicContact CG-CB 4.31Å; R273-A276 HydrophobicContact CG-CB 4.09Å; R273-A276 VanDerWaalsContact O-CB 3.27Å; R273-A276 WeakPolarHBondContact O-CB 3.3Å; R273-A276 PolarHBondContact O-N 3.05Å; A276-P581 CarbonylContact O-C 3.54Å; A276-P581 WeakPolarHBondContact O-CA 3.47Å; A276-C582 HydrophobicContact CB-CB 4.42Å; A276-C582 PolarHBondContact O-N 2.83Å; A276-C582 PolarHBondContact O-SG 3.5Å
277L92.3Very high86Confident15 Ų1527 Ų278%0.07914%0.142CC..EExtended strand (participates in β ladder)trans-92.1126.8-170-68.9-177.9000111.6H190 V191 G275 K579H190-L277 HydrophobicContact CB-CD1 4.09Å; H190-L277 HydrophobicContact CB-CD2 4.32Å; H190-L277 HydrophobicContact CB-CG 4.17Å; V191-L277 WeakPolarHBondContact O-CB 3.47Å; V191-L277 PolarHBondContact O-N 3.36Å; G275-L277 PolarHBondContact O-N 3.06Å; L277-K579 HydrophobicContact CB-CB 4.15Å; L277-K579 HydrophobicContact CD1-CB 4.29Å; L277-K579 HydrophobicContact CD1-CD 4.39Å; L277-K579 HydrophobicContact CD2-CB 4.35Å
278L90.1Very high87.3Confident7 Ų727.8 Ų27.84%0.03714%0.139CC..EExtended strand (participates in β ladder)trans-109.5126.2-179.1-55.6-178.9000111.2L269 S280 I301 K579 L580 L585L269-L278 HydrophobicContact CD1-CD1 4.27Å; L269-L278 HydrophobicContact CD1-CD2 4.43Å; L269-L278 HydrophobicContact CD2-CD1 4.46Å; L269-L278 HydrophobicContact CD2-CD2 3.42Å; L269-L278 VanDerWaalsContact CD2-CD2 3.42Å; L278-S280 PolarHBondContact O-N 2.7Å; L278-S280 PolarHBondContact O-OG 2.96Å; L278-I301 HydrophobicContact CD1-CG2 4.3Å; L278-K579 CarbonylContact O-C 3.56Å; L278-K579 WeakPolarHBondContact O-CA 3.46Å; L278-L580 PolarHBondContact N-O 2.78Å; L278-L580 PolarHBondContact O-N 3.39Å; L278-L585 HydrophobicContact CD1-CD1 3.43Å; L278-L585 VanDerWaalsContact CD1-CD1 3.43Å; L278-L585 HydrophobicContact CD1-CG 4.22Å
279D91.2Very high88.1Confident52 Ų5226.1 Ų26.128%0.27814%0.138SC..EExtended strand (participates in β ladder)trans-67.2119.2175.1-64.4-44.7000109.6I302 K579D279-I302 HydrophobicContact CB-CD1 4.15Å; D279-I302 WeakPolarHBondContact O-CG1 3.38Å; D279-I302 PolarHBondContact O-N 3.11Å; D279-K579 WeakPolarHBondContact OD1-CE 3.49Å; D279-K579 IonicContact OD1-NZ 3.93Å; D279-K579 PolarHBondContact OD1-NZ 2.9Å; D279-K579 VanDerWaalsContact OD1-NZ 3.09Å
280S93.5Very high88.7Confident0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-140.2139.8-167.2-55.60000110.8L278 Y300 I301 A578L278-S280 PolarHBondContact O-N 2.7Å; L278-S280 PolarHBondContact O-OG 2.96Å; S280-Y300 CarbonylContact C-O 3.59Å; S280-Y300 VanDerWaalsContact CA-O 3.24Å; S280-Y300 WeakPolarHBondContact CA-O 3.34Å; S280-I301 WeakPolarHBondContact OG-CD1 3.39Å; S280-A578 PolarHBondContact N-O 2.96Å; S280-A578 PolarHBondContact O-N 2.87Å
281V95.1Very high89.4Confident0 Ų030.8 Ų30.80%016%0.157CC..EExtended strand (participates in β ladder)trans-98122.1171.7-177.20000108.8A299 Y300 I302 C520 I522 F528 C575 L577V281-A299 CarbonylContact O-C 3.56Å; V281-A299 WeakPolarHBondContact O-CA 3.4Å; V281-Y300 PolarHBondContact N-O 3.04Å; V281-Y300 PolarHBondContact O-N 3.16Å; V281-I302 HydrophobicContact CG2-CD1 4.2Å; V281-I302 HydrophobicContact CG2-CG1 4.44Å; V281-C520 HydrophobicContact CG1-CB 4.42Å; V281-I522 HydrophobicContact CG2-CG2 3.68Å; V281-F528 HydrophobicContact CB-CD1 4.31Å; V281-F528 HydrophobicContact CB-CE1 4.4Å; V281-F528 HydrophobicContact CB-CG 4.35Å; V281-F528 HydrophobicContact CG1-CD1 3.62Å; V281-F528 HydrophobicContact CG1-CE1 3.73Å; V281-F528 HydrophobicContact CG1-CG 4.12Å; V281-F528 HydrophobicContact CG1-CZ 4.32Å; V281-F528 HydrophobicContact CG2-CB 4.11Å; V281-F528 HydrophobicContact CG2-CD1 4.32Å; V281-F528 HydrophobicContact CG2-CD2 4.19Å; V281-F528 HydrophobicContact CG2-CG 3.95Å; V281-C575 WeakPolarHBondContact CG1-SG 3.41Å; V281-L577 HydrophobicContact CG2-CD1 4.35Å
282V95.8Very high90Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-105.4126.1-179.2-171.80000109.7L284 V297 F298 A299 L310 I329 C575 C576 A578 L580V282-L284 HydrophobicContact CB-CD1 4.38Å; V282-L284 HydrophobicContact CG1-CD1 3.88Å; V282-L284 HydrophobicContact CG1-CD2 4.34Å; V282-L284 HydrophobicContact CG1-CG 4Å; V282-V297 HydrophobicContact CG1-CG1 3.85Å; V282-F298 CarbonylContact C-O 3.54Å; V282-F298 WeakPolarHBondContact CA-O 3.45Å; V282-A299 HydrophobicContact CG2-CB 4.19Å; V282-L310 HydrophobicContact CG1-CD1 4.37Å; V282-I329 HydrophobicContact CB-CD1 4.04Å; V282-I329 HydrophobicContact CG1-CD1 4.07Å; V282-I329 HydrophobicContact CG2-CD1 3.71Å; V282-C575 VanDerWaalsContact O-CA 3.31Å; V282-C575 WeakPolarHBondContact O-CA 3.4Å; V282-C576 PolarHBondContact N-O 2.93Å; V282-C576 PolarHBondContact O-N 3.11Å; V282-C576 VanDerWaalsContact O-N 3.07Å; V282-A578 HydrophobicContact CG2-CB 4.05Å; V282-L580 HydrophobicContact CG2-CD1 3.74Å
283I95.3Very high90.5Very high4 Ų433 Ų332%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-108.2132.2176.2-58.8-168.8000108.8V297 F298 W307 A518 F528 C530 L570 P573 A574I283-V297 WeakPolarHBondContact O-CA 3.29Å; I283-F298 PolarHBondContact N-O 2.72Å; I283-F298 PolarHBondContact O-N 3.06Å; I283-W307 HydrophobicContact CD1-CH2 3.53Å; I283-W307 HydrophobicContact CD1-CZ3 3.97Å; I283-W307 HydrophobicContact CG1-CH2 4.18Å; I283-W307 HydrophobicContact CG1-CZ3 4.2Å; I283-A518 HydrophobicContact CD1-CB 4.31Å; I283-F528 HydrophobicContact CD1-CE1 4.08Å; I283-F528 HydrophobicContact CD1-CZ 4.34Å; I283-C530 HydrophobicContact CD1-CB 3.64Å; I283-C530 WeakPolarHBondContact CD1-SG 3.39Å; I283-L570 HydrophobicContact CG2-CD1 4.08Å; I283-P573 HydrophobicContact CG2-CB 3.52Å; I283-P573 HydrophobicContact CG2-CG 4.01Å; I283-A574 WeakPolarHBondContact CA-O 3.14Å
284L95.8Very high90.7Very high0 Ų032.8 Ų32.80%017%0.167CC..EExtended strand (participates in β ladder)trans-132.4128.7-174-49.797.7000111.4V282 V297 M313 L320 A322 I329 I331 W355 A574V282-L284 HydrophobicContact CB-CD1 4.38Å; V282-L284 HydrophobicContact CG1-CD1 3.88Å; V282-L284 HydrophobicContact CG1-CD2 4.34Å; V282-L284 HydrophobicContact CG1-CG 4Å; L284-V297 HydrophobicContact CD2-CG1 3.95Å; L284-V297 HydrophobicContact CD2-CG2 4.25Å; L284-V297 HydrophobicContact CG-CG1 4.12Å; L284-M313 HydrophobicContact CB-SD 3.92Å; L284-L320 HydrophobicContact CB-CD1 4.45Å; L284-A322 HydrophobicContact CD1-CB 3.76Å; L284-I329 HydrophobicContact CD2-CG2 4.47Å; L284-I331 HydrophobicContact CD2-CG2 3.86Å; L284-W355 HydrophobicContact CD2-CH2 3.72Å; L284-W355 HydrophobicContact CD2-CZ2 4.03Å; L284-A574 HydrophobicContact CB-CB 4.38Å; L284-A574 HydrophobicContact CD1-CB 4.49Å; L284-A574 PolarHBondContact N-O 3.32Å; L284-A574 PolarHBondContact O-N 3.41Å
285G94.9Very high91Very high0 Ų029.7 Ų29.70%016%0.155CC..  trans66.6-139.5174.400000114.1N294 G296 A317 L570G285-N294 WeakPolarHBondContact CA-O 3.31Å; G285-G296 PolarHBondContact N-O 2.99Å; G285-A317 WeakPolarHBondContact CA-O 3.4Å; G285-L570 WeakPolarHBondContact O-CD1 3.29Å
286G93.1Very high91.3Very high0 Ų029.8 Ų29.80%016%0.156CC..  trans97.5-173.2-174.600000112.9N294 A317 D571G286-N294 WeakPolarHBondContact O-CB 3.24Å; G286-N294 PolarHBondContact O-N 2.84Å; G286-A317 PolarHBondContact N-O 2.92Å; G286-D571 CarbonylContact C-O 3.59Å; G286-D571 WeakPolarHBondContact CA-O 3.47Å
287Q91.1Very high91.5Very high43 Ų4329.8 Ų29.820%0.20116%0.155CC..BIsolated β-bridgetrans-115.7140.3174.9-63.4-176.7-9.300110.2K292 F293 A318 L570 D571Q287-K292 WeakPolarHBondContact CA-O 3.27Å; Q287-F293 HydrophobicContact CG-CD1 3.91Å; Q287-F293 HydrophobicContact CG-CE1 4.08Å; Q287-F293 HydrophobicContact CG-CG 4.45Å; Q287-A318 HydrophobicContact CG-CB 3.57Å; Q287-L570 WeakPolarHBondContact O-CA 3.38Å; Q287-D571 PolarHBondContact N-O 3.39Å; Q287-D571 PolarHBondContact O-N 3.19Å
288K88.6Confident91.7Very high65 Ų6529.5 Ų29.528%0.28315%0.154SC..  trans-82.7176.7168.1-60-175-179.7-169.80109.7G291 K292 N294 I546 E568 L570K288-G291 PolarHBondContact O-N 3.48Å; K288-K292 PolarHBondContact N-O 3.07Å; K288-N294 VanDerWaalsContact CE-OD1 3.31Å; K288-N294 WeakPolarHBondContact CE-OD1 3.2Å; K288-I546 VanDerWaalsContact C-CD1 3.45Å; K288-E568 VanDerWaalsContact CE-CD 3.48Å; K288-E568 WeakPolarHBondContact CE-OE2 3.46Å; K288-E568 IonicContact NZ-OE1 2.97Å; K288-E568 PolarHBondContact NZ-OE1 3.32Å; K288-E568 IonicContact NZ-OE2 2.98Å; K288-E568 PolarHBondContact NZ-OE2 2.95Å; K288-L570 HydrophobicContact CG-CD2 4.24Å
289A79.9Confident91.9Very high56 Ų5629.1 Ų29.146%0.46315%0.152SC..G310 helixtrans-50.3146.1167.400000110.5G291A289-G291 VanDerWaalsContact C-N 3.27Å; A289-G291 PolarHBondContact O-N 3.3Å
290H78.9Confident92Very high186 Ų18627 Ų2786%0.86114%0.14SC*.G310 helixtrans67.416.2-175.3-43.5-70.1000115.7K292H290-K292 VanDerWaalsContact C-N 3.33Å; H290-K292 PolarHBondContact O-N 3.26Å
291G81.6Confident91.9Very high24 Ų2427 Ų2725%0.24714%0.14CC..G310 helixtrans78.611.3170.400000115K288 A289 F293K288-G291 PolarHBondContact O-N 3.48Å; A289-G291 VanDerWaalsContact C-N 3.27Å; A289-G291 PolarHBondContact O-N 3.3Å; G291-F293 PolarHBondContact O-N 3.37Å
292K89.8Confident91.6Very high120 Ų12029 Ų2952%0.52215%0.15SC..  trans-72120.1178-174.4176.3-178.9177.10110.6Q287 K288 H290Q287-K292 WeakPolarHBondContact CA-O 3.27Å; K288-K292 PolarHBondContact N-O 3.07Å; H290-K292 VanDerWaalsContact C-N 3.33Å; H290-K292 PolarHBondContact O-N 3.26Å
293F93.6Very high91.1Very high21 Ų2134 Ų349%0.09217%0.174CC..BIsolated β-bridgetrans-67.7146.2177.8-64.1-89.4000112.1Q287 G291 R316 A318 T335 T336 E337Q287-F293 HydrophobicContact CG-CD1 3.91Å; Q287-F293 HydrophobicContact CG-CE1 4.08Å; Q287-F293 HydrophobicContact CG-CG 4.45Å; G291-F293 PolarHBondContact O-N 3.37Å; F293-R316 HydrophobicContact CB-CB 3.86Å; F293-A318 HydrophobicContact CD1-CB 3.89Å; F293-A318 HydrophobicContact CE1-CB 4Å; F293-T335 VanDerWaalsContact CD1-O 3.32Å; F293-T335 WeakPolarHBondContact CD1-O 3.28Å; F293-T335 HydrophobicContact CE1-CG2 4.03Å; F293-T335 WeakPolarHBondContact CE1-O 3.15Å; F293-T335 HydrophobicContact CZ-CG2 3.9Å; F293-T336 WeakPolarHBondContact CZ-O 3.18Å; F293-E337 HydrophobicContact CD2-CB 4.45Å; F293-E337 HydrophobicContact CD2-CG 3.46Å; F293-E337 VanDerWaalsContact CD2-CG 3.46Å; F293-E337 HydrophobicContact CE2-CB 4.39Å; F293-E337 HydrophobicContact CE2-CG 3.77Å
294N93.9Very high90.5Very high6 Ų637.4 Ų37.43%0.03219%0.189CC..  trans-114.4149.2-177.8-160.429.1000111.9G285 G286 K288 G296 R316 A317 E568 L570G285-N294 WeakPolarHBondContact CA-O 3.31Å; G286-N294 WeakPolarHBondContact O-CB 3.24Å; G286-N294 PolarHBondContact O-N 2.84Å; K288-N294 VanDerWaalsContact CE-OD1 3.31Å; K288-N294 WeakPolarHBondContact CE-OD1 3.2Å; N294-G296 PolarHBondContact OD1-N 3.32Å; N294-R316 WeakPolarHBondContact O-CA 3.3Å; N294-A317 PolarHBondContact O-N 2.97Å; N294-E568 PolarHBondContact ND2-OE2 3.38Å; N294-L570 HydrophobicContact CB-CD2 4.09Å; N294-L570 VanDerWaalsContact ND2-CD2 3.32Å; N294-L570 WeakPolarHBondContact ND2-CD2 3.14Å
295D95.6Very high90.2Very high24 Ų2440.3 Ų40.313%0.12821%0.205CC..  trans-112.3-3.217143.418.1000111.8M313 R316D295-M313 HydrophobicContact CB-CB 4.26Å; D295-M313 PolarHBondContact O-N 3Å; D295-R316 HydrophobicContact CB-CG 3.67Å; D295-R316 WeakPolarHBondContact OD2-CG 3.38Å; D295-R316 IonicContact OD2-CZ 3.24Å; D295-R316 IonicContact OD2-NE 3.85Å; D295-R316 PolarHBondContact OD2-NE 3.42Å; D295-R316 IonicContact OD2-NH2 3.33Å
296G95.6Very high89.9Confident2 Ų243 Ų432%0.02122%0.219CC..  trans-56.8142.1179.100000113.9G285 N294G285-G296 PolarHBondContact N-O 2.99Å; N294-G296 PolarHBondContact OD1-N 3.32Å
297V96.4Very high89.9Confident0 Ų044.6 Ų44.60%023%0.225CC..EExtended strand (participates in β ladder)trans-127.5121175.9-175.50000108V282 I283 L284 L310 S311 M313 W355V282-V297 HydrophobicContact CG1-CG1 3.85Å; I283-V297 WeakPolarHBondContact O-CA 3.29Å; L284-V297 HydrophobicContact CD2-CG1 3.95Å; L284-V297 HydrophobicContact CD2-CG2 4.25Å; L284-V297 HydrophobicContact CG-CG1 4.12Å; V297-L310 HydrophobicContact CB-CB 4.12Å; V297-L310 HydrophobicContact CG1-CB 3.86Å; V297-L310 HydrophobicContact CG1-CD1 3.95Å; V297-L310 HydrophobicContact CG1-CG 4.34Å; V297-L310 PolarHBondContact O-N 3.47Å; V297-S311 WeakPolarHBondContact CG2-O 3.42Å; V297-M313 HydrophobicContact CG2-CG 3.59Å; V297-W355 HydrophobicContact CG2-CZ2 3.93Å
298F95.1Very high90Very high9 Ų943 Ų434%0.03922%0.217CC..EExtended strand (participates in β ladder)trans-128.4128.9-174.9-56-75.2000110.5V282 I283 W307 L308 K309 P567 E568 L570V282-F298 CarbonylContact C-O 3.54Å; V282-F298 WeakPolarHBondContact CA-O 3.45Å; I283-F298 PolarHBondContact N-O 2.72Å; I283-F298 PolarHBondContact O-N 3.06Å; F298-W307 HydrophobicContact CB-CE3 3.87Å; F298-W307 HydrophobicContact CB-CZ3 3.99Å; F298-L308 CarbonylContact C-O 3.6Å; F298-L308 VanDerWaalsContact CA-O 3.3Å; F298-L308 WeakPolarHBondContact CA-O 3.15Å; F298-K309 HydrophobicContact CD1-CB 4.24Å; F298-K309 HydrophobicContact CD1-CG 4.27Å; F298-K309 HydrophobicContact CE1-CB 4.23Å; F298-K309 HydrophobicContact CE1-CD 4.26Å; F298-K309 HydrophobicContact CE1-CG 3.95Å; F298-P567 HydrophobicContact CD1-CB 4.03Å; F298-P567 HydrophobicContact CD1-CG 3.71Å; F298-P567 HydrophobicContact CE1-CB 3.78Å; F298-P567 HydrophobicContact CE1-CG 3.98Å; F298-P567 HydrophobicContact CG-CG 4.33Å; F298-P567 HydrophobicContact CZ-CB 4.3Å; F298-E568 HydrophobicContact CE2-CB 4.31Å; F298-E568 HydrophobicContact CE2-CG 4.13Å; F298-E568 HydrophobicContact CZ-CB 4.5Å; F298-E568 HydrophobicContact CZ-CG 3.85Å; F298-L570 HydrophobicContact CD2-CD1 4.35Å; F298-L570 HydrophobicContact CE2-CD1 4.35Å
299A95.1Very high90.2Very high0 Ų046 Ų460%023%0.231CC..EExtended strand (participates in β ladder)trans-106.4126174.800000110.5V281 V282 W307 L308 L310 L580V281-A299 CarbonylContact O-C 3.56Å; V281-A299 WeakPolarHBondContact O-CA 3.4Å; V282-A299 HydrophobicContact CG2-CB 4.19Å; A299-W307 CarbonylContact O-C 3.48Å; A299-W307 WeakPolarHBondContact O-CA 3.3Å; A299-L308 HydrophobicContact CB-CB 4.5Å; A299-L308 PolarHBondContact N-O 2.82Å; A299-L308 PolarHBondContact O-N 3.23Å; A299-L310 HydrophobicContact CB-CD1 3.92Å; A299-L310 HydrophobicContact CB-CD2 4.47Å; A299-L310 HydrophobicContact CB-CG 4.21Å; A299-L580 HydrophobicContact CB-CD2 3.82Å
300Y93.9Very high90.9Very high6 Ų643.7 Ų43.72%0.02421%0.21CC..EExtended strand (participates in β ladder)trans-95115.3171175.7-104.7000109.7S280 V281 I302 N305 L306 W307 F528 L563S280-Y300 CarbonylContact C-O 3.59Å; S280-Y300 VanDerWaalsContact CA-O 3.24Å; S280-Y300 WeakPolarHBondContact CA-O 3.34Å; V281-Y300 PolarHBondContact N-O 3.04Å; V281-Y300 PolarHBondContact O-N 3.16Å; Y300-I302 HydrophobicContact CD1-CG1 4.11Å; Y300-I302 HydrophobicContact CE1-CB 4.42Å; Y300-I302 HydrophobicContact CE1-CG1 4.07Å; Y300-I302 PolarHBondContact O-N 3.16Å; Y300-N305 WeakPolarHBondContact OH-CA 3.33Å; Y300-N305 PolarHBondContact OH-OD1 2.94Å; Y300-L306 WeakPolarHBondContact CA-O 3.49Å; Y300-L306 WeakPolarHBondContact CD2-O 3.24Å; Y300-W307 AromaticContact CD2-CD2 4Å; Y300-W307 HydrophobicContact CD2-CD2 4Å; Y300-W307 AromaticContact CD2-CE2 3.6Å; Y300-W307 HydrophobicContact CD2-CG 4.26Å; Y300-W307 AromaticContact CD2-CZ2 3.99Å; Y300-W307 HydrophobicContact CD2-CZ2 3.99Å; Y300-W307 AromaticContact CD2-NE1 3.62Å; Y300-W307 HydrophobicContact CG-CD2 4.45Å; Y300-W307 HydrophobicContact CG-CH2 4.44Å; Y300-W307 HydrophobicContact CG-CZ2 4.14Å; Y300-F528 HydrophobicContact CD1-CD2 4.1Å; Y300-F528 AromaticContact CD1-CE2 3.71Å; Y300-F528 HydrophobicContact CD1-CE2 3.71Å; Y300-F528 HydrophobicContact CE1-CD2 4.36Å; Y300-F528 HydrophobicContact CE1-CE2 4.16Å; Y300-F528 HydrophobicContact CG-CE2 4.07Å; Y300-L563 HydrophobicContact CD1-CD1 4.48Å; Y300-L563 HydrophobicContact CE1-CD1 3.73Å; Y300-L563 HydrophobicContact CE2-CB 4.23Å; Y300-L563 HydrophobicContact CE2-CD1 4.35Å; Y300-L563 WeakPolarHBondContact OH-CD2 3.26Å
301I91.4Very high91.7Very high1 Ų136.7 Ų36.71%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-85.5111.2178.2-53.1-56000108.6L278 S280 Q303 E304 N305 L306 L308 L585L278-I301 HydrophobicContact CD1-CG2 4.3Å; S280-I301 WeakPolarHBondContact OG-CD1 3.39Å; I301-Q303 VanDerWaalsContact C-N 3.33Å; I301-Q303 PolarHBondContact O-N 2.86Å; I301-E304 HydrophobicContact CG2-CB 4.3Å; I301-E304 HydrophobicContact CG2-CG 4.3Å; I301-E304 PolarHBondContact O-N 3Å; I301-N305 PolarHBondContact O-N 3.08Å; I301-L306 HydrophobicContact CB-CD1 4Å; I301-L306 HydrophobicContact CB-CG 4.16Å; I301-L306 HydrophobicContact CG1-CD1 3.68Å; I301-L306 HydrophobicContact CG1-CG 4.39Å; I301-L306 PolarHBondContact N-O 2.89Å; I301-L308 HydrophobicContact CD1-CD1 3.71Å; I301-L308 HydrophobicContact CG1-CD1 3.58Å; I301-L308 HydrophobicContact CG1-CG 4.09Å; I301-L585 HydrophobicContact CG1-CD2 4.28Å
302I88.7Confident92.4Very high42 Ų4239.9 Ų39.922%0.21519%0.191CC..THydrogen-bonded Turntrans-63.9-40.1-167.3-63.2170.5000111.8D279 V281 Y300 I522 L577D279-I302 HydrophobicContact CB-CD1 4.15Å; D279-I302 WeakPolarHBondContact O-CG1 3.38Å; D279-I302 PolarHBondContact O-N 3.11Å; V281-I302 HydrophobicContact CG2-CD1 4.2Å; V281-I302 HydrophobicContact CG2-CG1 4.44Å; Y300-I302 HydrophobicContact CD1-CG1 4.11Å; Y300-I302 HydrophobicContact CE1-CB 4.42Å; Y300-I302 HydrophobicContact CE1-CG1 4.07Å; Y300-I302 PolarHBondContact O-N 3.16Å; I302-I522 HydrophobicContact CD1-CB 3.97Å; I302-I522 HydrophobicContact CD1-CD1 4.05Å; I302-I522 HydrophobicContact CD1-CG2 3.97Å; I302-I522 HydrophobicContact CG2-CD1 4.2Å; I302-L577 HydrophobicContact CD1-CD1 4.16Å
303Q83.8Confident92.7Very high105 Ų10534.6 Ų34.649%0.49117%0.168SC..THydrogen-bonded Turntrans-70.3-32.2-174-67.1138.8-8.700112.8I301I301-Q303 VanDerWaalsContact C-N 3.33Å; I301-Q303 PolarHBondContact O-N 2.86Å
304E83Confident92.8Very high76 Ų7636.5 Ų36.536%0.35518%0.183SC..THydrogen-bonded Turntrans-101.5-7.7-175.8-65.3-62.2149.200113.4S267 L269 I301 L306S267-E304 PolarHBondContact OG-OE1 2.92Å; L269-E304 HydrophobicContact CD1-CG 3.28Å; L269-E304 WeakPolarHBondContact CD1-OE1 3.39Å; L269-E304 HydrophobicContact CG-CG 4.45Å; L269-E304 WeakPolarHBondContact CG-OE1 3.3Å; I301-E304 HydrophobicContact CG2-CB 4.3Å; I301-E304 HydrophobicContact CG2-CG 4.3Å; I301-E304 PolarHBondContact O-N 3Å; E304-L306 VanDerWaalsContact C-N 3.3Å; E304-L306 HydrophobicContact CB-CB 4.45Å; E304-L306 HydrophobicContact CB-CD2 3.48Å; E304-L306 VanDerWaalsContact CB-CD2 3.48Å; E304-L306 HydrophobicContact CB-CG 3.72Å; E304-L306 HydrophobicContact CG-CD2 4.13Å; E304-L306 PolarHBondContact O-N 3.09Å
305N89.3Confident92.8Very high61 Ų6137.8 Ų37.833%0.32619%0.188SC..THydrogen-bonded Turntrans52.249.6-174.6-176.650.2000111.8Y300 I301 L563 A564Y300-N305 WeakPolarHBondContact OH-CA 3.33Å; Y300-N305 PolarHBondContact OH-OD1 2.94Å; I301-N305 PolarHBondContact O-N 3.08Å; N305-L563 WeakPolarHBondContact OD1-CA 3.43Å; N305-A564 WeakPolarHBondContact O-CB 3.31Å; N305-A564 PolarHBondContact OD1-N 3.39Å
306L90.2Very high92.8Very high55 Ų5542.5 Ų42.529%0.28820%0.204SC..EExtended strand (participates in β ladder)trans-133.1158.8-17970.378.3000112.2Y300 I301 E304 L308 L585Y300-L306 WeakPolarHBondContact CA-O 3.49Å; Y300-L306 WeakPolarHBondContact CD2-O 3.24Å; I301-L306 HydrophobicContact CB-CD1 4Å; I301-L306 HydrophobicContact CB-CG 4.16Å; I301-L306 HydrophobicContact CG1-CD1 3.68Å; I301-L306 HydrophobicContact CG1-CG 4.39Å; I301-L306 PolarHBondContact N-O 2.89Å; E304-L306 VanDerWaalsContact C-N 3.3Å; E304-L306 HydrophobicContact CB-CB 4.45Å; E304-L306 HydrophobicContact CB-CD2 3.48Å; E304-L306 VanDerWaalsContact CB-CD2 3.48Å; E304-L306 HydrophobicContact CB-CG 3.72Å; E304-L306 HydrophobicContact CG-CD2 4.13Å; E304-L306 PolarHBondContact O-N 3.09Å; L306-L308 HydrophobicContact CD1-CD1 4.27Å; L306-L308 HydrophobicContact CD1-CD2 3.47Å; L306-L308 VanDerWaalsContact CD1-CD2 3.47Å; L306-L308 HydrophobicContact CD1-CG 3.57Å; L306-L585 HydrophobicContact CD1-CD2 4.36Å
307W92.7Very high92.8Very high35 Ų3542.4 Ų42.413%0.13320%0.203CC..EExtended strand (participates in β ladder)trans-110.7141.5176.4-71.393.9000111.4I283 F298 A299 Y300 F528 A550 A564 S565 P566 P567I283-W307 HydrophobicContact CD1-CH2 3.53Å; I283-W307 HydrophobicContact CD1-CZ3 3.97Å; I283-W307 HydrophobicContact CG1-CH2 4.18Å; I283-W307 HydrophobicContact CG1-CZ3 4.2Å; F298-W307 HydrophobicContact CB-CE3 3.87Å; F298-W307 HydrophobicContact CB-CZ3 3.99Å; A299-W307 CarbonylContact O-C 3.48Å; A299-W307 WeakPolarHBondContact O-CA 3.3Å; Y300-W307 AromaticContact CD2-CD2 4Å; Y300-W307 HydrophobicContact CD2-CD2 4Å; Y300-W307 AromaticContact CD2-CE2 3.6Å; Y300-W307 HydrophobicContact CD2-CG 4.26Å; Y300-W307 AromaticContact CD2-CZ2 3.99Å; Y300-W307 HydrophobicContact CD2-CZ2 3.99Å; Y300-W307 AromaticContact CD2-NE1 3.62Å; Y300-W307 HydrophobicContact CG-CD2 4.45Å; Y300-W307 HydrophobicContact CG-CH2 4.44Å; Y300-W307 HydrophobicContact CG-CZ2 4.14Å; W307-F528 AromaticContact CH2-CZ 3.8Å; W307-F528 HydrophobicContact CH2-CZ 3.8Å; W307-F528 HydrophobicContact CZ2-CE2 4.44Å; W307-F528 AromaticContact CZ2-CZ 3.97Å; W307-F528 HydrophobicContact CZ2-CZ 3.97Å; W307-A550 HydrophobicContact CZ2-CB 3.93Å; W307-A564 PolarHBondContact NE1-O 3.15Å; W307-S565 VanDerWaalsContact CD1-O 3.23Å; W307-S565 PolarHBondContact NE1-O 3.47Å; W307-P566 HydrophobicContact CD2-CB 4.49Å; W307-P566 HydrophobicContact CH2-CB 4.18Å; W307-P566 HydrophobicContact CZ2-CB 3.79Å; W307-P567 HydrophobicContact CB-CG 3.92Å; W307-P567 HydrophobicContact CG-CG 4.36Å
308L92.1Very high92.7Very high8 Ų842.6 Ų42.64%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-123.7138.5175.6-54.9172.2000109.3F298 A299 I301 L306 I584 L585 I588F298-L308 CarbonylContact C-O 3.6Å; F298-L308 VanDerWaalsContact CA-O 3.3Å; F298-L308 WeakPolarHBondContact CA-O 3.15Å; A299-L308 HydrophobicContact CB-CB 4.5Å; A299-L308 PolarHBondContact N-O 2.82Å; A299-L308 PolarHBondContact O-N 3.23Å; I301-L308 HydrophobicContact CD1-CD1 3.71Å; I301-L308 HydrophobicContact CG1-CD1 3.58Å; I301-L308 HydrophobicContact CG1-CG 4.09Å; L306-L308 HydrophobicContact CD1-CD1 4.27Å; L306-L308 HydrophobicContact CD1-CD2 3.47Å; L306-L308 VanDerWaalsContact CD1-CD2 3.47Å; L306-L308 HydrophobicContact CD1-CG 3.57Å; L308-I584 HydrophobicContact CD1-CG2 4.12Å; L308-L585 HydrophobicContact CD1-CD2 3.51Å; L308-L585 HydrophobicContact CD1-CG 4.4Å; L308-L585 HydrophobicContact CD2-CD2 3.86Å; L308-L585 HydrophobicContact CG-CD2 4.23Å; L308-I588 HydrophobicContact CD2-CD1 3.26Å
309K93.4Very high92.5Very high128 Ų12842.6 Ų42.656%0.55721%0.205SC*.EExtended strand (participates in β ladder)trans-87.6128.2168.5-172.5176.3178.4-176.60109.2F298 E312F298-K309 HydrophobicContact CD1-CB 4.24Å; F298-K309 HydrophobicContact CD1-CG 4.27Å; F298-K309 HydrophobicContact CE1-CB 4.23Å; F298-K309 HydrophobicContact CE1-CD 4.26Å; F298-K309 HydrophobicContact CE1-CG 3.95Å; K309-E312 VanDerWaalsContact CE-OE1 3.29Å; K309-E312 WeakPolarHBondContact CE-OE1 3.37Å; K309-E312 IonicContact NZ-OE1 2.68Å; K309-E312 PolarHBondContact NZ-OE1 3.03Å
310L94.6Very high92.6Very high8 Ų843.1 Ų43.14%0.04221%0.208CC..  trans-103.2178.5175.5-55.9-177.8000110.6V282 V297 A299 E312 Y348 L580 I584V282-L310 HydrophobicContact CG1-CD1 4.37Å; V297-L310 HydrophobicContact CB-CB 4.12Å; V297-L310 HydrophobicContact CG1-CB 3.86Å; V297-L310 HydrophobicContact CG1-CD1 3.95Å; V297-L310 HydrophobicContact CG1-CG 4.34Å; V297-L310 PolarHBondContact O-N 3.47Å; A299-L310 HydrophobicContact CB-CD1 3.92Å; A299-L310 HydrophobicContact CB-CD2 4.47Å; A299-L310 HydrophobicContact CB-CG 4.21Å; L310-E312 PolarHBondContact O-N 3.13Å; L310-Y348 HydrophobicContact CD1-CE1 4.07Å; L310-L580 HydrophobicContact CD1-CD2 4.01Å; L310-L580 HydrophobicContact CD2-CD2 4.23Å; L310-I584 HydrophobicContact CD2-CD1 4.43Å; L310-I584 HydrophobicContact CD2-CG2 3.63Å
311S95.1Very high92.6Very high39 Ų3943.4 Ų43.427%0.27321%0.211SC..PPolyproline II helixtrans-58.7127.8173-72.20000111.4V297 N353 W355V297-S311 WeakPolarHBondContact CG2-O 3.42Å; S311-N353 VanDerWaalsContact CB-O 3.3Å; S311-N353 WeakPolarHBondContact CB-O 3.3Å; S311-N353 VanDerWaalsContact CB-OD1 3.3Å; S311-N353 WeakPolarHBondContact CB-OD1 3.47Å; S311-N353 PolarHBondContact N-OD1 3.46Å; S311-N353 PolarHBondContact OG-ND2 3.03Å; S311-N353 PolarHBondContact OG-O 3.17Å; S311-N353 PolarHBondContact OG-OD1 3.23Å; S311-W355 PolarHBondContact O-NE1 2.76Å
312E96.4Very high92.9Very high92 Ų9243.7 Ų43.743%0.4321%0.214SC..PPolyproline II helixtrans-60.9149.8-177.4-64.2173.3176.400111.7K309 L310 W355K309-E312 VanDerWaalsContact CE-OE1 3.29Å; K309-E312 WeakPolarHBondContact CE-OE1 3.37Å; K309-E312 IonicContact NZ-OE1 2.68Å; K309-E312 PolarHBondContact NZ-OE1 3.03Å; L310-E312 PolarHBondContact O-N 3.13Å; E312-W355 PolarHBondContact O-NE1 3.26Å
313M96.4Very high93.2Very high8 Ų842.5 Ų42.54%0.03921%0.208CC..PPolyproline II helixtrans-62.3150.7176-65.4-166.7-58.500110.6L284 D295 V297 Y315 L320 I331 W355L284-M313 HydrophobicContact CB-SD 3.92Å; D295-M313 HydrophobicContact CB-CB 4.26Å; D295-M313 PolarHBondContact O-N 3Å; V297-M313 HydrophobicContact CG2-CG 3.59Å; M313-Y315 WeakPolarHBondContact CB-O 3.45Å; M313-Y315 PolarHBondContact O-N 2.78Å; M313-L320 HydrophobicContact CE-CD2 4.17Å; M313-L320 HydrophobicContact SD-CD1 4.16Å; M313-L320 HydrophobicContact SD-CD2 4.48Å; M313-I331 HydrophobicContact CG-CD1 4.29Å; M313-I331 HydrophobicContact SD-CD1 3.72Å; M313-W355 HydrophobicContact CG-CH2 4.2Å; M313-W355 HydrophobicContact CG-CZ2 3.82Å
314P95.4Very high93.8Very high62 Ų6238.6 Ų38.640%0.40319%0.194SC..SBendtrans-66.6-7.5177.7-22.635.5000114.7W346 W355P314-W346 HydrophobicContact CB-CD2 4.24Å; P314-W346 HydrophobicContact CB-CE3 4.21Å; P314-W346 HydrophobicContact CB-CH2 3.62Å; P314-W346 HydrophobicContact CB-CZ2 3.65Å; P314-W346 HydrophobicContact CB-CZ3 3.9Å; P314-W346 HydrophobicContact CG-CD2 3.72Å; P314-W346 HydrophobicContact CG-CE3 3.49Å; P314-W346 VanDerWaalsContact CG-CE3 3.49Å; P314-W346 HydrophobicContact CG-CG 4.43Å; P314-W346 HydrophobicContact CG-CH2 3.83Å; P314-W346 HydrophobicContact CG-CZ2 4.03Å; P314-W346 HydrophobicContact CG-CZ3 3.54Å; P314-W355 HydrophobicContact CG-CB 3.74Å; P314-W355 HydrophobicContact CG-CD2 4.28Å; P314-W355 HydrophobicContact CG-CG 3.9Å
315Y94.4Very high94.3Very high33 Ų3335.5 Ų35.513%0.12918%0.181CC..SBendtrans-153.4153-178.864.7-78.7000110.4M313 A317 I331 G333 T336 L342 W346M313-Y315 WeakPolarHBondContact CB-O 3.45Å; M313-Y315 PolarHBondContact O-N 2.78Å; Y315-A317 HydrophobicContact CD2-CB 3.56Å; Y315-A317 HydrophobicContact CE2-CB 3.37Å; Y315-I331 HydrophobicContact CE1-CD1 3.98Å; Y315-G333 PolarHBondContact OH-O 3.26Å; Y315-G333 VanDerWaalsContact OH-O 3.08Å; Y315-T336 HydrophobicContact CD2-CG2 4.37Å; Y315-L342 HydrophobicContact CD2-CD1 3.66Å; Y315-L342 HydrophobicContact CE2-CD1 3.4Å; Y315-L342 VanDerWaalsContact CE2-CD1 3.4Å; Y315-W346 AromaticContact CD1-NE1 3.76Å; Y315-W346 AromaticContact CE1-CD1 3.45Å; Y315-W346 VanDerWaalsContact CE1-CD1 3.45Å; Y315-W346 HydrophobicContact CE1-CG 4.4Å; Y315-W346 AromaticContact CE1-NE1 3.54Å
316R95.9Very high94.2Very high123 Ų12335.2 Ų35.246%0.46419%0.193SC..  trans-88.8120.8176.5-66.6176-179.7171.91.9110.1F293 N294 D295 T336F293-R316 HydrophobicContact CB-CB 3.86Å; N294-R316 WeakPolarHBondContact O-CA 3.3Å; D295-R316 HydrophobicContact CB-CG 3.67Å; D295-R316 WeakPolarHBondContact OD2-CG 3.38Å; D295-R316 IonicContact OD2-CZ 3.24Å; D295-R316 IonicContact OD2-NE 3.85Å; D295-R316 PolarHBondContact OD2-NE 3.42Å; D295-R316 IonicContact OD2-NH2 3.33Å; R316-T336 WeakPolarHBondContact O-CG2 3.42Å
317A95.4Very high94.3Very high0 Ų034.8 Ų34.80%019%0.187CC..  trans-155.3159.7-178.200000113.7G285 G286 N294 Y315 L320 T335 T336G285-A317 WeakPolarHBondContact CA-O 3.4Å; G286-A317 PolarHBondContact N-O 2.92Å; N294-A317 PolarHBondContact O-N 2.97Å; Y315-A317 HydrophobicContact CD2-CB 3.56Å; Y315-A317 HydrophobicContact CE2-CB 3.37Å; A317-L320 HydrophobicContact CB-CD2 3.93Å; A317-L320 WeakPolarHBondContact O-CD2 3.34Å; A317-T335 WeakPolarHBondContact CA-O 3.4Å; A317-T335 WeakPolarHBondContact CB-O 3.21Å; A317-T336 HydrophobicContact CB-CG2 4.29Å
318A93.9Very high94.4Very high3 Ų335.9 Ų35.93%0.02519%0.192CC..BIsolated β-bridgetrans-129.5168.3170.900000110.6Q287 F293 L320 G334 T335 C572Q287-A318 HydrophobicContact CG-CB 3.57Å; F293-A318 HydrophobicContact CD1-CB 3.89Å; F293-A318 HydrophobicContact CE1-CB 4Å; A318-L320 PolarHBondContact O-N 3.27Å; A318-G334 CarbonylContact O-C 3.26Å; A318-G334 VanDerWaalsContact O-CA 3.27Å; A318-G334 WeakPolarHBondContact O-CA 3.43Å; A318-T335 PolarHBondContact N-O 2.93Å; A318-T335 PolarHBondContact O-N 3.26Å; A318-C572 HydrophobicContact CB-CB 4.21Å
319A92.4Very high94.6Very high9 Ų935.5 Ų35.57%0.07419%0.19CC..SBendtrans55.723.6-178.700000114F367 C572A319-F367 HydrophobicContact CB-CD1 3.7Å; A319-F367 HydrophobicContact CB-CD2 4.32Å; A319-F367 HydrophobicContact CB-CE1 3.43Å; A319-F367 VanDerWaalsContact CB-CE1 3.43Å; A319-F367 HydrophobicContact CB-CE2 4.08Å; A319-F367 HydrophobicContact CB-CG 4.14Å; A319-F367 HydrophobicContact CB-CZ 3.63Å; A319-F367 PolarHBondContact O-N 3.39Å; A319-C572 PolarHBondContact N-O 3.07Å
320L95.2Very high94.8Very high11 Ų1129.5 Ų29.56%0.05816%0.164CC..  trans-76.9172.9166.463.2127.2000109.7L284 M313 A317 A318 I331 A574L284-L320 HydrophobicContact CB-CD1 4.45Å; M313-L320 HydrophobicContact CE-CD2 4.17Å; M313-L320 HydrophobicContact SD-CD1 4.16Å; M313-L320 HydrophobicContact SD-CD2 4.48Å; A317-L320 HydrophobicContact CB-CD2 3.93Å; A317-L320 WeakPolarHBondContact O-CD2 3.34Å; A318-L320 PolarHBondContact O-N 3.27Å; L320-I331 HydrophobicContact CD1-CB 4.05Å; L320-I331 HydrophobicContact CD1-CD1 4.48Å; L320-I331 HydrophobicContact CD1-CG2 4.14Å; L320-A574 HydrophobicContact CD1-CB 3.49Å; L320-A574 VanDerWaalsContact CD1-CB 3.49Å; L320-A574 HydrophobicContact CG-CB 3.71Å
321S95.4Very high95Very high12 Ų1229.1 Ų29.18%0.08416%0.162CC..EExtended strand (participates in β ladder)trans-125.6149.8172.8-171.90000110.9I331 S332 H368 M370S321-I331 VanDerWaalsContact O-CA 3.28Å; S321-I331 WeakPolarHBondContact O-CA 3.42Å; S321-S332 PolarHBondContact N-O 2.93Å; S321-S332 PolarHBondContact O-N 2.82Å; S321-S332 VanDerWaalsContact O-N 3.1Å; S321-H368 WeakPolarHBondContact CB-O 3.25Å; S321-M370 WeakPolarHBondContact OG-CB 3.46Å; S321-M370 PolarHBondContact OG-N 2.62Å
322A96.6Very high95.1Very high7 Ų727.2 Ų27.26%0.05815%0.149CC..EExtended strand (participates in β ladder)trans-132.1151.5178.200000112L284 Y330 I331 A574 C576L284-A322 HydrophobicContact CD1-CB 3.76Å; A322-Y330 CarbonylContact C-O 3.55Å; A322-Y330 WeakPolarHBondContact CA-O 3.43Å; A322-I331 HydrophobicContact CB-CG2 3.91Å; A322-A574 HydrophobicContact CB-CB 3.84Å; A322-C576 HydrophobicContact CB-CB 4.34Å
323T96.4Very high95Very high17 Ų1722.9 Ų22.910%0.10413%0.128CC..EExtended strand (participates in β ladder)trans-153.5152.2167.9-160.60000110.5Y330 M370 T372 V377T323-Y330 PolarHBondContact N-O 3.44Å; T323-Y330 PolarHBondContact O-N 3.18Å; T323-M370 HydrophobicContact CG2-CB 3.94Å; T323-M370 HydrophobicContact CG2-CE 4.23Å; T323-T372 WeakPolarHBondContact CG2-OG1 2.99Å; T323-T372 PolarHBondContact OG1-N 3.05Å; T323-T372 PolarHBondContact OG1-OG1 3.39Å; T323-V377 HydrophobicContact CG2-CG1 3.73Å; T323-V377 HydrophobicContact CG2-CG2 4.2Å
324A95.8Very high95Very high23 Ų2322.5 Ų22.519%0.1913%0.126CC..EExtended strand (participates in β ladder)trans-101.4139.8178.100000111Y328 I329 T372 L577 A578A324-Y328 WeakPolarHBondContact CA-O 3.32Å; A324-I329 HydrophobicContact CB-CG1 4.31Å; A324-T372 VanDerWaalsContact O-CB 3.3Å; A324-T372 WeakPolarHBondContact O-CB 3.46Å; A324-T372 PolarHBondContact O-OG1 2.81Å; A324-L577 VanDerWaalsContact CB-O 3.23Å; A324-L577 WeakPolarHBondContact CB-O 3.48Å; A324-A578 HydrophobicContact CB-CB 3.88Å
325A92.6Very high94.9Very high11 Ų1120.8 Ų20.89%0.09112%0.115CC..EExtended strand (participates in β ladder)trans-143.2115171.700000110.2R327 Y328 Y330 T372 V377A325-R327 PolarHBondContact O-N 3.44Å; A325-Y328 PolarHBondContact N-O 3Å; A325-Y328 PolarHBondContact O-N 3Å; A325-Y328 VanDerWaalsContact O-N 3.14Å; A325-Y330 HydrophobicContact CB-CD2 4.26Å; A325-Y330 HydrophobicContact CB-CE2 3.9Å; A325-T372 HydrophobicContact CB-CG2 3.61Å; A325-V377 HydrophobicContact CB-CG2 3.96Å
326G89.1Confident94.9Very high55 Ų5520 Ų2057%0.56711%0.114SC*.THydrogen-bonded Turntrans60-127.7-175.500000111.4Y328 M350G326-Y328 VanDerWaalsContact C-N 3.28Å; G326-Y328 PolarHBondContact O-N 3.47Å; G326-M350 VanDerWaalsContact O-CE 3.3Å; G326-M350 WeakPolarHBondContact O-CE 3.3Å
327R90.4Very high94.6Very high46 Ų4620.2 Ų20.217%0.17412%0.12CC..THydrogen-bonded Turntrans-80.7-4.1178.785.4-178.5-141.1-165.64.8114.7D158 A325 D349 M350 D352D158-R327 VanDerWaalsContact OD2-CD 3.27Å; D158-R327 WeakPolarHBondContact OD2-CD 3.38Å; D158-R327 IonicContact OD2-CZ 2.69Å; D158-R327 IonicContact OD2-NH1 3.76Å; D158-R327 PolarHBondContact OD2-NH1 3.14Å; A325-R327 PolarHBondContact O-N 3.44Å; R327-D349 IonicContact CZ-OD1 2.85Å; R327-D349 IonicContact CZ-OD2 2.72Å; R327-D349 VanDerWaalsContact CZ-OD2 3.25Å; R327-D349 IonicContact NE-OD1 3.44Å; R327-D349 PolarHBondContact NE-OD1 2.93Å; R327-D349 IonicContact NE-OD2 3.69Å; R327-D349 PolarHBondContact NE-OD2 3.06Å; R327-D349 IonicContact NH2-OD1 2.71Å; R327-D349 IonicContact NH2-OD2 3.72Å; R327-D349 PolarHBondContact NH2-OD2 3.25Å; R327-M350 VanDerWaalsContact O-CB 3.31Å; R327-M350 WeakPolarHBondContact O-CB 3.4Å; R327-M350 VanDerWaalsContact O-CE 3.24Å; R327-M350 WeakPolarHBondContact O-CE 3.25Å; R327-M350 VanDerWaalsContact O-CG 3.29Å; R327-M350 WeakPolarHBondContact O-CG 3.47Å; R327-M350 PolarHBondContact O-N 3.48Å; R327-M350 VanDerWaalsContact O-N 3.11Å; R327-D352 IonicContact NH2-OD2 3.25Å
328Y94.9Very high94.2Very high59 Ų5927.4 Ų27.423%0.23115%0.153CC..EExtended strand (participates in β ladder)trans-112.5147.2-171.2-56.4-71.7000112.5A324 A325 G326 Y330 Y348 D349A324-Y328 WeakPolarHBondContact CA-O 3.32Å; A325-Y328 PolarHBondContact N-O 3Å; A325-Y328 PolarHBondContact O-N 3Å; A325-Y328 VanDerWaalsContact O-N 3.14Å; G326-Y328 VanDerWaalsContact C-N 3.28Å; G326-Y328 PolarHBondContact O-N 3.47Å; Y328-Y330 HydrophobicContact CG-CE2 4.47Å; Y328-Y348 CarbonylContact C-O 3.53Å; Y328-Y348 VanDerWaalsContact CA-O 3.26Å; Y328-Y348 WeakPolarHBondContact CA-O 3.09Å; Y328-D349 HydrophobicContact CD1-CB 4.22Å; Y328-D349 HydrophobicContact CE1-CB 4.15Å; Y328-D349 VanDerWaalsContact CE1-OD2 3.31Å; Y328-D349 WeakPolarHBondContact CE1-OD2 3.19Å
329I97.4Very high94Very high0 Ų031.5 Ų31.50%017%0.174CC..EExtended strand (participates in β ladder)trans-107.6128164.3-61.3173.1000107.9V282 L284 A324 R347 Y348 M350 A578V282-I329 HydrophobicContact CB-CD1 4.04Å; V282-I329 HydrophobicContact CG1-CD1 4.07Å; V282-I329 HydrophobicContact CG2-CD1 3.71Å; L284-I329 HydrophobicContact CD2-CG2 4.47Å; A324-I329 HydrophobicContact CB-CG1 4.31Å; I329-R347 CarbonylContact O-C 3.56Å; I329-R347 VanDerWaalsContact O-CA 3.3Å; I329-R347 WeakPolarHBondContact O-CA 3.5Å; I329-Y348 HydrophobicContact CB-CD1 4.29Å; I329-Y348 HydrophobicContact CD1-CD1 4.07Å; I329-Y348 HydrophobicContact CG1-CD1 4.39Å; I329-Y348 PolarHBondContact N-O 2.91Å; I329-Y348 PolarHBondContact O-N 3.01Å; I329-M350 HydrophobicContact CD1-CG 4.23Å; I329-M350 HydrophobicContact CD1-SD 4.01Å; I329-M350 HydrophobicContact CG1-CG 4.21Å; I329-M350 HydrophobicContact CG1-SD 4Å; I329-A578 HydrophobicContact CD1-CB 3.84Å; I329-A578 HydrophobicContact CG1-CB 4.09Å
330Y97.8Very high93.9Very high1 Ų133.7 Ų33.70%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-104.5131.3-179.8-67.6-97.9000109.4A322 T323 A325 Y328 W346 R347 L358 V377 Y396A322-Y330 CarbonylContact C-O 3.55Å; A322-Y330 WeakPolarHBondContact CA-O 3.43Å; T323-Y330 PolarHBondContact N-O 3.44Å; T323-Y330 PolarHBondContact O-N 3.18Å; A325-Y330 HydrophobicContact CB-CD2 4.26Å; A325-Y330 HydrophobicContact CB-CE2 3.9Å; Y328-Y330 HydrophobicContact CG-CE2 4.47Å; Y330-W346 WeakPolarHBondContact CA-O 3.4Å; Y330-R347 HydrophobicContact CD1-CB 4.01Å; Y330-R347 HydrophobicContact CE1-CB 3.91Å; Y330-L358 HydrophobicContact CD1-CD1 3.51Å; Y330-L358 HydrophobicContact CE1-CD1 3.7Å; Y330-V377 HydrophobicContact CD1-CG2 4.28Å; Y330-V377 HydrophobicContact CD2-CG2 3.59Å; Y330-V377 HydrophobicContact CE2-CG2 3.85Å; Y330-V377 HydrophobicContact CG-CG1 4.39Å; Y330-V377 HydrophobicContact CG-CG2 3.83Å; Y330-Y396 HydrophobicContact CE1-CD1 4.19Å; Y330-Y396 HydrophobicContact CE1-CE1 4.24Å
331I97.6Very high93.7Very high0 Ų033.7 Ų33.70%019%0.192CC..EExtended strand (participates in β ladder)trans-121.4153.3170.669.7175000110.8L284 M313 Y315 L320 S321 A322 A345 W346 W355L284-I331 HydrophobicContact CD2-CG2 3.86Å; M313-I331 HydrophobicContact CG-CD1 4.29Å; M313-I331 HydrophobicContact SD-CD1 3.72Å; Y315-I331 HydrophobicContact CE1-CD1 3.98Å; L320-I331 HydrophobicContact CD1-CB 4.05Å; L320-I331 HydrophobicContact CD1-CD1 4.48Å; L320-I331 HydrophobicContact CD1-CG2 4.14Å; S321-I331 VanDerWaalsContact O-CA 3.28Å; S321-I331 WeakPolarHBondContact O-CA 3.42Å; A322-I331 HydrophobicContact CB-CG2 3.91Å; I331-A345 WeakPolarHBondContact O-CA 3.33Å; I331-W346 HydrophobicContact CD1-CB 4.2Å; I331-W346 HydrophobicContact CG1-CB 3.82Å; I331-W346 PolarHBondContact N-O 3.39Å; I331-W346 PolarHBondContact O-N 3.19Å; I331-W355 HydrophobicContact CD1-CE3 4.39Å; I331-W355 HydrophobicContact CD1-CH2 3.61Å; I331-W355 HydrophobicContact CD1-CZ3 3.49Å; I331-W355 VanDerWaalsContact CD1-CZ3 3.49Å; I331-W355 HydrophobicContact CG1-CH2 4.13Å; I331-W355 HydrophobicContact CG1-CZ3 3.69Å; I331-W355 HydrophobicContact CG2-CH2 3.99Å; I331-W355 HydrophobicContact CG2-CZ3 4.22Å
332S97Very high93.7Very high0 Ų034.1 Ų34.10%019%0.193CC..EExtended strand (participates in β ladder)trans-155.1159.2169.365.30000113.1S321 T344 H368 M370S321-S332 PolarHBondContact N-O 2.93Å; S321-S332 PolarHBondContact O-N 2.82Å; S321-S332 VanDerWaalsContact O-N 3.1Å; S332-T344 WeakPolarHBondContact CA-O 3.47Å; S332-H368 PolarHBondContact O-CE1 2.91Å; S332-H368 PolarHBondContact O-NE2 2.96Å; S332-H368 PolarHBondContact OG-NE2 2.74Å; S332-M370 PolarHBondContact OG-SD 3.18Å
333G95.9Very high93.6Very high0 Ų038.9 Ų38.90%021%0.212CC..  trans64.4-150.1174.400000114Y315 L342 T344 L365Y315-G333 PolarHBondContact OH-O 3.26Å; Y315-G333 VanDerWaalsContact OH-O 3.08Å; G333-L342 VanDerWaalsContact CA-O 3.29Å; G333-L342 WeakPolarHBondContact CA-O 3.27Å; G333-T344 PolarHBondContact N-O 2.89Å; G333-L365 WeakPolarHBondContact CA-O 3.15Å
334G94.6Very high93.6Very high0 Ų039.4 Ų39.40%022%0.215CC..  trans104.7177.4-176.500000113.7A318 G341 L342 L365 V366A318-G334 CarbonylContact O-C 3.26Å; A318-G334 VanDerWaalsContact O-CA 3.27Å; A318-G334 WeakPolarHBondContact O-CA 3.43Å; G334-G341 PolarHBondContact O-N 2.98Å; G334-L342 PolarHBondContact O-N 3.36Å; G334-L365 PolarHBondContact N-O 2.82Å; G334-V366 WeakPolarHBondContact O-CG1 3.4Å
335T94Very high93.7Very high27 Ų2738.3 Ų38.317%0.16621%0.206CC..BIsolated β-bridgetrans-113.5140.2175-65.40000109.3F293 A317 A318 I339 S340 V366F293-T335 VanDerWaalsContact CD1-O 3.32Å; F293-T335 WeakPolarHBondContact CD1-O 3.28Å; F293-T335 HydrophobicContact CE1-CG2 4.03Å; F293-T335 WeakPolarHBondContact CE1-O 3.15Å; F293-T335 HydrophobicContact CZ-CG2 3.9Å; A317-T335 WeakPolarHBondContact CA-O 3.4Å; A317-T335 WeakPolarHBondContact CB-O 3.21Å; A318-T335 PolarHBondContact N-O 2.93Å; A318-T335 PolarHBondContact O-N 3.26Å; T335-I339 WeakPolarHBondContact CA-O 3.29Å; T335-S340 PolarHBondContact OG1-OG 2.79Å; T335-V366 WeakPolarHBondContact OG1-CG1 3.43Å
336T93.9Very high93.9Very high16 Ų1640 Ų4010%0.09821%0.21CC..  trans-118-179.2174.261.50000109.1F293 Y315 R316 A317 Q338 I339 L342F293-T336 WeakPolarHBondContact CZ-O 3.18Å; Y315-T336 HydrophobicContact CD2-CG2 4.37Å; R316-T336 WeakPolarHBondContact O-CG2 3.42Å; A317-T336 HydrophobicContact CB-CG2 4.29Å; T336-Q338 PolarHBondContact O-N 2.71Å; T336-Q338 PolarHBondContact OG1-N 3.37Å; T336-I339 PolarHBondContact N-O 2.84Å; T336-I339 PolarHBondContact OG1-N 2.82Å; T336-I339 PolarHBondContact OG1-O 2.85Å; T336-L342 HydrophobicContact CG2-CD1 3.46Å; T336-L342 VanDerWaalsContact CG2-CD1 3.46Å; T336-L342 HydrophobicContact CG2-CD2 4.29Å; T336-L342 HydrophobicContact CG2-CG 4.05Å
337E89.7Confident94.3Very high128 Ų12840 Ų4060%0.59819%0.193SC*.SBendtrans-61.7-33.5173.1-63.8177.4176.400112.3F293F293-E337 HydrophobicContact CD2-CB 4.45Å; F293-E337 HydrophobicContact CD2-CG 3.46Å; F293-E337 VanDerWaalsContact CD2-CG 3.46Å; F293-E337 HydrophobicContact CE2-CB 4.39Å; F293-E337 HydrophobicContact CE2-CG 3.77Å
338Q88.3Confident94.7Very high150 Ų15037.8 Ų37.870%0.70119%0.185SC*.SBendtrans-97.4-34-172.8-5977.713.700113.2T336T336-Q338 PolarHBondContact O-N 2.71Å; T336-Q338 PolarHBondContact OG1-N 3.37Å
339I89.2Confident94.7Very high90 Ų9035.5 Ų35.546%0.46218%0.176SC..  trans-135.3126.8-168.8-57.4174000110T335 T336 L342T335-I339 WeakPolarHBondContact CA-O 3.29Å; T336-I339 PolarHBondContact N-O 2.84Å; T336-I339 PolarHBondContact OG1-N 2.82Å; T336-I339 PolarHBondContact OG1-O 2.85Å; I339-L342 HydrophobicContact CB-CD2 4.12Å; I339-L342 HydrophobicContact CD1-CD2 4.34Å; I339-L342 HydrophobicContact CG2-CD2 4.07Å
340S90.1Very high94.5Very high55 Ų5535.6 Ų35.639%0.38518%0.177SC..BIsolated β-bridgetrans-101.5119.5166.3-170.30000109.9T335 A385T335-S340 PolarHBondContact OG1-OG 2.79Å; S340-A385 WeakPolarHBondContact O-CB 3.36Å
341G91.3Very high94.1Very high11 Ų1135.8 Ų35.811%0.11318%0.178CC..SBendtrans93.265.8-172.300000111.9G334 G364G334-G341 PolarHBondContact O-N 2.98Å; G341-G364 CarbonylContact O-C 3.58Å; G341-G364 WeakPolarHBondContact O-CA 3.26Å
342L94.5Very high93.8Very high21 Ų2140 Ų4011%0.1120%0.2CC..BIsolated β-bridgetrans-68.2145.3172-74.1176.3000111.6Y315 G333 G334 T336 I339 G364 L365Y315-L342 HydrophobicContact CD2-CD1 3.66Å; Y315-L342 HydrophobicContact CE2-CD1 3.4Å; Y315-L342 VanDerWaalsContact CE2-CD1 3.4Å; G333-L342 VanDerWaalsContact CA-O 3.29Å; G333-L342 WeakPolarHBondContact CA-O 3.27Å; G334-L342 PolarHBondContact O-N 3.36Å; T336-L342 HydrophobicContact CG2-CD1 3.46Å; T336-L342 VanDerWaalsContact CG2-CD1 3.46Å; T336-L342 HydrophobicContact CG2-CD2 4.29Å; T336-L342 HydrophobicContact CG2-CG 4.05Å; I339-L342 HydrophobicContact CB-CD2 4.12Å; I339-L342 HydrophobicContact CD1-CD2 4.34Å; I339-L342 HydrophobicContact CG2-CD2 4.07Å; L342-G364 CarbonylContact O-C 3.52Å; L342-G364 WeakPolarHBondContact O-CA 3.24Å; L342-L365 PolarHBondContact O-N 3.21Å
343K95.9Very high93.6Very high107 Ų10741.8 Ų41.847%0.46521%0.21SC..  trans-88.7-17.1169.5-63.3-174.3179.1-168.50112.8A345 D360 L361K343-A345 PolarHBondContact O-N 3.33Å; K343-D360 HydrophobicContact CB-CB 4.02Å; K343-D360 CarbonylContact O-C 3.43Å; K343-D360 WeakPolarHBondContact O-CA 3.49Å; K343-L361 WeakPolarHBondContact O-CB 3.3Å; K343-L361 PolarHBondContact O-N 2.88Å
344T96Very high93.6Very high27 Ų2744 Ų4417%0.16623%0.226CC..  trans-62.7138.4-170.452.80000112S332 G333 D360S332-T344 WeakPolarHBondContact CA-O 3.47Å; G333-T344 PolarHBondContact N-O 2.89Å; T344-D360 WeakPolarHBondContact CA-OD1 3.3Å
345A97.4Very high93.7Very high0 Ų045.9 Ų45.90%023%0.233CC..EExtended strand (participates in β ladder)trans-124.6146.6169.900000109.4I331 K343 L358 W403I331-A345 WeakPolarHBondContact O-CA 3.33Å; K343-A345 PolarHBondContact O-N 3.33Å; A345-L358 HydrophobicContact CB-CB 3.99Å; A345-L358 WeakPolarHBondContact O-CB 3.49Å; A345-L358 PolarHBondContact O-N 2.65Å; A345-W403 HydrophobicContact CB-CZ2 4.05Å
346W97.8Very high93.9Very high46 Ų4647.5 Ų47.517%0.17424%0.243CC..EExtended strand (participates in β ladder)trans-141.5150180-64.581.2000109.9P314 Y315 Y330 I331 W355 T356 K357P314-W346 HydrophobicContact CB-CD2 4.24Å; P314-W346 HydrophobicContact CB-CE3 4.21Å; P314-W346 HydrophobicContact CB-CH2 3.62Å; P314-W346 HydrophobicContact CB-CZ2 3.65Å; P314-W346 HydrophobicContact CB-CZ3 3.9Å; P314-W346 HydrophobicContact CG-CD2 3.72Å; P314-W346 HydrophobicContact CG-CE3 3.49Å; P314-W346 VanDerWaalsContact CG-CE3 3.49Å; P314-W346 HydrophobicContact CG-CG 4.43Å; P314-W346 HydrophobicContact CG-CH2 3.83Å; P314-W346 HydrophobicContact CG-CZ2 4.03Å; P314-W346 HydrophobicContact CG-CZ3 3.54Å; Y315-W346 AromaticContact CD1-NE1 3.76Å; Y315-W346 AromaticContact CE1-CD1 3.45Å; Y315-W346 VanDerWaalsContact CE1-CD1 3.45Å; Y315-W346 HydrophobicContact CE1-CG 4.4Å; Y315-W346 AromaticContact CE1-NE1 3.54Å; Y330-W346 WeakPolarHBondContact CA-O 3.4Å; I331-W346 HydrophobicContact CD1-CB 4.2Å; I331-W346 HydrophobicContact CG1-CB 3.82Å; I331-W346 PolarHBondContact N-O 3.39Å; I331-W346 PolarHBondContact O-N 3.19Å; W346-W355 HydrophobicContact CB-CE3 3.79Å; W346-W355 HydrophobicContact CB-CZ3 4Å; W346-W355 HydrophobicContact CE3-CB 4.27Å; W346-T356 VanDerWaalsContact CE3-C 3.44Å; W346-K357 HydrophobicContact CD2-CB 4.15Å; W346-K357 HydrophobicContact CD2-CG 4.21Å; W346-K357 HydrophobicContact CE3-CB 3.74Å; W346-K357 HydrophobicContact CE3-CG 4.3Å; W346-K357 VanDerWaalsContact CE3-N 3.26Å; W346-K357 HydrophobicContact CH2-CB 3.72Å; W346-K357 HydrophobicContact CH2-CD 4.15Å; W346-K357 HydrophobicContact CH2-CG 4.05Å; W346-K357 HydrophobicContact CZ2-CB 4.12Å; W346-K357 HydrophobicContact CZ2-CD 3.96Å; W346-K357 HydrophobicContact CZ2-CG 3.93Å; W346-K357 HydrophobicContact CZ3-CB 3.52Å; W346-K357 HydrophobicContact CZ3-CG 4.24Å
347R97.2Very high94Very high56 Ų5652.2 Ų52.221%0.21126%0.262CS..EExtended strand (participates in β ladder)trans-112.9138.6165.263.6179.9155.6-156.1-8.6109.9I329 Y330 W355 T356 L358I329-R347 CarbonylContact O-C 3.56Å; I329-R347 VanDerWaalsContact O-CA 3.3Å; I329-R347 WeakPolarHBondContact O-CA 3.5Å; Y330-R347 HydrophobicContact CD1-CB 4.01Å; Y330-R347 HydrophobicContact CE1-CB 3.91Å; R347-W355 WeakPolarHBondContact O-CA 3.07Å; R347-T356 PolarHBondContact N-O 3.02Å; R347-T356 PolarHBondContact O-N 3.37Å; R347-L358 HydrophobicContact CB-CD1 4.06Å; R347-L358 HydrophobicContact CB-CD2 4.46Å; R347-L358 HydrophobicContact CB-CG 4.29Å; R347-L358 HydrophobicContact CG-CD1 4.46Å; R347-L358 HydrophobicContact CG-CD2 3.98Å; R347-L358 HydrophobicContact CG-CG 4.2Å
348Y97.6Very high94.4Very high0 Ų046.4 Ų46.40%024%0.235CC..EExtended strand (participates in β ladder)trans-102.7128.2170.9172.4-103.5000108.9L310 Y328 I329 M350 N353 S354 W355L310-Y348 HydrophobicContact CD1-CE1 4.07Å; Y328-Y348 CarbonylContact C-O 3.53Å; Y328-Y348 VanDerWaalsContact CA-O 3.26Å; Y328-Y348 WeakPolarHBondContact CA-O 3.09Å; I329-Y348 HydrophobicContact CB-CD1 4.29Å; I329-Y348 HydrophobicContact CD1-CD1 4.07Å; I329-Y348 HydrophobicContact CG1-CD1 4.39Å; I329-Y348 PolarHBondContact N-O 2.91Å; I329-Y348 PolarHBondContact O-N 3.01Å; Y348-M350 HydrophobicContact CD1-CG 4.07Å; Y348-M350 HydrophobicContact CE1-CB 4.47Å; Y348-M350 HydrophobicContact CE1-CG 3.94Å; Y348-N353 PolarHBondContact OH-OD1 2.98Å; Y348-S354 WeakPolarHBondContact CA-O 3.35Å; Y348-S354 WeakPolarHBondContact CD2-O 3.07Å; Y348-W355 AromaticContact CD2-CD2 3.97Å; Y348-W355 HydrophobicContact CD2-CD2 3.97Å; Y348-W355 AromaticContact CD2-CE2 3.61Å; Y348-W355 HydrophobicContact CD2-CG 4.24Å; Y348-W355 AromaticContact CD2-CZ2 3.99Å; Y348-W355 HydrophobicContact CD2-CZ2 3.99Å; Y348-W355 AromaticContact CD2-NE1 3.63Å; Y348-W355 HydrophobicContact CG-CD2 4.4Å; Y348-W355 HydrophobicContact CG-CH2 4.37Å; Y348-W355 HydrophobicContact CG-CZ2 4.1Å
349D95.1Very high94.8Very high10 Ų1041.4 Ų41.45%0.05322%0.215CC..EExtended strand (participates in β ladder)trans-89.3113.5175.6-163.1-36.1000110.2R327 Y328 D351 D352 N353 S354R327-D349 IonicContact CZ-OD1 2.85Å; R327-D349 IonicContact CZ-OD2 2.72Å; R327-D349 VanDerWaalsContact CZ-OD2 3.25Å; R327-D349 IonicContact NE-OD1 3.44Å; R327-D349 PolarHBondContact NE-OD1 2.93Å; R327-D349 IonicContact NE-OD2 3.69Å; R327-D349 PolarHBondContact NE-OD2 3.06Å; R327-D349 IonicContact NH2-OD1 2.71Å; R327-D349 IonicContact NH2-OD2 3.72Å; R327-D349 PolarHBondContact NH2-OD2 3.25Å; Y328-D349 HydrophobicContact CD1-CB 4.22Å; Y328-D349 HydrophobicContact CE1-CB 4.15Å; Y328-D349 VanDerWaalsContact CE1-OD2 3.31Å; Y328-D349 WeakPolarHBondContact CE1-OD2 3.19Å; D349-D351 PolarHBondContact O-N 3.02Å; D349-D351 WeakPolarHBondContact OD1-CA 3.32Å; D349-D351 WeakPolarHBondContact OD1-CB 3.37Å; D349-D351 PolarHBondContact OD1-N 2.92Å; D349-D352 HydrophobicContact CB-CB 4.23Å; D349-D352 PolarHBondContact O-N 2.77Å; D349-D352 PolarHBondContact OD1-N 3.05Å; D349-N353 WeakPolarHBondContact O-CA 3.33Å; D349-N353 PolarHBondContact O-N 2.78Å; D349-S354 PolarHBondContact N-O 3.17Å; D349-S354 PolarHBondContact O-N 3.35Å
350M93.6Very high95.2Very high3 Ų340.7 Ų40.72%0.01521%0.213CC..THydrogen-bonded Turntrans-70.6-18.8179-60.6-171.8-71.600112.4G326 R327 I329 Y348 A578 K579 L580 P581 I584G326-M350 VanDerWaalsContact O-CE 3.3Å; G326-M350 WeakPolarHBondContact O-CE 3.3Å; R327-M350 VanDerWaalsContact O-CB 3.31Å; R327-M350 WeakPolarHBondContact O-CB 3.4Å; R327-M350 VanDerWaalsContact O-CE 3.24Å; R327-M350 WeakPolarHBondContact O-CE 3.25Å; R327-M350 VanDerWaalsContact O-CG 3.29Å; R327-M350 WeakPolarHBondContact O-CG 3.47Å; R327-M350 PolarHBondContact O-N 3.48Å; R327-M350 VanDerWaalsContact O-N 3.11Å; I329-M350 HydrophobicContact CD1-CG 4.23Å; I329-M350 HydrophobicContact CD1-SD 4.01Å; I329-M350 HydrophobicContact CG1-CG 4.21Å; I329-M350 HydrophobicContact CG1-SD 4Å; Y348-M350 HydrophobicContact CD1-CG 4.07Å; Y348-M350 HydrophobicContact CE1-CB 4.47Å; Y348-M350 HydrophobicContact CE1-CG 3.94Å; M350-A578 HydrophobicContact SD-CB 3.79Å; M350-K579 VanDerWaalsContact CE-O 3.3Å; M350-K579 WeakPolarHBondContact CE-O 3.31Å; M350-L580 HydrophobicContact SD-CD1 3.78Å; M350-L580 HydrophobicContact SD-CG 3.99Å; M350-P581 WeakPolarHBondContact O-CG 3.44Å; M350-I584 VanDerWaalsContact O-CD1 3.3Å; M350-I584 WeakPolarHBondContact O-CD1 3.3Å
351D90.4Very high95.5Very high4 Ų438.2 Ų38.22%0.02120%0.195CC..THydrogen-bonded Turntrans-80.9-41.5176.5-86.6-38.5000112.5H190 D349 K583H190-D351 IonicContact CE1-OD1 3.05Å; H190-D351 IonicContact CE1-OD2 3.61Å; H190-D351 PolarHBondContact CE1-OD2 3.07Å; H190-D351 VanDerWaalsContact CE1-OD2 3.29Å; H190-D351 IonicContact NE2-OD1 3.09Å; H190-D351 PolarHBondContact NE2-OD1 2.84Å; H190-D351 VanDerWaalsContact NE2-OD1 3.16Å; H190-D351 IonicContact NE2-OD2 2.74Å; H190-D351 PolarHBondContact NE2-OD2 2.89Å; D349-D351 PolarHBondContact O-N 3.02Å; D349-D351 WeakPolarHBondContact OD1-CA 3.32Å; D349-D351 WeakPolarHBondContact OD1-CB 3.37Å; D349-D351 PolarHBondContact OD1-N 2.92Å; D351-K583 VanDerWaalsContact CA-CE 3.49Å; D351-K583 VanDerWaalsContact CA-NZ 3.29Å; D351-K583 VanDerWaalsContact CB-NZ 3.25Å; D351-K583 VanDerWaalsContact CG-NZ 3.3Å; D351-K583 WeakPolarHBondContact O-CE 3.48Å; D351-K583 PolarHBondContact O-NZ 3.34Å; D351-K583 WeakPolarHBondContact OD1-CE 3.36Å; D351-K583 IonicContact OD1-NZ 3.91Å; D351-K583 PolarHBondContact OD1-NZ 3.25Å
352D90.7Very high95.7Very high88 Ų8840.6 Ų40.647%0.47121%0.208SC..THydrogen-bonded Turntrans-95.2-13.5-174.1-66.1-29.7000112.5R327 D349 S354 R587R327-D352 IonicContact NH2-OD2 3.25Å; D349-D352 HydrophobicContact CB-CB 4.23Å; D349-D352 PolarHBondContact O-N 2.77Å; D349-D352 PolarHBondContact OD1-N 3.05Å; D352-S354 VanDerWaalsContact C-N 3.31Å; D352-R587 PolarHBondContact O-NH1 2.94Å
353N92.5Very high95.7Very high38 Ų3841.4 Ų41.420%0.20321%0.213CC..THydrogen-bonded Turntrans55.847.4-171.8-174.533.7000110.7S311 Y348 D349 R587S311-N353 VanDerWaalsContact CB-O 3.3Å; S311-N353 WeakPolarHBondContact CB-O 3.3Å; S311-N353 VanDerWaalsContact CB-OD1 3.3Å; S311-N353 WeakPolarHBondContact CB-OD1 3.47Å; S311-N353 PolarHBondContact N-OD1 3.46Å; S311-N353 PolarHBondContact OG-ND2 3.03Å; S311-N353 PolarHBondContact OG-O 3.17Å; S311-N353 PolarHBondContact OG-OD1 3.23Å; Y348-N353 PolarHBondContact OH-OD1 2.98Å; D349-N353 WeakPolarHBondContact O-CA 3.33Å; D349-N353 PolarHBondContact O-N 2.78Å; N353-R587 VanDerWaalsContact CB-NH1 3.27Å
354S95Very high95.7Very high47 Ų4736.8 Ų36.833%0.32920%0.195SC..EExtended strand (participates in β ladder)trans-139.2156.8-173.473.50000112.3Y348 D349 D352Y348-S354 WeakPolarHBondContact CA-O 3.35Å; Y348-S354 WeakPolarHBondContact CD2-O 3.07Å; D349-S354 PolarHBondContact N-O 3.17Å; D349-S354 PolarHBondContact O-N 3.35Å; D352-S354 VanDerWaalsContact C-N 3.31Å
355W97.8Very high95.6Very high40 Ų4035.6 Ų35.615%0.15219%0.188CC..EExtended strand (participates in β ladder)trans-106.7136.4-179-71.695.8000111L284 V297 S311 E312 M313 P314 I331 W346 R347 Y348L284-W355 HydrophobicContact CD2-CH2 3.72Å; L284-W355 HydrophobicContact CD2-CZ2 4.03Å; V297-W355 HydrophobicContact CG2-CZ2 3.93Å; S311-W355 PolarHBondContact O-NE1 2.76Å; E312-W355 PolarHBondContact O-NE1 3.26Å; M313-W355 HydrophobicContact CG-CH2 4.2Å; M313-W355 HydrophobicContact CG-CZ2 3.82Å; P314-W355 HydrophobicContact CG-CB 3.74Å; P314-W355 HydrophobicContact CG-CD2 4.28Å; P314-W355 HydrophobicContact CG-CG 3.9Å; I331-W355 HydrophobicContact CD1-CE3 4.39Å; I331-W355 HydrophobicContact CD1-CH2 3.61Å; I331-W355 HydrophobicContact CD1-CZ3 3.49Å; I331-W355 VanDerWaalsContact CD1-CZ3 3.49Å; I331-W355 HydrophobicContact CG1-CH2 4.13Å; I331-W355 HydrophobicContact CG1-CZ3 3.69Å; I331-W355 HydrophobicContact CG2-CH2 3.99Å; I331-W355 HydrophobicContact CG2-CZ3 4.22Å; W346-W355 HydrophobicContact CB-CE3 3.79Å; W346-W355 HydrophobicContact CB-CZ3 4Å; W346-W355 HydrophobicContact CE3-CB 4.27Å; R347-W355 WeakPolarHBondContact O-CA 3.07Å; Y348-W355 AromaticContact CD2-CD2 3.97Å; Y348-W355 HydrophobicContact CD2-CD2 3.97Å; Y348-W355 AromaticContact CD2-CE2 3.61Å; Y348-W355 HydrophobicContact CD2-CG 4.24Å; Y348-W355 AromaticContact CD2-CZ2 3.99Å; Y348-W355 HydrophobicContact CD2-CZ2 3.99Å; Y348-W355 AromaticContact CD2-NE1 3.63Å; Y348-W355 HydrophobicContact CG-CD2 4.4Å; Y348-W355 HydrophobicContact CG-CH2 4.37Å; Y348-W355 HydrophobicContact CG-CZ2 4.1Å
356T97.4Very high95.5Very high61 Ų6135.9 Ų35.937%0.37419%0.189SC..EExtended strand (participates in β ladder)trans-122.4130172.7-60.70000109.4W346 R347W346-T356 VanDerWaalsContact CE3-C 3.44Å; R347-T356 PolarHBondContact N-O 3.02Å; R347-T356 PolarHBondContact O-N 3.37Å
357K97.4Very high95.2Very high115 Ų11536.6 Ų36.650%0.519%0.194SC..EExtended strand (participates in β ladder)trans-68.3134.1176.9-168171.6177.7-176.70109.6W346W346-K357 HydrophobicContact CD2-CB 4.15Å; W346-K357 HydrophobicContact CD2-CG 4.21Å; W346-K357 HydrophobicContact CE3-CB 3.74Å; W346-K357 HydrophobicContact CE3-CG 4.3Å; W346-K357 VanDerWaalsContact CE3-N 3.26Å; W346-K357 HydrophobicContact CH2-CB 3.72Å; W346-K357 HydrophobicContact CH2-CD 4.15Å; W346-K357 HydrophobicContact CH2-CG 4.05Å; W346-K357 HydrophobicContact CZ2-CB 4.12Å; W346-K357 HydrophobicContact CZ2-CD 3.96Å; W346-K357 HydrophobicContact CZ2-CG 3.93Å; W346-K357 HydrophobicContact CZ3-CB 3.52Å; W346-K357 HydrophobicContact CZ3-CG 4.24Å
358L97.3Very high95.1Very high6 Ų634.3 Ų34.33%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-101.5164.1171.8-67.4-178.6000110.3Y330 A345 R347 D360 Y396Y330-L358 HydrophobicContact CD1-CD1 3.51Å; Y330-L358 HydrophobicContact CE1-CD1 3.7Å; A345-L358 HydrophobicContact CB-CB 3.99Å; A345-L358 WeakPolarHBondContact O-CB 3.49Å; A345-L358 PolarHBondContact O-N 2.65Å; R347-L358 HydrophobicContact CB-CD1 4.06Å; R347-L358 HydrophobicContact CB-CD2 4.46Å; R347-L358 HydrophobicContact CB-CG 4.29Å; R347-L358 HydrophobicContact CG-CD1 4.46Å; R347-L358 HydrophobicContact CG-CD2 3.98Å; R347-L358 HydrophobicContact CG-CG 4.2Å; L358-D360 PolarHBondContact O-N 3.31Å; L358-Y396 HydrophobicContact CD2-CE1 4.44Å
359P97.1Very high95Very high44 Ų4434.6 Ų34.629%0.28619%0.188SC..PPolyproline II helixtrans-50137.7165.8-22.928.8000111.4Y396 E401 W403P359-Y396 HydrophobicContact CG-CE2 4.25Å; P359-E401 WeakPolarHBondContact CB-O 3.44Å; P359-E401 VanDerWaalsContact CG-C 3.46Å; P359-E401 HydrophobicContact CG-CB 4.21Å; P359-E401 WeakPolarHBondContact CG-O 3.34Å; P359-W403 PolarHBondContact O-NE1 3.35Å
360D97.1Very high95.1Very high76 Ų7634.6 Ų34.641%0.40619%0.187SC..PPolyproline II helixtrans-65.8147.8179.2-70.8-17.6000111.1K343 T344 L358K343-D360 HydrophobicContact CB-CB 4.02Å; K343-D360 CarbonylContact O-C 3.43Å; K343-D360 WeakPolarHBondContact O-CA 3.49Å; T344-D360 WeakPolarHBondContact CA-OD1 3.3Å; L358-D360 PolarHBondContact O-N 3.31Å
361L96.4Very high95.2Very high3 Ų335.1 Ų35.12%0.01619%0.191CC..PPolyproline II helixtrans-60.2148.6168.7-74.4153.5000110.5K343 I363 L365 W403K343-L361 WeakPolarHBondContact O-CB 3.3Å; K343-L361 PolarHBondContact O-N 2.88Å; L361-I363 VanDerWaalsContact CB-O 3.26Å; L361-I363 WeakPolarHBondContact CB-O 3.37Å; L361-I363 PolarHBondContact O-N 2.85Å; L361-L365 HydrophobicContact CD1-CD1 4.34Å; L361-L365 HydrophobicContact CD2-CD1 4.48Å; L361-W403 HydrophobicContact CD2-CD2 3.81Å; L361-W403 HydrophobicContact CD2-CE3 4Å; L361-W403 HydrophobicContact CD2-CG 4.12Å; L361-W403 HydrophobicContact CD2-CZ3 4.44Å; L361-W403 HydrophobicContact CG-CD2 4.48Å
362P95.6Very high95.4Very high60 Ų6036.3 Ų36.339%0.3920%0.198SC..SBendtrans-61.3-32.6177.6-2638.2000112.8Y394 W403P362-Y394 HydrophobicContact CB-CE1 4.02Å; P362-Y394 HydrophobicContact CG-CD1 3.91Å; P362-Y394 HydrophobicContact CG-CE1 3.59Å; P362-W403 HydrophobicContact CG-CB 4.29Å
363I94.8Very high95.5Very high39 Ų3932.3 Ų32.320%0.218%0.177CC..SBendtrans-128.3149.7178.660.6172.6000110.4L361 L365 I384 V390 Y394L361-I363 VanDerWaalsContact CB-O 3.26Å; L361-I363 WeakPolarHBondContact CB-O 3.37Å; L361-I363 PolarHBondContact O-N 2.85Å; I363-L365 HydrophobicContact CD1-CD2 3.76Å; I363-L365 HydrophobicContact CD1-CG 4.4Å; I363-L365 HydrophobicContact CG1-CD1 4.38Å; I363-L365 HydrophobicContact CG1-CD2 3.97Å; I363-L365 HydrophobicContact CG1-CG 4.09Å; I363-I384 HydrophobicContact CD1-CG2 4.42Å; I363-V390 HydrophobicContact CD1-CB 4.34Å; I363-V390 HydrophobicContact CD1-CG1 4.06Å; I363-V390 HydrophobicContact CD1-CG2 4.1Å; I363-Y394 HydrophobicContact CD1-CE2 3.81Å; I363-Y394 HydrophobicContact CG1-CE2 3.74Å
364G94.6Very high95.3Very high10 Ų1032.3 Ų32.310%0.10319%0.186CC..  trans-86.7125.5-178.900000111.2G341 L342 I384G341-G364 CarbonylContact O-C 3.58Å; G341-G364 WeakPolarHBondContact O-CA 3.26Å; L342-G364 CarbonylContact O-C 3.52Å; L342-G364 WeakPolarHBondContact O-CA 3.24Å; G364-I384 VanDerWaalsContact O-CG2 3.25Å; G364-I384 WeakPolarHBondContact O-CG2 3.31Å
365L95.6Very high94.9Very high1 Ų132.2 Ų32.21%0.00519%0.192CC..BIsolated β-bridgetrans-123.5144.7-165.3-66.8171.8000112.9G333 G334 L342 L361 I363 H368 I384 V390G333-L365 WeakPolarHBondContact CA-O 3.15Å; G334-L365 PolarHBondContact N-O 2.82Å; L342-L365 PolarHBondContact O-N 3.21Å; L361-L365 HydrophobicContact CD1-CD1 4.34Å; L361-L365 HydrophobicContact CD2-CD1 4.48Å; I363-L365 HydrophobicContact CD1-CD2 3.76Å; I363-L365 HydrophobicContact CD1-CG 4.4Å; I363-L365 HydrophobicContact CG1-CD1 4.38Å; I363-L365 HydrophobicContact CG1-CD2 3.97Å; I363-L365 HydrophobicContact CG1-CG 4.09Å; L365-H368 HydrophobicContact CB-CB 4.24Å; L365-H368 HydrophobicContact CD1-CB 4.23Å; L365-I384 HydrophobicContact CD2-CG2 4.13Å; L365-V390 HydrophobicContact CD2-CG2 3.69Å
366V94.3Very high94.7Very high6 Ų632.6 Ų32.64%0.03620%0.199CC..BIsolated β-bridgetrans-129.6152165.2-67.20000109.7G334 T335 H368 G382 S383G334-V366 WeakPolarHBondContact O-CG1 3.4Å; T335-V366 WeakPolarHBondContact OG1-CG1 3.43Å; V366-H368 PolarHBondContact O-N 3.29Å; V366-G382 WeakPolarHBondContact O-CA 3.35Å; V366-S383 VanDerWaalsContact CG2-O 3.32Å; V366-S383 WeakPolarHBondContact CG2-O 3.29Å; V366-S383 WeakPolarHBondContact CG2-OG 3.23Å; V366-S383 PolarHBondContact N-O 3.34Å; V366-S383 PolarHBondContact O-N 3.1Å
367F92.6Very high94.7Very high62 Ų6229.9 Ų29.927%0.27218%0.182SC..SBendtrans53.620.6179-55.8-71.7000114.4A319 D414 G415 R432A319-F367 HydrophobicContact CB-CD1 3.7Å; A319-F367 HydrophobicContact CB-CD2 4.32Å; A319-F367 HydrophobicContact CB-CE1 3.43Å; A319-F367 VanDerWaalsContact CB-CE1 3.43Å; A319-F367 HydrophobicContact CB-CE2 4.08Å; A319-F367 HydrophobicContact CB-CG 4.14Å; A319-F367 HydrophobicContact CB-CZ 3.63Å; A319-F367 PolarHBondContact O-N 3.39Å; F367-D414 HydrophobicContact CB-CB 3.97Å; F367-G415 PolarHBondContact O-N 2.69Å; F367-R432 VanDerWaalsContact CG-NH2 3.3Å
368H95.1Very high94.7Very high7 Ų724.8 Ų24.83%0.03216%0.16CC..  trans-72.4167.2167.861.9-66.5000109.9S321 S332 L365 V366 S379 G381S321-H368 WeakPolarHBondContact CB-O 3.25Å; S332-H368 PolarHBondContact O-CE1 2.91Å; S332-H368 PolarHBondContact O-NE2 2.96Å; S332-H368 PolarHBondContact OG-NE2 2.74Å; L365-H368 HydrophobicContact CB-CB 4.24Å; L365-H368 HydrophobicContact CD1-CB 4.23Å; V366-H368 PolarHBondContact O-N 3.29Å; H368-S379 PolarHBondContact CD2-OG 3.26Å; H368-S379 VanDerWaalsContact CD2-OG 3.23Å; H368-G381 VanDerWaalsContact CB-O 3.29Å; H368-G381 WeakPolarHBondContact CB-O 3.4Å
369T94.9Very high94.7Very high7 Ų724.5 Ų24.54%0.04316%0.159CC..EExtended strand (participates in β ladder)trans-116.1126.5173.6-60.60000110.5V380 T416 V418 R468T369-V380 PolarHBondContact N-O 3.5Å; T369-V380 WeakPolarHBondContact O-CB 3.3Å; T369-V380 PolarHBondContact O-N 3.07Å; T369-T416 PolarHBondContact OG1-O 2.88Å; T369-T416 PolarHBondContact OG1-OG1 3.1Å; T369-V418 HydrophobicContact CG2-CB 3.9Å; T369-V418 HydrophobicContact CG2-CG2 3.62Å; T369-R468 PolarHBondContact OG1-NH2 2.66Å; T369-R468 VanDerWaalsContact OG1-NH2 3.16Å
370M96.2Very high94.7Very high9 Ų922.4 Ų22.44%0.04415%0.145CC..EExtended strand (participates in β ladder)trans-94.3141.2168.8-69.317973.600110.3S321 T323 S332 V377 Y378 W403S321-M370 WeakPolarHBondContact OG-CB 3.46Å; S321-M370 PolarHBondContact OG-N 2.62Å; T323-M370 HydrophobicContact CG2-CB 3.94Å; T323-M370 HydrophobicContact CG2-CE 4.23Å; S332-M370 PolarHBondContact OG-SD 3.18Å; M370-V377 HydrophobicContact CE-CG1 3.45Å; M370-V377 VanDerWaalsContact CE-CG1 3.45Å; M370-Y378 CarbonylContact C-O 3.51Å; M370-Y378 WeakPolarHBondContact CA-O 3.18Å; M370-W403 HydrophobicContact CE-CH2 3.95Å
371V95.5Very high94.6Very high15 Ų1518.8 Ų18.89%0.09113%0.126CC..EExtended strand (participates in β ladder)trans-148.3142.4179.666.20000110.1Y378 V380 V418 T420 L426V371-Y378 PolarHBondContact N-O 3.44Å; V371-Y378 PolarHBondContact O-N 3.29Å; V371-V380 HydrophobicContact CG1-CG2 4.35Å; V371-V418 HydrophobicContact CB-CG1 4.21Å; V371-V418 HydrophobicContact CG1-CG1 3.96Å; V371-V418 HydrophobicContact CG2-CG1 4.22Å; V371-T420 HydrophobicContact CG2-CG2 3.46Å; V371-T420 VanDerWaalsContact CG2-CG2 3.46Å; V371-L426 HydrophobicContact CG1-CD1 4.12Å; V371-L426 HydrophobicContact CG1-CD2 3.85Å
372T95.2Very high94.5Very high28 Ų2818.7 Ų18.717%0.17213%0.125CC..EExtended strand (participates in β ladder)trans-97.2127.6171.3-590000109.6T323 A324 A325 T376T323-T372 WeakPolarHBondContact CG2-OG1 2.99Å; T323-T372 PolarHBondContact OG1-N 3.05Å; T323-T372 PolarHBondContact OG1-OG1 3.39Å; A324-T372 VanDerWaalsContact O-CB 3.3Å; A324-T372 WeakPolarHBondContact O-CB 3.46Å; A324-T372 PolarHBondContact O-OG1 2.81Å; A325-T372 HydrophobicContact CB-CG2 3.61Å; T372-T376 CarbonylContact C-O 3.51Å; T372-T376 WeakPolarHBondContact CA-O 3.37Å
373C93.8Very high94.4Very high4 Ų416 Ų163%0.02711%0.108CC..EExtended strand (participates in β ladder)trans-136.6128.6174.3-174.80000109.6G375 T376 Y378 T420 L426C373-G375 PolarHBondContact O-N 3.09Å; C373-T376 PolarHBondContact N-O 3.25Å; C373-T376 PolarHBondContact O-N 3.09Å; C373-Y378 HydrophobicContact CB-CD2 4.27Å; C373-Y378 HydrophobicContact CB-CE2 4.09Å; C373-T420 HydrophobicContact CB-CG2 3.93Å; C373-L426 HydrophobicContact CB-CD2 3.41Å; C373-L426 VanDerWaalsContact CB-CD2 3.41Å
374G87.3Confident94.3Very high39 Ų3915.5 Ų15.540%0.40211%0.105SC..THydrogen-bonded Turntrans57.631.2-175.500000113.4T376G374-T376 PolarHBondContact O-N 3.15Å
375G88.1Confident93.8Very high44 Ų4417.7 Ų17.745%0.45412%0.123SC..THydrogen-bonded Turntrans75.5-1-175.200000115.4C373C373-G375 PolarHBondContact O-N 3.09Å
376T92.3Very high93.1Very high48 Ų4824.2 Ų24.229%0.29417%0.165SC..EExtended strand (participates in β ladder)trans-101.9141.9177.9-47.80000111.3T372 C373 G374 Y378 R395T372-T376 CarbonylContact C-O 3.51Å; T372-T376 WeakPolarHBondContact CA-O 3.37Å; C373-T376 PolarHBondContact N-O 3.25Å; C373-T376 PolarHBondContact O-N 3.09Å; G374-T376 PolarHBondContact O-N 3.15Å; T376-Y378 HydrophobicContact CG2-CE2 4.22Å; T376-Y378 WeakPolarHBondContact O-CD2 3.22Å; T376-Y378 WeakPolarHBondContact O-CE2 3.34Å; T376-R395 HydrophobicContact CG2-CG 3.39Å
377V96.7Very high92.5Very high4 Ų429.9 Ų29.92%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-90.2129.8-178.9178.20000111T323 A325 Y330 M370 R395 Y396 W403T323-V377 HydrophobicContact CG2-CG1 3.73Å; T323-V377 HydrophobicContact CG2-CG2 4.2Å; A325-V377 HydrophobicContact CB-CG2 3.96Å; Y330-V377 HydrophobicContact CD1-CG2 4.28Å; Y330-V377 HydrophobicContact CD2-CG2 3.59Å; Y330-V377 HydrophobicContact CE2-CG2 3.85Å; Y330-V377 HydrophobicContact CG-CG1 4.39Å; Y330-V377 HydrophobicContact CG-CG2 3.83Å; M370-V377 HydrophobicContact CE-CG1 3.45Å; M370-V377 VanDerWaalsContact CE-CG1 3.45Å; V377-R395 WeakPolarHBondContact O-CA 3.29Å; V377-Y396 PolarHBondContact O-N 2.83Å; V377-W403 HydrophobicContact CG1-CH2 3.94Å; V377-W403 HydrophobicContact CG1-CZ3 4.47Å
378Y97.6Very high92.4Very high8 Ų834.8 Ų34.83%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-117.8147.3176.3-64.3-95.5000110.9M370 V371 C373 T376 I393 Y394 R395 A406 L426 T450M370-Y378 CarbonylContact C-O 3.51Å; M370-Y378 WeakPolarHBondContact CA-O 3.18Å; V371-Y378 PolarHBondContact N-O 3.44Å; V371-Y378 PolarHBondContact O-N 3.29Å; C373-Y378 HydrophobicContact CB-CD2 4.27Å; C373-Y378 HydrophobicContact CB-CE2 4.09Å; T376-Y378 HydrophobicContact CG2-CE2 4.22Å; T376-Y378 WeakPolarHBondContact O-CD2 3.22Å; T376-Y378 WeakPolarHBondContact O-CE2 3.34Å; Y378-I393 HydrophobicContact CD1-CG2 4.12Å; Y378-Y394 CarbonylContact C-O 3.59Å; Y378-Y394 VanDerWaalsContact CA-O 3.22Å; Y378-Y394 WeakPolarHBondContact CA-O 3.16Å; Y378-R395 HydrophobicContact CD1-CB 3.85Å; Y378-R395 HydrophobicContact CD1-CG 4.08Å; Y378-R395 HydrophobicContact CE1-CB 3.68Å; Y378-R395 HydrophobicContact CE1-CG 3.61Å; Y378-R395 HydrophobicContact CE2-CG 4.48Å; Y378-R395 VanDerWaalsContact OH-CD 3.23Å; Y378-R395 WeakPolarHBondContact OH-CD 3.36Å; Y378-A406 HydrophobicContact CD1-CB 4.42Å; Y378-A406 HydrophobicContact CE1-CB 4.21Å; Y378-L426 HydrophobicContact CD1-CD1 4.34Å; Y378-L426 HydrophobicContact CD2-CD1 4.46Å; Y378-L426 HydrophobicContact CG-CD1 4.1Å; Y378-T450 HydrophobicContact CE1-CG2 3.97Å; Y378-T450 HydrophobicContact CE2-CG2 3.96Å; Y378-T450 WeakPolarHBondContact OH-CB 3.2Å; Y378-T450 WeakPolarHBondContact OH-CG2 3.3Å
379S97.4Very high92.3Very high1 Ų135.4 Ų35.41%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-116.7124.7168.6174.70000108.3H368 I393 Y394H368-S379 PolarHBondContact CD2-OG 3.26Å; H368-S379 VanDerWaalsContact CD2-OG 3.23Å; S379-I393 CarbonylContact O-C 3.57Å; S379-I393 VanDerWaalsContact O-CA 3.3Å; S379-I393 WeakPolarHBondContact O-CA 3.33Å; S379-Y394 PolarHBondContact N-O 2.91Å; S379-Y394 PolarHBondContact O-N 2.82Å
380V97.2Very high92.3Very high0 Ų035.5 Ų35.50%021%0.205CC..EExtended strand (participates in β ladder)trans-120.6119.2-169.6179.90000109.8T369 V371 I393 M409 V418 L426 I428T369-V380 PolarHBondContact N-O 3.5Å; T369-V380 WeakPolarHBondContact O-CB 3.3Å; T369-V380 PolarHBondContact O-N 3.07Å; V371-V380 HydrophobicContact CG1-CG2 4.35Å; V380-I393 HydrophobicContact CG1-CG1 4.38Å; V380-I393 HydrophobicContact CG2-CG2 4.24Å; V380-M409 HydrophobicContact CG1-CG 4.29Å; V380-M409 HydrophobicContact CG1-SD 3.58Å; V380-M409 VanDerWaalsContact CG1-SD 3.58Å; V380-V418 HydrophobicContact CB-CG2 4.47Å; V380-V418 HydrophobicContact CG1-CG2 4.33Å; V380-L426 HydrophobicContact CG2-CD1 4.49Å; V380-I428 HydrophobicContact CG1-CD1 3.59Å; V380-I428 HydrophobicContact CG1-CG1 3.95Å; V380-I428 HydrophobicContact CG1-CG2 3.98Å
381G95.4Very high92.3Very high0 Ų036.1 Ų36.10%021%0.21CC..  trans63-141.5171.100000113.6H368 V390 N392H368-G381 VanDerWaalsContact CB-O 3.29Å; H368-G381 WeakPolarHBondContact CB-O 3.4Å; G381-V390 WeakPolarHBondContact CA-O 3.4Å; G381-V390 WeakPolarHBondContact O-CG2 3.49Å; G381-N392 PolarHBondContact N-O 3.15Å
382G94.4Very high92.4Very high0 Ų037 Ų370%021%0.214CC..  trans105.5-173.1-176.800000112.7V366 V390 M413 D414V366-G382 WeakPolarHBondContact O-CA 3.35Å; G382-V390 WeakPolarHBondContact O-CG2 3.5Å; G382-V390 PolarHBondContact O-N 2.98Å; G382-M413 PolarHBondContact N-O 3.44Å; G382-D414 VanDerWaalsContact C-CB 3.43Å
383S93.3Very high92.5Very high3 Ų335.7 Ų35.72%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-128.7152.2174.650.40000111.3V366 R388 D414V366-S383 VanDerWaalsContact CG2-O 3.32Å; V366-S383 WeakPolarHBondContact CG2-O 3.29Å; V366-S383 WeakPolarHBondContact CG2-OG 3.23Å; V366-S383 PolarHBondContact N-O 3.34Å; V366-S383 PolarHBondContact O-N 3.1Å; S383-R388 WeakPolarHBondContact CA-O 3.29Å; S383-D414 WeakPolarHBondContact CB-OD2 3.43Å; S383-D414 PolarHBondContact OG-OD2 2.85Å
384I92.6Very high92.7Very high29 Ų2936.3 Ų36.315%0.14921%0.208CC..EExtended strand (participates in β ladder)trans-113.5152.7174.172.1169.6000109.4I363 G364 L365 R387 R388 V390I363-I384 HydrophobicContact CD1-CG2 4.42Å; G364-I384 VanDerWaalsContact O-CG2 3.25Å; G364-I384 WeakPolarHBondContact O-CG2 3.31Å; L365-I384 HydrophobicContact CD2-CG2 4.13Å; I384-R387 CarbonylContact O-C 3.53Å; I384-R387 VanDerWaalsContact O-CA 3.23Å; I384-R387 WeakPolarHBondContact O-CA 3.26Å; I384-R387 PolarHBondContact O-N 3.24Å; I384-R388 HydrophobicContact CD1-CB 4.21Å; I384-R388 VanDerWaalsContact CD1-CZ 3.45Å; I384-R388 VanDerWaalsContact CD1-NE 3.26Å; I384-R388 HydrophobicContact CG1-CB 3.69Å; I384-R388 HydrophobicContact CG1-CG 4.48Å; I384-R388 WeakPolarHBondContact CG1-O 3.39Å; I384-R388 PolarHBondContact N-O 2.86Å; I384-R388 PolarHBondContact O-N 2.89Å; I384-V390 HydrophobicContact CG2-CG1 3.97Å
385A84.4Confident93.1Very high57 Ų5738.4 Ų38.447%0.47120%0.204SC..THydrogen-bonded Turntrans-61.7142.617400000111.6S340S340-A385 WeakPolarHBondContact O-CB 3.36Å
386P80.3Confident93.5Very high137 Ų13736.6 Ų36.689%0.8918%0.183SC*.THydrogen-bonded Turncis-80.7-20.42.230.9-33.7000115
387R81.4Confident93.4Very high125 Ų12535.7 Ų35.747%0.47218%0.177SC..THydrogen-bonded Turntrans-179.844.4164.9-139.6170.3-172.7-175.70.4112.8I384I384-R387 CarbonylContact O-C 3.53Å; I384-R387 VanDerWaalsContact O-CA 3.23Å; I384-R387 WeakPolarHBondContact O-CA 3.26Å; I384-R387 PolarHBondContact O-N 3.24Å
388R90.8Very high92.9Very high165 Ų16540.9 Ų40.962%0.62320%0.201SC*.EExtended strand (participates in β ladder)trans-88.4117.5-178.4-177-178.979.7-179.22.5109.9S383 I384S383-R388 WeakPolarHBondContact CA-O 3.29Å; I384-R388 HydrophobicContact CD1-CB 4.21Å; I384-R388 VanDerWaalsContact CD1-CZ 3.45Å; I384-R388 VanDerWaalsContact CD1-NE 3.26Å; I384-R388 HydrophobicContact CG1-CB 3.69Å; I384-R388 HydrophobicContact CG1-CG 4.48Å; I384-R388 WeakPolarHBondContact CG1-O 3.39Å; I384-R388 PolarHBondContact N-O 2.86Å; I384-R388 PolarHBondContact O-N 2.89Å
389Y93.8Very high92.2Very high21 Ų2147.1 Ų47.18%0.08222%0.224CC..EExtended strand (participates in β ladder)trans-68.4143.9174.1-54.7-80.7000110.9D414 R432 L434Y389-D414 HydrophobicContact CD1-CB 3.95Å; Y389-D414 HydrophobicContact CE1-CB 4.18Å; Y389-R432 VanDerWaalsContact CD1-O 3.26Å; Y389-R432 WeakPolarHBondContact CD1-O 3.41Å; Y389-R432 HydrophobicContact CE1-CB 4.34Å; Y389-R432 VanDerWaalsContact CE1-O 3.24Å; Y389-R432 WeakPolarHBondContact CE1-O 3.17Å; Y389-L434 HydrophobicContact CD2-CD1 4.35Å; Y389-L434 HydrophobicContact CD2-CG 4.45Å; Y389-L434 HydrophobicContact CE2-CB 4.45Å; Y389-L434 HydrophobicContact CE2-CD1 3.95Å; Y389-L434 HydrophobicContact CE2-CG 3.79Å
390V95Very high91.6Very high8 Ų853.9 Ų53.95%0.04825%0.254CS..  trans-120.7148.5178.1-62.50000110.8I363 L365 G381 G382 I384 M409 M413I363-V390 HydrophobicContact CD1-CB 4.34Å; I363-V390 HydrophobicContact CD1-CG1 4.06Å; I363-V390 HydrophobicContact CD1-CG2 4.1Å; L365-V390 HydrophobicContact CD2-CG2 3.69Å; G381-V390 WeakPolarHBondContact CA-O 3.4Å; G381-V390 WeakPolarHBondContact O-CG2 3.49Å; G382-V390 WeakPolarHBondContact O-CG2 3.5Å; G382-V390 PolarHBondContact O-N 2.98Å; I384-V390 HydrophobicContact CG2-CG1 3.97Å; V390-M409 VanDerWaalsContact O-CE 3.31Å; V390-M409 WeakPolarHBondContact O-CE 3.24Å; V390-M413 PolarHBondContact O-N 2.78Å
391S95.9Very high91.3Very high22 Ų2260 Ų6015%0.15428%0.282CS..  trans-99.8-5.6174.4570000113K408 M409S391-K408 CarbonylContact O-C 3.22Å; S391-K408 VanDerWaalsContact O-CA 3.25Å; S391-K408 WeakPolarHBondContact O-CA 3.36Å; S391-M409 WeakPolarHBondContact CB-O 3.37Å; S391-M409 PolarHBondContact O-N 2.68Å
392N97.1Very high91.3Very high34 Ų3461.5 Ų61.518%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-60.9138.7-174.1-63.485.3000112.3G381 Y394 L405G381-N392 PolarHBondContact N-O 3.15Å; N392-Y394 HydrophobicContact CB-CD2 4.19Å; N392-Y394 HydrophobicContact CB-CE2 3.49Å; N392-Y394 VanDerWaalsContact CB-CE2 3.49Å; N392-L405 HydrophobicContact CB-CD1 4.07Å; N392-L405 WeakPolarHBondContact ND2-CD1 3.08Å
393I97.7Very high91.4Very high0 Ų062.3 Ų62.30%030%0.298CS..EExtended strand (participates in β ladder)trans-113.4117.7168.4-58.4170.6000106.8Y378 S379 V380 A406 G407 M409 I428 F448Y378-I393 HydrophobicContact CD1-CG2 4.12Å; S379-I393 CarbonylContact O-C 3.57Å; S379-I393 VanDerWaalsContact O-CA 3.3Å; S379-I393 WeakPolarHBondContact O-CA 3.33Å; V380-I393 HydrophobicContact CG1-CG1 4.38Å; V380-I393 HydrophobicContact CG2-CG2 4.24Å; I393-A406 HydrophobicContact CG2-CB 4.31Å; I393-A406 PolarHBondContact O-N 3.4Å; I393-G407 PolarHBondContact N-O 2.76Å; I393-G407 PolarHBondContact O-N 2.89Å; I393-M409 HydrophobicContact CD1-CG 4.07Å; I393-M409 HydrophobicContact CG1-CG 4.14Å; I393-I428 HydrophobicContact CD1-CD1 3.77Å; I393-F448 HydrophobicContact CD1-CB 4.43Å; I393-F448 HydrophobicContact CD1-CD1 4.22Å; I393-F448 HydrophobicContact CD1-CD2 3.55Å; I393-F448 HydrophobicContact CD1-CE1 4.36Å; I393-F448 HydrophobicContact CD1-CE2 3.73Å; I393-F448 HydrophobicContact CD1-CG 3.8Å; I393-F448 HydrophobicContact CD1-CZ 4.13Å; I393-F448 HydrophobicContact CG2-CE1 4.27Å; I393-F448 HydrophobicContact CG2-CZ 4.35Å
394Y97.7Very high91.6Very high18 Ų1863.6 Ų63.67%0.07131%0.307CS..EExtended strand (participates in β ladder)trans-104145.7175.8-63.9-78.3000110.4P362 I363 Y378 S379 N392 C404 L405P362-Y394 HydrophobicContact CB-CE1 4.02Å; P362-Y394 HydrophobicContact CG-CD1 3.91Å; P362-Y394 HydrophobicContact CG-CE1 3.59Å; I363-Y394 HydrophobicContact CD1-CE2 3.81Å; I363-Y394 HydrophobicContact CG1-CE2 3.74Å; Y378-Y394 CarbonylContact C-O 3.59Å; Y378-Y394 VanDerWaalsContact CA-O 3.22Å; Y378-Y394 WeakPolarHBondContact CA-O 3.16Å; S379-Y394 PolarHBondContact N-O 2.91Å; S379-Y394 PolarHBondContact O-N 2.82Å; N392-Y394 HydrophobicContact CB-CD2 4.19Å; N392-Y394 HydrophobicContact CB-CE2 3.49Å; N392-Y394 VanDerWaalsContact CB-CE2 3.49Å; Y394-C404 CarbonylContact C-O 3.55Å; Y394-C404 VanDerWaalsContact CA-O 3.31Å; Y394-C404 WeakPolarHBondContact CA-O 3.5Å; Y394-L405 HydrophobicContact CD1-CB 4.44Å; Y394-L405 HydrophobicContact CD1-CD1 4.35Å; Y394-L405 HydrophobicContact CE1-CB 4.29Å; Y394-L405 HydrophobicContact CE1-CD1 4Å
395R96.9Very high91.8Very high82 Ų8266.8 Ų66.831%0.30932%0.323SS..EExtended strand (participates in β ladder)trans-120.2135.2174.5-177.4178.673.7-157.2-1.6109.2T376 V377 Y378 D397 C404 A406T376-R395 HydrophobicContact CG2-CG 3.39Å; V377-R395 WeakPolarHBondContact O-CA 3.29Å; Y378-R395 HydrophobicContact CD1-CB 3.85Å; Y378-R395 HydrophobicContact CD1-CG 4.08Å; Y378-R395 HydrophobicContact CE1-CB 3.68Å; Y378-R395 HydrophobicContact CE1-CG 3.61Å; Y378-R395 HydrophobicContact CE2-CG 4.48Å; Y378-R395 VanDerWaalsContact OH-CD 3.23Å; Y378-R395 WeakPolarHBondContact OH-CD 3.36Å; R395-D397 PolarHBondContact O-N 2.8Å; R395-C404 PolarHBondContact N-O 3.22Å; R395-C404 PolarHBondContact O-N 2.85Å; R395-A406 HydrophobicContact CB-CB 3.85Å
396Y96.1Very high92.4Very high6 Ų665 Ų652%0.02431%0.308CS..EExtended strand (participates in β ladder)trans-78.1118.5171.4-175-121.6000109.7Y330 L358 P359 V377 E398 W403Y330-Y396 HydrophobicContact CE1-CD1 4.19Å; Y330-Y396 HydrophobicContact CE1-CE1 4.24Å; L358-Y396 HydrophobicContact CD2-CE1 4.44Å; P359-Y396 HydrophobicContact CG-CE2 4.25Å; V377-Y396 PolarHBondContact O-N 2.83Å; Y396-E398 HydrophobicContact CD1-CG 3.91Å; Y396-E398 HydrophobicContact CE1-CB 4.47Å; Y396-E398 HydrophobicContact CE1-CG 3.71Å; Y396-W403 HydrophobicContact CD2-CD2 4.23Å; Y396-W403 AromaticContact CD2-CE2 4Å; Y396-W403 HydrophobicContact CD2-CG 4.43Å; Y396-W403 HydrophobicContact CD2-CZ2 4.41Å; Y396-W403 HydrophobicContact CG-CZ2 4.47Å
397D90.8Very high93.1Very high29 Ų2959 Ų5916%0.15527%0.272CS..EExtended strand (participates in β ladder)trans-98.3102.1174.3-172.6-27.2000108.6R395 R399 K400 E401 A402R395-D397 PolarHBondContact O-N 2.8Å; D397-R399 PolarHBondContact O-N 3.49Å; D397-R399 WeakPolarHBondContact OD1-CB 3.47Å; D397-R399 PolarHBondContact OD1-N 3.22Å; D397-K400 HydrophobicContact CB-CB 4.18Å; D397-K400 HydrophobicContact CB-CD 4.48Å; D397-K400 HydrophobicContact CB-CG 4.47Å; D397-K400 PolarHBondContact O-N 2.67Å; D397-K400 PolarHBondContact OD1-N 3.16Å; D397-K400 WeakPolarHBondContact OD2-CD 3.39Å; D397-K400 WeakPolarHBondContact OD2-CE 3.42Å; D397-K400 IonicContact OD2-NZ 3.03Å; D397-E401 WeakPolarHBondContact O-CA 3.37Å; D397-E401 PolarHBondContact O-N 3.09Å; D397-A402 PolarHBondContact N-O 3.04Å; D397-A402 PolarHBondContact O-N 3.15Å
398E85.3Confident93.9Very high114 Ų11458.8 Ų58.853%0.53327%0.274SS..THydrogen-bonded Turntrans-60-29.3-179.3-65.8-175.9167.900112.6Y396Y396-E398 HydrophobicContact CD1-CG 3.91Å; Y396-E398 HydrophobicContact CE1-CB 4.47Å; Y396-E398 HydrophobicContact CE1-CG 3.71Å
399R81.9Confident94.1Very high138 Ų13851.3 Ų51.352%0.52125%0.246SC..THydrogen-bonded Turntrans-76.8-34.5-178.4-66.3178.6168.8-179.2-3.8112.4K126 R129 D397 E401K126-R399 PolarHBondContact O-NE 2.87Å; R129-R399 VanDerWaalsContact CZ-NH2 3.3Å; D397-R399 PolarHBondContact O-N 3.49Å; D397-R399 WeakPolarHBondContact OD1-CB 3.47Å; D397-R399 PolarHBondContact OD1-N 3.22Å; R399-E401 VanDerWaalsContact C-N 3.34Å
400K86Confident94.1Very high143 Ų14353.2 Ų53.262%0.62226%0.263SS*.THydrogen-bonded Turntrans-88-10.8176.8-65.4-178-174.5173.30112.5D397 A402D397-K400 HydrophobicContact CB-CB 4.18Å; D397-K400 HydrophobicContact CB-CD 4.48Å; D397-K400 HydrophobicContact CB-CG 4.47Å; D397-K400 PolarHBondContact O-N 2.67Å; D397-K400 PolarHBondContact OD1-N 3.16Å; D397-K400 WeakPolarHBondContact OD2-CD 3.39Å; D397-K400 WeakPolarHBondContact OD2-CE 3.42Å; D397-K400 IonicContact OD2-NZ 3.03Å; K400-A402 HydrophobicContact CB-CB 4.15Å; K400-A402 PolarHBondContact O-N 2.96Å
401E90.6Very high93.9Very high128 Ų12855.4 Ų55.460%0.59827%0.274SS*.THydrogen-bonded Turntrans45.555.9-167.4-60.1-173.1150.800109.7P359 D397 R399P359-E401 WeakPolarHBondContact CB-O 3.44Å; P359-E401 VanDerWaalsContact CG-C 3.46Å; P359-E401 HydrophobicContact CG-CB 4.21Å; P359-E401 WeakPolarHBondContact CG-O 3.34Å; D397-E401 WeakPolarHBondContact O-CA 3.37Å; D397-E401 PolarHBondContact O-N 3.09Å; R399-E401 VanDerWaalsContact C-N 3.34Å
402A95.5Very high93.8Very high32 Ų3257 Ų5726%0.26428%0.284SS..EExtended strand (participates in β ladder)trans-155.6149.7-176.500000112.8D397 K400D397-A402 PolarHBondContact N-O 3.04Å; D397-A402 PolarHBondContact O-N 3.15Å; K400-A402 HydrophobicContact CB-CB 4.15Å; K400-A402 PolarHBondContact O-N 2.96Å
403W97.3Very high93.7Very high17 Ų1755.4 Ų55.46%0.06428%0.275CS..EExtended strand (participates in β ladder)trans-81.9116.7168.3-70.294.5000110.4A345 P359 L361 P362 M370 V377 Y396A345-W403 HydrophobicContact CB-CZ2 4.05Å; P359-W403 PolarHBondContact O-NE1 3.35Å; L361-W403 HydrophobicContact CD2-CD2 3.81Å; L361-W403 HydrophobicContact CD2-CE3 4Å; L361-W403 HydrophobicContact CD2-CG 4.12Å; L361-W403 HydrophobicContact CD2-CZ3 4.44Å; L361-W403 HydrophobicContact CG-CD2 4.48Å; P362-W403 HydrophobicContact CG-CB 4.29Å; M370-W403 HydrophobicContact CE-CH2 3.95Å; V377-W403 HydrophobicContact CG1-CH2 3.94Å; V377-W403 HydrophobicContact CG1-CZ3 4.47Å; Y396-W403 HydrophobicContact CD2-CD2 4.23Å; Y396-W403 AromaticContact CD2-CE2 4Å; Y396-W403 HydrophobicContact CD2-CG 4.43Å; Y396-W403 HydrophobicContact CD2-CZ2 4.41Å; Y396-W403 HydrophobicContact CG-CZ2 4.47Å
404C96.5Very high93.4Very high31 Ų3155.4 Ų55.421%0.20928%0.275CS..EExtended strand (participates in β ladder)trans-103.8145178.7-64.20000110.6Y394 R395 A406Y394-C404 CarbonylContact C-O 3.55Å; Y394-C404 VanDerWaalsContact CA-O 3.31Å; Y394-C404 WeakPolarHBondContact CA-O 3.5Å; R395-C404 PolarHBondContact N-O 3.22Å; R395-C404 PolarHBondContact O-N 2.85Å; C404-A406 PolarHBondContact O-N 3.05Å
405L97.1Very high92.9Very high95 Ų9555.1 Ų55.150%0.49728%0.278SS..EExtended strand (participates in β ladder)trans-66.9118.9170-176.868.2000108.8N392 Y394 G407N392-L405 HydrophobicContact CB-CD1 4.07Å; N392-L405 WeakPolarHBondContact ND2-CD1 3.08Å; Y394-L405 HydrophobicContact CD1-CB 4.44Å; Y394-L405 HydrophobicContact CD1-CD1 4.35Å; Y394-L405 HydrophobicContact CE1-CB 4.29Å; Y394-L405 HydrophobicContact CE1-CD1 4Å; L405-G407 WeakPolarHBondContact CD1-O 3.43Å
406A96.5Very high92.6Very high19 Ų1951.2 Ų51.216%0.15726%0.263CS..EExtended strand (participates in β ladder)trans-96.3-27.1178.900000112.5Y378 I393 R395 C404 F448 G453Y378-A406 HydrophobicContact CD1-CB 4.42Å; Y378-A406 HydrophobicContact CE1-CB 4.21Å; I393-A406 HydrophobicContact CG2-CB 4.31Å; I393-A406 PolarHBondContact O-N 3.4Å; R395-A406 HydrophobicContact CB-CB 3.85Å; C404-A406 PolarHBondContact O-N 3.05Å; A406-F448 HydrophobicContact CB-CZ 4.33Å; A406-G453 WeakPolarHBondContact O-CA 3.37Å
407G96.3Very high92.3Very high12 Ų1251.1 Ų51.112%0.12426%0.264CS..EExtended strand (participates in β ladder)trans168.3-163.5179.100000112I393 L405 G453I393-G407 PolarHBondContact N-O 2.76Å; I393-G407 PolarHBondContact O-N 2.89Å; L405-G407 WeakPolarHBondContact CD1-O 3.43Å; G407-G453 WeakPolarHBondContact CA-O 3.31Å
408K96.8Very high92.3Very high120 Ų12051 Ų5152%0.52226%0.264SS..EExtended strand (participates in β ladder)trans-140.5143.8178.3-64.6-179.7-177.7174.50111S391 V455S391-K408 CarbonylContact O-C 3.22Å; S391-K408 VanDerWaalsContact O-CA 3.25Å; S391-K408 WeakPolarHBondContact O-CA 3.36Å; K408-V455 WeakPolarHBondContact O-CG2 3.38Å
409M95.4Very high92.5Very high8 Ų847.1 Ų47.14%0.03925%0.247CC..  trans-67.1157.6166.5-58.4-174.4-62.700110.9V380 V390 S391 I393 I411 M413 T416 I428V380-M409 HydrophobicContact CG1-CG 4.29Å; V380-M409 HydrophobicContact CG1-SD 3.58Å; V380-M409 VanDerWaalsContact CG1-SD 3.58Å; V390-M409 VanDerWaalsContact O-CE 3.31Å; V390-M409 WeakPolarHBondContact O-CE 3.24Å; S391-M409 WeakPolarHBondContact CB-O 3.37Å; S391-M409 PolarHBondContact O-N 2.68Å; I393-M409 HydrophobicContact CD1-CG 4.07Å; I393-M409 HydrophobicContact CG1-CG 4.14Å; M409-I411 VanDerWaalsContact C-N 3.3Å; M409-I411 PolarHBondContact O-N 2.85Å; M409-M413 HydrophobicContact CE-CB 4.3Å; M409-M413 HydrophobicContact SD-CE 4.33Å; M409-T416 HydrophobicContact SD-CG2 4.34Å; M409-I428 HydrophobicContact CG-CD1 3.85Å; M409-I428 HydrophobicContact SD-CD1 4.18Å; M409-I428 HydrophobicContact SD-CG2 3.71Å
410S93.5Very high92.9Very high62 Ų6243 Ų4343%0.43424%0.236SC..SBendtrans-64.7-36.8175.1-53.70000111.6D446S410-D446 VanDerWaalsContact CB-OD1 3.28Å; S410-D446 WeakPolarHBondContact CB-OD1 3.41Å; S410-D446 WeakPolarHBondContact CB-OD2 3.27Å; S410-D446 PolarHBondContact N-OD2 2.98Å; S410-D446 VanDerWaalsContact OG-CG 3.26Å; S410-D446 PolarHBondContact OG-OD1 3.18Å; S410-D446 PolarHBondContact OG-OD2 2.86Å
411I91.7Very high92.9Very high53 Ų5339 Ų3927%0.27222%0.219SC..SBendtrans-125.9130.5-179.4-54.6-175000109.9M409 M413 C433 V442 V444M409-I411 VanDerWaalsContact C-N 3.3Å; M409-I411 PolarHBondContact O-N 2.85Å; I411-M413 HydrophobicContact CB-CE 4.17Å; I411-M413 HydrophobicContact CB-CG 4.2Å; I411-M413 HydrophobicContact CB-SD 4.28Å; I411-M413 HydrophobicContact CG2-CG 3.88Å; I411-M413 HydrophobicContact CG2-SD 4.35Å; I411-M413 WeakPolarHBondContact O-CE 3.48Å; I411-M413 PolarHBondContact O-N 2.91Å; I411-C433 HydrophobicContact CG2-CB 4.45Å; I411-V442 HydrophobicContact CD1-CG2 4.48Å; I411-V444 HydrophobicContact CD1-CG2 3.63Å
412P94Very high92.5Very high56 Ų5635.7 Ų35.736%0.36422%0.219SC..  trans-63.7120.2170.3-20.332.5000111.3C433P412-C433 WeakPolarHBondContact O-CB 3.41Å
413M93.3Very high92Very high0 Ų040 Ų400%024%0.238CC..  trans-147.4152.3-172.9-66.3179.3-70.900112G382 V390 M409 I411 T416 R432 C433 V442G382-M413 PolarHBondContact N-O 3.44Å; V390-M413 PolarHBondContact O-N 2.78Å; M409-M413 HydrophobicContact CE-CB 4.3Å; M409-M413 HydrophobicContact SD-CE 4.33Å; I411-M413 HydrophobicContact CB-CE 4.17Å; I411-M413 HydrophobicContact CB-CG 4.2Å; I411-M413 HydrophobicContact CB-SD 4.28Å; I411-M413 HydrophobicContact CG2-CG 3.88Å; I411-M413 HydrophobicContact CG2-SD 4.35Å; I411-M413 WeakPolarHBondContact O-CE 3.48Å; I411-M413 PolarHBondContact O-N 2.91Å; M413-T416 HydrophobicContact CB-CG2 3.87Å; M413-R432 WeakPolarHBondContact CA-O 3.45Å; M413-C433 HydrophobicContact CG-CB 4.22Å; M413-V442 HydrophobicContact CG-CG2 4.2Å; M413-V442 HydrophobicContact SD-CG2 3.4Å; M413-V442 WeakPolarHBondContact SD-CG2 3.36Å
414D92Very high91.6Very high0 Ų046.8 Ų46.80%026%0.263CS..BIsolated β-bridgetrans-118.5170.5164.282.54.6000111.5F367 G382 S383 Y389 T416 G431 R432F367-D414 HydrophobicContact CB-CB 3.97Å; G382-D414 VanDerWaalsContact C-CB 3.43Å; S383-D414 WeakPolarHBondContact CB-OD2 3.43Å; S383-D414 PolarHBondContact OG-OD2 2.85Å; Y389-D414 HydrophobicContact CD1-CB 3.95Å; Y389-D414 HydrophobicContact CE1-CB 4.18Å; D414-T416 PolarHBondContact O-N 3.42Å; D414-G431 CarbonylContact O-C 3.42Å; D414-G431 VanDerWaalsContact O-CA 3.29Å; D414-G431 WeakPolarHBondContact O-CA 3.5Å; D414-R432 PolarHBondContact N-O 3.48Å; D414-R432 VanDerWaalsContact N-O 3.1Å; D414-R432 PolarHBondContact O-N 2.93Å; D414-R432 WeakPolarHBondContact OD1-CB 3.38Å; D414-R432 IonicContact OD1-CZ 3.96Å; D414-R432 VanDerWaalsContact OD1-CZ 3.25Å; D414-R432 IonicContact OD1-NE 2.73Å; D414-R432 PolarHBondContact OD1-NE 2.94Å; D414-R432 IonicContact OD1-NH2 2.98Å; D414-R432 PolarHBondContact OD1-NH2 2.88Å; D414-R432 IonicContact OD2-CZ 3.34Å; D414-R432 IonicContact OD2-NE 2.69Å; D414-R432 IonicContact OD2-NH2 3.56Å; D414-R432 PolarHBondContact OD2-NH2 2.82Å
415G87.7Confident91.4Very high12 Ų1247.4 Ų47.412%0.12426%0.264CS..SBendtrans60.433.4179.400000112.9F367 R441F367-G415 PolarHBondContact O-N 2.69Å; G415-R441 PolarHBondContact O-NH1 2.8Å
416T90.6Very high91.3Very high0 Ų042.9 Ų42.90%024%0.241CC..  trans-70150.7179.254.10000111T369 M409 M413 D414 I428 T430 R468T369-T416 PolarHBondContact OG1-O 2.88Å; T369-T416 PolarHBondContact OG1-OG1 3.1Å; M409-T416 HydrophobicContact SD-CG2 4.34Å; M413-T416 HydrophobicContact CB-CG2 3.87Å; D414-T416 PolarHBondContact O-N 3.42Å; T416-I428 HydrophobicContact CG2-CG2 4.11Å; T416-T430 VanDerWaalsContact CA-O 3.22Å; T416-T430 WeakPolarHBondContact CA-O 3.49Å; T416-T430 WeakPolarHBondContact CB-O 3.49Å; T416-T430 WeakPolarHBondContact CG2-O 3.35Å; T416-R468 VanDerWaalsContact O-CZ 3.32Å; T416-R468 PolarHBondContact O-NE 3.43Å; T416-R468 PolarHBondContact O-NH2 3.46Å
417A88.9Confident91.1Very high5 Ų542.7 Ų42.74%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-101.5137.3164.900000108.3V429 R468 P469 L471A417-V429 PolarHBondContact N-O 2.9Å; A417-V429 PolarHBondContact O-N 3.44Å; A417-R468 HydrophobicContact CB-CG 4.25Å; A417-P469 HydrophobicContact CB-CG 4.02Å; A417-L471 HydrophobicContact CB-CD1 3.58Å; A417-L471 HydrophobicContact CB-CD2 4.24Å; A417-L471 HydrophobicContact CB-CG 3.79Å
418V91.4Very high91Very high26 Ų2642.1 Ų42.116%0.15823%0.23CC..EExtended strand (participates in β ladder)trans-131.8134.3-178.4-173.30000109.4T369 V371 V380 L426 Y427 I428T369-V418 HydrophobicContact CG2-CB 3.9Å; T369-V418 HydrophobicContact CG2-CG2 3.62Å; V371-V418 HydrophobicContact CB-CG1 4.21Å; V371-V418 HydrophobicContact CG1-CG1 3.96Å; V371-V418 HydrophobicContact CG2-CG1 4.22Å; V380-V418 HydrophobicContact CB-CG2 4.47Å; V380-V418 HydrophobicContact CG1-CG2 4.33Å; V418-L426 HydrophobicContact CG1-CB 4.36Å; V418-Y427 WeakPolarHBondContact CA-O 3.46Å; V418-I428 HydrophobicContact CG1-CG1 4.33Å; V418-I428 HydrophobicContact CG2-CB 4.45Å; V418-I428 HydrophobicContact CG2-CG1 4.2Å; V418-I428 HydrophobicContact CG2-CG2 4.19Å
419I89.6Confident90.7Very high33 Ų3336.4 Ų36.417%0.16921%0.205CC..EExtended strand (participates in β ladder)trans-131.6143.8173.1-168.8169.7000109.4Y427 L471 F473 L479I419-Y427 PolarHBondContact N-O 2.79Å; I419-Y427 PolarHBondContact O-N 2.98Å; I419-L471 HydrophobicContact CB-CB 4.09Å; I419-L471 HydrophobicContact CB-CD1 4.01Å; I419-L471 HydrophobicContact CD1-CB 4.22Å; I419-L471 HydrophobicContact CG2-CB 4.1Å; I419-L471 HydrophobicContact CG2-CD1 3.86Å; I419-F473 HydrophobicContact CB-CE2 4.44Å; I419-F473 HydrophobicContact CD1-CD2 3.61Å; I419-F473 HydrophobicContact CD1-CE2 3.78Å; I419-F473 HydrophobicContact CG1-CD2 4.16Å; I419-F473 HydrophobicContact CG1-CE2 3.87Å; I419-F473 HydrophobicContact CG2-CE2 3.75Å; I419-F473 HydrophobicContact CG2-CZ 4.12Å; I419-L479 HydrophobicContact CG2-CD1 3.87Å
420T90.5Very high90.3Very high50 Ų5036 Ų3631%0.30720%0.203SC..EExtended strand (participates in β ladder)trans-100.1145.1179.357.70000111V371 C373 N425 L426V371-T420 HydrophobicContact CG2-CG2 3.46Å; V371-T420 VanDerWaalsContact CG2-CG2 3.46Å; C373-T420 HydrophobicContact CB-CG2 3.93Å; T420-N425 WeakPolarHBondContact CA-O 3.28Å; T420-L426 HydrophobicContact CG2-CD2 3.68Å
421K84.7Confident90Very high61 Ų6133 Ų3327%0.26518%0.183SC..EExtended strand (participates in β ladder)trans-121.4115.7166-164.5-175.6174.4-167.50109.5N425 Y427 F473 D476K421-N425 PolarHBondContact N-O 3.41Å; K421-N425 VanDerWaalsContact N-O 3.07Å; K421-Y427 HydrophobicContact CB-CD2 4.21Å; K421-Y427 HydrophobicContact CB-CE2 3.52Å; K421-Y427 HydrophobicContact CD-CE2 4.45Å; K421-F473 HydrophobicContact CB-CE2 4.16Å; K421-F473 HydrophobicContact CB-CZ 4.2Å; K421-F473 HydrophobicContact CD-CZ 4.49Å; K421-D476 WeakPolarHBondContact CE-O 3.29Å; K421-D476 PolarHBondContact NZ-O 2.88Å; K421-D476 IonicContact NZ-OD1 3.95Å
422G83.4Confident89.9Confident57 Ų5732.4 Ų32.459%0.58818%0.177SC*.THydrogen-bonded Turntrans58.6-154.7-170.900000112.3
423D85.3Confident89.6Confident124 Ų12430.2 Ų30.266%0.66316%0.163SC*.THydrogen-bonded Turntrans-96.310.7-173.5-65.8-33.3000114.1
424R88.5Confident89.3Confident159 Ų15935 Ų3560%0.619%0.188SC*.THydrogen-bonded Turntrans-128-34.7-169.6-64.4-176.8-178.2-176.22.2115.6T450R424-T450 WeakPolarHBondContact CA-OG1 3.5Å; R424-T450 WeakPolarHBondContact O-CB 3.26Å; R424-T450 VanDerWaalsContact O-CG2 3.32Å; R424-T450 WeakPolarHBondContact O-CG2 3.44Å; R424-T450 PolarHBondContact O-N 3.14Å; R424-T450 PolarHBondContact O-OG1 3.07Å
425N92.4Very high88.9Confident43 Ų4337.8 Ų37.823%0.2321%0.205CC..EExtended strand (participates in β ladder)trans-112.1129.9-167.2-63.6-16.5000112T420 K421 Y427 F448T420-N425 WeakPolarHBondContact CA-O 3.28Å; K421-N425 PolarHBondContact N-O 3.41Å; K421-N425 VanDerWaalsContact N-O 3.07Å; N425-Y427 HydrophobicContact CB-CE2 3.84Å; N425-F448 WeakPolarHBondContact CA-O 3.44Å
426L94.8Very high88.7Confident0 Ų046.8 Ų46.80%024%0.24CC..EExtended strand (participates in β ladder)trans-101.9127.3168.1-49.8-179.7000109.1V371 C373 Y378 V380 V418 T420 I428 C447 F448 T450V371-L426 HydrophobicContact CG1-CD1 4.12Å; V371-L426 HydrophobicContact CG1-CD2 3.85Å; C373-L426 HydrophobicContact CB-CD2 3.41Å; C373-L426 VanDerWaalsContact CB-CD2 3.41Å; Y378-L426 HydrophobicContact CD1-CD1 4.34Å; Y378-L426 HydrophobicContact CD2-CD1 4.46Å; Y378-L426 HydrophobicContact CG-CD1 4.1Å; V380-L426 HydrophobicContact CG2-CD1 4.49Å; V418-L426 HydrophobicContact CG1-CB 4.36Å; T420-L426 HydrophobicContact CG2-CD2 3.68Å; L426-I428 HydrophobicContact CB-CG1 4.5Å; L426-C447 WeakPolarHBondContact O-CA 3.25Å; L426-F448 HydrophobicContact CB-CB 4.24Å; L426-F448 HydrophobicContact CB-CD1 4.46Å; L426-F448 HydrophobicContact CD1-CD1 3.81Å; L426-F448 HydrophobicContact CD1-CE1 4.39Å; L426-F448 HydrophobicContact CG-CD1 4.17Å; L426-F448 PolarHBondContact N-O 2.72Å; L426-F448 PolarHBondContact O-N 3.06Å; L426-T450 HydrophobicContact CD1-CG2 4.31Å; L426-T450 HydrophobicContact CG-CG2 4.05Å
427Y93.3Very high88.2Confident15 Ų1549.8 Ų49.86%0.05927%0.272CS..EExtended strand (participates in β ladder)trans-103105.6170.8-65.2-93.2000108.4V418 I419 K421 N425 V445 D446 C447 F473 L492V418-Y427 WeakPolarHBondContact CA-O 3.46Å; I419-Y427 PolarHBondContact N-O 2.79Å; I419-Y427 PolarHBondContact O-N 2.98Å; K421-Y427 HydrophobicContact CB-CD2 4.21Å; K421-Y427 HydrophobicContact CB-CE2 3.52Å; K421-Y427 HydrophobicContact CD-CE2 4.45Å; N425-Y427 HydrophobicContact CB-CE2 3.84Å; Y427-V445 HydrophobicContact CD1-CG1 4.18Å; Y427-D446 WeakPolarHBondContact CA-O 3.41Å; Y427-C447 HydrophobicContact CD1-CB 4.2Å; Y427-C447 HydrophobicContact CE1-CB 3.97Å; Y427-C447 VanDerWaalsContact CE1-SG 3.58Å; Y427-F473 HydrophobicContact CD2-CE2 4.41Å; Y427-F473 AromaticContact CD2-CZ 3.75Å; Y427-F473 HydrophobicContact CD2-CZ 3.75Å; Y427-F473 AromaticContact CE2-CZ 3.94Å; Y427-F473 HydrophobicContact CE2-CZ 3.94Å; Y427-F473 HydrophobicContact CG-CZ 4.15Å; Y427-L492 HydrophobicContact CD1-CD1 4.12Å; Y427-L492 HydrophobicContact CD1-CD2 4.14Å; Y427-L492 HydrophobicContact CE1-CD1 3.44Å; Y427-L492 VanDerWaalsContact CE1-CD1 3.44Å; Y427-L492 HydrophobicContact CE1-CD2 3.88Å; Y427-L492 HydrophobicContact CE1-CG 4.28Å
428I93.6Very high87.9Confident0 Ų058.3 Ų58.30%030%0.304CS..EExtended strand (participates in β ladder)trans-96.5111.9-178.8-53164.3000107.1V380 I393 M409 T416 V418 L426 V445 D446 F448V380-I428 HydrophobicContact CG1-CD1 3.59Å; V380-I428 HydrophobicContact CG1-CG1 3.95Å; V380-I428 HydrophobicContact CG1-CG2 3.98Å; I393-I428 HydrophobicContact CD1-CD1 3.77Å; M409-I428 HydrophobicContact CG-CD1 3.85Å; M409-I428 HydrophobicContact SD-CD1 4.18Å; M409-I428 HydrophobicContact SD-CG2 3.71Å; T416-I428 HydrophobicContact CG2-CG2 4.11Å; V418-I428 HydrophobicContact CG1-CG1 4.33Å; V418-I428 HydrophobicContact CG2-CB 4.45Å; V418-I428 HydrophobicContact CG2-CG1 4.2Å; V418-I428 HydrophobicContact CG2-CG2 4.19Å; L426-I428 HydrophobicContact CB-CG1 4.5Å; I428-V445 CarbonylContact O-C 3.47Å; I428-V445 WeakPolarHBondContact O-CA 3.14Å; I428-D446 HydrophobicContact CB-CB 4.25Å; I428-D446 PolarHBondContact N-O 2.85Å; I428-D446 PolarHBondContact O-N 3.21Å; I428-F448 HydrophobicContact CD1-CB 4.31Å
429V90.2Very high87.5Confident0 Ų060.8 Ų60.80%032%0.316CS..EExtended strand (participates in β ladder)trans-116.7122.3-170.4-174.10000109.3A417 V444 V445 F461 L471 L479 V481A417-V429 PolarHBondContact N-O 2.9Å; A417-V429 PolarHBondContact O-N 3.44Å; V429-V444 CarbonylContact C-O 3.49Å; V429-V444 WeakPolarHBondContact CA-O 3.3Å; V429-V445 HydrophobicContact CG1-CG2 4.17Å; V429-V445 HydrophobicContact CG2-CG1 4.18Å; V429-V445 HydrophobicContact CG2-CG2 4.18Å; V429-F461 HydrophobicContact CG1-CZ 4.32Å; V429-L471 HydrophobicContact CB-CD1 3.86Å; V429-L471 HydrophobicContact CB-CD2 3.76Å; V429-L471 HydrophobicContact CB-CG 4.46Å; V429-L471 HydrophobicContact CG1-CD2 3.79Å; V429-L471 HydrophobicContact CG2-CD1 3.62Å; V429-L471 HydrophobicContact CG2-CD2 3.84Å; V429-L471 HydrophobicContact CG2-CG 4.39Å; V429-L479 HydrophobicContact CG2-CD2 3.74Å; V429-V481 HydrophobicContact CG1-CG1 4.1Å; V429-V481 HydrophobicContact CG1-CG2 3.75Å
430T87.6Confident87.2Confident0 Ų061.8 Ų61.80%033%0.326CS..EExtended strand (participates in β ladder)trans52.6171.9173.3-166.50000114.2T416 R441 V442 V444 I463 P469T416-T430 VanDerWaalsContact CA-O 3.22Å; T416-T430 WeakPolarHBondContact CA-O 3.49Å; T416-T430 WeakPolarHBondContact CB-O 3.49Å; T416-T430 WeakPolarHBondContact CG2-O 3.35Å; T430-R441 VanDerWaalsContact OG1-CD 3.28Å; T430-R441 WeakPolarHBondContact OG1-CD 3.31Å; T430-R441 WeakPolarHBondContact OG1-CG 3.32Å; T430-V442 VanDerWaalsContact CA-O 3.29Å; T430-V442 WeakPolarHBondContact CA-O 3.49Å; T430-V442 VanDerWaalsContact CB-O 3.26Å; T430-V442 WeakPolarHBondContact CB-O 3.05Å; T430-V442 PolarHBondContact OG1-O 3.21Å; T430-V444 PolarHBondContact N-O 3.08Å; T430-I463 HydrophobicContact CG2-CD1 4.3Å; T430-I463 WeakPolarHBondContact OG1-CD1 3.37Å; T430-P469 HydrophobicContact CG2-CG 3.3Å
431G86.9Confident87Confident0 Ų060.6 Ų60.60%032%0.316CS..EExtended strand (participates in β ladder)trans169.1167.9179.600000109.7D414 R441 V442D414-G431 CarbonylContact O-C 3.42Å; D414-G431 VanDerWaalsContact O-CA 3.29Å; D414-G431 WeakPolarHBondContact O-CA 3.5Å; G431-R441 VanDerWaalsContact O-CA 3.25Å; G431-R441 WeakPolarHBondContact O-CA 3.3Å; G431-R441 WeakPolarHBondContact O-CG 2.95Å; G431-V442 PolarHBondContact O-N 3.31Å
432R88.8Confident87.1Confident40 Ų4058.9 Ų58.915%0.15131%0.31CS..EExtended strand (participates in β ladder)trans-87135.9175-51.5175.4-63.9-165.92108.6F367 Y389 M413 D414 I439 S440F367-R432 VanDerWaalsContact CG-NH2 3.3Å; Y389-R432 VanDerWaalsContact CD1-O 3.26Å; Y389-R432 WeakPolarHBondContact CD1-O 3.41Å; Y389-R432 HydrophobicContact CE1-CB 4.34Å; Y389-R432 VanDerWaalsContact CE1-O 3.24Å; Y389-R432 WeakPolarHBondContact CE1-O 3.17Å; M413-R432 WeakPolarHBondContact CA-O 3.45Å; D414-R432 PolarHBondContact N-O 3.48Å; D414-R432 VanDerWaalsContact N-O 3.1Å; D414-R432 PolarHBondContact O-N 2.93Å; D414-R432 WeakPolarHBondContact OD1-CB 3.38Å; D414-R432 IonicContact OD1-CZ 3.96Å; D414-R432 VanDerWaalsContact OD1-CZ 3.25Å; D414-R432 IonicContact OD1-NE 2.73Å; D414-R432 PolarHBondContact OD1-NE 2.94Å; D414-R432 IonicContact OD1-NH2 2.98Å; D414-R432 PolarHBondContact OD1-NH2 2.88Å; D414-R432 IonicContact OD2-CZ 3.34Å; D414-R432 IonicContact OD2-NE 2.69Å; D414-R432 IonicContact OD2-NH2 3.56Å; D414-R432 PolarHBondContact OD2-NH2 2.82Å; R432-I439 HydrophobicContact CB-CG2 4.19Å; R432-S440 WeakPolarHBondContact CA-O 3.5Å
433C89.1Confident87.3Confident10 Ų1056.5 Ų56.57%0.06829%0.286CS..EExtended strand (participates in β ladder)trans-144.3176.6169.868.30000109.8I411 P412 M413 S440 V442I411-C433 HydrophobicContact CG2-CB 4.45Å; P412-C433 WeakPolarHBondContact O-CB 3.41Å; M413-C433 HydrophobicContact CG-CB 4.22Å; C433-S440 PolarHBondContact N-O 3.23Å; C433-S440 PolarHBondContact O-N 3.27Å; C433-S440 VanDerWaalsContact O-O 3.1Å; C433-V442 WeakPolarHBondContact SG-CG1 3.23Å
434L87.1Confident87.5Confident100 Ų10050.9 Ų50.952%0.52426%0.256SS..EExtended strand (participates in β ladder)trans-86.3118.2172.9-81.7156.8000110.1Y389 Y438 I439Y389-L434 HydrophobicContact CD2-CD1 4.35Å; Y389-L434 HydrophobicContact CD2-CG 4.45Å; Y389-L434 HydrophobicContact CE2-CB 4.45Å; Y389-L434 HydrophobicContact CE2-CD1 3.95Å; Y389-L434 HydrophobicContact CE2-CG 3.79Å; L434-Y438 WeakPolarHBondContact CA-O 3.35Å; L434-I439 HydrophobicContact CD2-CG1 4.39Å
435V82.1Confident87.8Confident59 Ų5943.4 Ų43.436%0.35823%0.228SC..EExtended strand (participates in β ladder)trans-116.7114.6172.6-177.30000107.8G437 Y438 V442V435-G437 PolarHBondContact O-N 2.71Å; V435-G437 VanDerWaalsContact O-N 3.15Å; V435-Y438 PolarHBondContact N-O 2.99Å; V435-Y438 PolarHBondContact O-N 2.78Å; V435-V442 HydrophobicContact CG2-CG1 3.9Å
436K83.1Confident87.8Confident200 Ų20041.3 Ų41.387%0.8722%0.217SC*.THydrogen-bonded Turntrans52.135.4-178.6-58-179.6178.5-179.60113.9Y438K436-Y438 VanDerWaalsContact C-N 3.31Å; K436-Y438 WeakPolarHBondContact O-CD2 3.19Å; K436-Y438 PolarHBondContact O-N 2.89Å
437G80.7Confident87.8Confident64 Ų6441.6 Ų41.666%0.6622%0.218SC*.THydrogen-bonded Turntrans85.3-6.7-179.500000115.3V435V435-G437 PolarHBondContact O-N 2.71Å; V435-G437 VanDerWaalsContact O-N 3.15Å
438Y83.2Confident87.9Confident183 Ų18340.9 Ų40.972%0.71822%0.216SC*.EExtended strand (participates in β ladder)trans-104.9147.1176.7-60.6-84.3000111L434 V435 K436 S440L434-Y438 WeakPolarHBondContact CA-O 3.35Å; V435-Y438 PolarHBondContact N-O 2.99Å; V435-Y438 PolarHBondContact O-N 2.78Å; K436-Y438 VanDerWaalsContact C-N 3.31Å; K436-Y438 WeakPolarHBondContact O-CD2 3.19Å; K436-Y438 PolarHBondContact O-N 2.89Å; Y438-S440 PolarHBondContact O-N 3.31Å
439I82.6Confident88Confident79 Ų7942.4 Ų42.441%0.40522%0.224SC..EExtended strand (participates in β ladder)trans-75.2117.7174.4-60.9173000107.5R432 L434R432-I439 HydrophobicContact CB-CG2 4.19Å; L434-I439 HydrophobicContact CD2-CG1 4.39Å
440S84.6Confident88.1Confident54 Ų5442.9 Ų42.938%0.37823%0.227SC..EExtended strand (participates in β ladder)trans-133151.6176.2-170.50000110R432 C433 Y438R432-S440 WeakPolarHBondContact CA-O 3.5Å; C433-S440 PolarHBondContact N-O 3.23Å; C433-S440 PolarHBondContact O-N 3.27Å; C433-S440 VanDerWaalsContact O-O 3.1Å; Y438-S440 PolarHBondContact O-N 3.31Å
441R85.4Confident88.3Confident25 Ų2548.2 Ų48.29%0.09426%0.255CS..EExtended strand (participates in β ladder)trans-82.7138.7166.7-172.9168.7-67.5-95.33.6109.1G415 T430 G431 I463 F465 H467G415-R441 PolarHBondContact O-NH1 2.8Å; T430-R441 VanDerWaalsContact OG1-CD 3.28Å; T430-R441 WeakPolarHBondContact OG1-CD 3.31Å; T430-R441 WeakPolarHBondContact OG1-CG 3.32Å; G431-R441 VanDerWaalsContact O-CA 3.25Å; G431-R441 WeakPolarHBondContact O-CA 3.3Å; G431-R441 WeakPolarHBondContact O-CG 2.95Å; R441-I463 HydrophobicContact CG-CD1 4.35Å; R441-F465 WeakPolarHBondContact CB-O 3.39Å; R441-F465 VanDerWaalsContact CD-O 3.29Å; R441-F465 WeakPolarHBondContact CD-O 3.43Å; R441-H467 VanDerWaalsContact CZ-O 3.26Å; R441-H467 PolarHBondContact NE-O 3.32Å; R441-H467 VanDerWaalsContact NE-O 3.09Å
442V86.9Confident88.6Confident25 Ų2552.1 Ų52.115%0.15228%0.279CS..EExtended strand (participates in β ladder)trans-111.7138.4178.3-70.30000111.2I411 M413 T430 G431 C433 V435 V444I411-V442 HydrophobicContact CD1-CG2 4.48Å; M413-V442 HydrophobicContact CG-CG2 4.2Å; M413-V442 HydrophobicContact SD-CG2 3.4Å; M413-V442 WeakPolarHBondContact SD-CG2 3.36Å; T430-V442 VanDerWaalsContact CA-O 3.29Å; T430-V442 WeakPolarHBondContact CA-O 3.49Å; T430-V442 VanDerWaalsContact CB-O 3.26Å; T430-V442 WeakPolarHBondContact CB-O 3.05Å; T430-V442 PolarHBondContact OG1-O 3.21Å; G431-V442 PolarHBondContact O-N 3.31Å; C433-V442 WeakPolarHBondContact SG-CG1 3.23Å; V435-V442 HydrophobicContact CG2-CG1 3.9Å; V442-V444 HydrophobicContact CB-CG2 4.48Å; V442-V444 HydrophobicContact CG2-CG2 4.42Å; V442-V444 PolarHBondContact O-N 2.9Å
443G88Confident88.8Confident7 Ų751 Ų517%0.07228%0.281CS..EExtended strand (participates in β ladder)trans-88.391.1179.400000109.2T460 F461G443-T460 CarbonylContact O-C 3.6Å; G443-T460 VanDerWaalsContact O-CA 3.27Å; G443-T460 WeakPolarHBondContact O-CA 3.42Å; G443-F461 VanDerWaalsContact C-CE1 3.44Å; G443-F461 VanDerWaalsContact CA-O 3.3Å; G443-F461 WeakPolarHBondContact CA-O 3.44Å; G443-F461 PolarHBondContact O-N 3.06Å
444V89.9Confident89Confident5 Ų556.9 Ų56.93%0.0331%0.307CS..EExtended strand (participates in β ladder)trans-133.8143.3177.8178.60000109.8I411 V429 T430 V442 I459 T460I411-V444 HydrophobicContact CD1-CG2 3.63Å; V429-V444 CarbonylContact C-O 3.49Å; V429-V444 WeakPolarHBondContact CA-O 3.3Å; T430-V444 PolarHBondContact N-O 3.08Å; V442-V444 HydrophobicContact CB-CG2 4.48Å; V442-V444 HydrophobicContact CG2-CG2 4.42Å; V442-V444 PolarHBondContact O-N 2.9Å; V444-I459 CarbonylContact C-O 3.58Å; V444-I459 VanDerWaalsContact CA-O 3.25Å; V444-I459 WeakPolarHBondContact CA-O 3.41Å; V444-T460 HydrophobicContact CG2-CG2 4.11Å
445V92.8Very high89.3Confident2 Ų253.9 Ų53.91%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-120113.6165-175.40000108.4Y427 I428 V429 C458 I459 F461 L479 I490Y427-V445 HydrophobicContact CD1-CG1 4.18Å; I428-V445 CarbonylContact O-C 3.47Å; I428-V445 WeakPolarHBondContact O-CA 3.14Å; V429-V445 HydrophobicContact CG1-CG2 4.17Å; V429-V445 HydrophobicContact CG2-CG1 4.18Å; V429-V445 HydrophobicContact CG2-CG2 4.18Å; V445-C458 CarbonylContact O-C 3.5Å; V445-C458 WeakPolarHBondContact O-CA 3.36Å; V445-I459 HydrophobicContact CB-CB 4.24Å; V445-I459 PolarHBondContact N-O 2.86Å; V445-I459 PolarHBondContact O-N 2.87Å; V445-F461 HydrophobicContact CG2-CD1 4.35Å; V445-F461 HydrophobicContact CG2-CE1 3.73Å; V445-L479 HydrophobicContact CG1-CD2 3.99Å; V445-L479 HydrophobicContact CG2-CD2 4.24Å; V445-I490 HydrophobicContact CG2-CD1 3.39Å
446D94.1Very high89.8Confident0 Ų055.2 Ų55.20%030%0.301CS..EExtended strand (participates in β ladder)trans-94.9121.8166.5-74.6-20.4000108.8S410 Y427 I428 V455S410-D446 VanDerWaalsContact CB-OD1 3.28Å; S410-D446 WeakPolarHBondContact CB-OD1 3.41Å; S410-D446 WeakPolarHBondContact CB-OD2 3.27Å; S410-D446 PolarHBondContact N-OD2 2.98Å; S410-D446 VanDerWaalsContact OG-CG 3.26Å; S410-D446 PolarHBondContact OG-OD1 3.18Å; S410-D446 PolarHBondContact OG-OD2 2.86Å; Y427-D446 WeakPolarHBondContact CA-O 3.41Å; I428-D446 HydrophobicContact CB-CB 4.25Å; I428-D446 PolarHBondContact N-O 2.85Å; I428-D446 PolarHBondContact O-N 3.21Å; D446-V455 HydrophobicContact CB-CG1 3.82Å; D446-V455 HydrophobicContact CB-CG2 4.12Å
447C93.9Very high90.2Very high5 Ų547.7 Ų47.73%0.03427%0.269CS..EExtended strand (participates in β ladder)trans-91.2106.5165.5-173.20000108L426 Y427 V455 V456 Q457L426-C447 WeakPolarHBondContact O-CA 3.25Å; Y427-C447 HydrophobicContact CD1-CB 4.2Å; Y427-C447 HydrophobicContact CE1-CB 3.97Å; Y427-C447 VanDerWaalsContact CE1-SG 3.58Å; C447-V455 CarbonylContact O-C 3.5Å; C447-V455 WeakPolarHBondContact O-CA 3.49Å; C447-V456 HydrophobicContact CB-CG2 4.13Å; C447-V456 WeakPolarHBondContact O-CG2 3.46Å; C447-V456 PolarHBondContact O-N 2.8Å; C447-Q457 HydrophobicContact CB-CB 3.8Å; C447-Q457 PolarHBondContact N-O 3.42Å
448F95.5Very high90.6Very high1 Ų147.6 Ų47.60%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-100.1123.9179.9178-95.7000110.3I393 A406 N425 L426 I428 T450 G453 V455I393-F448 HydrophobicContact CD1-CB 4.43Å; I393-F448 HydrophobicContact CD1-CD1 4.22Å; I393-F448 HydrophobicContact CD1-CD2 3.55Å; I393-F448 HydrophobicContact CD1-CE1 4.36Å; I393-F448 HydrophobicContact CD1-CE2 3.73Å; I393-F448 HydrophobicContact CD1-CG 3.8Å; I393-F448 HydrophobicContact CD1-CZ 4.13Å; I393-F448 HydrophobicContact CG2-CE1 4.27Å; I393-F448 HydrophobicContact CG2-CZ 4.35Å; A406-F448 HydrophobicContact CB-CZ 4.33Å; N425-F448 WeakPolarHBondContact CA-O 3.44Å; L426-F448 HydrophobicContact CB-CB 4.24Å; L426-F448 HydrophobicContact CB-CD1 4.46Å; L426-F448 HydrophobicContact CD1-CD1 3.81Å; L426-F448 HydrophobicContact CD1-CE1 4.39Å; L426-F448 HydrophobicContact CG-CD1 4.17Å; L426-F448 PolarHBondContact N-O 2.72Å; L426-F448 PolarHBondContact O-N 3.06Å; I428-F448 HydrophobicContact CD1-CB 4.31Å; F448-T450 HydrophobicContact CD1-CG2 4.26Å; F448-T450 HydrophobicContact CE1-CG2 4.2Å; F448-G453 VanDerWaalsContact CE2-O 3.31Å; F448-G453 WeakPolarHBondContact CE2-O 3.41Å; F448-V455 HydrophobicContact CD2-CG2 4.15Å
449D94.8Very high90.9Very high31 Ų3139.1 Ų39.117%0.16622%0.224CC..EExtended strand (participates in β ladder)trans-91.3119.6175-177.2-18.7000109.4N451 T452 G453 E454 V456D449-N451 VanDerWaalsContact C-N 3.25Å; D449-N451 PolarHBondContact O-N 3.41Å; D449-N451 WeakPolarHBondContact OD1-CB 3.24Å; D449-N451 PolarHBondContact OD1-N 3.34Å; D449-T452 WeakPolarHBondContact CB-OG1 3.41Å; D449-G453 WeakPolarHBondContact O-CA 3.14Å; D449-G453 PolarHBondContact O-N 3.03Å; D449-E454 PolarHBondContact N-O 3.46Å; D449-V456 HydrophobicContact CB-CG1 3.77Å; D449-V456 HydrophobicContact CB-CG2 4.48Å
450T93.4Very high91.1Very high11 Ų1140.4 Ų40.47%0.06724%0.236CC..THydrogen-bonded Turntrans-70.7-16.5-176.955.10000114.4Y378 R424 L426 F448Y378-T450 HydrophobicContact CE1-CG2 3.97Å; Y378-T450 HydrophobicContact CE2-CG2 3.96Å; Y378-T450 WeakPolarHBondContact OH-CB 3.2Å; Y378-T450 WeakPolarHBondContact OH-CG2 3.3Å; R424-T450 WeakPolarHBondContact CA-OG1 3.5Å; R424-T450 WeakPolarHBondContact O-CB 3.26Å; R424-T450 VanDerWaalsContact O-CG2 3.32Å; R424-T450 WeakPolarHBondContact O-CG2 3.44Å; R424-T450 PolarHBondContact O-N 3.14Å; R424-T450 PolarHBondContact O-OG1 3.07Å; L426-T450 HydrophobicContact CD1-CG2 4.31Å; L426-T450 HydrophobicContact CG-CG2 4.05Å; F448-T450 HydrophobicContact CD1-CG2 4.26Å; F448-T450 HydrophobicContact CE1-CG2 4.2Å
451N91.5Very high91.1Very high112 Ų11238.5 Ų38.560%0.59922%0.221SC*.THydrogen-bonded Turntrans-83.5-46.6176.3-68.9-40.6000112.1D449D449-N451 VanDerWaalsContact C-N 3.25Å; D449-N451 PolarHBondContact O-N 3.41Å; D449-N451 WeakPolarHBondContact OD1-CB 3.24Å; D449-N451 PolarHBondContact OD1-N 3.34Å
452T92.7Very high90.7Very high81 Ų8143.1 Ų43.150%0.49725%0.254SS..THydrogen-bonded Turntrans-79.6-27.7-179.963.50000111.6D449 E454D449-T452 WeakPolarHBondContact CB-OG1 3.41Å; T452-E454 VanDerWaalsContact C-N 3.3Å; T452-E454 PolarHBondContact OG1-N 3.21Å
453G93.4Very high90.1Very high18 Ų1843.4 Ų43.419%0.18625%0.254CS..THydrogen-bonded Turntrans76.720.2-174.200000113A406 G407 F448 D449A406-G453 WeakPolarHBondContact O-CA 3.37Å; G407-G453 WeakPolarHBondContact CA-O 3.31Å; F448-G453 VanDerWaalsContact CE2-O 3.31Å; F448-G453 WeakPolarHBondContact CE2-O 3.41Å; D449-G453 WeakPolarHBondContact O-CA 3.14Å; D449-G453 PolarHBondContact O-N 3.03Å
454E93.8Very high89.1Confident132 Ų13249.6 Ų49.662%0.61728%0.281SS*.EExtended strand (participates in β ladder)trans-125.3153-174.9-62.9-171.2160.700112.2D449 T452 V456D449-E454 PolarHBondContact N-O 3.46Å; T452-E454 VanDerWaalsContact C-N 3.3Å; T452-E454 PolarHBondContact OG1-N 3.21Å; E454-V456 PolarHBondContact O-N 3.17Å
455V94.1Very high88.2Confident38 Ų3849.6 Ų49.623%0.2328%0.281CS..EExtended strand (participates in β ladder)trans-78.1105.2168.4177.40000107.9K408 D446 C447 F448 Q457 C458K408-V455 WeakPolarHBondContact O-CG2 3.38Å; D446-V455 HydrophobicContact CB-CG1 3.82Å; D446-V455 HydrophobicContact CB-CG2 4.12Å; C447-V455 CarbonylContact O-C 3.5Å; C447-V455 WeakPolarHBondContact O-CA 3.49Å; F448-V455 HydrophobicContact CD2-CG2 4.15Å; V455-Q457 WeakPolarHBondContact CG1-O 3.41Å; V455-C458 HydrophobicContact CG1-CB 4.48Å
456V92.6Very high87Confident87 Ų8755.8 Ų55.853%0.52731%0.314SS..EExtended strand (participates in β ladder)trans-80.7-18.6-177.7-630000112.8C447 D449 E454C447-V456 HydrophobicContact CB-CG2 4.13Å; C447-V456 WeakPolarHBondContact O-CG2 3.46Å; C447-V456 PolarHBondContact O-N 2.8Å; D449-V456 HydrophobicContact CB-CG1 3.77Å; D449-V456 HydrophobicContact CB-CG2 4.48Å; E454-V456 PolarHBondContact O-N 3.17Å
457Q89.8Confident85.9Confident42 Ų4258.4 Ų58.420%0.19633%0.326CS..EExtended strand (participates in β ladder)trans-151.1132.8178.6-170.8179.45.900110.7C447 V455 I459 L492C447-Q457 HydrophobicContact CB-CB 3.8Å; C447-Q457 PolarHBondContact N-O 3.42Å; V455-Q457 WeakPolarHBondContact CG1-O 3.41Å; Q457-I459 HydrophobicContact CG-CG1 4.18Å; Q457-L492 PolarHBondContact NE2-O 3.46Å
458C90.8Very high85Confident61 Ų6162.7 Ų62.741%0.41234%0.342SS..EExtended strand (participates in β ladder)trans-124.1124.9173.9172.10000109.4V445 V455V445-C458 CarbonylContact O-C 3.5Å; V445-C458 WeakPolarHBondContact O-CA 3.36Å; V455-C458 HydrophobicContact CG1-CB 4.48Å
459I88.8Confident84.2Confident6 Ų663 Ų633%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-121.4123179.5-50.3178.5000109.1V444 V445 Q457 I490 L492 I495V444-I459 CarbonylContact C-O 3.58Å; V444-I459 VanDerWaalsContact CA-O 3.25Å; V444-I459 WeakPolarHBondContact CA-O 3.41Å; V445-I459 HydrophobicContact CB-CB 4.24Å; V445-I459 PolarHBondContact N-O 2.86Å; V445-I459 PolarHBondContact O-N 2.87Å; Q457-I459 HydrophobicContact CG-CG1 4.18Å; I459-I490 HydrophobicContact CD1-CG2 3.72Å; I459-I490 HydrophobicContact CG2-CG2 4.2Å; I459-L492 HydrophobicContact CD1-CD2 3.96Å; I459-I495 HydrophobicContact CD1-CG2 4.24Å; I459-I495 HydrophobicContact CG1-CG2 3.81Å; I459-I495 HydrophobicContact CG2-CG2 4.47Å
460T87Confident83.4Confident106 Ų10661.9 Ų61.965%0.6534%0.338SS*.EExtended strand (participates in β ladder)trans-100.4143.3173.561.10000111.2G443 V444G443-T460 CarbonylContact O-C 3.6Å; G443-T460 VanDerWaalsContact O-CA 3.27Å; G443-T460 WeakPolarHBondContact O-CA 3.42Å; V444-T460 HydrophobicContact CG2-CG2 4.11Å
461F84Confident82.8Confident13 Ų1362.1 Ų62.16%0.05734%0.338CS..  trans-148.3153.1178.561.3-84.3000111.1V429 G443 V445 I463 V481 V488 I490 A497V429-F461 HydrophobicContact CG1-CZ 4.32Å; G443-F461 VanDerWaalsContact C-CE1 3.44Å; G443-F461 VanDerWaalsContact CA-O 3.3Å; G443-F461 WeakPolarHBondContact CA-O 3.44Å; G443-F461 PolarHBondContact O-N 3.06Å; V445-F461 HydrophobicContact CG2-CD1 4.35Å; V445-F461 HydrophobicContact CG2-CE1 3.73Å; F461-I463 HydrophobicContact CE2-CB 4.21Å; F461-I463 HydrophobicContact CE2-CD1 3.9Å; F461-I463 HydrophobicContact CE2-CG1 4.33Å; F461-I463 HydrophobicContact CZ-CD1 4.23Å; F461-I463 PolarHBondContact O-N 2.55Å; F461-V481 HydrophobicContact CZ-CG2 4.49Å; F461-V488 HydrophobicContact CD2-CG1 4.15Å; F461-V488 HydrophobicContact CE2-CG1 4.49Å; F461-I490 HydrophobicContact CD1-CD1 3.69Å; F461-I490 HydrophobicContact CE1-CD1 3.51Å; F461-I490 HydrophobicContact CE2-CD1 4.46Å; F461-I490 HydrophobicContact CG-CD1 4.27Å; F461-I490 HydrophobicContact CZ-CD1 3.93Å; F461-A497 HydrophobicContact CB-CB 3.58Å; F461-A497 HydrophobicContact CG-CB 4.37Å
462P77.1Confident82.2Confident123 Ų12357.3 Ų57.380%0.79931%0.314SS*.  trans-66.7132175.527.6-33.4000110
463I74.8Confident81.5Confident30 Ų3055.6 Ų55.615%0.15430%0.3CS..  trans-132135.1178.7-163.7160000109.9T430 R441 F461 F465T430-I463 HydrophobicContact CG2-CD1 4.3Å; T430-I463 WeakPolarHBondContact OG1-CD1 3.37Å; R441-I463 HydrophobicContact CG-CD1 4.35Å; F461-I463 HydrophobicContact CE2-CB 4.21Å; F461-I463 HydrophobicContact CE2-CD1 3.9Å; F461-I463 HydrophobicContact CE2-CG1 4.33Å; F461-I463 HydrophobicContact CZ-CD1 4.23Å; F461-I463 PolarHBondContact O-N 2.55Å; I463-F465 HydrophobicContact CD1-CB 4.17Å; I463-F465 HydrophobicContact CD1-CD2 3.19Å; I463-F465 HydrophobicContact CD1-CE2 3.68Å; I463-F465 HydrophobicContact CD1-CG 3.89Å; I463-F465 HydrophobicContact CG1-CB 3.85Å; I463-F465 HydrophobicContact CG1-CD1 4.14Å; I463-F465 HydrophobicContact CG1-CD2 3.25Å; I463-F465 HydrophobicContact CG1-CE1 4.48Å; I463-F465 HydrophobicContact CG1-CE2 3.68Å; I463-F465 HydrophobicContact CG1-CG 3.49Å; I463-F465 VanDerWaalsContact CG1-CG 3.49Å; I463-F465 HydrophobicContact CG1-CZ 4.29Å
464E67.2Low80.2Confident137 Ų13759.2 Ų59.264%0.6431%0.311SS*.  trans-115.612.2173.6-67.4175.6170.300111.2Q486E464-Q486 PolarHBondContact OE2-NE2 3.08Å
465F71.1Confident79Confident6 Ų658.6 Ų58.63%0.02631%0.308CS..  trans-81128.8-173.4-45.5-26.7000110.2R441 I463 P469 V481 S483 Q486 V488R441-F465 WeakPolarHBondContact CB-O 3.39Å; R441-F465 VanDerWaalsContact CD-O 3.29Å; R441-F465 WeakPolarHBondContact CD-O 3.43Å; I463-F465 HydrophobicContact CD1-CB 4.17Å; I463-F465 HydrophobicContact CD1-CD2 3.19Å; I463-F465 HydrophobicContact CD1-CE2 3.68Å; I463-F465 HydrophobicContact CD1-CG 3.89Å; I463-F465 HydrophobicContact CG1-CB 3.85Å; I463-F465 HydrophobicContact CG1-CD1 4.14Å; I463-F465 HydrophobicContact CG1-CD2 3.25Å; I463-F465 HydrophobicContact CG1-CE1 4.48Å; I463-F465 HydrophobicContact CG1-CE2 3.68Å; I463-F465 HydrophobicContact CG1-CG 3.49Å; I463-F465 VanDerWaalsContact CG1-CG 3.49Å; I463-F465 HydrophobicContact CG1-CZ 4.29Å; F465-P469 HydrophobicContact CD2-CB 4.49Å; F465-V481 HydrophobicContact CD2-CG1 4.49Å; F465-V481 HydrophobicContact CE2-CG1 3.91Å; F465-S483 VanDerWaalsContact CD1-OG 3.25Å; F465-S483 WeakPolarHBondContact CD1-OG 3.42Å; F465-S483 VanDerWaalsContact CE1-CB 3.46Å; F465-S483 VanDerWaalsContact CG-CB 3.44Å; F465-S483 WeakPolarHBondContact CG-OG 3.4Å; F465-Q486 HydrophobicContact CE1-CB 3.63Å; F465-Q486 HydrophobicContact CZ-CB 4.35Å; F465-V488 HydrophobicContact CZ-CG2 3.89Å
466N67.6Low77.8Confident131 Ų13162.3 Ų62.370%0.70133%0.327SS*.  trans-87.8-20.6172.1-67.2-28.1000112.5
467H70.8Confident77.1Confident56 Ų5660.4 Ų60.426%0.25931%0.314SS..SBendtrans-105.1165.9-173.2-46.8-82.8000112.5R441 D514R441-H467 VanDerWaalsContact CZ-O 3.26Å; R441-H467 PolarHBondContact NE-O 3.32Å; R441-H467 VanDerWaalsContact NE-O 3.09Å; H467-D514 IonicContact CE1-OD1 3.68Å
468R75.2Confident76.7Confident94 Ų9459.7 Ų59.736%0.35531%0.311SS..PPolyproline II helixtrans-66.6122.7173-172.6-178.5-166.4-162.83.8108.5T369 T416 A417T369-R468 PolarHBondContact OG1-NH2 2.66Å; T369-R468 VanDerWaalsContact OG1-NH2 3.16Å; T416-R468 VanDerWaalsContact O-CZ 3.32Å; T416-R468 PolarHBondContact O-NE 3.43Å; T416-R468 PolarHBondContact O-NH2 3.46Å; A417-R468 HydrophobicContact CB-CG 4.25Å
469P78.2Confident76.4Confident7 Ų756.8 Ų56.85%0.04529%0.292CS..PPolyproline II helixtrans-77160.3-177.932.9-36.4000111.2A417 T430 F465 L471 V481 H482A417-P469 HydrophobicContact CB-CG 4.02Å; T430-P469 HydrophobicContact CG2-CG 3.3Å; F465-P469 HydrophobicContact CD2-CB 4.49Å; P469-L471 HydrophobicContact CG-CD2 4.35Å; P469-V481 HydrophobicContact CB-CG1 3.52Å; P469-V481 HydrophobicContact CG-CG1 3.79Å; P469-H482 VanDerWaalsContact CA-O 3.25Å; P469-H482 WeakPolarHBondContact CA-O 3.47Å; P469-H482 WeakPolarHBondContact CB-O 3.49Å
470L77Confident76Confident9 Ų959.2 Ų59.25%0.04730%0.3CS..EExtended strand (participates in β ladder)trans-88.9137.8166.2174.974.6000109.6H482 L506 I519 V527 Q555L470-H482 HydrophobicContact CB-CB 4.21Å; L470-H482 HydrophobicContact CD2-CB 4.5Å; L470-H482 PolarHBondContact N-O 3Å; L470-H482 PolarHBondContact O-N 3.08Å; L470-L506 HydrophobicContact CB-CD2 3.76Å; L470-L506 HydrophobicContact CD2-CD2 3.65Å; L470-L506 HydrophobicContact CG-CD2 4.39Å; L470-I519 HydrophobicContact CD1-CG2 3.88Å; L470-V527 HydrophobicContact CD1-CB 4.33Å; L470-V527 HydrophobicContact CD1-CG1 3.49Å; L470-V527 VanDerWaalsContact CD1-CG1 3.49Å; L470-V527 HydrophobicContact CD1-CG2 3.89Å; L470-V527 HydrophobicContact CD2-CB 4.17Å; L470-V527 HydrophobicContact CD2-CG1 3.91Å; L470-V527 HydrophobicContact CD2-CG2 3.31Å; L470-V527 HydrophobicContact CG-CG1 4.29Å; L470-V527 HydrophobicContact CG-CG2 4.18Å; L470-Q555 VanDerWaalsContact CD2-NE2 3.25Å
471L81.5Confident75.7Confident15 Ų1554.1 Ų54.18%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-111.2138.7178.6-53.4-179.1000110.6A417 I419 V429 P469 L479 R480 V481A417-L471 HydrophobicContact CB-CD1 3.58Å; A417-L471 HydrophobicContact CB-CD2 4.24Å; A417-L471 HydrophobicContact CB-CG 3.79Å; I419-L471 HydrophobicContact CB-CB 4.09Å; I419-L471 HydrophobicContact CB-CD1 4.01Å; I419-L471 HydrophobicContact CD1-CB 4.22Å; I419-L471 HydrophobicContact CG2-CB 4.1Å; I419-L471 HydrophobicContact CG2-CD1 3.86Å; V429-L471 HydrophobicContact CB-CD1 3.86Å; V429-L471 HydrophobicContact CB-CD2 3.76Å; V429-L471 HydrophobicContact CB-CG 4.46Å; V429-L471 HydrophobicContact CG1-CD2 3.79Å; V429-L471 HydrophobicContact CG2-CD1 3.62Å; V429-L471 HydrophobicContact CG2-CD2 3.84Å; V429-L471 HydrophobicContact CG2-CG 4.39Å; P469-L471 HydrophobicContact CG-CD2 4.35Å; L471-L479 HydrophobicContact CB-CD1 4.45Å; L471-R480 WeakPolarHBondContact CA-O 3.41Å; L471-V481 HydrophobicContact CD2-CB 4.42Å; L471-V481 HydrophobicContact CD2-CG1 4.14Å; L471-V481 HydrophobicContact CD2-CG2 4.08Å
472S78.8Confident75.2Confident11 Ų1154 Ų548%0.07727%0.268CS..EExtended strand (participates in β ladder)trans-148.5155.5168.963.30000111.2R480 H482S472-R480 PolarHBondContact N-O 2.86Å; S472-R480 VanDerWaalsContact N-O 3.15Å; S472-R480 PolarHBondContact O-N 3.49Å; S472-H482 PolarHBondContact OG-NE2 3.34Å
473F77.6Confident74.9Confident46 Ų4648.7 Ų48.720%0.20223%0.234CC..EExtended strand (participates in β ladder)trans-100.4122.1168.5-75.8-72.8000108.8I419 K421 Y427 L479 L492I419-F473 HydrophobicContact CB-CE2 4.44Å; I419-F473 HydrophobicContact CD1-CD2 3.61Å; I419-F473 HydrophobicContact CD1-CE2 3.78Å; I419-F473 HydrophobicContact CG1-CD2 4.16Å; I419-F473 HydrophobicContact CG1-CE2 3.87Å; I419-F473 HydrophobicContact CG2-CE2 3.75Å; I419-F473 HydrophobicContact CG2-CZ 4.12Å; K421-F473 HydrophobicContact CB-CE2 4.16Å; K421-F473 HydrophobicContact CB-CZ 4.2Å; K421-F473 HydrophobicContact CD-CZ 4.49Å; Y427-F473 HydrophobicContact CD2-CE2 4.41Å; Y427-F473 AromaticContact CD2-CZ 3.75Å; Y427-F473 HydrophobicContact CD2-CZ 3.75Å; Y427-F473 AromaticContact CE2-CZ 3.94Å; Y427-F473 HydrophobicContact CE2-CZ 3.94Å; Y427-F473 HydrophobicContact CG-CZ 4.15Å; F473-L479 HydrophobicContact CD1-CB 4.43Å; F473-L479 HydrophobicContact CD1-CD1 4.44Å; F473-L479 HydrophobicContact CE1-CB 4.04Å; F473-L479 HydrophobicContact CE1-CD1 4.06Å; F473-L479 HydrophobicContact CZ-CD1 4.1Å; F473-L492 HydrophobicContact CE1-CD1 3.82Å
474H65.9Low74.2Confident94 Ų9449.9 Ų49.944%0.43524%0.239SC..EExtended strand (participates in β ladder)trans-89.5-35.8175.2-176.7-110.7000112.2I478 R480H474-I478 PolarHBondContact N-O 2.89Å; H474-R480 HydrophobicContact CB-CG 4.29Å; H474-R480 PolarHBondContact CD2-NH1 3.23Å; H474-R480 PolarHBondContact CE1-NH2 2.78Å; H474-R480 PolarHBondContact ND1-NH2 2.94Å; H474-R480 PolarHBondContact NE2-NH1 3.21Å
475Q68.8Low73.9Confident118 Ų11853.1 Ų53.155%0.55125%0.246SC*.EExtended strand (participates in β ladder)trans-139.4169.9173.7-69.3177.2-6.400107.3N477 I478Q475-N477 PolarHBondContact O-N 3.49Å; Q475-I478 PolarHBondContact O-N 3.14Å
476D68.8Low73.7Confident117 Ų11755.6 Ų55.663%0.62626%0.257SS*.THydrogen-bonded Turntrans-49.7-32.7-179-90.4-41.5000113.7K421K421-D476 WeakPolarHBondContact CE-O 3.29Å; K421-D476 PolarHBondContact NZ-O 2.88Å; K421-D476 IonicContact NZ-OD1 3.95Å
477N78.4Confident74.1Confident46 Ų4649.6 Ų49.625%0.24623%0.226CC..THydrogen-bonded Turntrans-118.35.6-170.9-56.5-47.7000114.5Q475 L492 Q493Q475-N477 PolarHBondContact O-N 3.49Å; N477-L492 PolarHBondContact O-N 3.34Å; N477-Q493 HydrophobicContact CB-CG 3.92Å; N477-Q493 PolarHBondContact ND2-NE2 2.91Å; N477-Q493 PolarHBondContact ND2-OE1 3.39Å
478I82.3Confident74.5Confident28 Ų2847.5 Ų47.514%0.14422%0.217CC..EExtended strand (participates in β ladder)trans-116.6106.5-177.9-56.8178.8000108.9H474 Q475 E489 I490H474-I478 PolarHBondContact N-O 2.89Å; Q475-I478 PolarHBondContact O-N 3.14Å; I478-E489 HydrophobicContact CG2-CB 4.03Å; I478-E489 HydrophobicContact CG2-CG 4.45Å; I478-I490 WeakPolarHBondContact CA-O 3.36Å
479L82.8Confident74.9Confident0 Ų045.1 Ų45.10%021%0.21CC..EExtended strand (participates in β ladder)trans-88.2120.9172.5175.364.1000108.7I419 V429 V445 L471 F473 V481 I490 L492I419-L479 HydrophobicContact CG2-CD1 3.87Å; V429-L479 HydrophobicContact CG2-CD2 3.74Å; V445-L479 HydrophobicContact CG1-CD2 3.99Å; V445-L479 HydrophobicContact CG2-CD2 4.24Å; L471-L479 HydrophobicContact CB-CD1 4.45Å; F473-L479 HydrophobicContact CD1-CB 4.43Å; F473-L479 HydrophobicContact CD1-CD1 4.44Å; F473-L479 HydrophobicContact CE1-CB 4.04Å; F473-L479 HydrophobicContact CE1-CD1 4.06Å; F473-L479 HydrophobicContact CZ-CD1 4.1Å; L479-V481 HydrophobicContact CG-CG2 4.5Å; L479-I490 HydrophobicContact CB-CB 4.38Å; L479-I490 PolarHBondContact N-O 2.92Å; L479-I490 PolarHBondContact O-N 3.24Å; L479-L492 HydrophobicContact CB-CD1 4.43Å; L479-L492 HydrophobicContact CB-CD2 4.47Å; L479-L492 HydrophobicContact CB-CG 4.43Å
480R81Confident75.1Confident56 Ų5644.8 Ų44.821%0.21121%0.208CC..EExtended strand (participates in β ladder)trans-96.2127.4173.9-62.7-167.1164.8150.70.2110.1L471 S472 H474 H482 E489L471-R480 WeakPolarHBondContact CA-O 3.41Å; S472-R480 PolarHBondContact N-O 2.86Å; S472-R480 VanDerWaalsContact N-O 3.15Å; S472-R480 PolarHBondContact O-N 3.49Å; H474-R480 HydrophobicContact CB-CG 4.29Å; H474-R480 PolarHBondContact CD2-NH1 3.23Å; H474-R480 PolarHBondContact CE1-NH2 2.78Å; H474-R480 PolarHBondContact ND1-NH2 2.94Å; H474-R480 PolarHBondContact NE2-NH1 3.21Å; R480-H482 VanDerWaalsContact CB-NE2 3.3Å; R480-H482 WeakPolarHBondContact CB-NE2 3.23Å; R480-E489 HydrophobicContact CG-CG 4.17Å; R480-E489 IonicContact CZ-OE1 3.16Å; R480-E489 IonicContact NE-OE1 2.72Å; R480-E489 PolarHBondContact NE-OE1 3.43Å; R480-E489 IonicContact NH2-OE1 2.8Å; R480-E489 PolarHBondContact NH2-OE1 3.39Å
481V80.1Confident75.3Confident0 Ų045.9 Ų45.90%021%0.214CC..EExtended strand (participates in β ladder)trans-108.3103.2173.3-171.10000106.9V429 F461 F465 P469 L471 L479 V488 I490V429-V481 HydrophobicContact CG1-CG1 4.1Å; V429-V481 HydrophobicContact CG1-CG2 3.75Å; F461-V481 HydrophobicContact CZ-CG2 4.49Å; F465-V481 HydrophobicContact CD2-CG1 4.49Å; F465-V481 HydrophobicContact CE2-CG1 3.91Å; P469-V481 HydrophobicContact CB-CG1 3.52Å; P469-V481 HydrophobicContact CG-CG1 3.79Å; L471-V481 HydrophobicContact CD2-CB 4.42Å; L471-V481 HydrophobicContact CD2-CG1 4.14Å; L471-V481 HydrophobicContact CD2-CG2 4.08Å; L479-V481 HydrophobicContact CG-CG2 4.5Å; V481-V488 HydrophobicContact CB-CB 4.48Å; V481-V488 PolarHBondContact N-O 3.14Å; V481-V488 PolarHBondContact O-N 3.36Å; V481-I490 HydrophobicContact CG2-CD1 3.71Å; V481-I490 HydrophobicContact CG2-CG1 4.39Å
482H74.4Confident75.3Confident9 Ų945.7 Ų45.74%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-94.5136.2-179.8-63.4-85.4000109.9P469 L470 S472 R480 L506P469-H482 VanDerWaalsContact CA-O 3.25Å; P469-H482 WeakPolarHBondContact CA-O 3.47Å; P469-H482 WeakPolarHBondContact CB-O 3.49Å; L470-H482 HydrophobicContact CB-CB 4.21Å; L470-H482 HydrophobicContact CD2-CB 4.5Å; L470-H482 PolarHBondContact N-O 3Å; L470-H482 PolarHBondContact O-N 3.08Å; S472-H482 PolarHBondContact OG-NE2 3.34Å; R480-H482 VanDerWaalsContact CB-NE2 3.3Å; R480-H482 WeakPolarHBondContact CB-NE2 3.23Å; H482-L506 HydrophobicContact CB-CD1 4.4Å; H482-L506 HydrophobicContact CB-CD2 3.62Å; H482-L506 HydrophobicContact CB-CG 4.15Å; H482-L506 WeakPolarHBondContact O-CD1 3.21Å
483S70.1Confident75.3Confident12 Ų1251.7 Ų51.78%0.08424%0.239CC..  trans-124.4168.6168.5-176.80000109.3F465 R485 Q486 L506F465-S483 VanDerWaalsContact CD1-OG 3.25Å; F465-S483 WeakPolarHBondContact CD1-OG 3.42Å; F465-S483 VanDerWaalsContact CE1-CB 3.46Å; F465-S483 VanDerWaalsContact CG-CB 3.44Å; F465-S483 WeakPolarHBondContact CG-OG 3.4Å; S483-R485 PolarHBondContact O-N 3.17Å; S483-R485 VanDerWaalsContact O-N 3.17Å; S483-Q486 CarbonylContact C-O 3.59Å; S483-Q486 WeakPolarHBondContact CA-O 3.37Å; S483-Q486 WeakPolarHBondContact CB-O 3.25Å; S483-Q486 PolarHBondContact N-O 3.41Å; S483-Q486 PolarHBondContact O-N 3.45Å; S483-Q486 VanDerWaalsContact O-O 3.06Å; S483-L506 WeakPolarHBondContact O-CG 3.45Å
484H60.7Low75.1Confident55 Ų5556.6 Ų56.626%0.25526%0.261SS..SBendtrans-56.6-38.7-171.2-179.5-123.6000113.3
485R60.7Low75.5Confident206 Ų20656.8 Ų56.878%0.77726%0.264SS*.SBendtrans-116.6-3.2-176.6-62.3-175.3177.9175.20.6114.3S483S483-R485 PolarHBondContact O-N 3.17Å; S483-R485 VanDerWaalsContact O-N 3.17Å
486Q67.6Low75.6Confident57 Ų5757.8 Ų57.827%0.26627%0.266SS..  trans-148.3146.7-169.2-68.9-174.73.700110.5E464 F465 S483E464-Q486 PolarHBondContact OE2-NE2 3.08Å; F465-Q486 HydrophobicContact CE1-CB 3.63Å; F465-Q486 HydrophobicContact CZ-CB 4.35Å; S483-Q486 CarbonylContact C-O 3.59Å; S483-Q486 WeakPolarHBondContact CA-O 3.37Å; S483-Q486 WeakPolarHBondContact CB-O 3.25Å; S483-Q486 PolarHBondContact N-O 3.41Å; S483-Q486 PolarHBondContact O-N 3.45Å; S483-Q486 VanDerWaalsContact O-O 3.06Å
487S75Confident75.6Confident6 Ų654 Ų544%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-127.7141.2173.264.70000110.2S500 T502S487-S500 PolarHBondContact O-N 3.3Å; S487-T502 PolarHBondContact OG-O 3.24Å
488V79.9Confident74.9Confident12 Ų1256.7 Ų56.77%0.07327%0.266CS..EExtended strand (participates in β ladder)trans-124128.9176.5175.60000108.3F461 F465 V481 I490 A497F461-V488 HydrophobicContact CD2-CG1 4.15Å; F461-V488 HydrophobicContact CE2-CG1 4.49Å; F465-V488 HydrophobicContact CZ-CG2 3.89Å; V481-V488 HydrophobicContact CB-CB 4.48Å; V481-V488 PolarHBondContact N-O 3.14Å; V481-V488 PolarHBondContact O-N 3.36Å; V488-I490 HydrophobicContact CG1-CG1 4Å; V488-A497 HydrophobicContact CG1-CB 4.28Å
489E83Confident73.8Confident44 Ų4462.6 Ų62.621%0.20629%0.29CS..EExtended strand (participates in β ladder)trans-101.7125.6173.7-60.7-164.7151.800109.4I478 R480 N498I478-E489 HydrophobicContact CG2-CB 4.03Å; I478-E489 HydrophobicContact CG2-CG 4.45Å; R480-E489 HydrophobicContact CG-CG 4.17Å; R480-E489 IonicContact CZ-OE1 3.16Å; R480-E489 IonicContact NE-OE1 2.72Å; R480-E489 PolarHBondContact NE-OE1 3.43Å; R480-E489 IonicContact NH2-OE1 2.8Å; R480-E489 PolarHBondContact NH2-OE1 3.39Å; E489-N498 PolarHBondContact N-O 2.87Å; E489-N498 PolarHBondContact O-N 3.23Å
490I81.8Confident72.5Confident0 Ų063.9 Ų63.90%030%0.299CS..EExtended strand (participates in β ladder)trans-111.8112.1-178.3-55.9178.7000107.7V445 I459 F461 I478 L479 V481 V488 L492 A497V445-I490 HydrophobicContact CG2-CD1 3.39Å; I459-I490 HydrophobicContact CD1-CG2 3.72Å; I459-I490 HydrophobicContact CG2-CG2 4.2Å; F461-I490 HydrophobicContact CD1-CD1 3.69Å; F461-I490 HydrophobicContact CE1-CD1 3.51Å; F461-I490 HydrophobicContact CE2-CD1 4.46Å; F461-I490 HydrophobicContact CG-CD1 4.27Å; F461-I490 HydrophobicContact CZ-CD1 3.93Å; I478-I490 WeakPolarHBondContact CA-O 3.36Å; L479-I490 HydrophobicContact CB-CB 4.38Å; L479-I490 PolarHBondContact N-O 2.92Å; L479-I490 PolarHBondContact O-N 3.24Å; V481-I490 HydrophobicContact CG2-CD1 3.71Å; V481-I490 HydrophobicContact CG2-CG1 4.39Å; V488-I490 HydrophobicContact CG1-CG1 4Å; I490-L492 HydrophobicContact CG2-CD2 4.32Å; I490-L492 PolarHBondContact O-N 3.45Å; I490-A497 HydrophobicContact CG1-CB 4.19Å
491N82.3Confident70.7Confident32 Ų3268.1 Ų68.117%0.17133%0.331CS..EExtended strand (participates in β ladder)trans-82.2107.8173.7-171.6-50000109.1Q493 K494 I495 K496N491-Q493 VanDerWaalsContact C-N 3.35Å; N491-Q493 PolarHBondContact O-N 2.8Å; N491-Q493 PolarHBondContact OD1-N 2.93Å; N491-Q493 VanDerWaalsContact OD1-N 3.09Å; N491-K494 HydrophobicContact CB-CB 4.34Å; N491-K494 PolarHBondContact OD1-N 3.33Å; N491-I495 WeakPolarHBondContact O-CA 3.37Å; N491-I495 PolarHBondContact O-N 2.72Å; N491-K496 PolarHBondContact N-O 2.95Å; N491-K496 PolarHBondContact O-N 3.45Å
492L81.9Confident69.1Low10 Ų1072.3 Ų72.35%0.05236%0.357CS..THydrogen-bonded Turntrans-69.1-30.4-175.9-63175.4000112.7Y427 Q457 I459 F473 N477 L479 I490Y427-L492 HydrophobicContact CD1-CD1 4.12Å; Y427-L492 HydrophobicContact CD1-CD2 4.14Å; Y427-L492 HydrophobicContact CE1-CD1 3.44Å; Y427-L492 VanDerWaalsContact CE1-CD1 3.44Å; Y427-L492 HydrophobicContact CE1-CD2 3.88Å; Y427-L492 HydrophobicContact CE1-CG 4.28Å; Q457-L492 PolarHBondContact NE2-O 3.46Å; I459-L492 HydrophobicContact CD1-CD2 3.96Å; F473-L492 HydrophobicContact CE1-CD1 3.82Å; N477-L492 PolarHBondContact O-N 3.34Å; L479-L492 HydrophobicContact CB-CD1 4.43Å; L479-L492 HydrophobicContact CB-CD2 4.47Å; L479-L492 HydrophobicContact CB-CG 4.43Å; I490-L492 HydrophobicContact CG2-CD2 4.32Å; I490-L492 PolarHBondContact O-N 3.45Å
493Q78.9Confident68Low138 Ų13875.7 Ų75.765%0.64538%0.382SS*.THydrogen-bonded Turntrans-75-44.2177.7-78.4-178.2-2400112.4N477 N491 I495N477-Q493 HydrophobicContact CB-CG 3.92Å; N477-Q493 PolarHBondContact ND2-NE2 2.91Å; N477-Q493 PolarHBondContact ND2-OE1 3.39Å; N491-Q493 VanDerWaalsContact C-N 3.35Å; N491-Q493 PolarHBondContact O-N 2.8Å; N491-Q493 PolarHBondContact OD1-N 2.93Å; N491-Q493 VanDerWaalsContact OD1-N 3.09Å; Q493-I495 VanDerWaalsContact C-N 3.31Å
494K72.3Confident67.2Low149 Ų14976.9 Ų76.965%0.64839%0.389SS*.THydrogen-bonded Turntrans-84.8-7.6-177.7-66.6-177178.3178.70113N491 K496N491-K494 HydrophobicContact CB-CB 4.34Å; N491-K494 PolarHBondContact OD1-N 3.33Å; K494-K496 HydrophobicContact CB-CB 4.4Å; K494-K496 WeakPolarHBondContact O-CG 3.15Å; K494-K496 PolarHBondContact O-N 3.19Å
495I75.5Confident66.8Low98 Ų9876 Ų7650%0.50339%0.388SS..THydrogen-bonded Turntrans53.641.5-175.9-38.4-165.6000110.5I459 N491 Q493I459-I495 HydrophobicContact CD1-CG2 4.24Å; I459-I495 HydrophobicContact CG1-CG2 3.81Å; I459-I495 HydrophobicContact CG2-CG2 4.47Å; N491-I495 WeakPolarHBondContact O-CA 3.37Å; N491-I495 PolarHBondContact O-N 2.72Å; Q493-I495 VanDerWaalsContact C-N 3.31Å
496K70.9Confident66.4Low138 Ų13867.2 Ų67.260%0.636%0.356SS*.EExtended strand (participates in β ladder)trans-129.3129.4-176.9-77.4-177.7-177.3-1730110.3N491 K494N491-K496 PolarHBondContact N-O 2.95Å; N491-K496 PolarHBondContact O-N 3.45Å; K494-K496 HydrophobicContact CB-CB 4.4Å; K494-K496 WeakPolarHBondContact O-CG 3.15Å; K494-K496 PolarHBondContact O-N 3.19Å
497A67.1Low66Low37 Ų3765 Ų6531%0.30635%0.346SS..EExtended strand (participates in β ladder)trans-95.2123.5170.900000109.3F461 V488 I490F461-A497 HydrophobicContact CB-CB 3.58Å; F461-A497 HydrophobicContact CG-CB 4.37Å; V488-A497 HydrophobicContact CG1-CB 4.28Å; I490-A497 HydrophobicContact CG1-CB 4.19Å
498N65.6Low65.1Low104 Ų10465.7 Ų65.756%0.55635%0.351SS*.EExtended strand (participates in β ladder)trans-109.8130.5174.9-67.6-16.7000108.4E489 S500E489-N498 PolarHBondContact N-O 2.87Å; E489-N498 PolarHBondContact O-N 3.23Å; N498-S500 PolarHBondContact O-N 3.17Å
499K58.7Low63.5Low151 Ų15172.1 Ų72.166%0.65739%0.385SS*.EExtended strand (participates in β ladder)trans-72.6119.2172.4-166.9170.6-175.91720107.8
500S54.4Low61.9Low28 Ų2874.9 Ų74.920%0.19641%0.409CS..EExtended strand (participates in β ladder)trans-90.2140174.4-177.40000109.7S487 N498 T502S487-S500 PolarHBondContact O-N 3.3Å; N498-S500 PolarHBondContact O-N 3.17Å; S500-T502 PolarHBondContact OG-N 2.83Å; S500-T502 PolarHBondContact OG-OG1 2.62Å
501T44.2Very low60.5Low144 Ų14476.1 Ų76.188%0.88342%0.417SS*.SBendtrans-84.8-6.9176.829.90000113.3S503T501-S503 PolarHBondContact O-N 2.74Å
502T47.1Very low59Low89 Ų8979 Ų7955%0.54644%0.437SS..  trans-82.597.3174.744.50000110.7S487 S500 V504S487-T502 PolarHBondContact OG-O 3.24Å; S500-T502 PolarHBondContact OG-N 2.83Å; S500-T502 PolarHBondContact OG-OG1 2.62Å; T502-V504 PolarHBondContact O-N 2.92Å
503S50.5Low57.5Low80 Ų8079.3 Ų79.356%0.55944%0.439SS*.  trans-75.6105.2169.458.70000109.3T501 P505T501-S503 PolarHBondContact O-N 2.74Å; S503-P505 WeakPolarHBondContact O-CD 3.44Å
504V52.6Low56.3Low36 Ų3674.6 Ų74.622%0.21842%0.418CS..  trans-85.4114.3160.9-1780000105.9T502 L506 L553T502-V504 PolarHBondContact O-N 2.92Å; V504-L506 PolarHBondContact O-N 3.39Å; V504-L506 VanDerWaalsContact O-N 3.12Å; V504-L553 HydrophobicContact CG1-CD2 4.23Å
505P52.4Low55.7Low37 Ų3770.5 Ų70.524%0.2441%0.406CS..  trans-63.2118.2179.225.8-31.9000108.5S503 L507 W560S503-P505 WeakPolarHBondContact O-CD 3.44Å; P505-L507 PolarHBondContact O-N 3.2Å; P505-W560 PolarHBondContact O-NE1 2.81Å
506L52.6Low55.1Low22 Ų2267.6 Ų67.612%0.11539%0.394CS..SBendtrans-66.9-4.1-178.8-81.4-175.9000113.9L470 H482 S483 V504 W560L470-L506 HydrophobicContact CB-CD2 3.76Å; L470-L506 HydrophobicContact CD2-CD2 3.65Å; L470-L506 HydrophobicContact CG-CD2 4.39Å; H482-L506 HydrophobicContact CB-CD1 4.4Å; H482-L506 HydrophobicContact CB-CD2 3.62Å; H482-L506 HydrophobicContact CB-CG 4.15Å; H482-L506 WeakPolarHBondContact O-CD1 3.21Å; S483-L506 WeakPolarHBondContact O-CG 3.45Å; V504-L506 PolarHBondContact O-N 3.39Å; V504-L506 VanDerWaalsContact O-N 3.12Å; L506-W560 WeakPolarHBondContact O-CH2 3.45Å; L506-W560 WeakPolarHBondContact O-CZ2 3.26Å
507L59.2Low55.2Low11 Ų1162.4 Ų62.46%0.05837%0.371CS..SBendtrans-152159.2-178.8-69.5158000109.8P505 N509 L513 V529 W560P505-L507 PolarHBondContact O-N 3.2Å; L507-N509 PolarHBondContact O-N 3.45Å; L507-L513 HydrophobicContact CB-CD1 3.71Å; L507-L513 HydrophobicContact CD1-CB 3.28Å; L507-L513 HydrophobicContact CD1-CD1 3.1Å; L507-L513 HydrophobicContact CD1-CD2 4.22Å; L507-L513 HydrophobicContact CD1-CG 3.64Å; L507-L513 HydrophobicContact CD2-CD1 3.49Å; L507-L513 VanDerWaalsContact CD2-CD1 3.49Å; L507-L513 HydrophobicContact CD2-CD2 4.47Å; L507-L513 HydrophobicContact CD2-CG 4.5Å; L507-L513 HydrophobicContact CG-CD1 3.48Å; L507-L513 VanDerWaalsContact CG-CD1 3.48Å; L507-L513 HydrophobicContact CG-CG 4.46Å; L507-V529 HydrophobicContact CD2-CB 4.25Å; L507-V529 HydrophobicContact CD2-CG1 3.93Å; L507-V529 HydrophobicContact CD2-CG2 4.3Å; L507-W560 VanDerWaalsContact C-CE2 3.41Å; L507-W560 HydrophobicContact CD2-CH2 4.05Å; L507-W560 HydrophobicContact CD2-CZ3 4.47Å; L507-W560 PolarHBondContact O-NE1 3.21Å
508P56.7Low55.9Low20 Ų2060.8 Ų60.813%0.1336%0.358CS..  trans-58.4134.9173-1121.6000109.5S510 C511 Y551 W560P508-S510 PolarHBondContact O-N 2.95Å; P508-C511 PolarHBondContact O-N 3.06Å; P508-C511 VanDerWaalsContact O-N 3.11Å; P508-Y551 HydrophobicContact CG-CD1 3.66Å; P508-Y551 HydrophobicContact CG-CE1 3.84Å; P508-Y551 HydrophobicContact CG-CG 4.43Å; P508-W560 HydrophobicContact CB-CB 4.14Å; P508-W560 HydrophobicContact CB-CG 4.09Å; P508-W560 VanDerWaalsContact CD-CD2 3.5Å; P508-W560 HydrophobicContact CG-CB 3.78Å; P508-W560 HydrophobicContact CG-CD2 3.85Å; P508-W560 HydrophobicContact CG-CE3 4.18Å; P508-W560 HydrophobicContact CG-CG 3.66Å
509N46.9Very low56.7Low147 Ų14757.6 Ų57.679%0.78634%0.341SS*.THydrogen-bonded Turntrans-53.7-12.9-171.6-71.6-20.9000115.7L507L507-N509 PolarHBondContact O-N 3.45Å
510S48.9Very low57.9Low102 Ų10251.2 Ų51.271%0.71332%0.315SS*.THydrogen-bonded Turntrans-92.3-7.5-177.654.10000115.4P508P508-S510 PolarHBondContact O-N 2.95Å
511C51.5Low59.2Low26 Ų2652.6 Ų52.618%0.17632%0.324CS..  trans-108115.4-176.7-69.20000112.3P508 L513 Y551P508-C511 PolarHBondContact O-N 3.06Å; P508-C511 VanDerWaalsContact O-N 3.11Å; C511-L513 VanDerWaalsContact C-N 3.31Å; C511-L513 HydrophobicContact CB-CD1 3.36Å; C511-L513 HydrophobicContact CB-CG 4.17Å; C511-L513 PolarHBondContact O-N 2.98Å; C511-Y551 PolarHBondContact SG-OH 3.33Å
512P50.8Low61Low91 Ų9146.9 Ų46.959%0.59129%0.289SS*.  trans-76.784.1170.131.5-31.5000108.7T534P512-T534 WeakPolarHBondContact O-CG2 3.29Å
513L50.5Low62.5Low17 Ų1744.4 Ų44.49%0.08928%0.28CS..  trans-83.6126.5-180-81.4125.5000110.9L507 C511 H517L507-L513 HydrophobicContact CB-CD1 3.71Å; L507-L513 HydrophobicContact CD1-CB 3.28Å; L507-L513 HydrophobicContact CD1-CD1 3.1Å; L507-L513 HydrophobicContact CD1-CD2 4.22Å; L507-L513 HydrophobicContact CD1-CG 3.64Å; L507-L513 HydrophobicContact CD2-CD1 3.49Å; L507-L513 VanDerWaalsContact CD2-CD1 3.49Å; L507-L513 HydrophobicContact CD2-CD2 4.47Å; L507-L513 HydrophobicContact CD2-CG 4.5Å; L507-L513 HydrophobicContact CG-CD1 3.48Å; L507-L513 VanDerWaalsContact CG-CD1 3.48Å; L507-L513 HydrophobicContact CG-CG 4.46Å; C511-L513 VanDerWaalsContact C-N 3.31Å; C511-L513 HydrophobicContact CB-CD1 3.36Å; C511-L513 HydrophobicContact CB-CG 4.17Å; C511-L513 PolarHBondContact O-N 2.98Å; L513-H517 WeakPolarHBondContact CD2-CE1 3.43Å; L513-H517 WeakPolarHBondContact CD2-ND1 3.19Å; L513-H517 WeakPolarHBondContact CD2-NE2 3.38Å
514D52.9Low63.7Low40 Ų4046.5 Ų46.521%0.21429%0.285CS..  trans-105.3-179.3177.1-151.1-8.7000110.8H467 H517 V533 T535H467-D514 IonicContact CE1-OD1 3.68Å; D514-H517 PolarHBondContact O-CE1 2.94Å; D514-H517 PolarHBondContact O-NE2 3.38Å; D514-V533 CarbonylContact C-O 3.56Å; D514-V533 VanDerWaalsContact CA-O 3.29Å; D514-V533 WeakPolarHBondContact CA-O 3.15Å; D514-V533 WeakPolarHBondContact CB-O 3.16Å; D514-V533 PolarHBondContact N-O 3.17Å; D514-T535 WeakPolarHBondContact OD2-CB 3.45Å; D514-T535 WeakPolarHBondContact OD2-CG2 3.39Å; D514-T535 PolarHBondContact OD2-OG1 2.71Å
515V59.8Low64.8Low63 Ų6347.8 Ų47.838%0.38229%0.291SS..SBendtrans-42.2147.3-172.6-1600000115.2V533V515-V533 PolarHBondContact O-N 2.84Å
516S63.8Low66.2Low36 Ų3649.3 Ų49.325%0.25229%0.294SS..  trans89.336.2159.5-48.20000121.3D571 C572S516-D571 WeakPolarHBondContact CB-OD1 3.49Å; S516-C572 WeakPolarHBondContact CB-SG 3.36Å; S516-C572 PolarHBondContact O-N 3.46Å; S516-C572 PolarHBondContact OG-SG 2.84Å
517H73.8Confident67.7Low29 Ų2948.4 Ų48.413%0.13429%0.289CS..  trans-78.5153174.4-43.2-58.5000115L513 D514 I519 V529 G531 G532L513-H517 WeakPolarHBondContact CD2-CE1 3.43Å; L513-H517 WeakPolarHBondContact CD2-ND1 3.19Å; L513-H517 WeakPolarHBondContact CD2-NE2 3.38Å; D514-H517 PolarHBondContact O-CE1 2.94Å; D514-H517 PolarHBondContact O-NE2 3.38Å; H517-I519 HydrophobicContact CB-CD1 4.39Å; H517-I519 HydrophobicContact CB-CG1 3.95Å; H517-I519 PolarHBondContact O-N 3.06Å; H517-V529 HydrophobicContact CB-CG1 3.94Å; H517-G531 PolarHBondContact ND1-O 2.75Å; H517-G532 WeakPolarHBondContact ND1-CA 3.35Å
518A81.4Confident69Low3 Ų347.9 Ų47.93%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-72.9111.3157.300000109.2I283 V529 C530 P573 C575I283-A518 HydrophobicContact CD1-CB 4.31Å; A518-V529 WeakPolarHBondContact O-CA 2.94Å; A518-C530 HydrophobicContact CB-CB 4.48Å; A518-C530 PolarHBondContact N-O 2.87Å; A518-C530 PolarHBondContact O-N 3.06Å; A518-P573 HydrophobicContact CB-CG 3.9Å; A518-C575 HydrophobicContact CB-CB 3.48Å; A518-C575 VanDerWaalsContact CB-CB 3.48Å
519I81.5Confident70.5Confident37 Ų3747.1 Ų47.119%0.1928%0.282CS..EExtended strand (participates in β ladder)trans-120.5129.8177.2-56.3176.1000108.6L470 H517 V527 F528 V529L470-I519 HydrophobicContact CD1-CG2 3.88Å; H517-I519 HydrophobicContact CB-CD1 4.39Å; H517-I519 HydrophobicContact CB-CG1 3.95Å; H517-I519 PolarHBondContact O-N 3.06Å; I519-V527 HydrophobicContact CG2-CG1 3.97Å; I519-F528 WeakPolarHBondContact CA-O 3.49Å; I519-V529 HydrophobicContact CG1-CG1 4.27Å; I519-V529 HydrophobicContact CG1-CG2 4.36Å
520C83.8Confident72.4Confident18 Ų1840.4 Ų40.412%0.12225%0.246CC..EExtended strand (participates in β ladder)trans-142138.8176.7-162.70000111.3V281 F528 L577V281-C520 HydrophobicContact CG1-CB 4.42Å; C520-F528 PolarHBondContact N-O 3.33Å; C520-F528 PolarHBondContact O-N 2.73Å; C520-L577 PolarHBondContact SG-N 3.46Å
521S82.7Confident73.9Confident56 Ų5635.7 Ų35.739%0.39221%0.213SC..EExtended strand (participates in β ladder)trans-82.2129.1167.6-177.30000108.8
522I82.3Confident75.2Confident25 Ų2534.4 Ų34.413%0.12821%0.205CC..EExtended strand (participates in β ladder)trans-102.811.4-177.266.8160.2000112.9V281 I302 K526 F528 L552 L577V281-I522 HydrophobicContact CG2-CG2 3.68Å; I302-I522 HydrophobicContact CD1-CB 3.97Å; I302-I522 HydrophobicContact CD1-CD1 4.05Å; I302-I522 HydrophobicContact CD1-CG2 3.97Å; I302-I522 HydrophobicContact CG2-CD1 4.2Å; I522-K526 HydrophobicContact CD1-CB 3.68Å; I522-K526 HydrophobicContact CD1-CD 4.19Å; I522-K526 HydrophobicContact CG1-CB 3.43Å; I522-K526 VanDerWaalsContact CG1-CB 3.43Å; I522-K526 PolarHBondContact N-O 2.86Å; I522-F528 HydrophobicContact CG2-CB 3.85Å; I522-L552 HydrophobicContact CD1-CD1 3.38Å; I522-L552 HydrophobicContact CD1-CD2 4.38Å; I522-L552 HydrophobicContact CD1-CG 4.46Å; I522-L552 HydrophobicContact CG1-CD1 4.16Å; I522-L577 HydrophobicContact CB-CD1 4.29Å; I522-L577 HydrophobicContact CG2-CD1 4.17Å
523G77.4Confident76.3Confident36 Ų3630.9 Ų30.937%0.37118%0.181SC..EExtended strand (participates in β ladder)trans85.8173.4-171.800000113.2N525 K526G523-N525 PolarHBondContact O-N 2.6Å; G523-K526 WeakPolarHBondContact O-CB 3.44Å; G523-K526 PolarHBondContact O-N 2.97Å
524D75.7Confident77.2Confident124 Ų12431.1 Ų31.166%0.66318%0.184SC*.THydrogen-bonded Turntrans51.830.3178-66.2-26.2000116.3K526D524-K526 VanDerWaalsContact C-N 3.26Å; D524-K526 PolarHBondContact O-N 3.17Å
525N75.4Confident77.5Confident64 Ų6432.8 Ų32.834%0.34220%0.195SC..THydrogen-bonded Turntrans6034.1-173.4-55.3-26.2000113.1G523 Q555 K556G523-N525 PolarHBondContact O-N 2.6Å; N525-Q555 HydrophobicContact CB-CB 4.08Å; N525-Q555 WeakPolarHBondContact O-CB 3.36Å; N525-Q555 WeakPolarHBondContact O-CG 3.5Å; N525-Q555 PolarHBondContact O-N 3.26Å; N525-Q555 PolarHBondContact O-OE1 3.29Å; N525-K556 HydrophobicContact CB-CG 4.15Å
526K82.9Confident77.1Confident68 Ų6833.1 Ų33.130%0.29620%0.204SC..EExtended strand (participates in β ladder)trans-110.5148.2174.2-65.8177-177.3176.20111.6I522 G523 D524 L552 L553 D554I522-K526 HydrophobicContact CD1-CB 3.68Å; I522-K526 HydrophobicContact CD1-CD 4.19Å; I522-K526 HydrophobicContact CG1-CB 3.43Å; I522-K526 VanDerWaalsContact CG1-CB 3.43Å; I522-K526 PolarHBondContact N-O 2.86Å; G523-K526 WeakPolarHBondContact O-CB 3.44Å; G523-K526 PolarHBondContact O-N 2.97Å; D524-K526 VanDerWaalsContact C-N 3.26Å; D524-K526 PolarHBondContact O-N 3.17Å; K526-L552 HydrophobicContact CB-CD1 4.4Å; K526-L552 HydrophobicContact CD-CD2 4.44Å; K526-L553 CarbonylContact C-O 3.47Å; K526-L553 WeakPolarHBondContact CA-O 3.5Å; K526-D554 WeakPolarHBondContact CE-OD2 3.3Å
527V83.6Confident76.4Confident3 Ų336.9 Ų36.92%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-134.6127.1-172.8-173.40000109.3L470 I519 V529 L552 L553 Q555L470-V527 HydrophobicContact CD1-CB 4.33Å; L470-V527 HydrophobicContact CD1-CG1 3.49Å; L470-V527 VanDerWaalsContact CD1-CG1 3.49Å; L470-V527 HydrophobicContact CD1-CG2 3.89Å; L470-V527 HydrophobicContact CD2-CB 4.17Å; L470-V527 HydrophobicContact CD2-CG1 3.91Å; L470-V527 HydrophobicContact CD2-CG2 3.31Å; L470-V527 HydrophobicContact CG-CG1 4.29Å; L470-V527 HydrophobicContact CG-CG2 4.18Å; I519-V527 HydrophobicContact CG2-CG1 3.97Å; V527-V529 HydrophobicContact CG1-CG2 4.19Å; V527-L552 CarbonylContact O-C 3.59Å; V527-L552 WeakPolarHBondContact O-CA 3.45Å; V527-L552 WeakPolarHBondContact O-CD1 3.17Å; V527-L553 HydrophobicContact CB-CB 4.12Å; V527-L553 HydrophobicContact CG2-CD2 4.39Å; V527-L553 PolarHBondContact N-O 3.27Å; V527-L553 PolarHBondContact O-N 3Å; V527-Q555 HydrophobicContact CG2-CG 3.93Å
528F87.7Confident74.7Confident0 Ų041.5 Ų41.50%026%0.257CS..EExtended strand (participates in β ladder)trans-95.9135.4173178-86.7000110.1V281 I283 Y300 W307 I519 C520 I522 C530 A550 L552 L563V281-F528 HydrophobicContact CB-CD1 4.31Å; V281-F528 HydrophobicContact CB-CE1 4.4Å; V281-F528 HydrophobicContact CB-CG 4.35Å; V281-F528 HydrophobicContact CG1-CD1 3.62Å; V281-F528 HydrophobicContact CG1-CE1 3.73Å; V281-F528 HydrophobicContact CG1-CG 4.12Å; V281-F528 HydrophobicContact CG1-CZ 4.32Å; V281-F528 HydrophobicContact CG2-CB 4.11Å; V281-F528 HydrophobicContact CG2-CD1 4.32Å; V281-F528 HydrophobicContact CG2-CD2 4.19Å; V281-F528 HydrophobicContact CG2-CG 3.95Å; I283-F528 HydrophobicContact CD1-CE1 4.08Å; I283-F528 HydrophobicContact CD1-CZ 4.34Å; Y300-F528 HydrophobicContact CD1-CD2 4.1Å; Y300-F528 AromaticContact CD1-CE2 3.71Å; Y300-F528 HydrophobicContact CD1-CE2 3.71Å; Y300-F528 HydrophobicContact CE1-CD2 4.36Å; Y300-F528 HydrophobicContact CE1-CE2 4.16Å; Y300-F528 HydrophobicContact CG-CE2 4.07Å; W307-F528 AromaticContact CH2-CZ 3.8Å; W307-F528 HydrophobicContact CH2-CZ 3.8Å; W307-F528 HydrophobicContact CZ2-CE2 4.44Å; W307-F528 AromaticContact CZ2-CZ 3.97Å; W307-F528 HydrophobicContact CZ2-CZ 3.97Å; I519-F528 WeakPolarHBondContact CA-O 3.49Å; C520-F528 PolarHBondContact N-O 3.33Å; C520-F528 PolarHBondContact O-N 2.73Å; I522-F528 HydrophobicContact CG2-CB 3.85Å; F528-C530 HydrophobicContact CD1-CB 4.38Å; F528-C530 HydrophobicContact CE1-CB 3.36Å; F528-C530 HydrophobicContact CZ-CB 3.58Å; F528-A550 HydrophobicContact CE2-CB 4.07Å; F528-A550 HydrophobicContact CZ-CB 4.01Å; F528-L552 HydrophobicContact CB-CD1 4.46Å; F528-L563 HydrophobicContact CD2-CD1 3.63Å; F528-L563 HydrophobicContact CE2-CD1 3.56Å
529V86.1Confident73Confident5 Ų548.4 Ų48.43%0.0330%0.298CS..EExtended strand (participates in β ladder)trans-133.5132.7174.1-172.60000110.1L507 H517 A518 I519 V527 A550 Y551 W560L507-V529 HydrophobicContact CD2-CB 4.25Å; L507-V529 HydrophobicContact CD2-CG1 3.93Å; L507-V529 HydrophobicContact CD2-CG2 4.3Å; H517-V529 HydrophobicContact CB-CG1 3.94Å; A518-V529 WeakPolarHBondContact O-CA 2.94Å; I519-V529 HydrophobicContact CG1-CG1 4.27Å; I519-V529 HydrophobicContact CG1-CG2 4.36Å; V527-V529 HydrophobicContact CG1-CG2 4.19Å; V529-A550 WeakPolarHBondContact O-CA 2.95Å; V529-Y551 PolarHBondContact N-O 3.48Å; V529-Y551 PolarHBondContact O-N 2.76Å; V529-W560 HydrophobicContact CG2-CH2 3.99Å; V529-W560 HydrophobicContact CG2-CZ3 4.33Å
530C86.9Confident71.1Confident6 Ų655.7 Ų55.74%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-147.1146.4178.2-175.80000112.3I283 A518 F528 A550I283-C530 HydrophobicContact CD1-CB 3.64Å; I283-C530 WeakPolarHBondContact CD1-SG 3.39Å; A518-C530 HydrophobicContact CB-CB 4.48Å; A518-C530 PolarHBondContact N-O 2.87Å; A518-C530 PolarHBondContact O-N 3.06Å; F528-C530 HydrophobicContact CD1-CB 4.38Å; F528-C530 HydrophobicContact CE1-CB 3.36Å; F528-C530 HydrophobicContact CZ-CB 3.58Å; C530-A550 HydrophobicContact CB-CB 4.14Å
531G82.1Confident69.1Low2 Ų259.3 Ų59.32%0.02135%0.353CS..  trans70.4-154.7172.300000114.2H517 L570H517-G531 PolarHBondContact ND1-O 2.75Å; G531-L570 WeakPolarHBondContact CA-O 3.11Å
532G77.3Confident67.6Low0 Ų066.3 Ų66.30%038%0.377CS..  trans80.1175.5-176.200000113.9H517 I546 N547 L570H517-G532 WeakPolarHBondContact ND1-CA 3.35Å; G532-I546 WeakPolarHBondContact O-CA 3.44Å; G532-N547 PolarHBondContact O-N 3.3Å; G532-L570 PolarHBondContact N-O 2.99Å
533V75.4Confident66.4Low16 Ų1671 Ų7110%0.09740%0.402CS..EExtended strand (participates in β ladder)trans-95.9146.2-168.4179.30000111D514 V515 Y544 T545 D571D514-V533 CarbonylContact C-O 3.56Å; D514-V533 VanDerWaalsContact CA-O 3.29Å; D514-V533 WeakPolarHBondContact CA-O 3.15Å; D514-V533 WeakPolarHBondContact CB-O 3.16Å; D514-V533 PolarHBondContact N-O 3.17Å; V515-V533 PolarHBondContact O-N 2.84Å; V533-Y544 HydrophobicContact CG1-CD2 3.82Å; V533-Y544 HydrophobicContact CG1-CG 4.07Å; V533-Y544 HydrophobicContact CG2-CD2 4.02Å; V533-Y544 HydrophobicContact CG2-CE2 4.5Å; V533-T545 CarbonylContact C-O 3.45Å; V533-T545 WeakPolarHBondContact CA-O 3.18Å; V533-D571 HydrophobicContact CG2-CB 3.95Å; V533-D571 VanDerWaalsContact CG2-CG 3.43Å
534T68.5Low66Low23 Ų2373.9 Ų73.914%0.14140%0.402CS..EExtended strand (participates in β ladder)trans-116.8121.7166.744.80000108.3P512 T545P512-T534 WeakPolarHBondContact O-CG2 3.29Å; T534-T545 PolarHBondContact N-O 3.17Å; T534-T545 PolarHBondContact O-N 2.92Å; T534-T545 PolarHBondContact O-OG1 3.02Å; T534-T545 PolarHBondContact OG1-O 3.41Å; T534-T545 PolarHBondContact OG1-OG1 2.87Å
535T58.9Low66Low75 Ų7572.1 Ų72.146%0.4640%0.396SS..EExtended strand (participates in β ladder)trans-85.8130.517437.90000110D514D514-T535 WeakPolarHBondContact OD2-CB 3.45Å; D514-T535 WeakPolarHBondContact OD2-CG2 3.39Å; D514-T535 PolarHBondContact OD2-OG1 2.71Å
536A52.7Low66.3Low69 Ų6970.1 Ų70.157%0.5739%0.385SS*.  trans-66143.3168.200000109.3D538A536-D538 PolarHBondContact O-N 2.75Å
537S48.6Very low66.3Low116 Ų11667.4 Ų67.481%0.81137%0.374SS*.SBendtrans-67-0.3-173.944.50000115.6
538D38.2Very low66.4Low126 Ų12670.6 Ų70.667%0.67440%0.395SS*.  trans-112115.3-176.7-75.4-33000112.8A536 Q540A536-D538 PolarHBondContact O-N 2.75Å; D538-Q540 PolarHBondContact O-N 3.01Å
539V45.6Very low66.3Low148 Ų14872.9 Ų72.990%0.89741%0.407SS*.THydrogen-bonded Turntrans-69.415-167.8178.30000114.6
540Q41.4Very low66.5Low189 Ų18972.7 Ų72.788%0.88341%0.406SS*.THydrogen-bonded Turntrans-116.9-5.8-172.9-72.5-170.3-10.600116.5D538D538-Q540 PolarHBondContact O-N 3.01Å
541T42.3Very low66.5Low94 Ų9472.8 Ų72.858%0.57741%0.405SS*.  trans-129.8133.417152.60000110.4D543T541-D543 PolarHBondContact O-N 3.17Å
542K50.2Low66.7Low204 Ų20473.9 Ų73.989%0.88741%0.411SS*.  trans-75.836175.5-76.2-178.2174.81760111.7Y544K542-Y544 PolarHBondContact O-N 3.42Å
543D58.3Low66.9Low123 Ų12374 Ų7466%0.65841%0.411SS*.  trans-89.1100.7179.8-72.4-21.8000108.5T541T541-D543 PolarHBondContact O-N 3.17Å
544Y67.8Low67.2Low96 Ų9674.8 Ų74.838%0.37642%0.415SS..EExtended strand (participates in β ladder)trans-100.9136.8174.469.8-89.4000109.4V533 K542 I546V533-Y544 HydrophobicContact CG1-CD2 3.82Å; V533-Y544 HydrophobicContact CG1-CG 4.07Å; V533-Y544 HydrophobicContact CG2-CD2 4.02Å; V533-Y544 HydrophobicContact CG2-CE2 4.5Å; K542-Y544 PolarHBondContact O-N 3.42Å; Y544-I546 HydrophobicContact CD2-CG1 4.48Å; Y544-I546 HydrophobicContact CE2-CG1 4.35Å
545T76.9Confident67.4Low88 Ų8875.3 Ų75.354%0.5442%0.415SS..EExtended strand (participates in β ladder)trans-105.7145.1175.649.40000109.6V533 T534V533-T545 CarbonylContact C-O 3.45Å; V533-T545 WeakPolarHBondContact CA-O 3.18Å; T534-T545 PolarHBondContact N-O 3.17Å; T534-T545 PolarHBondContact O-N 2.92Å; T534-T545 PolarHBondContact O-OG1 3.02Å; T534-T545 PolarHBondContact OG1-O 3.41Å; T534-T545 PolarHBondContact OG1-OG1 2.87Å
546I82.1Confident68.1Low22 Ų2278.4 Ų78.411%0.11342%0.423CS..EExtended strand (participates in β ladder)trans-97.8130.2177-54.7179.5000108K288 G532 Y544 P548 A569 L570 D571K288-I546 VanDerWaalsContact C-CD1 3.45Å; G532-I546 WeakPolarHBondContact O-CA 3.44Å; Y544-I546 HydrophobicContact CD2-CG1 4.48Å; Y544-I546 HydrophobicContact CE2-CG1 4.35Å; I546-P548 WeakPolarHBondContact O-CD 3.06Å; I546-A569 HydrophobicContact CB-CB 4.14Å; I546-A569 HydrophobicContact CG2-CB 3.85Å; I546-L570 VanDerWaalsContact CG2-C 3.49Å; I546-D571 HydrophobicContact CD1-CB 4.08Å; I546-D571 HydrophobicContact CG1-CB 4.44Å
547N82.9Confident69.3Low10 Ų1080.5 Ų80.55%0.05342%0.423CS..  trans-64.9120.7-179.1-172.6-7.5000110.7G532 N549 Y551G532-N547 PolarHBondContact O-N 3.3Å; N547-N549 VanDerWaalsContact C-N 3.31Å; N547-N549 WeakPolarHBondContact OD1-CB 3.34Å; N547-N549 PolarHBondContact OD1-N 3.12Å; N547-Y551 WeakPolarHBondContact ND2-CE2 3.46Å
548P83.9Confident70.5Confident71 Ų7176.4 Ų76.446%0.46140%0.399SS..  trans-87.43.2-178.936.9-37.2000113.3I546 P566 A569I546-P548 WeakPolarHBondContact O-CD 3.06Å; P548-P566 WeakPolarHBondContact O-CD 3.48Å; P548-P566 WeakPolarHBondContact O-CG 3.36Å; P548-A569 HydrophobicContact CB-CB 4.22Å
549N86.8Confident72.4Confident48 Ų4876.5 Ų76.526%0.25740%0.395SS..  trans-109.3156.5-172.4-64.6-44.6000112.9N547 Y551N547-N549 VanDerWaalsContact C-N 3.31Å; N547-N549 WeakPolarHBondContact OD1-CB 3.34Å; N547-N549 PolarHBondContact OD1-N 3.12Å; N549-Y551 HydrophobicContact CB-CD2 4.47Å; N549-Y551 HydrophobicContact CB-CE1 4.34Å; N549-Y551 HydrophobicContact CB-CE2 3.58Å; N549-Y551 WeakPolarHBondContact CB-OH 2.71Å; N549-Y551 PolarHBondContact ND2-OH 3.06Å
550A88.8Confident74.1Confident0 Ų071.8 Ų71.80%036%0.362CS..EExtended strand (participates in β ladder)trans-117.6145.4169.800000110.3W307 F528 V529 C530 L563W307-A550 HydrophobicContact CZ2-CB 3.93Å; F528-A550 HydrophobicContact CE2-CB 4.07Å; F528-A550 HydrophobicContact CZ-CB 4.01Å; V529-A550 WeakPolarHBondContact O-CA 2.95Å; C530-A550 HydrophobicContact CB-CB 4.14Å; A550-L563 HydrophobicContact CB-CB 4.16Å; A550-L563 HydrophobicContact CB-CD1 4.33Å; A550-L563 PolarHBondContact O-N 3.38Å
551Y86.9Confident76.2Confident9 Ų968.9 Ų68.94%0.03535%0.346CS..EExtended strand (participates in β ladder)trans-136149-172.1-54.8-90.9000111.1P508 C511 V529 N547 N549 W560 K561 I562P508-Y551 HydrophobicContact CG-CD1 3.66Å; P508-Y551 HydrophobicContact CG-CE1 3.84Å; P508-Y551 HydrophobicContact CG-CG 4.43Å; C511-Y551 PolarHBondContact SG-OH 3.33Å; V529-Y551 PolarHBondContact N-O 3.48Å; V529-Y551 PolarHBondContact O-N 2.76Å; N547-Y551 WeakPolarHBondContact ND2-CE2 3.46Å; N549-Y551 HydrophobicContact CB-CD2 4.47Å; N549-Y551 HydrophobicContact CB-CE1 4.34Å; N549-Y551 HydrophobicContact CB-CE2 3.58Å; N549-Y551 WeakPolarHBondContact CB-OH 2.71Å; N549-Y551 PolarHBondContact ND2-OH 3.06Å; Y551-W560 VanDerWaalsContact CB-CZ3 3.47Å; Y551-W560 HydrophobicContact CG-CE3 4.45Å; Y551-K561 WeakPolarHBondContact CA-O 3.36Å; Y551-I562 HydrophobicContact CD1-CG1 4.1Å; Y551-I562 HydrophobicContact CE1-CG1 4.03Å
552L87.1Confident78.4Confident25 Ų2569.9 Ų69.913%0.13135%0.347CS..EExtended strand (participates in β ladder)trans-123.3124.5172.1-169.273.1000110.6I522 K526 V527 F528 W560 K561 L563I522-L552 HydrophobicContact CD1-CD1 3.38Å; I522-L552 HydrophobicContact CD1-CD2 4.38Å; I522-L552 HydrophobicContact CD1-CG 4.46Å; I522-L552 HydrophobicContact CG1-CD1 4.16Å; K526-L552 HydrophobicContact CB-CD1 4.4Å; K526-L552 HydrophobicContact CD-CD2 4.44Å; V527-L552 CarbonylContact O-C 3.59Å; V527-L552 WeakPolarHBondContact O-CA 3.45Å; V527-L552 WeakPolarHBondContact O-CD1 3.17Å; F528-L552 HydrophobicContact CB-CD1 4.46Å; L552-W560 WeakPolarHBondContact O-CA 3.36Å; L552-K561 HydrophobicContact CB-CB 4.48Å; L552-K561 PolarHBondContact N-O 2.89Å; L552-K561 PolarHBondContact O-N 3.44Å; L552-L563 HydrophobicContact CB-CD1 4.04Å; L552-L563 HydrophobicContact CB-CD2 3.82Å; L552-L563 HydrophobicContact CB-CG 4.12Å
553L82.4Confident80.4Confident1 Ų160.6 Ų60.61%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-93.6130.3168.3179.559.6000109.7V504 K526 V527 Q555 W560V504-L553 HydrophobicContact CG1-CD2 4.23Å; K526-L553 CarbonylContact C-O 3.47Å; K526-L553 WeakPolarHBondContact CA-O 3.5Å; V527-L553 HydrophobicContact CB-CB 4.12Å; V527-L553 HydrophobicContact CG2-CD2 4.39Å; V527-L553 PolarHBondContact N-O 3.27Å; V527-L553 PolarHBondContact O-N 3Å; L553-Q555 HydrophobicContact CD2-CG 3.75Å; L553-Q555 HydrophobicContact CG-CG 4.02Å; L553-W560 HydrophobicContact CB-CD2 4.23Å; L553-W560 HydrophobicContact CB-CE3 4.11Å; L553-W560 HydrophobicContact CB-CH2 3.51Å; L553-W560 HydrophobicContact CB-CZ2 3.46Å; L553-W560 VanDerWaalsContact CB-CZ2 3.46Å; L553-W560 HydrophobicContact CB-CZ3 3.83Å; L553-W560 HydrophobicContact CD1-CD2 4.26Å; L553-W560 HydrophobicContact CD1-CG 4.49Å; L553-W560 HydrophobicContact CD1-CZ2 3.84Å; L553-W560 HydrophobicContact CD2-CH2 4.39Å; L553-W560 HydrophobicContact CD2-CZ2 3.76Å; L553-W560 HydrophobicContact CG-CH2 4.39Å; L553-W560 HydrophobicContact CG-CZ2 3.86Å
554D81.1Confident81.9Confident34 Ų3456.1 Ų56.118%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-93.6108.4157.1-166.6-47.5000108.8K526 K556 I557 G558 E559K526-D554 WeakPolarHBondContact CE-OD2 3.3Å; D554-K556 PolarHBondContact O-N 2.99Å; D554-K556 VanDerWaalsContact OD1-CB 3.31Å; D554-K556 WeakPolarHBondContact OD1-CB 3.29Å; D554-K556 PolarHBondContact OD1-N 2.92Å; D554-I557 PolarHBondContact O-N 2.95Å; D554-I557 PolarHBondContact OD1-N 3.22Å; D554-G558 VanDerWaalsContact O-CA 3.29Å; D554-G558 WeakPolarHBondContact O-CA 3.34Å; D554-G558 PolarHBondContact O-N 2.99Å; D554-E559 PolarHBondContact N-O 3.2Å; D554-E559 PolarHBondContact O-N 2.93Å
555Q72.3Confident82.9Confident33 Ų3355.4 Ų55.415%0.15430%0.296CS..THydrogen-bonded Turntrans-73.5-14.6-177-56.8176.9-56.700113L470 N525 V527 L553L470-Q555 VanDerWaalsContact CD2-NE2 3.25Å; N525-Q555 HydrophobicContact CB-CB 4.08Å; N525-Q555 WeakPolarHBondContact O-CB 3.36Å; N525-Q555 WeakPolarHBondContact O-CG 3.5Å; N525-Q555 PolarHBondContact O-N 3.26Å; N525-Q555 PolarHBondContact O-OE1 3.29Å; V527-Q555 HydrophobicContact CG2-CG 3.93Å; L553-Q555 HydrophobicContact CD2-CG 3.75Å; L553-Q555 HydrophobicContact CG-CG 4.02Å
556K75Confident83.5Confident141 Ų14152 Ų5261%0.61328%0.275SS*.THydrogen-bonded Turntrans-74.4-41177-63.8177.6-179.6172.10110.6N525 D554N525-K556 HydrophobicContact CB-CG 4.15Å; D554-K556 PolarHBondContact O-N 2.99Å; D554-K556 VanDerWaalsContact OD1-CB 3.31Å; D554-K556 WeakPolarHBondContact OD1-CB 3.29Å; D554-K556 PolarHBondContact OD1-N 2.92Å
557I76.9Confident83.9Confident112 Ų11254.4 Ų54.457%0.57429%0.292SS*.THydrogen-bonded Turntrans-95.2-23.8-177.8-51.2167.7000110.6D554 E559D554-I557 PolarHBondContact O-N 2.95Å; D554-I557 PolarHBondContact OD1-N 3.22Å; I557-E559 VanDerWaalsContact C-N 3.32Å; I557-E559 HydrophobicContact CG2-CB 4.25Å; I557-E559 HydrophobicContact CG2-CG 3.76Å
558G72.7Confident84.3Confident30 Ų3056.6 Ų56.631%0.30930%0.302SS..THydrogen-bonded Turntrans78.516.7-176.100000113.3D554D554-G558 VanDerWaalsContact O-CA 3.29Å; D554-G558 WeakPolarHBondContact O-CA 3.34Å; D554-G558 PolarHBondContact O-N 2.99Å
559E79.6Confident84.5Confident128 Ų12854.8 Ų54.860%0.59829%0.293SS*.EExtended strand (participates in β ladder)trans-101.1143.8-173.4-78.5-178.8179.900112.8D554 I557D554-E559 PolarHBondContact N-O 3.2Å; D554-E559 PolarHBondContact O-N 2.93Å; I557-E559 VanDerWaalsContact C-N 3.32Å; I557-E559 HydrophobicContact CG2-CB 4.25Å; I557-E559 HydrophobicContact CG2-CG 3.76Å
560W81.1Confident84.6Confident50 Ų5052.8 Ų52.819%0.18928%0.283CS..EExtended strand (participates in β ladder)trans-100.9131176.5-77.894.4000111.7P505 L506 L507 P508 V529 Y551 L552 L553P505-W560 PolarHBondContact O-NE1 2.81Å; L506-W560 WeakPolarHBondContact O-CH2 3.45Å; L506-W560 WeakPolarHBondContact O-CZ2 3.26Å; L507-W560 VanDerWaalsContact C-CE2 3.41Å; L507-W560 HydrophobicContact CD2-CH2 4.05Å; L507-W560 HydrophobicContact CD2-CZ3 4.47Å; L507-W560 PolarHBondContact O-NE1 3.21Å; P508-W560 HydrophobicContact CB-CB 4.14Å; P508-W560 HydrophobicContact CB-CG 4.09Å; P508-W560 VanDerWaalsContact CD-CD2 3.5Å; P508-W560 HydrophobicContact CG-CB 3.78Å; P508-W560 HydrophobicContact CG-CD2 3.85Å; P508-W560 HydrophobicContact CG-CE3 4.18Å; P508-W560 HydrophobicContact CG-CG 3.66Å; V529-W560 HydrophobicContact CG2-CH2 3.99Å; V529-W560 HydrophobicContact CG2-CZ3 4.33Å; Y551-W560 VanDerWaalsContact CB-CZ3 3.47Å; Y551-W560 HydrophobicContact CG-CE3 4.45Å; L552-W560 WeakPolarHBondContact O-CA 3.36Å; L553-W560 HydrophobicContact CB-CD2 4.23Å; L553-W560 HydrophobicContact CB-CE3 4.11Å; L553-W560 HydrophobicContact CB-CH2 3.51Å; L553-W560 HydrophobicContact CB-CZ2 3.46Å; L553-W560 VanDerWaalsContact CB-CZ2 3.46Å; L553-W560 HydrophobicContact CB-CZ3 3.83Å; L553-W560 HydrophobicContact CD1-CD2 4.26Å; L553-W560 HydrophobicContact CD1-CG 4.49Å; L553-W560 HydrophobicContact CD1-CZ2 3.84Å; L553-W560 HydrophobicContact CD2-CH2 4.39Å; L553-W560 HydrophobicContact CD2-CZ2 3.76Å; L553-W560 HydrophobicContact CG-CH2 4.39Å; L553-W560 HydrophobicContact CG-CZ2 3.86Å
561K86.1Confident84.6Confident128 Ų12853.6 Ų53.656%0.55729%0.287SS*.EExtended strand (participates in β ladder)trans-111.4128.1170-172.3178.4179.3-1770109.8Y551 L552 L563Y551-K561 WeakPolarHBondContact CA-O 3.36Å; L552-K561 HydrophobicContact CB-CB 4.48Å; L552-K561 PolarHBondContact N-O 2.89Å; L552-K561 PolarHBondContact O-N 3.44Å; K561-L563 HydrophobicContact CD-CD2 4.5Å; K561-L563 HydrophobicContact CG-CD2 4.44Å
562I87.9Confident84.7Confident114 Ų11454.1 Ų54.159%0.58529%0.292SS*.EExtended strand (participates in β ladder)trans-75.5130.4168.7-58.7177.4000107.9Y551Y551-I562 HydrophobicContact CD1-CG1 4.1Å; Y551-I562 HydrophobicContact CE1-CG1 4.03Å
563L91.2Very high84.9Confident10 Ų1053.5 Ų53.55%0.05229%0.289CS..  trans-97.1174.9-179.9-56.2179.8000110.7Y300 N305 F528 A550 L552 K561 S565Y300-L563 HydrophobicContact CD1-CD1 4.48Å; Y300-L563 HydrophobicContact CE1-CD1 3.73Å; Y300-L563 HydrophobicContact CE2-CB 4.23Å; Y300-L563 HydrophobicContact CE2-CD1 4.35Å; Y300-L563 WeakPolarHBondContact OH-CD2 3.26Å; N305-L563 WeakPolarHBondContact OD1-CA 3.43Å; F528-L563 HydrophobicContact CD2-CD1 3.63Å; F528-L563 HydrophobicContact CE2-CD1 3.56Å; A550-L563 HydrophobicContact CB-CB 4.16Å; A550-L563 HydrophobicContact CB-CD1 4.33Å; A550-L563 PolarHBondContact O-N 3.38Å; L552-L563 HydrophobicContact CB-CD1 4.04Å; L552-L563 HydrophobicContact CB-CD2 3.82Å; L552-L563 HydrophobicContact CB-CG 4.12Å; K561-L563 HydrophobicContact CD-CD2 4.5Å; K561-L563 HydrophobicContact CG-CD2 4.44Å; L563-S565 PolarHBondContact O-N 2.75Å
564A89.6Confident85.4Confident29 Ų2953.7 Ų53.724%0.2429%0.291CS..PPolyproline II helixtrans-54.4139.4168.800000110.6N305 W307N305-A564 WeakPolarHBondContact O-CB 3.31Å; N305-A564 PolarHBondContact OD1-N 3.39Å; W307-A564 PolarHBondContact NE1-O 3.15Å
565S88.9Confident86Confident81 Ų8153.2 Ų53.257%0.56629%0.29SS*.PPolyproline II helixtrans-64.6131.3-177.6-59.70000110.7W307 L563W307-S565 VanDerWaalsContact CD1-O 3.23Å; W307-S565 PolarHBondContact NE1-O 3.47Å; L563-S565 PolarHBondContact O-N 2.75Å
566P90.8Very high87Confident16 Ų1652 Ų5210%0.10429%0.285CS..PPolyproline II helixtrans-57.5149.1172.224.8-36.6000111.3W307 P548 E568W307-P566 HydrophobicContact CD2-CB 4.49Å; W307-P566 HydrophobicContact CH2-CB 4.18Å; W307-P566 HydrophobicContact CZ2-CB 3.79Å; P548-P566 WeakPolarHBondContact O-CD 3.48Å; P548-P566 WeakPolarHBondContact O-CG 3.36Å; P566-E568 PolarHBondContact O-N 3.02Å
567P90.8Very high87.9Confident73 Ų7348 Ų4847%0.47427%0.27SS..SBendtrans-60.1-28.4177.7-2636.1000113.5F298 W307F298-P567 HydrophobicContact CD1-CB 4.03Å; F298-P567 HydrophobicContact CD1-CG 3.71Å; F298-P567 HydrophobicContact CE1-CB 3.78Å; F298-P567 HydrophobicContact CE1-CG 3.98Å; F298-P567 HydrophobicContact CG-CG 4.33Å; F298-P567 HydrophobicContact CZ-CB 4.3Å; W307-P567 HydrophobicContact CB-CG 3.92Å; W307-P567 HydrophobicContact CG-CG 4.36Å
568E90.3Very high88.8Confident55 Ų5542.8 Ų42.826%0.25724%0.243SC..SBendtrans-140.3141.9-179-59.8-171.7161.300111.2K288 N294 F298 P566 L570K288-E568 VanDerWaalsContact CE-CD 3.48Å; K288-E568 WeakPolarHBondContact CE-OE2 3.46Å; K288-E568 IonicContact NZ-OE1 2.97Å; K288-E568 PolarHBondContact NZ-OE1 3.32Å; K288-E568 IonicContact NZ-OE2 2.98Å; K288-E568 PolarHBondContact NZ-OE2 2.95Å; N294-E568 PolarHBondContact ND2-OE2 3.38Å; F298-E568 HydrophobicContact CE2-CB 4.31Å; F298-E568 HydrophobicContact CE2-CG 4.13Å; F298-E568 HydrophobicContact CZ-CB 4.5Å; F298-E568 HydrophobicContact CZ-CG 3.85Å; P566-E568 PolarHBondContact O-N 3.02Å; E568-L570 HydrophobicContact CB-CD1 4.49Å; E568-L570 HydrophobicContact CB-CD2 4.24Å; E568-L570 HydrophobicContact CB-CG 4.18Å
569A88.6Confident89.7Confident33 Ų3345.3 Ų45.327%0.27325%0.246SC..  trans-83119.7170.200000109.5I546 P548I546-A569 HydrophobicContact CB-CB 4.14Å; I546-A569 HydrophobicContact CG2-CB 3.85Å; P548-A569 HydrophobicContact CB-CB 4.22Å
570L89.4Confident90.3Very high7 Ų739.3 Ų39.34%0.03722%0.218CC..  trans-127.3134.1-170.6-61.2167.2000112.3I283 G285 Q287 K288 N294 F298 G531 G532 I546 E568 P573I283-L570 HydrophobicContact CG2-CD1 4.08Å; G285-L570 WeakPolarHBondContact O-CD1 3.29Å; Q287-L570 WeakPolarHBondContact O-CA 3.38Å; K288-L570 HydrophobicContact CG-CD2 4.24Å; N294-L570 HydrophobicContact CB-CD2 4.09Å; N294-L570 VanDerWaalsContact ND2-CD2 3.32Å; N294-L570 WeakPolarHBondContact ND2-CD2 3.14Å; F298-L570 HydrophobicContact CD2-CD1 4.35Å; F298-L570 HydrophobicContact CE2-CD1 4.35Å; G531-L570 WeakPolarHBondContact CA-O 3.11Å; G532-L570 PolarHBondContact N-O 2.99Å; I546-L570 VanDerWaalsContact CG2-C 3.49Å; E568-L570 HydrophobicContact CB-CD1 4.49Å; E568-L570 HydrophobicContact CB-CD2 4.24Å; E568-L570 HydrophobicContact CB-CG 4.18Å; L570-P573 HydrophobicContact CB-CB 4.2Å; L570-P573 HydrophobicContact CB-CG 4.16Å
571D88.7Confident90.9Very high17 Ų1737 Ų379%0.09121%0.21CC..BIsolated β-bridgetrans-97.3142.5167.8179.232000111.3G286 Q287 S516 V533 I546 P573G286-D571 CarbonylContact C-O 3.59Å; G286-D571 WeakPolarHBondContact CA-O 3.47Å; Q287-D571 PolarHBondContact N-O 3.39Å; Q287-D571 PolarHBondContact O-N 3.19Å; S516-D571 WeakPolarHBondContact CB-OD1 3.49Å; V533-D571 HydrophobicContact CG2-CB 3.95Å; V533-D571 VanDerWaalsContact CG2-CG 3.43Å; I546-D571 HydrophobicContact CD1-CB 4.08Å; I546-D571 HydrophobicContact CG1-CB 4.44Å; D571-P573 VanDerWaalsContact C-N 3.33Å
572C87.6Confident91Very high20 Ų2031.1 Ų31.114%0.13518%0.184CC..SBendtrans48.839.2-177.7-61.30000115.6A318 A319 S516A318-C572 HydrophobicContact CB-CB 4.21Å; A319-C572 PolarHBondContact N-O 3.07Å; S516-C572 WeakPolarHBondContact CB-SG 3.36Å; S516-C572 PolarHBondContact O-N 3.46Å; S516-C572 PolarHBondContact OG-SG 2.84Å
573P92.1Very high91Very high12 Ų1226.7 Ų26.78%0.07816%0.161CC..  trans-73151.3174.733.7-35.7000110.9I283 A518 L570 D571I283-P573 HydrophobicContact CG2-CB 3.52Å; I283-P573 HydrophobicContact CG2-CG 4.01Å; A518-P573 HydrophobicContact CB-CG 3.9Å; L570-P573 HydrophobicContact CB-CB 4.2Å; L570-P573 HydrophobicContact CB-CG 4.16Å; D571-P573 VanDerWaalsContact C-N 3.33Å
574A93.1Very high90.5Very high4 Ų426.9 Ų26.93%0.03316%0.162CC..EExtended strand (participates in β ladder)trans-75.7152.5164.500000110.3I283 L284 L320 A322I283-A574 WeakPolarHBondContact CA-O 3.14Å; L284-A574 HydrophobicContact CB-CB 4.38Å; L284-A574 HydrophobicContact CD1-CB 4.49Å; L284-A574 PolarHBondContact N-O 3.32Å; L284-A574 PolarHBondContact O-N 3.41Å; L320-A574 HydrophobicContact CD1-CB 3.49Å; L320-A574 VanDerWaalsContact CD1-CB 3.49Å; L320-A574 HydrophobicContact CG-CB 3.71Å; A322-A574 HydrophobicContact CB-CB 3.84Å
575C92.5Very high89.8Confident24 Ų2427.5 Ų27.516%0.16216%0.161CC..EExtended strand (participates in β ladder)trans-146137.8-178.3-1770000111.1V281 V282 A518V281-C575 WeakPolarHBondContact CG1-SG 3.41Å; V282-C575 VanDerWaalsContact O-CA 3.31Å; V282-C575 WeakPolarHBondContact O-CA 3.4Å; A518-C575 HydrophobicContact CB-CB 3.48Å; A518-C575 VanDerWaalsContact CB-CB 3.48Å
576C94.6Very high88.6Confident8 Ų828.4 Ų28.45%0.05416%0.156CC..EExtended strand (participates in β ladder)trans-148.8150.8170.961.90000112V282 A322V282-C576 PolarHBondContact N-O 2.93Å; V282-C576 PolarHBondContact O-N 3.11Å; V282-C576 VanDerWaalsContact O-N 3.07Å; A322-C576 HydrophobicContact CB-CB 4.34Å
577L94.3Very high87Confident56 Ų5634.4 Ų34.429%0.29318%0.177SC..EExtended strand (participates in β ladder)trans-79.1129.6166.4-176.871.6000108.6V281 I302 A324 C520 I522V281-L577 HydrophobicContact CG2-CD1 4.35Å; I302-L577 HydrophobicContact CD1-CD1 4.16Å; A324-L577 VanDerWaalsContact CB-O 3.23Å; A324-L577 WeakPolarHBondContact CB-O 3.48Å; C520-L577 PolarHBondContact SG-N 3.46Å; I522-L577 HydrophobicContact CB-CD1 4.29Å; I522-L577 HydrophobicContact CG2-CD1 4.17Å
578A94.4Very high84.9Confident3 Ų339.2 Ų39.23%0.02520%0.197CC..EExtended strand (participates in β ladder)trans-137.3160.4177.700000110.5S280 V282 A324 I329 M350 L580S280-A578 PolarHBondContact N-O 2.96Å; S280-A578 PolarHBondContact O-N 2.87Å; V282-A578 HydrophobicContact CG2-CB 4.05Å; A324-A578 HydrophobicContact CB-CB 3.88Å; I329-A578 HydrophobicContact CD1-CB 3.84Å; I329-A578 HydrophobicContact CG1-CB 4.09Å; M350-A578 HydrophobicContact SD-CB 3.79Å; A578-L580 HydrophobicContact CB-CD1 3.79Å
579K92.6Very high84.7Confident83 Ų8338.5 Ų38.536%0.36119%0.194SC..EExtended strand (participates in β ladder)trans-108.897.3175.9-67.7-161.2-180-132.50108.6L192 L277 L278 D279 M350L192-K579 HydrophobicContact CD2-CD 4.19Å; L277-K579 HydrophobicContact CB-CB 4.15Å; L277-K579 HydrophobicContact CD1-CB 4.29Å; L277-K579 HydrophobicContact CD1-CD 4.39Å; L277-K579 HydrophobicContact CD2-CB 4.35Å; L278-K579 CarbonylContact O-C 3.56Å; L278-K579 WeakPolarHBondContact O-CA 3.46Å; D279-K579 WeakPolarHBondContact OD1-CE 3.49Å; D279-K579 IonicContact OD1-NZ 3.93Å; D279-K579 PolarHBondContact OD1-NZ 2.9Å; D279-K579 VanDerWaalsContact OD1-NZ 3.09Å; M350-K579 VanDerWaalsContact CE-O 3.3Å; M350-K579 WeakPolarHBondContact CE-O 3.31Å
580L92.4Very high84.4Confident3 Ų338.7 Ų38.72%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-86139-175.5-88.379.5000110.4L278 V282 A299 L310 M350 A578 I584L278-L580 PolarHBondContact N-O 2.78Å; L278-L580 PolarHBondContact O-N 3.39Å; V282-L580 HydrophobicContact CG2-CD1 3.74Å; A299-L580 HydrophobicContact CB-CD2 3.82Å; L310-L580 HydrophobicContact CD1-CD2 4.01Å; L310-L580 HydrophobicContact CD2-CD2 4.23Å; M350-L580 HydrophobicContact SD-CD1 3.78Å; M350-L580 HydrophobicContact SD-CG 3.99Å; A578-L580 HydrophobicContact CB-CD1 3.79Å; L580-I584 HydrophobicContact CB-CD1 4.21Å; L580-I584 HydrophobicContact CD2-CD1 3.56Å; L580-I584 HydrophobicContact CD2-CG2 4.46Å; L580-I584 HydrophobicContact CG-CD1 3.96Å
581P92.4Very high84.2Confident2 Ų240.5 Ų40.51%0.01320%0.198CC..EExtended strand (participates in β ladder)trans-71.2140174.529.9-34.7000111.1A276 M350 K583 I584A276-P581 CarbonylContact O-C 3.54Å; A276-P581 WeakPolarHBondContact O-CA 3.47Å; M350-P581 WeakPolarHBondContact O-CG 3.44Å; P581-K583 HydrophobicContact CB-CG 4.11Å; P581-K583 HydrophobicContact CG-CD 4.5Å; P581-K583 HydrophobicContact CG-CG 4.11Å; P581-K583 PolarHBondContact O-N 3.35Å; P581-I584 HydrophobicContact CG-CD1 4.28Å; P581-I584 HydrophobicContact CG-CG1 4.39Å; P581-I584 PolarHBondContact O-N 2.86Å
582C89.2Confident83.9Confident3 Ų341.9 Ų41.92%0.0220%0.204CC..G310 helixtrans-50.4-30.2179.5-87.70000113.9R273 K274 A276 I584 L585R273-C582 WeakPolarHBondContact O-CB 3.48Å; K274-C582 PolarHBondContact O-N 3.27Å; A276-C582 HydrophobicContact CB-CB 4.42Å; A276-C582 PolarHBondContact O-N 2.83Å; A276-C582 PolarHBondContact O-SG 3.5Å; C582-I584 PolarHBondContact O-N 3Å; C582-L585 VanDerWaalsContact O-CB 3.26Å; C582-L585 WeakPolarHBondContact O-CB 3.38Å; C582-L585 PolarHBondContact O-N 3.45Å
583K87.2Confident83.7Confident22 Ų2243.3 Ų43.310%0.09621%0.209CC..G310 helixtrans-57.3-22.1178.669-175.4173.1179.70114.2K274 D351 P581 L585 Q586K274-K583 HydrophobicContact CB-CB 3.91Å; K274-K583 HydrophobicContact CG-CB 4.22Å; K274-K583 PolarHBondContact O-N 3.17Å; D351-K583 VanDerWaalsContact CA-CE 3.49Å; D351-K583 VanDerWaalsContact CA-NZ 3.29Å; D351-K583 VanDerWaalsContact CB-NZ 3.25Å; D351-K583 VanDerWaalsContact CG-NZ 3.3Å; D351-K583 WeakPolarHBondContact O-CE 3.48Å; D351-K583 PolarHBondContact O-NZ 3.34Å; D351-K583 WeakPolarHBondContact OD1-CE 3.36Å; D351-K583 IonicContact OD1-NZ 3.91Å; D351-K583 PolarHBondContact OD1-NZ 3.25Å; P581-K583 HydrophobicContact CB-CG 4.11Å; P581-K583 HydrophobicContact CG-CD 4.5Å; P581-K583 HydrophobicContact CG-CG 4.11Å; P581-K583 PolarHBondContact O-N 3.35Å; K583-L585 VanDerWaalsContact C-N 3.26Å; K583-L585 PolarHBondContact O-N 3.04Å; K583-Q586 PolarHBondContact O-N 2.91Å
584I80.8Confident83.1Confident14 Ų1445.3 Ų45.37%0.07222%0.217CC..G310 helixtrans-64.5-34.2173.6-70177.1000110.7L308 L310 M350 L580 P581 C582 Q586 R587L308-I584 HydrophobicContact CD1-CG2 4.12Å; L310-I584 HydrophobicContact CD2-CD1 4.43Å; L310-I584 HydrophobicContact CD2-CG2 3.63Å; M350-I584 VanDerWaalsContact O-CD1 3.3Å; M350-I584 WeakPolarHBondContact O-CD1 3.3Å; L580-I584 HydrophobicContact CB-CD1 4.21Å; L580-I584 HydrophobicContact CD2-CD1 3.56Å; L580-I584 HydrophobicContact CD2-CG2 4.46Å; L580-I584 HydrophobicContact CG-CD1 3.96Å; P581-I584 HydrophobicContact CG-CD1 4.28Å; P581-I584 HydrophobicContact CG-CG1 4.39Å; P581-I584 PolarHBondContact O-N 2.86Å; C582-I584 PolarHBondContact O-N 3Å; I584-Q586 VanDerWaalsContact C-N 3.29Å; I584-Q586 PolarHBondContact O-N 2.92Å; I584-R587 PolarHBondContact O-N 3.2Å
585L75.3Confident82.4Confident41 Ų4148.3 Ų48.322%0.21523%0.23CC..G310 helixtrans-66.4-31.3175.6-65.5171.7000112.6L269 L278 I301 L306 L308 C582 K583 R587L269-L585 HydrophobicContact CD1-CD1 4.16Å; L278-L585 HydrophobicContact CD1-CD1 3.43Å; L278-L585 VanDerWaalsContact CD1-CD1 3.43Å; L278-L585 HydrophobicContact CD1-CG 4.22Å; I301-L585 HydrophobicContact CG1-CD2 4.28Å; L306-L585 HydrophobicContact CD1-CD2 4.36Å; L308-L585 HydrophobicContact CD1-CD2 3.51Å; L308-L585 HydrophobicContact CD1-CG 4.4Å; L308-L585 HydrophobicContact CD2-CD2 3.86Å; L308-L585 HydrophobicContact CG-CD2 4.23Å; C582-L585 VanDerWaalsContact O-CB 3.26Å; C582-L585 WeakPolarHBondContact O-CB 3.38Å; C582-L585 PolarHBondContact O-N 3.45Å; K583-L585 VanDerWaalsContact C-N 3.26Å; K583-L585 PolarHBondContact O-N 3.04Å; L585-R587 VanDerWaalsContact C-N 3.28Å; L585-R587 PolarHBondContact O-N 2.99Å
586Q64.5Low81.6Confident100 Ų10050.2 Ų50.247%0.46724%0.236SC..G310 helixtrans-82.5-2.4-177-61.3179.2-5.200113.6K583 I584 I588K583-Q586 PolarHBondContact O-N 2.91Å; I584-Q586 VanDerWaalsContact C-N 3.29Å; I584-Q586 PolarHBondContact O-N 2.92Å; Q586-I588 VanDerWaalsContact C-N 3.31Å
587R56.5Low80.5Confident143 Ų14353.7 Ų53.754%0.5425%0.251SS..G310 helixtrans-90.21.3175.3-70.8-175.9178.4-177.61.8112.7D352 N353 I584 L585D352-R587 PolarHBondContact O-NH1 2.94Å; N353-R587 VanDerWaalsContact CB-NH1 3.27Å; I584-R587 PolarHBondContact O-N 3.2Å; L585-R587 VanDerWaalsContact C-N 3.28Å; L585-R587 PolarHBondContact O-N 2.99Å
588I46.8Very low79.3Confident174 Ų17453.5 Ų53.589%0.89225%0.247SC*.  trans-94.30168-57.6-179.6000107.4L308 Q586L308-I588 HydrophobicContact CD2-CD1 3.26Å; Q586-I588 VanDerWaalsContact C-N 3.31Å

Retrieved 588 of 588 residues in 713.1 ms (Link to these results)

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