A0A087Y5Y7_POEFO Loading...

Antizyme inhibitor 1a

Catalyzes the first and rate-limiting step of polyamine biosynthesis that converts ornithine into putrescine, which is the precursor for the polyamines, spermidine and spermine. Polyamines are essential for cell proliferation and are implicated in cellular processes, ranging from DNA replication to apoptosis.

AlphaFold DB , UniProt , Accession A0A087Y5Y7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 453 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
1M35.6Very low48.9Very low247 Ų247126.9 Ų126.9100%1.21768%0.681SS**  0111.70-71.4-175.8-120.500106.3
2K28.8Very low52Low200 Ų200116.3 Ų116.387%0.8762%0.624SS**  cis-123.1142.614.6-72.5170171.1179.50108.7I4K2-I4 PolarHBondContact O-N 2.71Å
3G33.2Very low54.9Low74 Ų74109.2 Ų109.276%0.76359%0.589SS**  trans-63.4122.2163.700000107.9T5G3-T5 PolarHBondContact O-N 3.35Å
4I33.5Very low57.3Low155 Ų155103.5 Ų103.580%0.79556%0.558SS**  trans-74.8110.2159.1-60.6172000102.8K2 D6K2-I4 PolarHBondContact O-N 2.71Å; I4-D6 PolarHBondContact O-N 2.78Å
5T36.6Very low59.3Low120 Ų12097.8 Ų97.874%0.73653%0.527SS*.  trans-54.7118.7161.636.80000106.8G3 E7G3-T5 PolarHBondContact O-N 3.35Å; T5-E7 PolarHBondContact O-N 2.92Å
6D41.7Very low60.8Low127 Ų12796.5 Ų96.568%0.67952%0.52SS*.  trans-55.1106.2174-82.4-32.1000107.8I4I4-D6 PolarHBondContact O-N 2.78Å
7E43Very low61Low168 Ų16895.9 Ų95.979%0.78554%0.542SS*.  trans-71.3137168-78.1-175.7165.700108T5 Q9T5-E7 PolarHBondContact O-N 2.92Å; E7-Q9 PolarHBondContact O-N 2.76Å
8P53.4Low61.6Low64 Ų6495 Ų9542%0.41656%0.557SS.*  trans-59.3126.9178.722.6-30.8000109.8Y10 N432P8-Y10 VanDerWaalsContact C-N 3.33Å; P8-Y10 PolarHBondContact O-N 3.04Å; P8-N432 CarbonylContact C-O 3.16Å; P8-N432 WeakPolarHBondContact CA-O 3.17Å; P8-N432 WeakPolarHBondContact CB-O 3.26Å
9Q68.6Low62.8Low115 Ų11591.7 Ų91.754%0.53754%0.538SS..SBendtrans-77.6-20.3-170.9-158.5175.96.100112.5E7 N432E7-Q9 PolarHBondContact O-N 2.76Å; Q9-N432 HydrophobicContact CB-CB 4.08Å; Q9-N432 PolarHBondContact N-O 2.89Å
10Y79Confident63.9Low62 Ų6289.2 Ų89.224%0.24353%0.528CS..EExtended strand (participates in β ladder)trans-142.8143.8-178.8-49.3-76.4000112.3P8 P74 N432 S434P8-Y10 VanDerWaalsContact C-N 3.33Å; P8-Y10 PolarHBondContact O-N 3.04Å; Y10-P74 HydrophobicContact CD2-CB 4.31Å; Y10-P74 HydrophobicContact CE2-CB 3.44Å; Y10-P74 VanDerWaalsContact CE2-CB 3.44Å; Y10-P74 HydrophobicContact CE2-CG 4.08Å; Y10-P74 WeakPolarHBondContact OH-CG 3.28Å; Y10-N432 PolarHBondContact N-O 2.87Å; Y10-S434 PolarHBondContact O-N 2.95Å; Y10-S434 PolarHBondContact O-OG 2.9Å
11S84.2Confident65Low64 Ų6487.4 Ų87.445%0.44852%0.516SS..EExtended strand (participates in β ladder)trans-95.7132175.357.70000111.6S434S11-S434 WeakPolarHBondContact CA-O 3.44Å; S11-S434 VanDerWaalsContact CA-OG 3.26Å; S11-S434 WeakPolarHBondContact CA-OG 3.4Å
12V87.1Confident67.4Low0 Ų078.5 Ų78.50%048%0.478CS..EExtended strand (participates in β ladder)trans-119.5123.1176-171.70000109.3L45 I409 F433 S434 W435 I436V12-L45 HydrophobicContact CG1-CD1 3.98Å; V12-L45 HydrophobicContact CG2-CD1 4.04Å; V12-I409 HydrophobicContact CG1-CB 4.41Å; V12-I409 HydrophobicContact CG1-CG2 4.11Å; V12-F433 HydrophobicContact CG2-CD1 3.34Å; V12-F433 HydrophobicContact CG2-CE1 3.75Å; V12-F433 HydrophobicContact CG2-CG 4.18Å; V12-S434 PolarHBondContact N-O 2.85Å; V12-W435 HydrophobicContact CB-CE3 3.87Å; V12-W435 HydrophobicContact CB-CH2 4.27Å; V12-W435 HydrophobicContact CB-CZ3 3.64Å; V12-W435 HydrophobicContact CG1-CE3 4.03Å; V12-W435 HydrophobicContact CG1-CH2 4.19Å; V12-W435 HydrophobicContact CG1-CZ3 3.44Å; V12-W435 VanDerWaalsContact CG1-CZ3 3.44Å; V12-W435 HydrophobicContact CG2-CH2 4.38Å; V12-W435 HydrophobicContact CG2-CZ3 4.24Å; V12-I436 PolarHBondContact O-N 2.96Å
13S89.1Confident70.3Confident24 Ų2471.5 Ų71.517%0.16845%0.45CS..EExtended strand (participates in β ladder)trans-82.1122.7178-64.80000110.6Y407 V408 I409 I436S13-Y407 PolarHBondContact N-O 3.44Å; S13-V408 VanDerWaalsContact O-CA 3.3Å; S13-V408 WeakPolarHBondContact O-CA 2.92Å; S13-I409 PolarHBondContact O-N 2.79Å; S13-I436 CarbonylContact C-O 3.43Å; S13-I436 WeakPolarHBondContact CA-O 3.48Å
14L88.3Confident73Confident29 Ų2968 Ų6815%0.15241%0.414CS..EExtended strand (participates in β ladder)trans-88115177.4-173.571.8000109.8I409 S411 W414 I436 Y438L14-I409 WeakPolarHBondContact CA-O 3.5Å; L14-I409 HydrophobicContact CD1-CG2 3.79Å; L14-S411 VanDerWaalsContact CG-OG 3.28Å; L14-S411 WeakPolarHBondContact CG-OG 3.35Å; L14-W414 HydrophobicContact CD1-CB 3.86Å; L14-W414 HydrophobicContact CD1-CG 3.99Å; L14-I436 PolarHBondContact N-O 2.78Å; L14-Y438 WeakPolarHBondContact O-CB 3.5Å; L14-Y438 PolarHBondContact O-N 2.8Å
15L87.9Confident75.8Confident18 Ų1861 Ų619%0.09438%0.378CS..EExtended strand (participates in β ladder)trans-87113.1-179.1-52.2-179.1000110.7T19 V24 V408 I409 S411 Y438L15-T19 HydrophobicContact CD2-CG2 4.36Å; L15-V24 HydrophobicContact CD1-CG2 4.17Å; L15-V24 HydrophobicContact CD2-CG2 3.55Å; L15-V408 HydrophobicContact CD1-CB 4.04Å; L15-V408 HydrophobicContact CD1-CG2 4.1Å; L15-V408 HydrophobicContact CD2-CB 4.47Å; L15-V408 HydrophobicContact CG-CB 4.2Å; L15-I409 PolarHBondContact N-O 2.63Å; L15-S411 PolarHBondContact O-N 2.82Å; L15-S411 PolarHBondContact O-OG 2.94Å; L15-Y438 HydrophobicContact CD2-CD1 3.8Å; L15-Y438 HydrophobicContact CD2-CD2 4.34Å; L15-Y438 HydrophobicContact CD2-CG 3.7Å
16D83.6Confident78.4Confident77 Ų7757.8 Ų57.841%0.41236%0.356SS..  trans-100.3156.6174.6-85.8-31.6000112.1G18 T19 S411D16-G18 PolarHBondContact O-N 3.26Å; D16-T19 PolarHBondContact O-N 3.4Å; D16-T19 PolarHBondContact O-OG1 2.99Å; D16-S411 VanDerWaalsContact OD1-CB 3.27Å; D16-S411 WeakPolarHBondContact OD1-CB 3.04Å; D16-S411 PolarHBondContact OD1-OG 2.78Å
17G64.3Low80.7Confident87 Ų8753.8 Ų53.890%0.89733%0.334SS*.THydrogen-bonded Turntrans64.338.4151.700000118
18G71.6Confident83Confident79 Ų7946.7 Ų46.781%0.81430%0.3SS*.THydrogen-bonded Turntrans85.92.6172.400000115.3D16 A20D16-G18 PolarHBondContact O-N 3.26Å; G18-A20 PolarHBondContact O-N 2.96Å
19T83.3Confident84.7Confident32 Ų3243.9 Ų43.920%0.19628%0.282CS..  trans-62.3124.1169.3-58.10000110.4L15 D16 D23 V24 Y438 L440L15-T19 HydrophobicContact CD2-CG2 4.36Å; D16-T19 PolarHBondContact O-N 3.4Å; D16-T19 PolarHBondContact O-OG1 2.99Å; T19-D23 HydrophobicContact CG2-CB 3.88Å; T19-V24 HydrophobicContact CG2-CG2 4.5Å; T19-Y438 HydrophobicContact CG2-CD1 4Å; T19-Y438 HydrophobicContact CG2-CE1 3.95Å; T19-L440 HydrophobicContact CG2-CD1 3.92Å
20A85.2Confident85.7Confident42 Ų4244.4 Ų44.435%0.34728%0.284SS..  trans-90.2160.2177.600000111.2G18 S22 D23G18-A20 PolarHBondContact O-N 2.96Å; A20-S22 WeakPolarHBondContact CB-OG 3.3Å; A20-S22 PolarHBondContact O-N 3.44Å; A20-D23 PolarHBondContact N-OD2 3.28Å; A20-D23 WeakPolarHBondContact O-CB 3.46Å; A20-D23 PolarHBondContact O-N 3.2Å
21L86.6Confident86.1Confident52 Ų5245.6 Ų45.627%0.27229%0.292SS..Hα-helixtrans-55.1-35.8172.5-176.368.1000111.9D23 V24 I25 V42 D44 V408L21-D23 VanDerWaalsContact C-N 3.26Å; L21-D23 PolarHBondContact O-N 3.17Å; L21-V24 PolarHBondContact O-N 3.06Å; L21-I25 HydrophobicContact CG-CD1 4.1Å; L21-I25 WeakPolarHBondContact O-CG1 3.14Å; L21-I25 PolarHBondContact O-N 3.32Å; L21-V42 HydrophobicContact CD1-CB 4.49Å; L21-V42 HydrophobicContact CD1-CG1 3.56Å; L21-D44 HydrophobicContact CD1-CB 4.43Å; L21-V408 HydrophobicContact CD1-CG2 3.66Å
22S87.6Confident86.2Confident59 Ų5944 Ų4441%0.41328%0.277SS..Hα-helixtrans-58.9-37175.352.50000112.4A20 V24 I25 N26A20-S22 WeakPolarHBondContact CB-OG 3.3Å; A20-S22 PolarHBondContact O-N 3.44Å; S22-V24 VanDerWaalsContact C-N 3.31Å; S22-V24 PolarHBondContact O-N 3.21Å; S22-I25 PolarHBondContact O-N 3.18Å; S22-N26 WeakPolarHBondContact O-CB 3.16Å; S22-N26 PolarHBondContact O-N 3.01Å; S22-N26 PolarHBondContact O-ND2 3.25Å; S22-N26 PolarHBondContact O-OD1 2.97Å; S22-N26 VanDerWaalsContact O-OD1 3.1Å
23D89.1Confident86Confident53 Ų5347 Ų4728%0.28330%0.296SS..Hα-helixtrans-66.3-38-179.9-57-32.5000110.9T19 A20 L21 N26 H27T19-D23 HydrophobicContact CG2-CB 3.88Å; A20-D23 PolarHBondContact N-OD2 3.28Å; A20-D23 WeakPolarHBondContact O-CB 3.46Å; A20-D23 PolarHBondContact O-N 3.2Å; L21-D23 VanDerWaalsContact C-N 3.26Å; L21-D23 PolarHBondContact O-N 3.17Å; D23-N26 PolarHBondContact O-N 3.45Å; D23-H27 WeakPolarHBondContact O-CB 3.18Å; D23-H27 PolarHBondContact O-N 2.87Å
24V90.2Very high85.6Confident0 Ų053.4 Ų53.40%033%0.328CS..Hα-helixtrans-67.2-44.5176.1-176.10000111.2L15 T19 L21 S22 N26 H27 H28 V42 V408 Y438L15-V24 HydrophobicContact CD1-CG2 4.17Å; L15-V24 HydrophobicContact CD2-CG2 3.55Å; T19-V24 HydrophobicContact CG2-CG2 4.5Å; L21-V24 PolarHBondContact O-N 3.06Å; S22-V24 VanDerWaalsContact C-N 3.31Å; S22-V24 PolarHBondContact O-N 3.21Å; V24-N26 VanDerWaalsContact C-N 3.33Å; V24-H27 PolarHBondContact O-N 3.32Å; V24-H28 PolarHBondContact O-CD2 2.87Å; V24-H28 PolarHBondContact O-N 2.84Å; V24-V42 HydrophobicContact CG1-CG1 4.2Å; V24-V408 HydrophobicContact CG1-CG1 3.96Å; V24-V408 HydrophobicContact CG2-CG1 4.38Å; V24-Y438 HydrophobicContact CG1-CE2 4.28Å; V24-Y438 HydrophobicContact CG2-CE1 4.04Å; V24-Y438 HydrophobicContact CG2-CE2 4.31Å
25I91.9Very high85.3Confident10 Ų1056 Ų565%0.05135%0.348CS..Hα-helixtrans-59.6-47.8175.7-67.3166000109.6L21 S22 H27 H28 I29 V42 T282 L381L21-I25 HydrophobicContact CG-CD1 4.1Å; L21-I25 WeakPolarHBondContact O-CG1 3.14Å; L21-I25 PolarHBondContact O-N 3.32Å; S22-I25 PolarHBondContact O-N 3.18Å; I25-H27 VanDerWaalsContact C-N 3.33Å; I25-H27 PolarHBondContact O-N 2.84Å; I25-H28 PolarHBondContact O-N 3.14Å; I25-I29 HydrophobicContact CG2-CD1 3.85Å; I25-I29 HydrophobicContact CG2-CG1 4.38Å; I25-I29 WeakPolarHBondContact O-CG1 3.27Å; I25-I29 PolarHBondContact O-N 2.88Å; I25-V42 HydrophobicContact CG1-CB 4.04Å; I25-V42 HydrophobicContact CG1-CG1 4.45Å; I25-V42 HydrophobicContact CG1-CG2 3.71Å; I25-T282 HydrophobicContact CD1-CG2 4.01Å; I25-L381 HydrophobicContact CG2-CD1 4.1Å; I25-L381 HydrophobicContact CG2-CD2 3.68Å
26N90.9Very high84.7Confident52 Ų5263.4 Ų63.428%0.27838%0.382SS..Hα-helixtrans-59.5-44.7179.3-64.7-11.3000111.3S22 D23 V24 I29 E30 H340S22-N26 WeakPolarHBondContact O-CB 3.16Å; S22-N26 PolarHBondContact O-N 3.01Å; S22-N26 PolarHBondContact O-ND2 3.25Å; S22-N26 PolarHBondContact O-OD1 2.97Å; S22-N26 VanDerWaalsContact O-OD1 3.1Å; D23-N26 PolarHBondContact O-N 3.45Å; V24-N26 VanDerWaalsContact C-N 3.33Å; N26-I29 WeakPolarHBondContact O-CB 3.36Å; N26-I29 PolarHBondContact O-N 3.42Å; N26-E30 WeakPolarHBondContact O-CG 3.47Å; N26-E30 PolarHBondContact O-N 3.16Å; N26-H340 PolarHBondContact OD1-CE1 3.32Å; N26-H340 PolarHBondContact OD1-ND1 3.36Å; N26-H340 VanDerWaalsContact OD1-ND1 3.15Å
27H90Very high84.5Confident43 Ų4363.1 Ų63.120%0.19938%0.377CS..Hα-helixtrans-59.8-48.1177.5-177.764.6000112.3D23 V24 I25 I29 E30 E31 Y438D23-H27 WeakPolarHBondContact O-CB 3.18Å; D23-H27 PolarHBondContact O-N 2.87Å; V24-H27 PolarHBondContact O-N 3.32Å; I25-H27 VanDerWaalsContact C-N 3.33Å; I25-H27 PolarHBondContact O-N 2.84Å; H27-I29 VanDerWaalsContact C-N 3.32Å; H27-I29 PolarHBondContact O-N 2.96Å; H27-E30 WeakPolarHBondContact O-CB 3.34Å; H27-E30 PolarHBondContact O-N 2.87Å; H27-E31 IonicContact CE1-OE1 2.74Å; H27-E31 IonicContact NE2-OE1 2.92Å; H27-E31 PolarHBondContact NE2-OE1 2.69Å; H27-E31 WeakPolarHBondContact O-CG 3.36Å; H27-E31 PolarHBondContact O-N 3.34Å; H27-Y438 VanDerWaalsContact CB-OH 3.26Å; H27-Y438 WeakPolarHBondContact CB-OH 3.44Å; H27-Y438 PolarHBondContact CD2-OH 3.49Å
28H90.6Very high85.6Confident18 Ų1861 Ų618%0.08335%0.348CS..Hα-helixtrans-68.1-31.6177.4-74.6-50.3000112.7V24 I25 E31 Q32 F40 H406V24-H28 PolarHBondContact O-CD2 2.87Å; V24-H28 PolarHBondContact O-N 2.84Å; I25-H28 PolarHBondContact O-N 3.14Å; H28-E31 IonicContact CE1-OE2 3.47Å; H28-E31 IonicContact CG-OE2 3.61Å; H28-E31 IonicContact ND1-OE2 3.57Å; H28-E31 PolarHBondContact ND1-OE2 2.98Å; H28-E31 PolarHBondContact O-N 3.07Å; H28-Q32 VanDerWaalsContact O-CB 3.29Å; H28-Q32 WeakPolarHBondContact O-CB 3.26Å; H28-Q32 WeakPolarHBondContact O-CG 3.46Å; H28-Q32 PolarHBondContact O-N 3.39Å; H28-F40 HydrophobicContact CB-CD2 4.24Å; H28-F40 HydrophobicContact CB-CE1 4.22Å; H28-F40 HydrophobicContact CB-CE2 3.52Å; H28-F40 HydrophobicContact CB-CZ 3.49Å; H28-F40 VanDerWaalsContact CB-CZ 3.49Å; H28-H406 AromaticContact CD2-CG 3.93Å; H28-H406 AromaticContact CE1-CE1 3.81Å; H28-H406 AromaticContact CE1-ND1 3.58Å; H28-H406 AromaticContact NE2-CG 3.61Å; H28-H406 AromaticContact NE2-ND1 3.57Å
29I90.8Very high86.5Confident5 Ų557.6 Ų57.63%0.02631%0.313CS..Hα-helixtrans-61.4-44.6170.4-74.3175.9000110.7I25 N26 H27 Q32 T33 F40 H340 W379 L381I25-I29 HydrophobicContact CG2-CD1 3.85Å; I25-I29 HydrophobicContact CG2-CG1 4.38Å; I25-I29 WeakPolarHBondContact O-CG1 3.27Å; I25-I29 PolarHBondContact O-N 2.88Å; N26-I29 WeakPolarHBondContact O-CB 3.36Å; N26-I29 PolarHBondContact O-N 3.42Å; H27-I29 VanDerWaalsContact C-N 3.32Å; H27-I29 PolarHBondContact O-N 2.96Å; I29-Q32 PolarHBondContact O-N 2.9Å; I29-T33 VanDerWaalsContact O-CB 3.24Å; I29-T33 WeakPolarHBondContact O-CB 3.5Å; I29-T33 PolarHBondContact O-N 3.38Å; I29-T33 PolarHBondContact O-OG1 3.04Å; I29-F40 HydrophobicContact CG1-CE1 4.13Å; I29-F40 HydrophobicContact CG1-CZ 3.82Å; I29-H340 HydrophobicContact CD1-CB 3.93Å; I29-W379 HydrophobicContact CD1-CB 4.02Å; I29-W379 HydrophobicContact CD1-CD2 4.39Å; I29-W379 HydrophobicContact CD1-CG 4.12Å; I29-W379 HydrophobicContact CG1-CD2 4.05Å; I29-W379 HydrophobicContact CG1-CE3 4.3Å; I29-W379 HydrophobicContact CG1-CG 4.2Å; I29-W379 HydrophobicContact CG2-CD2 4.24Å; I29-W379 HydrophobicContact CG2-CG 3.94Å; I29-L381 HydrophobicContact CD1-CD2 4.19Å
30E89.1Confident87Confident126 Ų12656 Ų5659%0.58930%0.303SS*.Hα-helixtrans-61.5-46.2177.2-71.8176179.200111.5N26 H27 T33 L34N26-E30 WeakPolarHBondContact O-CG 3.47Å; N26-E30 PolarHBondContact O-N 3.16Å; H27-E30 WeakPolarHBondContact O-CB 3.34Å; H27-E30 PolarHBondContact O-N 2.87Å; E30-T33 PolarHBondContact O-N 2.93Å; E30-L34 WeakPolarHBondContact O-CG 3.23Å; E30-L34 PolarHBondContact O-N 3.33Å
31E87.8Confident87.5Confident87 Ų8754 Ų5441%0.40729%0.287SS..Hα-helixtrans-60-48.8175.6-69.8-176.4144.100112.1H27 H28 T33 L34 S35H27-E31 IonicContact CE1-OE1 2.74Å; H27-E31 IonicContact NE2-OE1 2.92Å; H27-E31 PolarHBondContact NE2-OE1 2.69Å; H27-E31 WeakPolarHBondContact O-CG 3.36Å; H27-E31 PolarHBondContact O-N 3.34Å; H28-E31 IonicContact CE1-OE2 3.47Å; H28-E31 IonicContact CG-OE2 3.61Å; H28-E31 IonicContact ND1-OE2 3.57Å; H28-E31 PolarHBondContact ND1-OE2 2.98Å; H28-E31 PolarHBondContact O-N 3.07Å; E31-T33 VanDerWaalsContact C-N 3.29Å; E31-T33 PolarHBondContact O-N 3.42Å; E31-L34 PolarHBondContact O-N 2.87Å; E31-L34 VanDerWaalsContact O-N 3.17Å; E31-S35 PolarHBondContact O-N 3.33Å
32Q85.8Confident87.9Confident30 Ų3051.6 Ų51.614%0.1427%0.274CS..Hα-helixtrans-68-30-179.4-71.1-62.2-34.600112.5H28 I29 L34 S35 K37 S38 F40 W379H28-Q32 VanDerWaalsContact O-CB 3.29Å; H28-Q32 WeakPolarHBondContact O-CB 3.26Å; H28-Q32 WeakPolarHBondContact O-CG 3.46Å; H28-Q32 PolarHBondContact O-N 3.39Å; I29-Q32 PolarHBondContact O-N 2.9Å; Q32-L34 PolarHBondContact O-N 3.13Å; Q32-S35 CarbonylContact O-C 3.56Å; Q32-S35 PolarHBondContact O-N 3.03Å; Q32-S35 VanDerWaalsContact O-N 3.12Å; Q32-K37 WeakPolarHBondContact O-CA 3.31Å; Q32-K37 WeakPolarHBondContact O-CG 3.48Å; Q32-K37 PolarHBondContact O-N 3.31Å; Q32-S38 PolarHBondContact OE1-OG 3.12Å; Q32-F40 HydrophobicContact CG-CD1 3.93Å; Q32-F40 HydrophobicContact CG-CE1 4Å; Q32-W379 HydrophobicContact CB-CH2 3.83Å; Q32-W379 HydrophobicContact CB-CZ2 3.76Å; Q32-W379 HydrophobicContact CG-CH2 4.44Å
33T82.6Confident88.3Confident64 Ų6448.9 Ų48.939%0.39326%0.255SS..Hα-helixtrans-65.7-29.9174.9-62.10000112I29 E30 E31 W379I29-T33 VanDerWaalsContact O-CB 3.24Å; I29-T33 WeakPolarHBondContact O-CB 3.5Å; I29-T33 PolarHBondContact O-N 3.38Å; I29-T33 PolarHBondContact O-OG1 3.04Å; E30-T33 PolarHBondContact O-N 2.93Å; E31-T33 VanDerWaalsContact C-N 3.29Å; E31-T33 PolarHBondContact O-N 3.42Å; T33-W379 PolarHBondContact OG1-NE1 3.13Å
34L80.9Confident88.6Confident159 Ų15947.4 Ų47.483%0.83225%0.247SC*.Hα-helixtrans-84.5-13.5174-63.1172.5000113.3E30 E31 Q32E30-L34 WeakPolarHBondContact O-CG 3.23Å; E30-L34 PolarHBondContact O-N 3.33Å; E31-L34 PolarHBondContact O-N 2.87Å; E31-L34 VanDerWaalsContact O-N 3.17Å; Q32-L34 PolarHBondContact O-N 3.13Å
35S82.1Confident88.7Confident84 Ų8447.5 Ų47.559%0.58725%0.248SC*.THydrogen-bonded Turntrans-110.5-129-178.1-162.30000111.8E31 Q32E31-S35 PolarHBondContact O-N 3.33Å; Q32-S35 CarbonylContact O-C 3.56Å; Q32-S35 PolarHBondContact O-N 3.03Å; Q32-S35 VanDerWaalsContact O-N 3.12Å
36E75.5Confident88.7Confident172 Ų17247 Ų4780%0.80425%0.245SC*.THydrogen-bonded Turntrans-950.6-171-64.3-176.7169.400113.2S38E36-S38 PolarHBondContact O-N 3.34Å
37K78.2Confident88.9Confident71 Ų7145.5 Ų45.531%0.30924%0.238SC..  trans51.442.4-174.5-59.5-175.7179.7-170.70113Q32 N286 N318 W379Q32-K37 WeakPolarHBondContact O-CA 3.31Å; Q32-K37 WeakPolarHBondContact O-CG 3.48Å; Q32-K37 PolarHBondContact O-N 3.31Å; K37-N286 HydrophobicContact CB-CB 4.5Å; K37-N318 PolarHBondContact O-ND2 3.44Å; K37-W379 HydrophobicContact CB-CZ2 4.25Å
38S86.9Confident89.1Confident42 Ų4243.4 Ų43.429%0.29423%0.228SC..  trans-70.6142.2176.164.50000110.8Q32 E36 W379Q32-S38 PolarHBondContact OE1-OG 3.12Å; E36-S38 PolarHBondContact O-N 3.34Å; S38-W379 WeakPolarHBondContact O-CH2 3.4Å
39A92Very high89.1Confident8 Ų843 Ų437%0.06623%0.226CC..  trans-62.2149.9170.400000109.6L283 A284 V285 N318 E319 P403 P404A39-L283 HydrophobicContact CB-CD1 4.5Å; A39-A284 VanDerWaalsContact CA-O 3.25Å; A39-A284 WeakPolarHBondContact CA-O 3.35Å; A39-A284 WeakPolarHBondContact CB-O 3.45Å; A39-V285 HydrophobicContact CB-CG1 4.25Å; A39-N318 PolarHBondContact N-ND2 3.22Å; A39-N318 VanDerWaalsContact N-ND2 3.15Å; A39-E319 HydrophobicContact CB-CB 4.46Å; A39-E319 HydrophobicContact CB-CG 3.95Å; A39-P403 HydrophobicContact CB-CB 4.38Å; A39-P403 HydrophobicContact CB-CG 4.1Å; A39-P403 WeakPolarHBondContact O-CB 3.48Å; A39-P404 WeakPolarHBondContact O-CD 3.48Å
40F93.5Very high89.2Confident0 Ų046.8 Ų46.80%024%0.24CC..EExtended strand (participates in β ladder)trans-151.8156.5179.965.2-89.6000111.8H28 I29 Q32 V42 A284 W379 P404 H406H28-F40 HydrophobicContact CB-CD2 4.24Å; H28-F40 HydrophobicContact CB-CE1 4.22Å; H28-F40 HydrophobicContact CB-CE2 3.52Å; H28-F40 HydrophobicContact CB-CZ 3.49Å; H28-F40 VanDerWaalsContact CB-CZ 3.49Å; I29-F40 HydrophobicContact CG1-CE1 4.13Å; I29-F40 HydrophobicContact CG1-CZ 3.82Å; Q32-F40 HydrophobicContact CG-CD1 3.93Å; Q32-F40 HydrophobicContact CG-CE1 4Å; F40-V42 HydrophobicContact CD2-CG2 3.94Å; F40-V42 HydrophobicContact CE2-CG2 3.69Å; F40-A284 HydrophobicContact CD1-CB 4.15Å; F40-A284 HydrophobicContact CD2-CB 4.36Å; F40-A284 HydrophobicContact CE1-CB 3.76Å; F40-A284 HydrophobicContact CE2-CB 3.98Å; F40-A284 HydrophobicContact CG-CB 4.45Å; F40-A284 HydrophobicContact CZ-CB 3.68Å; F40-A284 PolarHBondContact N-O 3.27Å; F40-A284 VanDerWaalsContact N-O 3.1Å; F40-A284 PolarHBondContact O-N 3.31Å; F40-W379 HydrophobicContact CD1-CH2 4.19Å; F40-W379 HydrophobicContact CD1-CZ3 4.04Å; F40-W379 HydrophobicContact CE1-CE3 4.44Å; F40-W379 AromaticContact CE1-CH2 3.89Å; F40-W379 HydrophobicContact CE1-CH2 3.89Å; F40-W379 AromaticContact CE1-CZ3 3.73Å; F40-W379 HydrophobicContact CE1-CZ3 3.73Å; F40-P404 HydrophobicContact CB-CG 4.01Å; F40-H406 AromaticContact CD2-CD2 3.9Å
41F94.8Very high89.4Confident0 Ų040.9 Ų40.90%021%0.213CC..EExtended strand (participates in β ladder)trans-102145.3172.1-71.7-89.2000111.2F281 T282 L283 S324 A385 L390 P403 P404 V405 H406F41-F281 HydrophobicContact CB-CD1 4.43Å; F41-F281 HydrophobicContact CD1-CB 4.26Å; F41-F281 HydrophobicContact CD1-CD1 4.27Å; F41-T282 WeakPolarHBondContact CA-O 3.39Å; F41-L283 HydrophobicContact CD1-CB 3.88Å; F41-L283 HydrophobicContact CD1-CD1 4.17Å; F41-L283 HydrophobicContact CD2-CD1 4.07Å; F41-L283 HydrophobicContact CE1-CB 3.6Å; F41-L283 HydrophobicContact CE1-CD1 3.93Å; F41-L283 HydrophobicContact CE1-CD2 4.35Å; F41-L283 HydrophobicContact CE1-CG 4.14Å; F41-L283 HydrophobicContact CE2-CD1 3.78Å; F41-L283 HydrophobicContact CG-CD1 4.26Å; F41-L283 HydrophobicContact CZ-CB 4.19Å; F41-L283 HydrophobicContact CZ-CD1 3.72Å; F41-L283 HydrophobicContact CZ-CD2 4.17Å; F41-L283 HydrophobicContact CZ-CG 4.23Å; F41-S324 WeakPolarHBondContact CZ-OG 3.45Å; F41-A385 HydrophobicContact CE1-CB 4.05Å; F41-A385 WeakPolarHBondContact CE1-O 3.24Å; F41-L390 HydrophobicContact CD1-CD2 4.42Å; F41-L390 HydrophobicContact CD2-CD2 3.61Å; F41-L390 HydrophobicContact CE1-CD2 4.17Å; F41-L390 HydrophobicContact CE2-CD2 3.34Å; F41-L390 HydrophobicContact CG-CD2 4.15Å; F41-L390 HydrophobicContact CZ-CD2 3.64Å; F41-P403 HydrophobicContact CD2-CB 3.81Å; F41-P403 HydrophobicContact CE2-CB 3.84Å; F41-P403 HydrophobicContact CE2-CG 4.15Å; F41-P404 PolarHBondContact N-O 2.87Å; F41-V405 HydrophobicContact CB-CB 4.33Å; F41-V405 HydrophobicContact CB-CG1 4.13Å; F41-V405 HydrophobicContact CB-CG2 4.1Å; F41-V405 HydrophobicContact CD2-CG2 4.29Å; F41-V405 HydrophobicContact CG-CG2 4.49Å; F41-H406 PolarHBondContact O-CD2 3Å; F41-H406 PolarHBondContact O-N 3.01Å
42V95.4Very high89.7Confident1 Ų137.3 Ų37.31%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-115.9127161.1-171.30000108.3L21 V24 I25 F40 F281 T282 H406 V408L21-V42 HydrophobicContact CD1-CB 4.49Å; L21-V42 HydrophobicContact CD1-CG1 3.56Å; V24-V42 HydrophobicContact CG1-CG1 4.2Å; I25-V42 HydrophobicContact CG1-CB 4.04Å; I25-V42 HydrophobicContact CG1-CG1 4.45Å; I25-V42 HydrophobicContact CG1-CG2 3.71Å; F40-V42 HydrophobicContact CD2-CG2 3.94Å; F40-V42 HydrophobicContact CE2-CG2 3.69Å; V42-F281 WeakPolarHBondContact O-CA 3.42Å; V42-T282 PolarHBondContact N-O 3.49Å; V42-T282 PolarHBondContact O-N 3.13Å; V42-H406 WeakPolarHBondContact CA-O 3.44Å; V42-V408 HydrophobicContact CG1-CG1 4.07Å; V42-V408 HydrophobicContact CG1-CG2 4.35Å
43A95.6Very high89.9Confident1 Ų139.6 Ų39.61%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-119.9113.6-173.400000111.2L45 A280 F281 V405 H406 Y407 V408A43-L45 PolarHBondContact O-N 2.87Å; A43-A280 CarbonylContact C-O 3.51Å; A43-A280 VanDerWaalsContact CA-O 3.3Å; A43-A280 WeakPolarHBondContact CA-O 3.28Å; A43-F281 HydrophobicContact CB-CD1 3.59Å; A43-F281 HydrophobicContact CB-CD2 4.39Å; A43-F281 HydrophobicContact CB-CE1 3.43Å; A43-F281 VanDerWaalsContact CB-CE1 3.43Å; A43-F281 HydrophobicContact CB-CE2 4.24Å; A43-F281 HydrophobicContact CB-CG 4.07Å; A43-F281 HydrophobicContact CB-CZ 3.77Å; A43-V405 HydrophobicContact CB-CG1 3.85Å; A43-H406 PolarHBondContact N-O 2.8Å; A43-Y407 HydrophobicContact CB-CD1 3.71Å; A43-Y407 HydrophobicContact CB-CE1 4.03Å; A43-Y407 WeakPolarHBondContact O-CA 3.42Å; A43-V408 PolarHBondContact O-N 3.1Å
44D95.1Very high90.4Very high23 Ų2341.1 Ų41.112%0.12321%0.21CC..EExtended strand (participates in β ladder)trans-86.4101.8174-179.23.4000110.4L21 G46 V47 R50 A280 V408L21-D44 HydrophobicContact CD1-CB 4.43Å; D44-G46 PolarHBondContact O-N 3.09Å; D44-G46 WeakPolarHBondContact OD1-CA 3.2Å; D44-G46 PolarHBondContact OD1-N 3.45Å; D44-V47 HydrophobicContact CB-CG2 3.91Å; D44-V47 WeakPolarHBondContact O-CB 3.27Å; D44-V47 PolarHBondContact O-N 3.2Å; D44-V47 WeakPolarHBondContact OD2-CG2 3.41Å; D44-R50 IonicContact OD2-NH2 2.84Å; D44-R50 PolarHBondContact OD2-NH2 3.2Å; D44-R50 VanDerWaalsContact OD2-NH2 3.15Å; D44-A280 PolarHBondContact N-O 3.24Å; D44-V408 WeakPolarHBondContact CA-O 3.13Å; D44-V408 HydrophobicContact CB-CG2 4.04Å
45L93.4Very high91.1Very high1 Ų133.5 Ų33.51%0.00517%0.171CC..Hα-helixtrans-65.4-24.5177.9-61.4-178.1000112.3V12 A43 V47 I48 M49 V79 Y407 V408 I409 F433V12-L45 HydrophobicContact CG1-CD1 3.98Å; V12-L45 HydrophobicContact CG2-CD1 4.04Å; A43-L45 PolarHBondContact O-N 2.87Å; L45-V47 VanDerWaalsContact C-N 3.26Å; L45-V47 PolarHBondContact O-N 3.02Å; L45-I48 HydrophobicContact CD2-CD1 3.92Å; L45-I48 WeakPolarHBondContact O-CB 3.34Å; L45-I48 PolarHBondContact O-N 3.4Å; L45-I48 VanDerWaalsContact O-N 3.17Å; L45-M49 PolarHBondContact O-N 3.39Å; L45-V79 HydrophobicContact CD1-CG2 4.24Å; L45-Y407 HydrophobicContact CD1-CD1 4.48Å; L45-Y407 HydrophobicContact CD2-CD1 3.87Å; L45-Y407 HydrophobicContact CD2-CE1 4.49Å; L45-Y407 HydrophobicContact CG-CD1 4.29Å; L45-V408 PolarHBondContact N-O 3.33Å; L45-I409 HydrophobicContact CB-CD1 4.42Å; L45-F433 HydrophobicContact CD1-CE1 4.33Å; L45-F433 HydrophobicContact CD1-CZ 4.44Å
46G92Very high91.6Very high0 Ų035.6 Ų35.60%017%0.165CC..Hα-helixtrans-63.9-31.1174.700000112.5D44 I48 M49 R50D44-G46 PolarHBondContact O-N 3.09Å; D44-G46 WeakPolarHBondContact OD1-CA 3.2Å; D44-G46 PolarHBondContact OD1-N 3.45Å; G46-I48 VanDerWaalsContact C-N 3.33Å; G46-I48 PolarHBondContact O-N 2.97Å; G46-M49 PolarHBondContact O-N 2.99Å; G46-R50 WeakPolarHBondContact O-CG 3.35Å; G46-R50 PolarHBondContact O-N 2.7Å; G46-R50 PolarHBondContact O-NH1 3.47Å
47V94Very high92.3Very high20 Ų2031.8 Ų31.812%0.12115%0.154CC..Hα-helixtrans-60.4-44.8172.9174.40000110.8D44 L45 M49 R50 Q51 T279 A280D44-V47 HydrophobicContact CB-CG2 3.91Å; D44-V47 WeakPolarHBondContact O-CB 3.27Å; D44-V47 PolarHBondContact O-N 3.2Å; D44-V47 WeakPolarHBondContact OD2-CG2 3.41Å; L45-V47 VanDerWaalsContact C-N 3.26Å; L45-V47 PolarHBondContact O-N 3.02Å; V47-M49 VanDerWaalsContact C-N 3.29Å; V47-M49 PolarHBondContact O-N 3.16Å; V47-R50 PolarHBondContact O-N 3.48Å; V47-Q51 HydrophobicContact CG1-CG 4.38Å; V47-Q51 WeakPolarHBondContact O-CG 3.5Å; V47-Q51 PolarHBondContact O-N 2.83Å; V47-T279 VanDerWaalsContact CG1-OG1 3.26Å; V47-T279 WeakPolarHBondContact CG1-OG1 3.37Å; V47-A280 HydrophobicContact CB-CB 3.9Å; V47-A280 HydrophobicContact CG1-CB 3.93Å
48I94.6Very high93Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-61.6-43.1-177.9-57.7174.1000109.9L45 G46 Q51 H52 V76 V79 L80 F276 A280L45-I48 HydrophobicContact CD2-CD1 3.92Å; L45-I48 WeakPolarHBondContact O-CB 3.34Å; L45-I48 PolarHBondContact O-N 3.4Å; L45-I48 VanDerWaalsContact O-N 3.17Å; G46-I48 VanDerWaalsContact C-N 3.33Å; G46-I48 PolarHBondContact O-N 2.97Å; I48-Q51 PolarHBondContact O-N 3.27Å; I48-H52 PolarHBondContact O-N 3.28Å; I48-V76 HydrophobicContact CD1-CB 4.38Å; I48-V76 HydrophobicContact CD1-CG1 4.23Å; I48-V76 HydrophobicContact CD1-CG2 3.75Å; I48-V79 HydrophobicContact CG2-CG1 4.32Å; I48-L80 HydrophobicContact CG2-CD2 3.67Å; I48-L80 HydrophobicContact CG2-CG 4Å; I48-F276 HydrophobicContact CG2-CD1 4.3Å; I48-A280 HydrophobicContact CD1-CB 4.37Å; I48-A280 HydrophobicContact CG1-CB 3.8Å
49M91.3Very high93.3Very high8 Ų828 Ų284%0.03913%0.133CC..Hα-helixtrans-63.3-46175.7-62.8176.15200112.8L45 G46 V47 Q51 H52 V53 V79 L83 I409 D413 M417L45-M49 PolarHBondContact O-N 3.39Å; G46-M49 PolarHBondContact O-N 2.99Å; V47-M49 VanDerWaalsContact C-N 3.29Å; V47-M49 PolarHBondContact O-N 3.16Å; M49-Q51 PolarHBondContact O-N 3.27Å; M49-H52 WeakPolarHBondContact O-CA 3.46Å; M49-H52 WeakPolarHBondContact O-CB 3.48Å; M49-H52 PolarHBondContact O-N 3.12Å; M49-V53 PolarHBondContact O-N 3.11Å; M49-V79 HydrophobicContact CG-CG1 4.35Å; M49-L83 HydrophobicContact CG-CD1 4.39Å; M49-I409 HydrophobicContact SD-CD1 3.88Å; M49-D413 WeakPolarHBondContact CE-O 3.14Å; M49-D413 HydrophobicContact SD-CB 4.34Å; M49-M417 HydrophobicContact CE-CB 3.19Å; M49-M417 HydrophobicContact CE-CG 3.5Å; M49-M417 VanDerWaalsContact CE-N 3.34Å; M49-M417 HydrophobicContact CE-SD 4.16Å; M49-M417 HydrophobicContact CG-CG 4.29Å; M49-M417 HydrophobicContact CG-SD 3.82Å; M49-M417 HydrophobicContact SD-CB 3.52Å; M49-M417 VanDerWaalsContact SD-CB 3.52Å; M49-M417 HydrophobicContact SD-CE 4.43Å; M49-M417 HydrophobicContact SD-CG 3.57Å; M49-M417 VanDerWaalsContact SD-CG 3.57Å; M49-M417 HydrophobicContact SD-SD 3.37Å
50R91.7Very high93.2Very high85 Ų8531.9 Ų31.932%0.32116%0.158SC..Hα-helixtrans-59-38.4176.7-71.9-174.4-64.8-91.44.4110.9D44 G46 V47 V53 R54 D413D44-R50 IonicContact OD2-NH2 2.84Å; D44-R50 PolarHBondContact OD2-NH2 3.2Å; D44-R50 VanDerWaalsContact OD2-NH2 3.15Å; G46-R50 WeakPolarHBondContact O-CG 3.35Å; G46-R50 PolarHBondContact O-N 2.7Å; G46-R50 PolarHBondContact O-NH1 3.47Å; V47-R50 PolarHBondContact O-N 3.48Å; R50-V53 PolarHBondContact O-N 2.92Å; R50-R54 WeakPolarHBondContact O-CB 3.34Å; R50-R54 VanDerWaalsContact O-CG 3.29Å; R50-R54 WeakPolarHBondContact O-CG 3.35Å; R50-R54 PolarHBondContact O-N 3.42Å; R50-D413 IonicContact CZ-OD2 3.17Å; R50-D413 IonicContact NH1-OD1 2.64Å; R50-D413 PolarHBondContact NH1-OD1 3.21Å; R50-D413 IonicContact NH1-OD2 2.87Å; R50-D413 PolarHBondContact NH1-OD2 2.9Å
51Q94.6Very high93.1Very high2 Ų236.7 Ų36.71%0.00918%0.18CC..Hα-helixtrans-65.6-37.7173.1-66.8-66.440.300112.3V47 I48 M49 R54 W55 G240 F275 F276V47-Q51 HydrophobicContact CG1-CG 4.38Å; V47-Q51 WeakPolarHBondContact O-CG 3.5Å; V47-Q51 PolarHBondContact O-N 2.83Å; I48-Q51 PolarHBondContact O-N 3.27Å; M49-Q51 PolarHBondContact O-N 3.27Å; Q51-R54 WeakPolarHBondContact O-CB 3.5Å; Q51-R54 PolarHBondContact O-N 3.06Å; Q51-W55 PolarHBondContact O-N 3.33Å; Q51-G240 PolarHBondContact NE2-O 3.18Å; Q51-G240 VanDerWaalsContact NE2-O 3.13Å; Q51-F275 HydrophobicContact CB-CD1 4.36Å; Q51-F275 HydrophobicContact CB-CE1 3.79Å; Q51-F275 HydrophobicContact CB-CZ 4.14Å; Q51-F275 WeakPolarHBondContact CG-O 3.49Å; Q51-F275 PolarHBondContact NE2-O 2.87Å; Q51-F275 VanDerWaalsContact O-CE1 3.32Å; Q51-F275 WeakPolarHBondContact O-CE1 3.3Å; Q51-F275 WeakPolarHBondContact O-CZ 3.4Å; Q51-F276 HydrophobicContact CB-CD1 3.95Å; Q51-F276 HydrophobicContact CB-CE1 4.42Å
52H93.1Very high93.1Very high12 Ų1237 Ų376%0.05618%0.181CC..Hα-helixtrans-63.4-45172.8-172.788.9000112.5I48 M49 R54 W55 R56 L83 F276I48-H52 PolarHBondContact O-N 3.28Å; M49-H52 WeakPolarHBondContact O-CA 3.46Å; M49-H52 WeakPolarHBondContact O-CB 3.48Å; M49-H52 PolarHBondContact O-N 3.12Å; H52-R54 VanDerWaalsContact C-N 3.31Å; H52-R54 PolarHBondContact O-N 3.32Å; H52-W55 WeakPolarHBondContact O-CB 2.95Å; H52-W55 PolarHBondContact O-N 3.33Å; H52-R56 PolarHBondContact NE2-NE 3.2Å; H52-R56 WeakPolarHBondContact O-CG 3.42Å; H52-R56 PolarHBondContact O-N 3.2Å; H52-L83 HydrophobicContact CB-CD1 3.79Å; H52-L83 PolarHBondContact CE1-O 2.94Å; H52-L83 PolarHBondContact NE2-O 3.41Å; H52-F276 HydrophobicContact CB-CE1 3.94Å
53V91.4Very high93.1Very high78 Ų7840.8 Ų40.847%0.47320%0.196SC..Hα-helixtrans-61-42.9175.7173.60000110.7M49 R50 W55 R56 T57M49-V53 PolarHBondContact O-N 3.11Å; R50-V53 PolarHBondContact O-N 2.92Å; V53-W55 PolarHBondContact O-N 2.79Å; V53-R56 PolarHBondContact O-N 2.98Å; V53-T57 WeakPolarHBondContact O-CB 3.17Å; V53-T57 PolarHBondContact O-N 2.63Å; V53-T57 PolarHBondContact O-OG1 3.39Å
54R93Very high93.1Very high96 Ų9640.8 Ų40.836%0.36220%0.196SC..Hα-helixtrans-59.7-44.7174.3-77.7168.7171.4173.4-0.1112R50 Q51 H52 T57 H58 E242R50-R54 WeakPolarHBondContact O-CB 3.34Å; R50-R54 VanDerWaalsContact O-CG 3.29Å; R50-R54 WeakPolarHBondContact O-CG 3.35Å; R50-R54 PolarHBondContact O-N 3.42Å; Q51-R54 WeakPolarHBondContact O-CB 3.5Å; Q51-R54 PolarHBondContact O-N 3.06Å; H52-R54 VanDerWaalsContact C-N 3.31Å; H52-R54 PolarHBondContact O-N 3.32Å; R54-T57 PolarHBondContact O-N 3.23Å; R54-H58 PolarHBondContact O-N 2.96Å; R54-H58 PolarHBondContact O-ND1 2.87Å; R54-E242 IonicContact NE-OE2 2.71Å
55W94.5Very high93.2Very high0 Ų040.4 Ų40.40%019%0.193CC..Hα-helixtrans-59.1-50.8175.4-175-80.7000111.3Q51 H52 V53 T57 H58 M59 I62 P64 F238 L245 A270 P272 F275Q51-W55 PolarHBondContact O-N 3.33Å; H52-W55 WeakPolarHBondContact O-CB 2.95Å; H52-W55 PolarHBondContact O-N 3.33Å; V53-W55 PolarHBondContact O-N 2.79Å; W55-T57 PolarHBondContact O-N 3Å; W55-H58 PolarHBondContact O-N 2.95Å; W55-M59 HydrophobicContact CD2-CB 4.23Å; W55-M59 HydrophobicContact CD2-CG 4.46Å; W55-M59 HydrophobicContact CG-CB 4.44Å; W55-M59 HydrophobicContact CZ2-CB 4.22Å; W55-M59 HydrophobicContact CZ2-CG 4.39Å; W55-M59 CarbonylContact O-C 3.33Å; W55-M59 WeakPolarHBondContact O-CA 3.35Å; W55-M59 WeakPolarHBondContact O-CB 3.49Å; W55-M59 PolarHBondContact O-N 3.4Å; W55-I62 HydrophobicContact CZ2-CB 4.32Å; W55-I62 HydrophobicContact CZ2-CG2 3.87Å; W55-I62 PolarHBondContact NE1-O 3Å; W55-P64 HydrophobicContact CD2-CB 4.29Å; W55-P64 HydrophobicContact CG-CB 4.5Å; W55-P64 HydrophobicContact CG-CG 4.4Å; W55-P64 HydrophobicContact CZ2-CB 4.28Å; W55-F238 HydrophobicContact CH2-CD1 4.29Å; W55-F238 HydrophobicContact CH2-CD2 4.06Å; W55-F238 AromaticContact CH2-CE1 3.93Å; W55-F238 HydrophobicContact CH2-CE1 3.93Å; W55-F238 AromaticContact CH2-CE2 3.71Å; W55-F238 HydrophobicContact CH2-CE2 3.71Å; W55-F238 HydrophobicContact CH2-CG 4.35Å; W55-F238 AromaticContact CH2-CZ 3.64Å; W55-F238 HydrophobicContact CH2-CZ 3.64Å; W55-F238 AromaticContact CZ3-CD1 3.9Å; W55-F238 HydrophobicContact CZ3-CD1 3.9Å; W55-F238 AromaticContact CZ3-CD2 3.92Å; W55-F238 HydrophobicContact CZ3-CD2 3.92Å; W55-F238 AromaticContact CZ3-CE1 4Å; W55-F238 HydrophobicContact CZ3-CE1 4Å; W55-F238 HydrophobicContact CZ3-CE2 4.05Å; W55-F238 AromaticContact CZ3-CG 3.86Å; W55-F238 HydrophobicContact CZ3-CG 3.86Å; W55-F238 HydrophobicContact CZ3-CZ 4.08Å; W55-L245 HydrophobicContact CE3-CD1 4.02Å; W55-L245 HydrophobicContact CZ3-CD1 3.89Å; W55-A270 HydrophobicContact CH2-CB 3.66Å; W55-A270 HydrophobicContact CZ2-CB 3.75Å; W55-P272 HydrophobicContact CE3-CB 4.47Å; W55-P272 HydrophobicContact CE3-CG 4.35Å; W55-P272 HydrophobicContact CH2-CB 4.38Å; W55-P272 HydrophobicContact CH2-CG 4.07Å; W55-P272 HydrophobicContact CZ3-CB 3.95Å; W55-P272 HydrophobicContact CZ3-CG 3.99Å; W55-F275 HydrophobicContact CB-CE1 4.05Å; W55-F275 HydrophobicContact CB-CZ 4.21Å; W55-F275 HydrophobicContact CE3-CD1 4.16Å; W55-F275 AromaticContact CE3-CE1 3.88Å; W55-F275 HydrophobicContact CE3-CE1 3.88Å; W55-F275 HydrophobicContact CE3-CZ 4.09Å
56R92.5Very high93.4Very high127 Ų12740.4 Ų40.448%0.47919%0.193SC..Hα-helixtrans-59.7-33.7178.6-71.5-68.8-163.3163.45.6113H52 V53 P60H52-R56 PolarHBondContact NE2-NE 3.2Å; H52-R56 WeakPolarHBondContact O-CG 3.42Å; H52-R56 PolarHBondContact O-N 3.2Å; V53-R56 PolarHBondContact O-N 2.98Å; R56-P60 WeakPolarHBondContact O-CA 3.39Å; R56-P60 WeakPolarHBondContact O-CB 3.5Å
57T91.9Very high93.5Very high93 Ų9341 Ų4157%0.57120%0.197SC*.Hα-helixtrans-74.7-44.3-179-56.50000111.8V53 R54 W55V53-T57 WeakPolarHBondContact O-CB 3.17Å; V53-T57 PolarHBondContact O-N 2.63Å; V53-T57 PolarHBondContact O-OG1 3.39Å; R54-T57 PolarHBondContact O-N 3.23Å; W55-T57 PolarHBondContact O-N 3Å
58H92.3Very high93.5Very high31 Ų3140 Ų4014%0.14419%0.191CC..Hα-helixtrans-94-28.2-173.6-63.891.3000113.7R54 W55 P60 E242 L245 E246 N249R54-H58 PolarHBondContact O-N 2.96Å; R54-H58 PolarHBondContact O-ND1 2.87Å; W55-H58 PolarHBondContact O-N 2.95Å; H58-P60 WeakPolarHBondContact O-CD 3.3Å; H58-E242 IonicContact CE1-OE1 2.61Å; H58-E242 PolarHBondContact CE1-OE1 3.38Å; H58-E242 VanDerWaalsContact CE1-OE1 3.23Å; H58-E242 IonicContact NE2-OE1 3.08Å; H58-E242 PolarHBondContact NE2-OE1 3.39Å; H58-L245 HydrophobicContact CB-CD2 3.74Å; H58-L245 HydrophobicContact CB-CG 4.15Å; H58-E246 IonicContact CD2-OE1 3.47Å; H58-E246 IonicContact NE2-OE1 2.6Å; H58-N249 PolarHBondContact O-ND2 3.02Å; H58-N249 PolarHBondContact O-OD1 2.78Å
59M92.1Very high93.3Very high1 Ų146.1 Ų46.11%0.00522%0.215CC..  trans-123.551.3-177.4-63.6-71.7-164.300111.9W55 Q61 I62 F238 L245 I248 N249W55-M59 HydrophobicContact CD2-CB 4.23Å; W55-M59 HydrophobicContact CD2-CG 4.46Å; W55-M59 HydrophobicContact CG-CB 4.44Å; W55-M59 HydrophobicContact CZ2-CB 4.22Å; W55-M59 HydrophobicContact CZ2-CG 4.39Å; W55-M59 CarbonylContact O-C 3.33Å; W55-M59 WeakPolarHBondContact O-CA 3.35Å; W55-M59 WeakPolarHBondContact O-CB 3.49Å; W55-M59 PolarHBondContact O-N 3.4Å; M59-Q61 PolarHBondContact O-N 3.34Å; M59-Q61 VanDerWaalsContact O-N 3.12Å; M59-I62 HydrophobicContact CB-CB 4.37Å; M59-I62 PolarHBondContact O-N 3.44Å; M59-I62 VanDerWaalsContact O-N 3.09Å; M59-I62 HydrophobicContact SD-CD1 3.74Å; M59-F238 HydrophobicContact CE-CE1 4.11Å; M59-L245 HydrophobicContact CE-CD1 3.6Å; M59-L245 HydrophobicContact CE-CG 4.1Å; M59-L245 WeakPolarHBondContact CE-O 3.38Å; M59-L245 HydrophobicContact CG-CD1 3.84Å; M59-L245 HydrophobicContact CG-CD2 4.46Å; M59-L245 HydrophobicContact CG-CG 4.11Å; M59-I248 HydrophobicContact CE-CB 4.21Å; M59-I248 HydrophobicContact CE-CG2 4Å; M59-N249 HydrophobicContact CE-CB 3.56Å; M59-N249 HydrophobicContact SD-CB 3.55Å; M59-N249 VanDerWaalsContact SD-CB 3.55Å; M59-N249 PolarHBondContact SD-OD1 3.29Å
60P90.6Very high93.2Very high91 Ų9145.9 Ų45.959%0.59121%0.213SC*.THydrogen-bonded Turntrans-63.1-25.3-170.325.4-35.4000114.2R56 H58R56-P60 WeakPolarHBondContact O-CA 3.39Å; R56-P60 WeakPolarHBondContact O-CB 3.5Å; H58-P60 WeakPolarHBondContact O-CD 3.3Å
61Q90.9Very high93.2Very high101 Ų10141.9 Ų41.947%0.47220%0.198SC..THydrogen-bonded Turntrans-87.2-12.4-179.2-62.9-176.4-7.700113.4M59 M253M59-Q61 PolarHBondContact O-N 3.34Å; M59-Q61 VanDerWaalsContact O-N 3.12Å; Q61-M253 HydrophobicContact CB-SD 4.4Å; Q61-M253 PolarHBondContact OE1-SD 3.13Å
62I94.6Very high93.1Very high5 Ų544.2 Ų44.23%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-108.4120-174.5-57.8171.3000109.1W55 M59 I234 V252 M253 I268 A270W55-I62 HydrophobicContact CZ2-CB 4.32Å; W55-I62 HydrophobicContact CZ2-CG2 3.87Å; W55-I62 PolarHBondContact NE1-O 3Å; M59-I62 HydrophobicContact CB-CB 4.37Å; M59-I62 PolarHBondContact O-N 3.44Å; M59-I62 VanDerWaalsContact O-N 3.09Å; M59-I62 HydrophobicContact SD-CD1 3.74Å; I62-I234 HydrophobicContact CD1-CD1 3.78Å; I62-I234 HydrophobicContact CG2-CD1 4.47Å; I62-V252 HydrophobicContact CD1-CG1 4.09Å; I62-M253 HydrophobicContact CD1-CE 3.36Å; I62-M253 HydrophobicContact CG1-CE 3.71Å; I62-I268 WeakPolarHBondContact CA-O 3.23Å; I62-I268 HydrophobicContact CD1-CG2 4.39Å; I62-I268 HydrophobicContact CG1-CB 4.34Å; I62-I268 HydrophobicContact CG1-CG2 3.85Å; I62-I268 HydrophobicContact CG2-CG2 4.36Å; I62-A270 HydrophobicContact CG2-CB 3.67Å
63R95.4Very high93Very high81 Ų8143.9 Ų43.931%0.30621%0.214SC..EExtended strand (participates in β ladder)trans-80.8127.1175.9-172.2177.7-178.1-163.31.9110.4Y65 G84 D107 I268 I269 A270R63-Y65 HydrophobicContact CB-CE2 4.43Å; R63-Y65 HydrophobicContact CG-CE2 4.1Å; R63-Y65 PolarHBondContact NH1-OH 3.43Å; R63-G84 PolarHBondContact NH2-O 2.86Å; R63-D107 IonicContact CZ-OD1 3.21Å; R63-D107 IonicContact CZ-OD2 3.84Å; R63-D107 IonicContact NH1-OD1 2.69Å; R63-D107 PolarHBondContact NH1-OD1 2.94Å; R63-D107 IonicContact NH1-OD2 3.98Å; R63-D107 IonicContact NH2-OD1 2.96Å; R63-D107 PolarHBondContact NH2-OD1 2.96Å; R63-D107 IonicContact NH2-OD2 2.84Å; R63-D107 PolarHBondContact NH2-OD2 2.96Å; R63-I268 PolarHBondContact N-O 2.95Å; R63-I268 VanDerWaalsContact N-O 3.11Å; R63-I269 HydrophobicContact CB-CG2 4.43Å; R63-I269 WeakPolarHBondContact O-CA 3.45Å; R63-A270 PolarHBondContact O-N 2.96Å; R63-A270 VanDerWaalsContact O-N 3.14Å
64P96.6Very high93Very high1 Ų141.2 Ų41.21%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-79.1134.7176.631.2-31.8000111.2W55 G86 P272 F276W55-P64 HydrophobicContact CD2-CB 4.29Å; W55-P64 HydrophobicContact CG-CB 4.5Å; W55-P64 HydrophobicContact CG-CG 4.4Å; W55-P64 HydrophobicContact CZ2-CB 4.28Å; P64-G86 PolarHBondContact O-N 2.96Å; P64-P272 HydrophobicContact CB-CG 3.7Å; P64-F276 HydrophobicContact CB-CE2 4.16Å; P64-F276 HydrophobicContact CB-CZ 4.21Å; P64-F276 HydrophobicContact CG-CZ 4.41Å
65Y97.5Very high92.9Very high16 Ų1636.6 Ų36.66%0.06318%0.181CC..EExtended strand (participates in β ladder)trans-113.7105.3167.3-78.6-111.9000109.2R63 A67 G86 T88 D107 I109 I269 A270 E271R63-Y65 HydrophobicContact CB-CE2 4.43Å; R63-Y65 HydrophobicContact CG-CE2 4.1Å; R63-Y65 PolarHBondContact NH1-OH 3.43Å; Y65-A67 PolarHBondContact O-N 3.48Å; Y65-G86 CarbonylContact C-O 3.45Å; Y65-G86 WeakPolarHBondContact CA-O 3.31Å; Y65-T88 HydrophobicContact CD1-CG2 4.42Å; Y65-T88 HydrophobicContact CG-CG2 4.4Å; Y65-D107 WeakPolarHBondContact CE1-O 3.36Å; Y65-I109 HydrophobicContact CD1-CD1 3.57Å; Y65-I109 HydrophobicContact CD1-CG1 3.76Å; Y65-I109 HydrophobicContact CE1-CD1 3.81Å; Y65-I109 HydrophobicContact CE1-CG1 3.86Å; Y65-I109 HydrophobicContact CG-CD1 4.01Å; Y65-I269 HydrophobicContact CD2-CB 3.86Å; Y65-I269 HydrophobicContact CD2-CD1 4.17Å; Y65-I269 HydrophobicContact CD2-CG2 4.05Å; Y65-I269 HydrophobicContact CE2-CB 3.95Å; Y65-I269 HydrophobicContact CE2-CD1 4.23Å; Y65-I269 HydrophobicContact CE2-CG2 3.59Å; Y65-A270 PolarHBondContact N-O 3.04Å; Y65-E271 VanDerWaalsContact O-CA 3.24Å; Y65-E271 WeakPolarHBondContact O-CA 3.33Å
66Y97.1Very high92.9Very high0 Ų036.6 Ų36.60%018%0.181CC..EExtended strand (participates in β ladder)trans-64.5126.7-174.1177.8-111.7000112.4V68 N71 V76 L80 G86 F87 T88 P272 F276 V277Y66-V68 HydrophobicContact CD1-CG2 4.31Å; Y66-V68 PolarHBondContact O-N 3.06Å; Y66-N71 WeakPolarHBondContact CE1-O 3.26Å; Y66-N71 WeakPolarHBondContact OH-CA 3.32Å; Y66-N71 WeakPolarHBondContact OH-CB 3.41Å; Y66-N71 PolarHBondContact OH-N 2.9Å; Y66-N71 VanDerWaalsContact OH-N 3.1Å; Y66-N71 PolarHBondContact OH-O 3.48Å; Y66-V76 HydrophobicContact CE1-CG1 4.19Å; Y66-L80 HydrophobicContact CD1-CD1 3.76Å; Y66-L80 HydrophobicContact CD2-CD1 3.52Å; Y66-L80 HydrophobicContact CE1-CD1 4.2Å; Y66-L80 HydrophobicContact CE2-CD1 3.98Å; Y66-L80 HydrophobicContact CG-CD1 3.4Å; Y66-G86 PolarHBondContact N-O 2.94Å; Y66-F87 AromaticContact CD1-CD1 4Å; Y66-F87 HydrophobicContact CD1-CD1 4Å; Y66-F87 AromaticContact CD1-CE1 3.96Å; Y66-F87 HydrophobicContact CD1-CE1 3.96Å; Y66-F87 WeakPolarHBondContact O-CA 3.37Å; Y66-T88 PolarHBondContact O-N 3.46Å; Y66-P272 WeakPolarHBondContact CA-O 3.26Å; Y66-P272 WeakPolarHBondContact CD2-O 3.37Å; Y66-F276 HydrophobicContact CD2-CB 4.4Å; Y66-F276 AromaticContact CD2-CD2 3.87Å; Y66-F276 HydrophobicContact CD2-CD2 3.87Å; Y66-F276 HydrophobicContact CE2-CB 4.25Å; Y66-F276 HydrophobicContact CE2-CD2 4.49Å; Y66-V277 HydrophobicContact CE2-CG1 4.06Å; Y66-V277 WeakPolarHBondContact OH-CG1 3.39Å
67A93.9Very high92.9Very high12 Ų1230.6 Ų30.610%0.09916%0.158CC..EExtended strand (participates in β ladder)trans-78.699176.400000111.5Y65 R69 C70 T88 P272Y65-A67 PolarHBondContact O-N 3.48Å; A67-R69 PolarHBondContact O-N 2.91Å; A67-R69 VanDerWaalsContact O-N 3.16Å; A67-C70 WeakPolarHBondContact O-CB 3.25Å; A67-C70 PolarHBondContact O-N 2.87Å; A67-T88 WeakPolarHBondContact CA-OG1 3.35Å; A67-P272 PolarHBondContact N-O 2.96Å
68V94.1Very high92.9Very high0 Ų026.4 Ų26.40%013%0.132CC..G310 helixtrans-60-31.9-172.8-177.80000112.9Y66 C70 N71 S72 I77 F87 T88 E94 V98Y66-V68 HydrophobicContact CD1-CG2 4.31Å; Y66-V68 PolarHBondContact O-N 3.06Å; V68-C70 PolarHBondContact O-N 3.34Å; V68-C70 VanDerWaalsContact O-N 3.08Å; V68-N71 CarbonylContact O-C 3.58Å; V68-N71 PolarHBondContact O-N 3.1Å; V68-S72 PolarHBondContact O-N 3.16Å; V68-I77 HydrophobicContact CG1-CD1 4.06Å; V68-F87 HydrophobicContact CG2-CB 4.29Å; V68-F87 HydrophobicContact CG2-CD1 3.84Å; V68-T88 PolarHBondContact N-O 2.83Å; V68-T88 VanDerWaalsContact N-O 3.12Å; V68-E94 HydrophobicContact CB-CB 4.37Å; V68-E94 HydrophobicContact CB-CG 4.25Å; V68-E94 HydrophobicContact CG1-CB 4.06Å; V68-E94 HydrophobicContact CG1-CG 3.8Å; V68-V98 HydrophobicContact CG2-CG2 3.72Å
69R89.8Confident92.9Very high129 Ų12925 Ų2549%0.48713%0.126SC..G310 helixtrans-56.8-24.6175.2-160.1-159.9-40.5136.815113.2A67 S90 E94A67-R69 PolarHBondContact O-N 2.91Å; A67-R69 VanDerWaalsContact O-N 3.16Å; R69-S90 PolarHBondContact NE-OG 3.44Å; R69-E94 WeakPolarHBondContact CA-OE1 3.04Å
70C89.7Confident92.9Very high2 Ų224.9 Ų24.91%0.01413%0.125CC..G310 helixtrans-69.9-46.1179.2-171.20000111.3A67 V68 G273 S274 A387 Y388A67-C70 WeakPolarHBondContact O-CB 3.25Å; A67-C70 PolarHBondContact O-N 2.87Å; V68-C70 PolarHBondContact O-N 3.34Å; V68-C70 VanDerWaalsContact O-N 3.08Å; C70-G273 VanDerWaalsContact SG-C 3.52Å; C70-S274 PolarHBondContact SG-N 3.19Å; C70-A387 VanDerWaalsContact SG-CB 3.53Å; C70-Y388 HydrophobicContact CB-CE1 4.01Å; C70-Y388 PolarHBondContact O-N 3.37Å
71N92Very high93Very high1 Ų122 Ų221%0.00511%0.109CC..  trans-155114.6172.9-174.1-41.4000108.7Y66 V68 S73 V277 F281 G386 L390Y66-N71 WeakPolarHBondContact CE1-O 3.26Å; Y66-N71 WeakPolarHBondContact OH-CA 3.32Å; Y66-N71 WeakPolarHBondContact OH-CB 3.41Å; Y66-N71 PolarHBondContact OH-N 2.9Å; Y66-N71 VanDerWaalsContact OH-N 3.1Å; Y66-N71 PolarHBondContact OH-O 3.48Å; V68-N71 CarbonylContact O-C 3.58Å; V68-N71 PolarHBondContact O-N 3.1Å; N71-S73 VanDerWaalsContact C-N 3.28Å; N71-S73 PolarHBondContact O-N 3.01Å; N71-S73 WeakPolarHBondContact OD1-CB 3.35Å; N71-S73 PolarHBondContact OD1-N 3.39Å; N71-V277 HydrophobicContact CB-CB 4.2Å; N71-V277 HydrophobicContact CB-CG1 4.16Å; N71-V277 HydrophobicContact CB-CG2 3.92Å; N71-F281 WeakPolarHBondContact ND2-CE2 3.24Å; N71-F281 VanDerWaalsContact ND2-CZ 3.32Å; N71-F281 WeakPolarHBondContact ND2-CZ 3.45Å; N71-G386 WeakPolarHBondContact CB-O 3.28Å; N71-G386 PolarHBondContact ND2-O 3.32Å; N71-L390 WeakPolarHBondContact ND2-CD1 3.39Å; N71-L390 WeakPolarHBondContact OD1-CD1 3.49Å
72S91.6Very high92.8Very high52 Ų5217.4 Ų17.436%0.3649%0.089SC..  trans-92.619.3-177.262.50000113V68 P74 L97V68-S72 PolarHBondContact O-N 3.16Å; S72-P74 VanDerWaalsContact O-CD 3.31Å; S72-P74 WeakPolarHBondContact O-CD 3.39Å; S72-L97 WeakPolarHBondContact O-CD2 3.35Å
73S92Very high92.6Very high5 Ų518.3 Ų18.34%0.0359%0.093CC..  trans-56.6122.8173.51670000110.2N71 A75 V76 I77 Y407N71-S73 VanDerWaalsContact C-N 3.28Å; N71-S73 PolarHBondContact O-N 3.01Å; N71-S73 WeakPolarHBondContact OD1-CB 3.35Å; N71-S73 PolarHBondContact OD1-N 3.39Å; S73-A75 VanDerWaalsContact C-N 3.25Å; S73-A75 PolarHBondContact O-N 3.48Å; S73-A75 PolarHBondContact OG-N 3.22Å; S73-V76 WeakPolarHBondContact O-CB 3.47Å; S73-V76 PolarHBondContact O-N 3.25Å; S73-V76 VanDerWaalsContact O-N 3.1Å; S73-I77 PolarHBondContact O-N 2.83Å; S73-I77 VanDerWaalsContact O-N 3.13Å; S73-Y407 PolarHBondContact OG-OH 3.25Å
74P90.4Very high92.3Very high21 Ų2115.8 Ų15.814%0.1369%0.093CC..Hα-helixtrans-58.3-37177.6-29.940.3000112.9Y10 S72 V76 I77 E78 L97Y10-P74 HydrophobicContact CD2-CB 4.31Å; Y10-P74 HydrophobicContact CE2-CB 3.44Å; Y10-P74 VanDerWaalsContact CE2-CB 3.44Å; Y10-P74 HydrophobicContact CE2-CG 4.08Å; Y10-P74 WeakPolarHBondContact OH-CG 3.28Å; S72-P74 VanDerWaalsContact O-CD 3.31Å; S72-P74 WeakPolarHBondContact O-CD 3.39Å; P74-V76 VanDerWaalsContact C-N 3.34Å; P74-V76 PolarHBondContact O-N 2.95Å; P74-I77 PolarHBondContact O-N 2.83Å; P74-E78 PolarHBondContact O-N 3.24Å; P74-L97 HydrophobicContact CG-CD1 4.12Å
75A91.4Very high92.2Very high0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-61.5-40.9175.800000112.3S73 E78 V79 Y407 F433S73-A75 VanDerWaalsContact C-N 3.25Å; S73-A75 PolarHBondContact O-N 3.48Å; S73-A75 PolarHBondContact OG-N 3.22Å; A75-E78 PolarHBondContact O-N 3.27Å; A75-V79 WeakPolarHBondContact O-CG2 3.42Å; A75-V79 PolarHBondContact O-N 3.46Å; A75-Y407 HydrophobicContact CB-CD1 3.88Å; A75-Y407 HydrophobicContact CB-CD2 4.26Å; A75-Y407 HydrophobicContact CB-CE1 3.55Å; A75-Y407 HydrophobicContact CB-CE2 3.96Å; A75-Y407 HydrophobicContact CB-CG 4.23Å; A75-F433 HydrophobicContact CB-CE1 3.7Å; A75-F433 HydrophobicContact CB-CZ 4.03Å
76V93.4Very high92.2Very high0 Ų015.2 Ų15.20%09%0.091CC..Hα-helixtrans-64.1-43.9175.9173.30000110.8I48 Y66 S73 P74 V79 L80 V277 F281I48-V76 HydrophobicContact CD1-CB 4.38Å; I48-V76 HydrophobicContact CD1-CG1 4.23Å; I48-V76 HydrophobicContact CD1-CG2 3.75Å; Y66-V76 HydrophobicContact CE1-CG1 4.19Å; S73-V76 WeakPolarHBondContact O-CB 3.47Å; S73-V76 PolarHBondContact O-N 3.25Å; S73-V76 VanDerWaalsContact O-N 3.1Å; P74-V76 VanDerWaalsContact C-N 3.34Å; P74-V76 PolarHBondContact O-N 2.95Å; V76-V79 PolarHBondContact O-N 2.94Å; V76-L80 HydrophobicContact CG1-CD1 3.76Å; V76-L80 HydrophobicContact CG1-CG 4.42Å; V76-L80 WeakPolarHBondContact O-CB 3.3Å; V76-L80 WeakPolarHBondContact O-CG 3.45Å; V76-L80 PolarHBondContact O-N 2.75Å; V76-V277 HydrophobicContact CG1-CG1 3.68Å; V76-V277 HydrophobicContact CG2-CG1 4.39Å; V76-F281 HydrophobicContact CG2-CE2 4Å; V76-F281 HydrophobicContact CG2-CZ 3.74Å
77I93.5Very high92.2Very high0 Ų015.2 Ų15.20%09%0.091CC..Hα-helixtrans-62.3-46178.8-66.6170.6000110.5V68 S73 P74 L80 A81 F87 L97 V98 H101 I103V68-I77 HydrophobicContact CG1-CD1 4.06Å; S73-I77 PolarHBondContact O-N 2.83Å; S73-I77 VanDerWaalsContact O-N 3.13Å; P74-I77 PolarHBondContact O-N 2.83Å; I77-L80 PolarHBondContact O-N 3.01Å; I77-A81 WeakPolarHBondContact O-CB 3.36Å; I77-A81 PolarHBondContact O-N 3.03Å; I77-F87 HydrophobicContact CB-CE1 4.23Å; I77-F87 HydrophobicContact CG1-CE1 4.22Å; I77-F87 HydrophobicContact CG2-CE1 3.84Å; I77-F87 HydrophobicContact CG2-CZ 3.99Å; I77-F87 WeakPolarHBondContact O-CZ 3.47Å; I77-L97 HydrophobicContact CD1-CD1 4.49Å; I77-L97 HydrophobicContact CD1-CD2 3.35Å; I77-L97 HydrophobicContact CD1-CG 3.62Å; I77-V98 HydrophobicContact CD1-CG2 4.45Å; I77-V98 HydrophobicContact CG2-CG2 4.5Å; I77-H101 HydrophobicContact CG2-CB 4.36Å; I77-I103 HydrophobicContact CG2-CD1 4.01Å
78E91.4Very high92.3Very high5 Ų514.8 Ų14.82%0.0239%0.087CC..Hα-helixtrans-62.6-44.8179.6-167.5162.116500112P74 A75 A81 A82 H101 T429 M430 K431 N432 F433P74-E78 PolarHBondContact O-N 3.24Å; A75-E78 PolarHBondContact O-N 3.27Å; E78-A81 PolarHBondContact O-N 3.41Å; E78-A82 WeakPolarHBondContact O-CB 3.24Å; E78-A82 PolarHBondContact O-N 2.87Å; E78-H101 IonicContact OE2-CD2 3.83Å; E78-T429 WeakPolarHBondContact CG-O 3.26Å; E78-M430 WeakPolarHBondContact OE1-CA 3.47Å; E78-K431 PolarHBondContact OE1-N 2.71Å; E78-N432 PolarHBondContact OE1-N 2.97Å; E78-N432 VanDerWaalsContact OE2-CB 3.25Å; E78-N432 WeakPolarHBondContact OE2-CB 3.39Å; E78-N432 PolarHBondContact OE2-ND2 2.93Å; E78-F433 HydrophobicContact CB-CE2 3.99Å; E78-F433 HydrophobicContact CB-CZ 4.03Å; E78-F433 HydrophobicContact CG-CD2 4.4Å; E78-F433 HydrophobicContact CG-CE2 3.75Å; E78-F433 HydrophobicContact CG-CZ 4.28Å
79V91.9Very high92.4Very high1 Ų114.8 Ų14.81%0.0069%0.087CC..Hα-helixtrans-61.7-49.4175.4171.30000111.3L45 I48 M49 A75 V76 A81 A82 L83 M417 F433L45-V79 HydrophobicContact CD1-CG2 4.24Å; I48-V79 HydrophobicContact CG2-CG1 4.32Å; M49-V79 HydrophobicContact CG-CG1 4.35Å; A75-V79 WeakPolarHBondContact O-CG2 3.42Å; A75-V79 PolarHBondContact O-N 3.46Å; V76-V79 PolarHBondContact O-N 2.94Å; V79-A81 VanDerWaalsContact C-N 3.32Å; V79-A81 PolarHBondContact O-N 3.39Å; V79-A82 PolarHBondContact O-N 2.98Å; V79-L83 HydrophobicContact CG1-CD1 3.9Å; V79-L83 VanDerWaalsContact O-CG 3.27Å; V79-L83 WeakPolarHBondContact O-CG 3.22Å; V79-L83 PolarHBondContact O-N 2.81Å; V79-M417 HydrophobicContact CG1-SD 4.28Å; V79-F433 HydrophobicContact CG2-CE2 4.04Å; V79-F433 HydrophobicContact CG2-CZ 3.87Å
80L93.6Very high92.5Very high0 Ų09.7 Ų9.70%07%0.071CC..Hα-helixtrans-68.2-31.5-178.1-72.4173.7000113I48 Y66 V76 I77 L83 G84 S85 F87 F276I48-L80 HydrophobicContact CG2-CD2 3.67Å; I48-L80 HydrophobicContact CG2-CG 4Å; Y66-L80 HydrophobicContact CD1-CD1 3.76Å; Y66-L80 HydrophobicContact CD2-CD1 3.52Å; Y66-L80 HydrophobicContact CE1-CD1 4.2Å; Y66-L80 HydrophobicContact CE2-CD1 3.98Å; Y66-L80 HydrophobicContact CG-CD1 3.4Å; V76-L80 HydrophobicContact CG1-CD1 3.76Å; V76-L80 HydrophobicContact CG1-CG 4.42Å; V76-L80 WeakPolarHBondContact O-CB 3.3Å; V76-L80 WeakPolarHBondContact O-CG 3.45Å; V76-L80 PolarHBondContact O-N 2.75Å; I77-L80 PolarHBondContact O-N 3.01Å; L80-L83 PolarHBondContact O-N 2.93Å; L80-G84 PolarHBondContact O-N 3.46Å; L80-S85 VanDerWaalsContact O-CB 3.3Å; L80-S85 WeakPolarHBondContact O-CB 3.46Å; L80-S85 PolarHBondContact O-N 3.45Å; L80-S85 PolarHBondContact O-OG 3.18Å; L80-F87 HydrophobicContact CB-CE1 4.32Å; L80-F87 HydrophobicContact CB-CZ 4.04Å; L80-F276 HydrophobicContact CD1-CG 4.44Å; L80-F276 HydrophobicContact CD2-CD1 3.76Å; L80-F276 HydrophobicContact CD2-CD2 4.41Å; L80-F276 HydrophobicContact CD2-CE1 3.83Å; L80-F276 HydrophobicContact CD2-CE2 4.42Å; L80-F276 HydrophobicContact CD2-CG 4.07Å; L80-F276 HydrophobicContact CD2-CZ 4.17Å
81A91.9Very high92.5Very high29 Ų2912.1 Ų12.124%0.248%0.084CC..Hα-helixtrans-67.5-44.2174.400000111.1I77 E78 V79 L83 G84 F87 I103I77-A81 WeakPolarHBondContact O-CB 3.36Å; I77-A81 PolarHBondContact O-N 3.03Å; E78-A81 PolarHBondContact O-N 3.41Å; V79-A81 VanDerWaalsContact C-N 3.32Å; V79-A81 PolarHBondContact O-N 3.39Å; A81-L83 VanDerWaalsContact C-N 3.25Å; A81-L83 PolarHBondContact O-N 3.4Å; A81-G84 PolarHBondContact O-N 3.2Å; A81-F87 HydrophobicContact CB-CE2 3.87Å; A81-F87 HydrophobicContact CB-CZ 3.9Å; A81-I103 HydrophobicContact CB-CD1 3.98Å; A81-I103 HydrophobicContact CB-CG1 3.9Å
82A88Confident92.5Very high6 Ų615 Ų155%0.0510%0.096CC..Hα-helixtrans-61.2-35174.100000112.2E78 V79 G84 M430E78-A82 WeakPolarHBondContact O-CB 3.24Å; E78-A82 PolarHBondContact O-N 2.87Å; V79-A82 PolarHBondContact O-N 2.98Å; A82-G84 PolarHBondContact O-N 3.37Å; A82-M430 HydrophobicContact CB-CE 3.54Å; A82-M430 HydrophobicContact CB-CG 4.35Å
83L88.8Confident92.5Very high23 Ų2316 Ų1612%0.1210%0.104CC..THydrogen-bonded Turntrans-75.60.6174.3-63.2169.5000113.8M49 H52 V79 L80 A81M49-L83 HydrophobicContact CG-CD1 4.39Å; H52-L83 HydrophobicContact CB-CD1 3.79Å; H52-L83 PolarHBondContact CE1-O 2.94Å; H52-L83 PolarHBondContact NE2-O 3.41Å; V79-L83 HydrophobicContact CG1-CD1 3.9Å; V79-L83 VanDerWaalsContact O-CG 3.27Å; V79-L83 WeakPolarHBondContact O-CG 3.22Å; V79-L83 PolarHBondContact O-N 2.81Å; L80-L83 PolarHBondContact O-N 2.93Å; A81-L83 VanDerWaalsContact C-N 3.25Å; A81-L83 PolarHBondContact O-N 3.4Å
84G89.5Confident92.6Very high29 Ų2916.5 Ų16.530%0.29911%0.106SC..THydrogen-bonded Turntrans78.918.1175.300000115.4R63 L80 A81 A82R63-G84 PolarHBondContact NH2-O 2.86Å; L80-G84 PolarHBondContact O-N 3.46Å; A81-G84 PolarHBondContact O-N 3.2Å; A82-G84 PolarHBondContact O-N 3.37Å
85S94.3Very high92.8Very high4 Ų415.5 Ų15.53%0.02810%0.099CC..  trans-70.7146174.2-50.50000110.6L80 F87L80-S85 VanDerWaalsContact O-CB 3.3Å; L80-S85 WeakPolarHBondContact O-CB 3.46Å; L80-S85 PolarHBondContact O-N 3.45Å; L80-S85 PolarHBondContact O-OG 3.18Å; S85-F87 WeakPolarHBondContact O-CE2 3.36Å
86G97Very high92.9Very high0 Ų019.2 Ų19.20%012%0.116CC..EExtended strand (participates in β ladder)trans-78.8179.5165.200000111.1P64 Y65 Y66 D107P64-G86 PolarHBondContact O-N 2.96Å; Y65-G86 CarbonylContact C-O 3.45Å; Y65-G86 WeakPolarHBondContact CA-O 3.31Å; Y66-G86 PolarHBondContact N-O 2.94Å; G86-D107 CarbonylContact C-O 3.54Å; G86-D107 WeakPolarHBondContact CA-O 3.08Å
87F97.6Very high92.8Very high0 Ų021 Ų210%013%0.126CC..EExtended strand (participates in β ladder)trans-136.1138.5-179.6-67.3-89.9000111.9Y66 V68 I77 L80 A81 S85 V98 I103 D107 I108 I109Y66-F87 AromaticContact CD1-CD1 4Å; Y66-F87 HydrophobicContact CD1-CD1 4Å; Y66-F87 AromaticContact CD1-CE1 3.96Å; Y66-F87 HydrophobicContact CD1-CE1 3.96Å; Y66-F87 WeakPolarHBondContact O-CA 3.37Å; V68-F87 HydrophobicContact CG2-CB 4.29Å; V68-F87 HydrophobicContact CG2-CD1 3.84Å; I77-F87 HydrophobicContact CB-CE1 4.23Å; I77-F87 HydrophobicContact CG1-CE1 4.22Å; I77-F87 HydrophobicContact CG2-CE1 3.84Å; I77-F87 HydrophobicContact CG2-CZ 3.99Å; I77-F87 WeakPolarHBondContact O-CZ 3.47Å; L80-F87 HydrophobicContact CB-CE1 4.32Å; L80-F87 HydrophobicContact CB-CZ 4.04Å; A81-F87 HydrophobicContact CB-CE2 3.87Å; A81-F87 HydrophobicContact CB-CZ 3.9Å; S85-F87 WeakPolarHBondContact O-CE2 3.36Å; F87-V98 HydrophobicContact CB-CG1 3.95Å; F87-V98 HydrophobicContact CB-CG2 4.14Å; F87-V98 HydrophobicContact CD1-CG2 4.15Å; F87-V98 HydrophobicContact CD2-CG1 4.14Å; F87-V98 HydrophobicContact CG-CG1 4Å; F87-V98 HydrophobicContact CG-CG2 4.16Å; F87-I103 HydrophobicContact CD2-CG1 3.91Å; F87-I103 HydrophobicContact CD2-CG2 3.89Å; F87-I103 HydrophobicContact CE2-CD1 4.24Å; F87-I103 HydrophobicContact CE2-CG1 3.67Å; F87-I103 HydrophobicContact CE2-CG2 4.38Å; F87-I103 HydrophobicContact CZ-CG1 4.5Å; F87-D107 PolarHBondContact N-O 3.32Å; F87-I108 WeakPolarHBondContact O-CA 3.33Å; F87-I109 PolarHBondContact O-N 3.5Å
88T96.2Very high92.8Very high3 Ų321 Ų212%0.01813%0.126CC..EExtended strand (participates in β ladder)trans-111.7124.5170.2720000110.4Y65 Y66 A67 V68 I109 E271Y65-T88 HydrophobicContact CD1-CG2 4.42Å; Y65-T88 HydrophobicContact CG-CG2 4.4Å; Y66-T88 PolarHBondContact O-N 3.46Å; A67-T88 WeakPolarHBondContact CA-OG1 3.35Å; V68-T88 PolarHBondContact N-O 2.83Å; V68-T88 VanDerWaalsContact N-O 3.12Å; T88-I109 WeakPolarHBondContact CA-O 3.48Å; T88-I109 HydrophobicContact CG2-CB 3.92Å; T88-I109 HydrophobicContact CG2-CD1 4.21Å; T88-I109 HydrophobicContact CG2-CG1 4.41Å; T88-E271 HydrophobicContact CG2-CB 4.45Å; T88-E271 HydrophobicContact CG2-CG 3.71Å; T88-E271 WeakPolarHBondContact CG2-OE1 3.35Å
89C95.5Very high92.9Very high0 Ų022.7 Ų22.70%013%0.134CC..EExtended strand (participates in β ladder)trans-117.1134.1-176.6-59.50000109.9E94 L95 I109 Y110 S111C89-E94 WeakPolarHBondContact CA-OE2 3.37Å; C89-E94 HydrophobicContact CB-CB 3.86Å; C89-L95 HydrophobicContact CB-CD2 3.5Å; C89-L95 HydrophobicContact CB-CG 3.81Å; C89-I109 PolarHBondContact N-O 3.16Å; C89-Y110 CarbonylContact O-C 3.02Å; C89-Y110 WeakPolarHBondContact O-CA 3.39Å; C89-Y110 WeakPolarHBondContact O-CD2 3.43Å; C89-S111 PolarHBondContact O-N 2.71Å; C89-S111 PolarHBondContact O-OG 3.42Å
90S91.8Very high92.8Very high22 Ų2226.8 Ų26.815%0.15416%0.162CC..SBendtrans-99.2-21.9-177.465.60000113.5R69 E94 G112R69-S90 PolarHBondContact NE-OG 3.44Å; S90-E94 PolarHBondContact N-OE2 3.48Å; S90-E94 PolarHBondContact OG-OE1 3.38Å; S90-E94 PolarHBondContact OG-OE2 3.37Å; S90-G112 WeakPolarHBondContact O-CA 3.23Å
91N91.4Very high92.6Very high53 Ų5328.4 Ų28.428%0.28317%0.17SC..SBendtrans-139.6173.5-17964.763.9000112.1S93 E94 L95N91-S93 WeakPolarHBondContact OD1-CB 3.39Å; N91-S93 PolarHBondContact OD1-N 3.48Å; N91-E94 PolarHBondContact ND2-OE1 2.95Å; N91-E94 WeakPolarHBondContact OD1-CG 3.45Å; N91-E94 PolarHBondContact OD1-N 2.98Å; N91-L95 WeakPolarHBondContact O-CG 3.03Å; N91-L95 PolarHBondContact O-N 2.6Å
92K91.9Very high92.5Very high61 Ų6130.1 Ų30.127%0.26519%0.19SC..Hα-helixtrans-68.4-35.8-176.7179170.9174.5-74.20113.3L95 E96 Y122K92-L95 WeakPolarHBondContact O-CB 3.38Å; K92-L95 PolarHBondContact O-N 3.36Å; K92-E96 WeakPolarHBondContact CE-OE1 3.34Å; K92-E96 IonicContact NZ-OE1 3.97Å; K92-E96 PolarHBondContact NZ-OE1 3.07Å; K92-E96 IonicContact NZ-OE2 3.48Å; K92-E96 PolarHBondContact NZ-OE2 3.03Å; K92-E96 PolarHBondContact O-N 2.91Å; K92-Y122 HydrophobicContact CD-CD2 4.37Å; K92-Y122 HydrophobicContact CD-CG 4.37Å; K92-Y122 HydrophobicContact CG-CG 4.43Å
93S91.6Very high92.7Very high74 Ų7430.5 Ų30.552%0.51719%0.191SC..Hα-helixtrans-65.3-41.1179.6-51.30000111.1N91 E96 L97N91-S93 WeakPolarHBondContact OD1-CB 3.39Å; N91-S93 PolarHBondContact OD1-N 3.48Å; S93-E96 PolarHBondContact O-N 3.46Å; S93-L97 WeakPolarHBondContact O-CB 3.32Å; S93-L97 PolarHBondContact O-N 3.41Å
94E93.7Very high92.9Very high16 Ų1632 Ų328%0.07520%0.202CC..Hα-helixtrans-63.3-40173.6-70171.2-166.500111.9V68 R69 C89 S90 N91 L97 V98V68-E94 HydrophobicContact CB-CB 4.37Å; V68-E94 HydrophobicContact CB-CG 4.25Å; V68-E94 HydrophobicContact CG1-CB 4.06Å; V68-E94 HydrophobicContact CG1-CG 3.8Å; R69-E94 WeakPolarHBondContact CA-OE1 3.04Å; C89-E94 WeakPolarHBondContact CA-OE2 3.37Å; C89-E94 HydrophobicContact CB-CB 3.86Å; S90-E94 PolarHBondContact N-OE2 3.48Å; S90-E94 PolarHBondContact OG-OE1 3.38Å; S90-E94 PolarHBondContact OG-OE2 3.37Å; N91-E94 PolarHBondContact ND2-OE1 2.95Å; N91-E94 WeakPolarHBondContact OD1-CG 3.45Å; N91-E94 PolarHBondContact OD1-N 2.98Å; E94-L97 PolarHBondContact O-N 3.05Å; E94-V98 WeakPolarHBondContact O-CG2 3.43Å; E94-V98 PolarHBondContact O-N 2.99Å
95L94Very high93.1Very high0 Ų032 Ų320%020%0.197CC..Hα-helixtrans-62.6-45.6174-71173.7000111.9C89 N91 K92 L97 V98 Q99 I108 Y110 Y122 T123 I128C89-L95 HydrophobicContact CB-CD2 3.5Å; C89-L95 HydrophobicContact CB-CG 3.81Å; N91-L95 WeakPolarHBondContact O-CG 3.03Å; N91-L95 PolarHBondContact O-N 2.6Å; K92-L95 WeakPolarHBondContact O-CB 3.38Å; K92-L95 PolarHBondContact O-N 3.36Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 2.78Å; L95-V98 PolarHBondContact O-N 3.19Å; L95-Q99 WeakPolarHBondContact O-CB 3.44Å; L95-Q99 VanDerWaalsContact O-CG 3.3Å; L95-Q99 WeakPolarHBondContact O-CG 3.46Å; L95-Q99 PolarHBondContact O-N 3.38Å; L95-I108 HydrophobicContact CD2-CG2 3.6Å; L95-Y110 HydrophobicContact CD1-CD2 3.67Å; L95-Y110 HydrophobicContact CD1-CE2 3.91Å; L95-Y110 HydrophobicContact CD1-CG 4.24Å; L95-Y110 HydrophobicContact CD2-CD2 4.29Å; L95-Y110 HydrophobicContact CG-CD2 4.13Å; L95-Y122 HydrophobicContact CB-CE1 3.96Å; L95-Y122 HydrophobicContact CD1-CD1 4.15Å; L95-Y122 HydrophobicContact CD1-CE1 4.37Å; L95-T123 HydrophobicContact CD1-CG2 3.6Å; L95-I128 HydrophobicContact CD1-CD1 4.42Å; L95-I128 HydrophobicContact CD2-CD1 3.76Å
96E93.9Very high93.1Very high78 Ų7838.5 Ų38.536%0.36423%0.227SC..Hα-helixtrans-61.5-40.6177.7-79.1173158.700111.5K92 S93 S100 Y122K92-E96 WeakPolarHBondContact CE-OE1 3.34Å; K92-E96 IonicContact NZ-OE1 3.97Å; K92-E96 PolarHBondContact NZ-OE1 3.07Å; K92-E96 IonicContact NZ-OE2 3.48Å; K92-E96 PolarHBondContact NZ-OE2 3.03Å; K92-E96 PolarHBondContact O-N 2.91Å; S93-E96 PolarHBondContact O-N 3.46Å; E96-S100 WeakPolarHBondContact O-CB 3.27Å; E96-S100 PolarHBondContact O-N 3.17Å; E96-Y122 HydrophobicContact CG-CE1 4.36Å; E96-Y122 HydrophobicContact CG-CE2 3.96Å; E96-Y122 WeakPolarHBondContact CG-OH 3.45Å
97L91.8Very high93.1Very high37 Ų3739.9 Ų39.919%0.19424%0.235CC..Hα-helixtrans-65.9-47177.9177.663.1000112.7S72 P74 I77 S93 E94 L95 S100 H101S72-L97 WeakPolarHBondContact O-CD2 3.35Å; P74-L97 HydrophobicContact CG-CD1 4.12Å; I77-L97 HydrophobicContact CD1-CD1 4.49Å; I77-L97 HydrophobicContact CD1-CD2 3.35Å; I77-L97 HydrophobicContact CD1-CG 3.62Å; S93-L97 WeakPolarHBondContact O-CB 3.32Å; S93-L97 PolarHBondContact O-N 3.41Å; E94-L97 PolarHBondContact O-N 3.05Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 2.78Å; L97-S100 PolarHBondContact O-N 2.87Å; L97-S100 PolarHBondContact O-OG 2.74Å; L97-H101 PolarHBondContact O-ND1 3.33Å
98V93.9Very high93.1Very high0 Ų039.9 Ų39.90%024%0.235CC..Hα-helixtrans-65.7-42.2178170.10000110.2V68 I77 F87 E94 L95 S100 H101 I103 I108V68-V98 HydrophobicContact CG2-CG2 3.72Å; I77-V98 HydrophobicContact CD1-CG2 4.45Å; I77-V98 HydrophobicContact CG2-CG2 4.5Å; F87-V98 HydrophobicContact CB-CG1 3.95Å; F87-V98 HydrophobicContact CB-CG2 4.14Å; F87-V98 HydrophobicContact CD1-CG2 4.15Å; F87-V98 HydrophobicContact CD2-CG1 4.14Å; F87-V98 HydrophobicContact CG-CG1 4Å; F87-V98 HydrophobicContact CG-CG2 4.16Å; E94-V98 WeakPolarHBondContact O-CG2 3.43Å; E94-V98 PolarHBondContact O-N 2.99Å; L95-V98 PolarHBondContact O-N 3.19Å; V98-S100 VanDerWaalsContact C-N 3.33Å; V98-S100 PolarHBondContact O-N 3.05Å; V98-H101 PolarHBondContact O-N 3.36Å; V98-I103 HydrophobicContact CG1-CB 3.64Å; V98-I103 HydrophobicContact CG1-CD1 3.93Å; V98-I103 HydrophobicContact CG1-CG1 3.94Å; V98-I103 HydrophobicContact CG1-CG2 3.75Å; V98-I103 WeakPolarHBondContact O-CD1 3.49Å; V98-I108 HydrophobicContact CG1-CD1 3.64Å; V98-I108 HydrophobicContact CG1-CG1 3.87Å
99Q92.3Very high93.1Very high41 Ų4139.8 Ų39.819%0.19223%0.234CC..Hα-helixtrans-66.3-32.5176.9-72.3-168.7-25.100113.4L95 H101 G102 I108 Y122 N126L95-Q99 WeakPolarHBondContact O-CB 3.44Å; L95-Q99 VanDerWaalsContact O-CG 3.3Å; L95-Q99 WeakPolarHBondContact O-CG 3.46Å; L95-Q99 PolarHBondContact O-N 3.38Å; Q99-H101 PolarHBondContact O-N 3Å; Q99-G102 PolarHBondContact O-N 2.96Å; Q99-I108 HydrophobicContact CG-CD1 3.95Å; Q99-Y122 PolarHBondContact OE1-OH 2.98Å; Q99-N126 VanDerWaalsContact NE2-CB 3.28Å
100S91.1Very high93.2Very high86 Ų8639.9 Ų39.960%0.60123%0.234SC*.Hα-helixtrans-65.8-22.6177.6740000113E96 L97 V98 G102E96-S100 WeakPolarHBondContact O-CB 3.27Å; E96-S100 PolarHBondContact O-N 3.17Å; L97-S100 PolarHBondContact O-N 2.87Å; L97-S100 PolarHBondContact O-OG 2.74Å; V98-S100 VanDerWaalsContact C-N 3.33Å; V98-S100 PolarHBondContact O-N 3.05Å; S100-G102 VanDerWaalsContact C-N 3.27Å
101H88.9Confident93.3Very high35 Ų3539 Ų3916%0.16223%0.228CC..THydrogen-bonded Turntrans-88.59.1175.1-68.977.1000112.8I77 E78 L97 V98 Q99 I103I77-H101 HydrophobicContact CG2-CB 4.36Å; E78-H101 IonicContact OE2-CD2 3.83Å; L97-H101 PolarHBondContact O-ND1 3.33Å; V98-H101 PolarHBondContact O-N 3.36Å; Q99-H101 PolarHBondContact O-N 3Å; H101-I103 VanDerWaalsContact C-N 3.3Å; H101-I103 HydrophobicContact CB-CD1 3.43Å; H101-I103 VanDerWaalsContact CB-CD1 3.43Å; H101-I103 PolarHBondContact O-N 2.86Å
102G88.9Confident93Very high64 Ų6437 Ų3766%0.6622%0.22SC*.THydrogen-bonded Turntrans74.415.7174.400000114.8Q99 S100Q99-G102 PolarHBondContact O-N 2.96Å; S100-G102 VanDerWaalsContact C-N 3.27Å
103I92.5Very high92.6Very high15 Ų1535.4 Ų35.48%0.07722%0.215CC..  trans-63.2130.8174.4-70.890.9000109.1I77 A81 F87 V98 H101 D107 I108I77-I103 HydrophobicContact CG2-CD1 4.01Å; A81-I103 HydrophobicContact CB-CD1 3.98Å; A81-I103 HydrophobicContact CB-CG1 3.9Å; F87-I103 HydrophobicContact CD2-CG1 3.91Å; F87-I103 HydrophobicContact CD2-CG2 3.89Å; F87-I103 HydrophobicContact CE2-CD1 4.24Å; F87-I103 HydrophobicContact CE2-CG1 3.67Å; F87-I103 HydrophobicContact CE2-CG2 4.38Å; F87-I103 HydrophobicContact CZ-CG1 4.5Å; V98-I103 HydrophobicContact CG1-CB 3.64Å; V98-I103 HydrophobicContact CG1-CD1 3.93Å; V98-I103 HydrophobicContact CG1-CG1 3.94Å; V98-I103 HydrophobicContact CG1-CG2 3.75Å; V98-I103 WeakPolarHBondContact O-CD1 3.49Å; H101-I103 VanDerWaalsContact C-N 3.3Å; H101-I103 HydrophobicContact CB-CD1 3.43Å; H101-I103 VanDerWaalsContact CB-CD1 3.43Å; H101-I103 PolarHBondContact O-N 2.86Å; I103-D107 HydrophobicContact CG2-CB 4.19Å; I103-I108 HydrophobicContact CG2-CD1 4.06Å; I103-I108 HydrophobicContact CG2-CG1 3.76Å
104P92.8Very high92.4Very high55 Ų5536.9 Ų36.936%0.35722%0.224SC..  trans-69.8144.7-179.431-36.5000111.3E106 D107P104-E106 HydrophobicContact CB-CG 4.19Å; P104-E106 HydrophobicContact CG-CG 4.42Å; P104-E106 PolarHBondContact O-N 3.27Å; P104-E106 VanDerWaalsContact O-N 3.16Å; P104-D107 HydrophobicContact CG-CB 4.11Å; P104-D107 PolarHBondContact O-N 3.33Å
105S94.5Very high92.3Very high28 Ų2836.3 Ų36.320%0.19622%0.222CC..G310 helixtrans-63.8-23.8-173.2-61.70000113.8D107 I108 N126 G127S105-D107 PolarHBondContact O-N 3.23Å; S105-I108 PolarHBondContact O-N 3.07Å; S105-N126 PolarHBondContact OG-O 3.32Å; S105-G127 WeakPolarHBondContact CB-O 3.48Å
106E94.3Very high92.3Very high141 Ų14141.8 Ų41.866%0.65925%0.247SC*.G310 helixtrans-66.1-21.3172.957.3-95.5-145.600114.3P104P104-E106 HydrophobicContact CB-CG 4.19Å; P104-E106 HydrophobicContact CG-CG 4.42Å; P104-E106 PolarHBondContact O-N 3.27Å; P104-E106 VanDerWaalsContact O-N 3.16Å
107D95.8Very high92.4Very high29 Ų2941.2 Ų41.216%0.15525%0.249CC..G310 helixtrans-97.511.2179.5-72.7-18.8000112.5R63 Y65 G86 F87 I103 P104 S105R63-D107 IonicContact CZ-OD1 3.21Å; R63-D107 IonicContact CZ-OD2 3.84Å; R63-D107 IonicContact NH1-OD1 2.69Å; R63-D107 PolarHBondContact NH1-OD1 2.94Å; R63-D107 IonicContact NH1-OD2 3.98Å; R63-D107 IonicContact NH2-OD1 2.96Å; R63-D107 PolarHBondContact NH2-OD1 2.96Å; R63-D107 IonicContact NH2-OD2 2.84Å; R63-D107 PolarHBondContact NH2-OD2 2.96Å; Y65-D107 WeakPolarHBondContact CE1-O 3.36Å; G86-D107 CarbonylContact C-O 3.54Å; G86-D107 WeakPolarHBondContact CA-O 3.08Å; F87-D107 PolarHBondContact N-O 3.32Å; I103-D107 HydrophobicContact CG2-CB 4.19Å; P104-D107 HydrophobicContact CG-CB 4.11Å; P104-D107 PolarHBondContact O-N 3.33Å; S105-D107 PolarHBondContact O-N 3.23Å
108I97.7Very high92.6Very high0 Ų042.5 Ų42.50%026%0.261CS..EExtended strand (participates in β ladder)trans-116.1127.2-178.9-55.4176.6000110.5F87 L95 V98 Q99 I103 S105 I128F87-I108 WeakPolarHBondContact O-CA 3.33Å; L95-I108 HydrophobicContact CD2-CG2 3.6Å; V98-I108 HydrophobicContact CG1-CD1 3.64Å; V98-I108 HydrophobicContact CG1-CG1 3.87Å; Q99-I108 HydrophobicContact CG-CD1 3.95Å; I103-I108 HydrophobicContact CG2-CD1 4.06Å; I103-I108 HydrophobicContact CG2-CG1 3.76Å; S105-I108 PolarHBondContact O-N 3.07Å; I108-I128 HydrophobicContact CB-CG2 4.32Å; I108-I128 HydrophobicContact CG2-CD1 4.46Å; I108-I128 HydrophobicContact CG2-CG1 4.48Å; I108-I128 HydrophobicContact CG2-CG2 4.1Å
109I97.5Very high92.7Very high0 Ų044.1 Ų44.10%027%0.268CS..EExtended strand (participates in β ladder)trans-109.9124.3172.4-56.9178.5000109.1Y65 F87 T88 C89 S111 L130 V132 L152 I269Y65-I109 HydrophobicContact CD1-CD1 3.57Å; Y65-I109 HydrophobicContact CD1-CG1 3.76Å; Y65-I109 HydrophobicContact CE1-CD1 3.81Å; Y65-I109 HydrophobicContact CE1-CG1 3.86Å; Y65-I109 HydrophobicContact CG-CD1 4.01Å; F87-I109 PolarHBondContact O-N 3.5Å; T88-I109 WeakPolarHBondContact CA-O 3.48Å; T88-I109 HydrophobicContact CG2-CB 3.92Å; T88-I109 HydrophobicContact CG2-CD1 4.21Å; T88-I109 HydrophobicContact CG2-CG1 4.41Å; C89-I109 PolarHBondContact N-O 3.16Å; I109-S111 PolarHBondContact O-N 3.16Å; I109-L130 HydrophobicContact CD1-CD2 3.93Å; I109-L130 HydrophobicContact CG1-CD2 3.65Å; I109-L130 HydrophobicContact CG1-CG 4.11Å; I109-V132 HydrophobicContact CG2-CG2 4.06Å; I109-L152 HydrophobicContact CD1-CD1 4.33Å; I109-L152 HydrophobicContact CG2-CD1 4.35Å; I109-I269 HydrophobicContact CD1-CD1 3.37Å
110Y97.1Very high92.9Very high3 Ų342.1 Ų42.11%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-88.796.6172.1-173.3-129.6000110.9C89 L95 K115 H119 T123 L130 L131 V132C89-Y110 CarbonylContact O-C 3.02Å; C89-Y110 WeakPolarHBondContact O-CA 3.39Å; C89-Y110 WeakPolarHBondContact O-CD2 3.43Å; L95-Y110 HydrophobicContact CD1-CD2 3.67Å; L95-Y110 HydrophobicContact CD1-CE2 3.91Å; L95-Y110 HydrophobicContact CD1-CG 4.24Å; L95-Y110 HydrophobicContact CD2-CD2 4.29Å; L95-Y110 HydrophobicContact CG-CD2 4.13Å; Y110-K115 HydrophobicContact CD1-CD 3.64Å; Y110-K115 VanDerWaalsContact CD1-CE 3.43Å; Y110-K115 HydrophobicContact CD1-CG 4.17Å; Y110-K115 HydrophobicContact CE1-CB 4.02Å; Y110-K115 HydrophobicContact CE1-CD 3.42Å; Y110-K115 VanDerWaalsContact CE1-CD 3.42Å; Y110-K115 HydrophobicContact CE1-CG 3.46Å; Y110-K115 VanDerWaalsContact CE1-CG 3.46Å; Y110-K115 WeakPolarHBondContact O-CE 3.36Å; Y110-H119 HydrophobicContact CE1-CB 4.28Å; Y110-H119 WeakPolarHBondContact OH-CB 3.44Å; Y110-H119 PolarHBondContact OH-ND1 2.84Å; Y110-T123 HydrophobicContact CD1-CG2 3.89Å; Y110-T123 HydrophobicContact CG-CG2 3.95Å; Y110-L130 PolarHBondContact N-O 2.88Å; Y110-L131 HydrophobicContact CD1-CD2 4.41Å; Y110-L131 HydrophobicContact CD1-CG 4.28Å; Y110-V132 PolarHBondContact O-N 2.6Å
111S93Very high93.2Very high3 Ų343.9 Ų43.92%0.02126%0.256CS..  trans-95.9-6.9-165.967.70000115C89 I109 V113 R195C89-S111 PolarHBondContact O-N 2.71Å; C89-S111 PolarHBondContact O-OG 3.42Å; I109-S111 PolarHBondContact O-N 3.16Å; S111-V113 PolarHBondContact O-N 3.45Å; S111-R195 PolarHBondContact O-NH1 3.47Å
112G86.6Confident93.5Very high11 Ų1144 Ų4411%0.11326%0.255CS..  trans-65.1123.7-175.600000113S90 K115S90-G112 WeakPolarHBondContact O-CA 3.23Å; G112-K115 VanDerWaalsContact O-CE 3.25Å; G112-K115 WeakPolarHBondContact O-CE 3.47Å; G112-K115 WeakPolarHBondContact O-CG 3.34Å; G112-K115 PolarHBondContact O-NZ 3.32Å
113V82.2Confident93.9Very high27 Ų2741 Ų4116%0.16422%0.224CC..SBendtrans-63.6-51.2-170.1-177.80000112.8S111 K115 D134 F170S111-V113 PolarHBondContact O-N 3.45Å; V113-K115 PolarHBondContact O-N 2.91Å; V113-D134 WeakPolarHBondContact CG1-OD2 3.45Å; V113-F170 HydrophobicContact CB-CD1 4.22Å; V113-F170 HydrophobicContact CG1-CD1 3.78Å; V113-F170 HydrophobicContact CG1-CE1 4.34Å; V113-F170 HydrophobicContact CG1-CG 4.48Å; V113-F170 HydrophobicContact CG2-CB 4.18Å; V113-F170 HydrophobicContact CG2-CD1 4.1Å; V113-F170 HydrophobicContact CG2-CG 4.09Å
114C87.3Confident94.1Very high105 Ų10541.9 Ų41.971%0.70923%0.234SC*.SBendtrans-97.286.7-177.4-64.90000111.6
115K92.7Very high94.2Very high4 Ų447.7 Ų47.72%0.01725%0.253CS..  trans-84126.8-170.8-58.3174.9176.462.20111.9Y110 G112 V113 I120 L131 V132 E138 K141Y110-K115 HydrophobicContact CD1-CD 3.64Å; Y110-K115 VanDerWaalsContact CD1-CE 3.43Å; Y110-K115 HydrophobicContact CD1-CG 4.17Å; Y110-K115 HydrophobicContact CE1-CB 4.02Å; Y110-K115 HydrophobicContact CE1-CD 3.42Å; Y110-K115 VanDerWaalsContact CE1-CD 3.42Å; Y110-K115 HydrophobicContact CE1-CG 3.46Å; Y110-K115 VanDerWaalsContact CE1-CG 3.46Å; Y110-K115 WeakPolarHBondContact O-CE 3.36Å; G112-K115 VanDerWaalsContact O-CE 3.25Å; G112-K115 WeakPolarHBondContact O-CE 3.47Å; G112-K115 WeakPolarHBondContact O-CG 3.34Å; G112-K115 PolarHBondContact O-NZ 3.32Å; V113-K115 PolarHBondContact O-N 2.91Å; K115-I120 HydrophobicContact CB-CD1 3.9Å; K115-I120 HydrophobicContact CB-CG1 3.78Å; K115-I120 HydrophobicContact CD-CG1 4.25Å; K115-L131 HydrophobicContact CD-CD2 4.42Å; K115-V132 WeakPolarHBondContact CE-O 3.32Å; K115-V132 PolarHBondContact NZ-O 2.92Å; K115-E138 PolarHBondContact N-OE1 3.36Å; K115-K141 PolarHBondContact O-NZ 2.94Å
116Q94.3Very high94.3Very high116 Ų11648.8 Ų48.854%0.54226%0.257SS..  trans-67.3143166.5-65.9-168.4-3.700110.6S118 H119 I120Q116-S118 WeakPolarHBondContact CB-OG 3.47Å; Q116-S118 PolarHBondContact O-N 3.48Å; Q116-S118 PolarHBondContact OE1-OG 3.4Å; Q116-H119 HydrophobicContact CB-CB 4.49Å; Q116-H119 WeakPolarHBondContact O-CB 3.48Å; Q116-H119 PolarHBondContact O-N 2.88Å; Q116-I120 PolarHBondContact O-N 3.21Å; Q116-I120 VanDerWaalsContact O-N 3.12Å
117V95.8Very high94.3Very high65 Ų6543.8 Ų43.839%0.39424%0.243SC..Hα-helixtrans-58.3-36.4178.5170.40000111.9H119 I120 K121 K141V117-H119 VanDerWaalsContact C-N 3.3Å; V117-H119 PolarHBondContact O-N 2.91Å; V117-I120 PolarHBondContact O-N 3.25Å; V117-K121 HydrophobicContact CG1-CD 4.31Å; V117-K121 WeakPolarHBondContact O-CG 3.35Å; V117-K121 PolarHBondContact O-N 3.29Å; V117-K141 HydrophobicContact CG2-CD 4.2Å
118S95.9Very high94.4Very high64 Ų6442.4 Ų42.445%0.44824%0.235SC..Hα-helixtrans-58.4-40.8173.448.10000112.2Q116 Y122Q116-S118 WeakPolarHBondContact CB-OG 3.47Å; Q116-S118 PolarHBondContact O-N 3.48Å; Q116-S118 PolarHBondContact OE1-OG 3.4Å; S118-Y122 PolarHBondContact O-N 2.88Å
119H95.5Very high94.3Very high34 Ų3444.9 Ų44.916%0.15725%0.249CC..Hα-helixtrans-71.7-40.9-179.9-60.1-176.2000111.2Y110 Q116 V117 K121 Y122 T123Y110-H119 HydrophobicContact CE1-CB 4.28Å; Y110-H119 WeakPolarHBondContact OH-CB 3.44Å; Y110-H119 PolarHBondContact OH-ND1 2.84Å; Q116-H119 HydrophobicContact CB-CB 4.49Å; Q116-H119 WeakPolarHBondContact O-CB 3.48Å; Q116-H119 PolarHBondContact O-N 2.88Å; V117-H119 VanDerWaalsContact C-N 3.3Å; V117-H119 PolarHBondContact O-N 2.91Å; H119-K121 VanDerWaalsContact C-N 3.31Å; H119-K121 PolarHBondContact O-N 2.76Å; H119-Y122 WeakPolarHBondContact O-CA 3.18Å; H119-Y122 WeakPolarHBondContact O-CB 3.3Å; H119-Y122 PolarHBondContact O-N 3.09Å; H119-Y122 VanDerWaalsContact O-N 3.07Å; H119-T123 PolarHBondContact O-N 3.37Å; H119-T123 PolarHBondContact O-OG1 2.51Å
120I96.4Very high94.3Very high0 Ų045.8 Ų45.80%025%0.253CS..Hα-helixtrans-62.2-40.7175.7-58169.5000110.9K115 Q116 V117 Y122 T123 A124 L131 K141 I142 C145 H146K115-I120 HydrophobicContact CB-CD1 3.9Å; K115-I120 HydrophobicContact CB-CG1 3.78Å; K115-I120 HydrophobicContact CD-CG1 4.25Å; Q116-I120 PolarHBondContact O-N 3.21Å; Q116-I120 VanDerWaalsContact O-N 3.12Å; V117-I120 PolarHBondContact O-N 3.25Å; I120-Y122 VanDerWaalsContact C-N 3.29Å; I120-Y122 PolarHBondContact O-N 2.75Å; I120-T123 WeakPolarHBondContact CA-OG1 3.34Å; I120-T123 PolarHBondContact O-N 2.84Å; I120-T123 PolarHBondContact O-OG1 3.29Å; I120-A124 PolarHBondContact O-N 3Å; I120-L131 HydrophobicContact CG2-CD2 4.36Å; I120-K141 HydrophobicContact CD1-CB 3.98Å; I120-I142 HydrophobicContact CD1-CG1 4.02Å; I120-C145 HydrophobicContact CB-CB 4.18Å; I120-C145 HydrophobicContact CG2-CB 3.63Å; I120-H146 HydrophobicContact CG2-CB 3.79Å
121K96.7Very high94.4Very high122 Ų12245.6 Ų45.653%0.5325%0.253SS..Hα-helixtrans-64.7-35.2174.1-72.6178.1178.6-177.10112.2V117 H119 K125 C145V117-K121 HydrophobicContact CG1-CD 4.31Å; V117-K121 WeakPolarHBondContact O-CG 3.35Å; V117-K121 PolarHBondContact O-N 3.29Å; H119-K121 VanDerWaalsContact C-N 3.31Å; H119-K121 PolarHBondContact O-N 2.76Å; K121-K125 WeakPolarHBondContact O-CB 3.4Å; K121-K125 PolarHBondContact O-N 2.84Å; K121-C145 HydrophobicContact CG-CB 4.12Å
122Y96.3Very high94.5Very high39 Ų3945.6 Ų45.615%0.15325%0.252CS..Hα-helixtrans-65.2-46.2174.5179.1-85.1000111.3K92 L95 E96 Q99 S118 H119 I120 A124 K125 N126K92-Y122 HydrophobicContact CD-CD2 4.37Å; K92-Y122 HydrophobicContact CD-CG 4.37Å; K92-Y122 HydrophobicContact CG-CG 4.43Å; L95-Y122 HydrophobicContact CB-CE1 3.96Å; L95-Y122 HydrophobicContact CD1-CD1 4.15Å; L95-Y122 HydrophobicContact CD1-CE1 4.37Å; E96-Y122 HydrophobicContact CG-CE1 4.36Å; E96-Y122 HydrophobicContact CG-CE2 3.96Å; E96-Y122 WeakPolarHBondContact CG-OH 3.45Å; Q99-Y122 PolarHBondContact OE1-OH 2.98Å; S118-Y122 PolarHBondContact O-N 2.88Å; H119-Y122 WeakPolarHBondContact O-CA 3.18Å; H119-Y122 WeakPolarHBondContact O-CB 3.3Å; H119-Y122 PolarHBondContact O-N 3.09Å; H119-Y122 VanDerWaalsContact O-N 3.07Å; I120-Y122 VanDerWaalsContact C-N 3.29Å; I120-Y122 PolarHBondContact O-N 2.75Å; Y122-A124 VanDerWaalsContact C-N 3.32Å; Y122-A124 PolarHBondContact O-N 2.82Å; Y122-K125 PolarHBondContact O-N 3.31Å; Y122-N126 WeakPolarHBondContact CD1-ND2 3.42Å; Y122-N126 WeakPolarHBondContact CD2-ND2 3.14Å; Y122-N126 VanDerWaalsContact CE1-ND2 3.26Å; Y122-N126 WeakPolarHBondContact CE1-ND2 3.24Å; Y122-N126 VanDerWaalsContact CE2-ND2 3.27Å; Y122-N126 WeakPolarHBondContact CE2-ND2 3.32Å; Y122-N126 PolarHBondContact O-N 3.21Å; Y122-N126 VanDerWaalsContact O-N 3.09Å; Y122-N126 PolarHBondContact O-ND2 3.32Å
123T96.5Very high94.9Very high0 Ų045.1 Ų45.10%025%0.248CC..Hα-helixtrans-59.2-43.5175.6490000111.5L95 Y110 H119 I120 K125 N126 G127 I128L95-T123 HydrophobicContact CD1-CG2 3.6Å; Y110-T123 HydrophobicContact CD1-CG2 3.89Å; Y110-T123 HydrophobicContact CG-CG2 3.95Å; H119-T123 PolarHBondContact O-N 3.37Å; H119-T123 PolarHBondContact O-OG1 2.51Å; I120-T123 WeakPolarHBondContact CA-OG1 3.34Å; I120-T123 PolarHBondContact O-N 2.84Å; I120-T123 PolarHBondContact O-OG1 3.29Å; T123-K125 PolarHBondContact O-N 3.33Å; T123-N126 PolarHBondContact O-N 2.91Å; T123-G127 PolarHBondContact O-N 3Å; T123-G127 VanDerWaalsContact O-N 3.13Å; T123-I128 HydrophobicContact CG2-CB 4.24Å; T123-I128 HydrophobicContact CG2-CD1 4.28Å; T123-I128 HydrophobicContact CG2-CG2 4.29Å; T123-I128 PolarHBondContact O-N 3.39Å
124A96.4Very high95.4Very high34 Ų3444.9 Ų44.928%0.28125%0.245SC..Hα-helixtrans-62.2-42176.500000112.6I120 Y122 N126 G127 H146I120-A124 PolarHBondContact O-N 3Å; Y122-A124 VanDerWaalsContact C-N 3.32Å; Y122-A124 PolarHBondContact O-N 2.82Å; A124-N126 VanDerWaalsContact C-N 3.32Å; A124-N126 PolarHBondContact O-N 3Å; A124-G127 PolarHBondContact O-N 3.4Å; A124-H146 HydrophobicContact CB-CB 3.84Å
125K96.4Very high95.6Very high177 Ų17742.4 Ų42.477%0.7723%0.225SC*.Hα-helixtrans-64.9-36.1-179.7-177.3-176.8173.2-168.80112.4K121 Y122 T123K121-K125 WeakPolarHBondContact O-CB 3.4Å; K121-K125 PolarHBondContact O-N 2.84Å; Y122-K125 PolarHBondContact O-N 3.31Å; T123-K125 PolarHBondContact O-N 3.33Å
126N95.3Very high95.6Very high51 Ų5145.1 Ų45.127%0.27324%0.238SC..THydrogen-bonded Turntrans-99.213.2-177.4-57-70.8000113.3Q99 S105 Y122 T123 A124 I128Q99-N126 VanDerWaalsContact NE2-CB 3.28Å; S105-N126 PolarHBondContact OG-O 3.32Å; Y122-N126 WeakPolarHBondContact CD1-ND2 3.42Å; Y122-N126 WeakPolarHBondContact CD2-ND2 3.14Å; Y122-N126 VanDerWaalsContact CE1-ND2 3.26Å; Y122-N126 WeakPolarHBondContact CE1-ND2 3.24Å; Y122-N126 VanDerWaalsContact CE2-ND2 3.27Å; Y122-N126 WeakPolarHBondContact CE2-ND2 3.32Å; Y122-N126 PolarHBondContact O-N 3.21Å; Y122-N126 VanDerWaalsContact O-N 3.09Å; Y122-N126 PolarHBondContact O-ND2 3.32Å; T123-N126 PolarHBondContact O-N 2.91Å; A124-N126 VanDerWaalsContact C-N 3.32Å; A124-N126 PolarHBondContact O-N 3Å; N126-I128 VanDerWaalsContact C-N 3.28Å; N126-I128 PolarHBondContact O-N 3.3Å
127G95.3Very high95.6Very high35 Ų3542.5 Ų42.536%0.36124%0.236SC..THydrogen-bonded Turntrans67.123.3175.300000114.9S105 T123 A124 D129S105-G127 WeakPolarHBondContact CB-O 3.48Å; T123-G127 PolarHBondContact O-N 3Å; T123-G127 VanDerWaalsContact O-N 3.13Å; A124-G127 PolarHBondContact O-N 3.4Å; G127-D129 PolarHBondContact O-N 3.3Å
128I96.8Very high95.6Very high0 Ų039.9 Ų39.90%022%0.219CC..  trans-83.4102.7172-60.8155.6000107L95 I108 T123 N126 L131 H146L95-I128 HydrophobicContact CD1-CD1 4.42Å; L95-I128 HydrophobicContact CD2-CD1 3.76Å; I108-I128 HydrophobicContact CB-CG2 4.32Å; I108-I128 HydrophobicContact CG2-CD1 4.46Å; I108-I128 HydrophobicContact CG2-CG1 4.48Å; I108-I128 HydrophobicContact CG2-CG2 4.1Å; T123-I128 HydrophobicContact CG2-CB 4.24Å; T123-I128 HydrophobicContact CG2-CD1 4.28Å; T123-I128 HydrophobicContact CG2-CG2 4.29Å; T123-I128 PolarHBondContact O-N 3.39Å; N126-I128 VanDerWaalsContact C-N 3.28Å; N126-I128 PolarHBondContact O-N 3.3Å; I128-L131 WeakPolarHBondContact O-CD1 3.22Å; I128-H146 PolarHBondContact O-CD2 3.2Å; I128-H146 PolarHBondContact O-NE2 2.84Å
129D97.1Very high95.6Very high53 Ų5337 Ų3728%0.28320%0.199SC..  trans-94-25.5-171.7-67.2-23.8000113.2G127 L131 H146 A149 K150G127-D129 PolarHBondContact O-N 3.3Å; D129-L131 WeakPolarHBondContact O-CD1 3.44Å; D129-L131 PolarHBondContact O-N 3.14Å; D129-H146 IonicContact OD1-CE1 3.23Å; D129-H146 PolarHBondContact OD1-CE1 2.94Å; D129-H146 IonicContact OD1-NE2 3.33Å; D129-H146 PolarHBondContact OD1-NE2 2.89Å; D129-A149 CarbonylContact O-C 3.24Å; D129-A149 WeakPolarHBondContact O-CA 3.32Å; D129-K150 PolarHBondContact O-N 2.94Å
130L97.7Very high95.6Very high18 Ų1840.7 Ų40.79%0.09421%0.212CC..EExtended strand (participates in β ladder)trans-86.2107.8-174.5-163.155.7000111.2I109 Y110 K150 L152 V192 I231I109-L130 HydrophobicContact CD1-CD2 3.93Å; I109-L130 HydrophobicContact CG1-CD2 3.65Å; I109-L130 HydrophobicContact CG1-CG 4.11Å; Y110-L130 PolarHBondContact N-O 2.88Å; L130-K150 WeakPolarHBondContact CA-O 3.4Å; L130-K150 HydrophobicContact CD1-CB 4.12Å; L130-L152 HydrophobicContact CD1-CD1 4.13Å; L130-L152 HydrophobicContact CD1-CD2 4.04Å; L130-L152 HydrophobicContact CD1-CG 3.74Å; L130-L152 HydrophobicContact CD2-CD1 4.25Å; L130-L152 HydrophobicContact CG-CD1 4.11Å; L130-L152 HydrophobicContact CG-CG 4.24Å; L130-V192 HydrophobicContact CD1-CG2 3.71Å; L130-I231 HydrophobicContact CD1-CD1 4.12Å; L130-I231 HydrophobicContact CD2-CD1 3.94Å
131L97.4Very high95.6Very high0 Ų043.4 Ų43.40%022%0.223CC..EExtended strand (participates in β ladder)trans-123.3142.7-176-81.672.8000110.6Y110 K115 I120 I128 D129 I142 A149 K150 L151 L152Y110-L131 HydrophobicContact CD1-CD2 4.41Å; Y110-L131 HydrophobicContact CD1-CG 4.28Å; K115-L131 HydrophobicContact CD-CD2 4.42Å; I120-L131 HydrophobicContact CG2-CD2 4.36Å; I128-L131 WeakPolarHBondContact O-CD1 3.22Å; D129-L131 WeakPolarHBondContact O-CD1 3.44Å; D129-L131 PolarHBondContact O-N 3.14Å; L131-I142 HydrophobicContact CD2-CD1 4.25Å; L131-I142 HydrophobicContact CD2-CG1 4.2Å; L131-I142 HydrophobicContact CD2-CG2 4.26Å; L131-A149 HydrophobicContact CD1-CB 4.31Å; L131-K150 PolarHBondContact N-O 2.87Å; L131-L151 HydrophobicContact CB-CD2 3.97Å; L131-L151 CarbonylContact O-C 3Å; L131-L151 VanDerWaalsContact O-CA 3.28Å; L131-L151 WeakPolarHBondContact O-CA 3.47Å; L131-L152 PolarHBondContact O-N 2.89Å
132V95.8Very high95.6Very high2 Ų237.6 Ų37.61%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-84.8143.8172.5177.60000110.9I109 Y110 K115 L152 Q154I109-V132 HydrophobicContact CG2-CG2 4.06Å; Y110-V132 PolarHBondContact O-N 2.6Å; K115-V132 WeakPolarHBondContact CE-O 3.32Å; K115-V132 PolarHBondContact NZ-O 2.92Å; V132-L152 CarbonylContact C-O 3.59Å; V132-L152 WeakPolarHBondContact CA-O 3.37Å; V132-L152 HydrophobicContact CG2-CB 4.35Å; V132-Q154 HydrophobicContact CG1-CB 3.67Å
133C94.9Very high95.6Very high2 Ų236.6 Ų36.61%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-142.6136175.2-171.40000110.5N135 I142 L151 L152 L153 Q154C133-N135 PolarHBondContact SG-O 3.35Å; C133-I142 HydrophobicContact CB-CD1 4.3Å; C133-L151 HydrophobicContact CB-CD1 4.11Å; C133-L151 HydrophobicContact CB-CD2 4.29Å; C133-L152 PolarHBondContact N-O 3.32Å; C133-L153 HydrophobicContact CB-CD2 4.44Å; C133-L153 VanDerWaalsContact O-CA 3.31Å; C133-L153 WeakPolarHBondContact O-CA 3.47Å; C133-Q154 PolarHBondContact O-N 3.33Å
134D92.3Very high95.6Very high21 Ų2145.9 Ų45.911%0.11223%0.232CC..  trans-126.2-10.6-178.766.7-21.8000113.3V113 Q154 L180V113-D134 WeakPolarHBondContact CG1-OD2 3.45Å; D134-Q154 HydrophobicContact CB-CB 4.2Å; D134-L180 WeakPolarHBondContact O-CD1 3.45Å
135N92.1Very high95.6Very high53 Ų5345.6 Ų45.628%0.28323%0.227SC..SBendtrans-149.1163.6-175.672.573.7000113.9C133 A137 E138 L139 L180C133-N135 PolarHBondContact SG-O 3.35Å; N135-A137 VanDerWaalsContact C-N 3.33Å; N135-A137 PolarHBondContact O-N 2.94Å; N135-A137 WeakPolarHBondContact OD1-CA 3.39Å; N135-A137 WeakPolarHBondContact OD1-CB 3.39Å; N135-A137 PolarHBondContact OD1-N 3.35Å; N135-E138 VanDerWaalsContact ND2-CG 3.32Å; N135-E138 WeakPolarHBondContact ND2-CG 3.39Å; N135-E138 PolarHBondContact O-N 3.19Å; N135-E138 PolarHBondContact OD1-N 3.25Å; N135-L139 PolarHBondContact O-N 2.99Å; N135-L139 VanDerWaalsContact O-N 3.1Å; N135-L180 VanDerWaalsContact C-CD2 3.47Å
136E93.4Very high95.7Very high61 Ų6137.4 Ų37.429%0.28519%0.192SC..Hα-helixtrans-70.1-30.2-172.6-168.3-179.9179.800112.4L139 R140 L180E136-L139 PolarHBondContact O-N 2.77Å; E136-R140 VanDerWaalsContact CD-NH2 3.31Å; E136-R140 WeakPolarHBondContact O-CB 3.34Å; E136-R140 WeakPolarHBondContact O-CG 3.32Å; E136-R140 PolarHBondContact O-N 3.1Å; E136-R140 IonicContact OE1-CZ 2.91Å; E136-R140 IonicContact OE1-NE 3.94Å; E136-R140 PolarHBondContact OE1-NE 2.87Å; E136-R140 IonicContact OE1-NH2 3.27Å; E136-R140 PolarHBondContact OE1-NH2 2.83Å; E136-R140 IonicContact OE2-NH2 2.59Å; E136-L180 HydrophobicContact CB-CD2 3.91Å; E136-L180 VanDerWaalsContact N-CD2 3.32Å
137A93.9Very high95.6Very high61 Ų6138.9 Ų38.950%0.50420%0.204SC..Hα-helixtrans-68.8-42.4177.900000111.2N135 R140 K141N135-A137 VanDerWaalsContact C-N 3.33Å; N135-A137 PolarHBondContact O-N 2.94Å; N135-A137 WeakPolarHBondContact OD1-CA 3.39Å; N135-A137 WeakPolarHBondContact OD1-CB 3.39Å; N135-A137 PolarHBondContact OD1-N 3.35Å; A137-R140 PolarHBondContact O-N 2.84Å; A137-K141 WeakPolarHBondContact O-CG 3.39Å; A137-K141 PolarHBondContact O-N 3.37Å; A137-K141 VanDerWaalsContact O-N 3.08Å
138E94.7Very high95.5Very high10 Ų1043.1 Ų43.15%0.04722%0.219CC..Hα-helixtrans-61-47.5171.9-71.3-62146.500111.2K115 N135 R140 K141 I142K115-E138 PolarHBondContact N-OE1 3.36Å; N135-E138 VanDerWaalsContact ND2-CG 3.32Å; N135-E138 WeakPolarHBondContact ND2-CG 3.39Å; N135-E138 PolarHBondContact O-N 3.19Å; N135-E138 PolarHBondContact OD1-N 3.25Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 2.82Å; E138-K141 WeakPolarHBondContact O-CA 3.31Å; E138-K141 WeakPolarHBondContact O-CB 3.34Å; E138-K141 PolarHBondContact O-N 3.41Å; E138-K141 VanDerWaalsContact OE1-CE 3.27Å; E138-K141 WeakPolarHBondContact OE1-CE 3.2Å; E138-K141 IonicContact OE1-NZ 3.09Å; E138-K141 PolarHBondContact OE1-NZ 3.04Å; E138-K141 WeakPolarHBondContact OE2-CE 3.44Å; E138-K141 IonicContact OE2-NZ 3.69Å; E138-K141 PolarHBondContact OE2-NZ 2.74Å; E138-K141 VanDerWaalsContact OE2-NZ 3.08Å; E138-I142 WeakPolarHBondContact O-CG1 3.48Å; E138-I142 PolarHBondContact O-N 3.47Å
139L95.9Very high95.5Very high3 Ų343.1 Ų43.12%0.01622%0.219CC..Hα-helixtrans-55.8-44.7177.5177.963.1000112.5N135 E136 K141 I142 S143 L151 L180 A184 L187 V189N135-L139 PolarHBondContact O-N 2.99Å; N135-L139 VanDerWaalsContact O-N 3.1Å; E136-L139 PolarHBondContact O-N 2.77Å; L139-K141 VanDerWaalsContact C-N 3.32Å; L139-K141 PolarHBondContact O-N 3.34Å; L139-I142 PolarHBondContact O-N 3.01Å; L139-S143 WeakPolarHBondContact O-CB 3.31Å; L139-S143 PolarHBondContact O-N 2.86Å; L139-S143 PolarHBondContact O-OG 3.13Å; L139-L151 HydrophobicContact CD1-CD1 3.44Å; L139-L151 VanDerWaalsContact CD1-CD1 3.44Å; L139-L180 HydrophobicContact CD2-CD2 4.48Å; L139-A184 HydrophobicContact CD1-CB 3.91Å; L139-A184 HydrophobicContact CD2-CB 4Å; L139-L187 HydrophobicContact CD2-CD1 4.06Å; L139-L187 HydrophobicContact CG-CD1 3.85Å; L139-V189 HydrophobicContact CD1-CB 4.29Å; L139-V189 HydrophobicContact CD1-CG1 4.47Å; L139-V189 HydrophobicContact CD1-CG2 4.46Å
140R96.3Very high95.6Very high113 Ų11344.8 Ų44.843%0.42622%0.224SC..Hα-helixtrans-66.9-30.6176.1-72.6176.8-175.3159.3-3.1113E136 A137 E138 S143 R144 L187E136-R140 VanDerWaalsContact CD-NH2 3.31Å; E136-R140 WeakPolarHBondContact O-CB 3.34Å; E136-R140 WeakPolarHBondContact O-CG 3.32Å; E136-R140 PolarHBondContact O-N 3.1Å; E136-R140 IonicContact OE1-CZ 2.91Å; E136-R140 IonicContact OE1-NE 3.94Å; E136-R140 PolarHBondContact OE1-NE 2.87Å; E136-R140 IonicContact OE1-NH2 3.27Å; E136-R140 PolarHBondContact OE1-NH2 2.83Å; E136-R140 IonicContact OE2-NH2 2.59Å; A137-R140 PolarHBondContact O-N 2.84Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 2.82Å; R140-S143 WeakPolarHBondContact CA-OG 3.46Å; R140-S143 PolarHBondContact O-OG 3.22Å; R140-R144 VanDerWaalsContact O-CD 3.31Å; R140-R144 WeakPolarHBondContact O-CD 3.31Å; R140-R144 VanDerWaalsContact O-CG 3.27Å; R140-R144 WeakPolarHBondContact O-CG 3.47Å; R140-L187 HydrophobicContact CG-CD1 4.04Å
141K95.8Very high95.6Very high56 Ų5644 Ų4424%0.24322%0.219CC..Hα-helixtrans-70.9-45.2172.8-72.9-175-60174.50111.1K115 V117 I120 A137 E138 L139 R144 C145K115-K141 PolarHBondContact O-NZ 2.94Å; V117-K141 HydrophobicContact CG2-CD 4.2Å; I120-K141 HydrophobicContact CD1-CB 3.98Å; A137-K141 WeakPolarHBondContact O-CG 3.39Å; A137-K141 PolarHBondContact O-N 3.37Å; A137-K141 VanDerWaalsContact O-N 3.08Å; E138-K141 WeakPolarHBondContact O-CA 3.31Å; E138-K141 WeakPolarHBondContact O-CB 3.34Å; E138-K141 PolarHBondContact O-N 3.41Å; E138-K141 VanDerWaalsContact OE1-CE 3.27Å; E138-K141 WeakPolarHBondContact OE1-CE 3.2Å; E138-K141 IonicContact OE1-NZ 3.09Å; E138-K141 PolarHBondContact OE1-NZ 3.04Å; E138-K141 WeakPolarHBondContact OE2-CE 3.44Å; E138-K141 IonicContact OE2-NZ 3.69Å; E138-K141 PolarHBondContact OE2-NZ 2.74Å; E138-K141 VanDerWaalsContact OE2-NZ 3.08Å; L139-K141 VanDerWaalsContact C-N 3.32Å; L139-K141 PolarHBondContact O-N 3.34Å; K141-R144 PolarHBondContact O-N 3.13Å; K141-C145 WeakPolarHBondContact O-CB 3.38Å; K141-C145 PolarHBondContact O-N 3.43Å; K141-C145 PolarHBondContact O-SG 3.36Å
142I96.7Very high95.6Very high0 Ų044 Ų440%022%0.219CC..Hα-helixtrans-64.4-50.3-178.8-63.7165.8000110.5I120 L131 C133 E138 L139 R144 C145 H146 A149 L151I120-I142 HydrophobicContact CD1-CG1 4.02Å; L131-I142 HydrophobicContact CD2-CD1 4.25Å; L131-I142 HydrophobicContact CD2-CG1 4.2Å; L131-I142 HydrophobicContact CD2-CG2 4.26Å; C133-I142 HydrophobicContact CB-CD1 4.3Å; E138-I142 WeakPolarHBondContact O-CG1 3.48Å; E138-I142 PolarHBondContact O-N 3.47Å; L139-I142 PolarHBondContact O-N 3.01Å; I142-R144 PolarHBondContact O-N 2.9Å; I142-C145 PolarHBondContact O-N 3.1Å; I142-H146 HydrophobicContact CG2-CB 4.41Å; I142-H146 CarbonylContact O-C 3.54Å; I142-H146 PolarHBondContact O-N 2.76Å; I142-A149 HydrophobicContact CG2-CB 3.58Å; I142-L151 HydrophobicContact CD1-CD2 3.85Å; I142-L151 HydrophobicContact CG2-CD2 4.07Å
143S97Very high95.6Very high19 Ų1944 Ų4413%0.13322%0.219CC..Hα-helixtrans-51.2-35.6177.352.60000114L139 R140 V189L139-S143 WeakPolarHBondContact O-CB 3.31Å; L139-S143 PolarHBondContact O-N 2.86Å; L139-S143 PolarHBondContact O-OG 3.13Å; R140-S143 WeakPolarHBondContact CA-OG 3.46Å; R140-S143 PolarHBondContact O-OG 3.22Å; S143-V189 VanDerWaalsContact CB-CG2 3.42Å
144R96.6Very high95.5Very high195 Ų19544.2 Ų44.274%0.73622%0.22SC*.Hα-helixtrans-79.9-32.2179.3-66.5171.6-172.7174.12.2113.8R140 K141 I142R140-R144 VanDerWaalsContact O-CD 3.31Å; R140-R144 WeakPolarHBondContact O-CD 3.31Å; R140-R144 VanDerWaalsContact O-CG 3.27Å; R140-R144 WeakPolarHBondContact O-CG 3.47Å; K141-R144 PolarHBondContact O-N 3.13Å; I142-R144 PolarHBondContact O-N 2.9Å
145C96.9Very high95.3Very high27 Ų2743.4 Ų43.418%0.18222%0.216CC..Hα-helixtrans-107.3-26.2-167.7-59.10000113.6I120 K121 K141 I142I120-C145 HydrophobicContact CB-CB 4.18Å; I120-C145 HydrophobicContact CG2-CB 3.63Å; K121-C145 HydrophobicContact CG-CB 4.12Å; K141-C145 WeakPolarHBondContact O-CB 3.38Å; K141-C145 PolarHBondContact O-N 3.43Å; K141-C145 PolarHBondContact O-SG 3.36Å; I142-C145 PolarHBondContact O-N 3.1Å
146H97.1Very high94.9Very high6 Ų642.8 Ų42.83%0.02822%0.216CC..  trans-142.476.9179.1-166.3-2.2000110.2I120 A124 I128 D129 I142 N148 A149I120-H146 HydrophobicContact CG2-CB 3.79Å; A124-H146 HydrophobicContact CB-CB 3.84Å; I128-H146 PolarHBondContact O-CD2 3.2Å; I128-H146 PolarHBondContact O-NE2 2.84Å; D129-H146 IonicContact OD1-CE1 3.23Å; D129-H146 PolarHBondContact OD1-CE1 2.94Å; D129-H146 IonicContact OD1-NE2 3.33Å; D129-H146 PolarHBondContact OD1-NE2 2.89Å; I142-H146 HydrophobicContact CG2-CB 4.41Å; I142-H146 CarbonylContact O-C 3.54Å; I142-H146 PolarHBondContact O-N 2.76Å; H146-N148 PolarHBondContact O-N 2.93Å; H146-A149 HydrophobicContact CB-CB 4.12Å; H146-A149 VanDerWaalsContact O-CB 3.24Å; H146-A149 WeakPolarHBondContact O-CB 3.35Å; H146-A149 PolarHBondContact O-N 2.97Å; H146-A149 VanDerWaalsContact O-N 3.12Å
147P93.1Very high93.7Very high82 Ų8241.4 Ų41.453%0.53221%0.212SC..THydrogen-bonded Turntrans-64.2-22.4-175.3-22.834.4000114.4A149P147-A149 VanDerWaalsContact C-N 3.34Å
148N94.9Very high92.3Very high124 Ų12446 Ų4666%0.66322%0.223SC*.THydrogen-bonded Turntrans-92.34.3179.5-62.5-26.4000112.6H146H146-N148 PolarHBondContact O-N 2.93Å
149A96.9Very high90.5Very high0 Ų048.9 Ų48.90%025%0.248CC..PPolyproline II helixtrans-59.8140.4178.300000111.3D129 L131 I142 H146 P147 L151D129-A149 CarbonylContact O-C 3.24Å; D129-A149 WeakPolarHBondContact O-CA 3.32Å; L131-A149 HydrophobicContact CD1-CB 4.31Å; I142-A149 HydrophobicContact CG2-CB 3.58Å; H146-A149 HydrophobicContact CB-CB 4.12Å; H146-A149 VanDerWaalsContact O-CB 3.24Å; H146-A149 WeakPolarHBondContact O-CB 3.35Å; H146-A149 PolarHBondContact O-N 2.97Å; H146-A149 VanDerWaalsContact O-N 3.12Å; P147-A149 VanDerWaalsContact C-N 3.34Å; A149-L151 HydrophobicContact CB-CD2 4.33Å
150K97.8Very high88.4Confident88 Ų8850.8 Ų50.838%0.38326%0.261SS..EExtended strand (participates in β ladder)trans-103.4120.4170.4-66175.2-175.6170.70107.6D129 L130 L131 V192D129-K150 PolarHBondContact O-N 2.94Å; L130-K150 WeakPolarHBondContact CA-O 3.4Å; L130-K150 HydrophobicContact CD1-CB 4.12Å; L131-K150 PolarHBondContact N-O 2.87Å; K150-V192 HydrophobicContact CB-CB 4.46Å; K150-V192 HydrophobicContact CB-CG1 3.75Å; K150-V192 HydrophobicContact CB-CG2 3.83Å; K150-V192 HydrophobicContact CD-CG1 4.22Å; K150-V192 HydrophobicContact CG-CG1 3.91Å
151L97.6Very high86.3Confident1 Ų148.8 Ų48.81%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-97.9134.5-172.8-59.7-175000112.6L131 C133 L139 I142 A149 V189 Q190 V191 V192 G193L131-L151 HydrophobicContact CB-CD2 3.97Å; L131-L151 CarbonylContact O-C 3Å; L131-L151 VanDerWaalsContact O-CA 3.28Å; L131-L151 WeakPolarHBondContact O-CA 3.47Å; C133-L151 HydrophobicContact CB-CD1 4.11Å; C133-L151 HydrophobicContact CB-CD2 4.29Å; L139-L151 HydrophobicContact CD1-CD1 3.44Å; L139-L151 VanDerWaalsContact CD1-CD1 3.44Å; I142-L151 HydrophobicContact CD1-CD2 3.85Å; I142-L151 HydrophobicContact CG2-CD2 4.07Å; A149-L151 HydrophobicContact CB-CD2 4.33Å; L151-V189 HydrophobicContact CD1-CB 4.48Å; L151-V189 HydrophobicContact CD1-CG1 3.56Å; L151-V189 HydrophobicContact CD2-CG1 4.46Å; L151-V189 HydrophobicContact CG-CG1 3.73Å; L151-Q190 WeakPolarHBondContact CB-O 3.37Å; L151-Q190 PolarHBondContact N-O 3.3Å; L151-V191 HydrophobicContact CB-CG2 4.36Å; L151-V192 WeakPolarHBondContact O-CG2 3.36Å; L151-V192 PolarHBondContact O-N 3.3Å; L151-G193 PolarHBondContact O-N 3.44Å
152L97.3Very high83.8Confident0 Ų051.4 Ų51.40%028%0.282CS..EExtended strand (participates in β ladder)trans-97.7121.1158.9-59.9178.5000108.2I109 L130 L131 V132 C133 Q154 V192 G193 R195 I231I109-L152 HydrophobicContact CD1-CD1 4.33Å; I109-L152 HydrophobicContact CG2-CD1 4.35Å; L130-L152 HydrophobicContact CD1-CD1 4.13Å; L130-L152 HydrophobicContact CD1-CD2 4.04Å; L130-L152 HydrophobicContact CD1-CG 3.74Å; L130-L152 HydrophobicContact CD2-CD1 4.25Å; L130-L152 HydrophobicContact CG-CD1 4.11Å; L130-L152 HydrophobicContact CG-CG 4.24Å; L131-L152 PolarHBondContact O-N 2.89Å; V132-L152 CarbonylContact C-O 3.59Å; V132-L152 WeakPolarHBondContact CA-O 3.37Å; V132-L152 HydrophobicContact CG2-CB 4.35Å; C133-L152 PolarHBondContact N-O 3.32Å; L152-Q154 PolarHBondContact O-N 2.83Å; L152-V192 HydrophobicContact CD2-CG2 3.98Å; L152-G193 WeakPolarHBondContact CA-O 3.35Å; L152-R195 HydrophobicContact CB-CB 4.3Å; L152-I231 HydrophobicContact CD1-CG2 4.41Å; L152-I231 HydrophobicContact CD2-CB 3.84Å; L152-I231 HydrophobicContact CD2-CD1 4.49Å; L152-I231 HydrophobicContact CD2-CG2 3.72Å
153L95.9Very high81.4Confident3 Ų359 Ų592%0.01632%0.322CS..EExtended strand (participates in β ladder)trans-79.3120.4175.6-65.9-176.8000109.9C133 L181 V191 G193 V194 R195 I218C133-L153 HydrophobicContact CB-CD2 4.44Å; C133-L153 VanDerWaalsContact O-CA 3.31Å; C133-L153 WeakPolarHBondContact O-CA 3.47Å; L153-L181 HydrophobicContact CD1-CD2 3.63Å; L153-L181 HydrophobicContact CD1-CG 3.76Å; L153-V191 HydrophobicContact CD1-CG1 3.98Å; L153-V191 HydrophobicContact CG-CG1 3.78Å; L153-G193 PolarHBondContact N-O 3.15Å; L153-V194 CarbonylContact O-C 3.54Å; L153-V194 WeakPolarHBondContact O-CA 3.44Å; L153-R195 PolarHBondContact O-N 3.17Å; L153-I218 HydrophobicContact CD1-CG2 4.46Å
154Q93.4Very high78.9Confident5 Ų561.2 Ų61.22%0.02333%0.333CS..EExtended strand (participates in β ladder)trans-85.2124.4176.8178.8172.3-3000110.7V132 C133 D134 L152 F170 G171 C172 R195V132-Q154 HydrophobicContact CG1-CB 3.67Å; C133-Q154 PolarHBondContact O-N 3.33Å; D134-Q154 HydrophobicContact CB-CB 4.2Å; L152-Q154 PolarHBondContact O-N 2.83Å; Q154-F170 PolarHBondContact NE2-O 3.27Å; Q154-G171 CarbonylContact O-C 3.37Å; Q154-G171 VanDerWaalsContact O-CA 3.31Å; Q154-G171 WeakPolarHBondContact O-CA 3.34Å; Q154-C172 PolarHBondContact O-N 3.07Å; Q154-C172 PolarHBondContact O-SG 3.35Å; Q154-C172 VanDerWaalsContact O-SG 3.36Å; Q154-R195 CarbonylContact C-O 3.56Å; Q154-R195 VanDerWaalsContact CA-O 3.27Å; Q154-R195 WeakPolarHBondContact CA-O 3.5Å
155V88.8Confident76Confident4 Ų460.8 Ų60.82%0.02434%0.339CS..EExtended strand (participates in β ladder)trans-101.8140.4-177.7-170.90000109.5T157 V194 R195 I218V155-T157 PolarHBondContact O-N 2.89Å; V155-V194 HydrophobicContact CG2-CG1 3.37Å; V155-R195 PolarHBondContact N-O 3.38Å; V155-I218 HydrophobicContact CB-CD1 4.31Å; V155-I218 HydrophobicContact CG1-CD1 4.12Å; V155-I218 HydrophobicContact CG2-CD1 3.18Å
156S82.3Confident73Confident40 Ų4068.1 Ų68.128%0.2837%0.373SS..PPolyproline II helixtrans-72.1121.7171.3570000109.6C172S156-C172 PolarHBondContact N-O 2.94Å; S156-C172 VanDerWaalsContact N-O 3.13Å; S156-C172 PolarHBondContact OG-O 3.2Å
157T69.8Low70.5Confident33 Ų3369.5 Ų69.520%0.20239%0.389CS..PPolyproline II helixtrans-86.1152.2167.654.10000109.7V155 H197 I198 A211V155-T157 PolarHBondContact O-N 2.89Å; T157-H197 PolarHBondContact OG1-O 2.91Å; T157-I198 HydrophobicContact CG2-CG1 4.26Å; T157-A211 HydrophobicContact CG2-CB 4.16Å
158E64.2Low68.5Low157 Ų15771.8 Ų71.873%0.73440%0.395SS*.PPolyproline II helixtrans-59.5139.7169.8-67-176.7162.200109.7C160E158-C160 PolarHBondContact O-N 2.63Å
159A56Low66.9Low70 Ų7070.5 Ų70.558%0.57939%0.392SS*.PPolyproline II helixtrans-67.6126.6-179.400000109.8N161A159-N161 VanDerWaalsContact C-N 3.26Å; A159-N161 PolarHBondContact O-N 3.22Å
160C52.3Low65.5Low44 Ų4475 Ų7530%0.29741%0.411SS..SBendtrans-68.8-26.9177.3-56.60000112.5E158 C202E158-C160 PolarHBondContact O-N 2.63Å; C160-C202 HydrophobicContact CB-CB 3.74Å; C160-C202 WeakPolarHBondContact CB-SG 3.32Å; C160-C202 WeakPolarHBondContact SG-CB 3.38Å; C160-C202 CovalentContact SG-SG 2.03Å; C160-C202 PolarHBondContact SG-SG 3.42Å
161N51.5Low64.5Low70 Ų7071.9 Ų71.937%0.37440%0.404SS..  trans-119.7118.5-175.1-70-23.1000111A159 D163 D164A159-N161 VanDerWaalsContact C-N 3.26Å; A159-N161 PolarHBondContact O-N 3.22Å; N161-D163 PolarHBondContact O-N 3.46Å; N161-D164 HydrophobicContact CB-CB 4.14Å; N161-D164 PolarHBondContact O-N 2.8Å
162P44Very low63.7Low111 Ų11172 Ų7272%0.72141%0.405SS*.THydrogen-bonded Turntrans-70.4-16.617627.5-32.6000113.4D164P162-D164 VanDerWaalsContact C-N 3.34Å
163D45.3Very low63.2Low159 Ų15974.1 Ų74.185%0.8542%0.42SS*.THydrogen-bonded Turntrans-83.4-9.5176.5-67.6-30.8000113.1N161 E165N161-D163 PolarHBondContact O-N 3.46Å; D163-E165 PolarHBondContact O-N 3.11Å
164D45.1Very low62.8Low67 Ų6776.9 Ų76.936%0.35844%0.435SS..  trans-82.445.6175.6-157.2-4.4000110.7N161 P162 M166 G167N161-D164 HydrophobicContact CB-CB 4.14Å; N161-D164 PolarHBondContact O-N 2.8Å; P162-D164 VanDerWaalsContact C-N 3.34Å; D164-M166 PolarHBondContact O-N 3.32Å; D164-M166 VanDerWaalsContact O-N 3.15Å; D164-G167 PolarHBondContact O-N 3.39Å; D164-G167 VanDerWaalsContact O-N 3.11Å; D164-G167 PolarHBondContact OD1-N 2.97Å
165E35.8Very low62.4Low185 Ų18585.1 Ų85.186%0.86447%0.47SS*.THydrogen-bonded Turntrans-65-13.6-178.2-87.3-169.4156.100113D163D163-E165 PolarHBondContact O-N 3.11Å
166M34.3Very low62.4Low182 Ų18288.3 Ų88.390%0.89749%0.487SS*.THydrogen-bonded Turntrans-97.8-10.3174.6-74.4-153-172.100114.2D164 I168D164-M166 PolarHBondContact O-N 3.32Å; D164-M166 VanDerWaalsContact O-N 3.15Å; M166-I168 PolarHBondContact O-N 2.77Å; M166-I168 VanDerWaalsContact O-N 3.1Å
167G43.9Very low62.9Low35 Ų3586.4 Ų86.436%0.36147%0.474SS..  trans-67.8106178.100000111.4D164 T169D164-G167 PolarHBondContact O-N 3.39Å; D164-G167 VanDerWaalsContact O-N 3.11Å; D164-G167 PolarHBondContact OD1-N 2.97Å; G167-T169 PolarHBondContact O-N 3.26Å
168I52.3Low64.1Low130 Ų13088.4 Ų88.467%0.66748%0.478SS*.  trans-64.3107.3170.2-60.9174.1000107.5M166 F170M166-I168 PolarHBondContact O-N 2.77Å; M166-I168 VanDerWaalsContact O-N 3.1Å; I168-F170 HydrophobicContact CB-CE2 4.44Å; I168-F170 HydrophobicContact CB-CZ 4.3Å; I168-F170 HydrophobicContact CG2-CD1 4.35Å; I168-F170 HydrophobicContact CG2-CE1 3.97Å; I168-F170 HydrophobicContact CG2-CE2 4.41Å; I168-F170 HydrophobicContact CG2-CZ 4.01Å; I168-F170 VanDerWaalsContact O-CD2 3.3Å; I168-F170 WeakPolarHBondContact O-CD2 3.25Å; I168-F170 WeakPolarHBondContact O-CE2 3.36Å; I168-F170 PolarHBondContact O-N 3.44Å
169T60.2Low65.6Low97 Ų9787.9 Ų87.960%0.59547%0.469SS*.  trans-71.5120.5173.448.80000109.3G167G167-T169 PolarHBondContact O-N 3.26Å
170F68.8Low67.4Low93 Ų9385 Ų8541%0.40844%0.444SS..  trans-95.9129.3176.7-63.9-76.5000110V113 Q154 I168V113-F170 HydrophobicContact CB-CD1 4.22Å; V113-F170 HydrophobicContact CG1-CD1 3.78Å; V113-F170 HydrophobicContact CG1-CE1 4.34Å; V113-F170 HydrophobicContact CG1-CG 4.48Å; V113-F170 HydrophobicContact CG2-CB 4.18Å; V113-F170 HydrophobicContact CG2-CD1 4.1Å; V113-F170 HydrophobicContact CG2-CG 4.09Å; Q154-F170 PolarHBondContact NE2-O 3.27Å; I168-F170 HydrophobicContact CB-CE2 4.44Å; I168-F170 HydrophobicContact CB-CZ 4.3Å; I168-F170 HydrophobicContact CG2-CD1 4.35Å; I168-F170 HydrophobicContact CG2-CE1 3.97Å; I168-F170 HydrophobicContact CG2-CE2 4.41Å; I168-F170 HydrophobicContact CG2-CZ 4.01Å; I168-F170 VanDerWaalsContact O-CD2 3.3Å; I168-F170 WeakPolarHBondContact O-CD2 3.25Å; I168-F170 WeakPolarHBondContact O-CE2 3.36Å; I168-F170 PolarHBondContact O-N 3.44Å
171G75.2Confident69.6Low23 Ų2382.9 Ų82.924%0.23743%0.43CS..SBendtrans146.2163.9175.600000113.6Q154Q154-G171 CarbonylContact O-C 3.37Å; Q154-G171 VanDerWaalsContact O-CA 3.31Å; Q154-G171 WeakPolarHBondContact O-CA 3.34Å
172C81.8Confident71.7Confident4 Ų483.4 Ų83.43%0.02743%0.43CS..BIsolated β-bridgetrans-85.7140.9172.961.20000111.3Q154 S156 D176 C177 L180Q154-C172 PolarHBondContact O-N 3.07Å; Q154-C172 PolarHBondContact O-SG 3.35Å; Q154-C172 VanDerWaalsContact O-SG 3.36Å; S156-C172 PolarHBondContact N-O 2.94Å; S156-C172 VanDerWaalsContact N-O 3.13Å; S156-C172 PolarHBondContact OG-O 3.2Å; C172-D176 HydrophobicContact CB-CB 4.23Å; C172-C177 HydrophobicContact CB-CB 4.36Å; C172-C177 WeakPolarHBondContact CB-SG 3.41Å; C172-C177 PolarHBondContact O-SG 3.25Å; C172-C177 WeakPolarHBondContact SG-CB 3.45Å; C172-C177 CovalentContact SG-SG 2.07Å; C172-C177 PolarHBondContact SG-SG 3.45Å; C172-L180 HydrophobicContact CB-CD1 3.85Å
173S87.2Confident74.2Confident44 Ų4479 Ų7931%0.30840%0.401SS..  trans-66.5153.4163.678.90000109.8K175 D176 C177S173-K175 PolarHBondContact O-N 2.91Å; S173-D176 WeakPolarHBondContact O-CA 3.43Å; S173-D176 PolarHBondContact O-N 3.1Å; S173-D176 VanDerWaalsContact OG-CG 3.29Å; S173-D176 PolarHBondContact OG-N 3.48Å; S173-D176 PolarHBondContact OG-OD2 3.01Å; S173-C177 PolarHBondContact O-N 3.24Å; S173-C177 PolarHBondContact O-SG 3.3Å
174L86.1Confident76.7Confident61 Ų6171.4 Ų71.432%0.31936%0.361SS..Hα-helixtrans-49.9-38.1177-72175.3000113.3C177 R178 D214 I218L174-C177 PolarHBondContact O-N 3.12Å; L174-R178 PolarHBondContact O-N 2.86Å; L174-D214 HydrophobicContact CD2-CB 4.05Å; L174-I218 HydrophobicContact CD2-CD1 3.79Å; L174-I218 HydrophobicContact CD2-CG1 3.75Å
175K85.6Confident79.2Confident178 Ų17873.1 Ų73.177%0.77437%0.366SS*.Hα-helixtrans-66.5-40.9177.8-67.6179.8179.9172.50112.1S173S173-K175 PolarHBondContact O-N 2.91Å
176D89.8Confident82.1Confident71 Ų7172.3 Ų72.338%0.3836%0.362SS..Hα-helixtrans-73.8-34.2178.6-63.6-46.6000111.4C172 S173 R178 R179 L180C172-D176 HydrophobicContact CB-CB 4.23Å; S173-D176 WeakPolarHBondContact O-CA 3.43Å; S173-D176 PolarHBondContact O-N 3.1Å; S173-D176 VanDerWaalsContact OG-CG 3.29Å; S173-D176 PolarHBondContact OG-N 3.48Å; S173-D176 PolarHBondContact OG-OD2 3.01Å; D176-R178 VanDerWaalsContact C-N 3.28Å; D176-R178 PolarHBondContact O-N 2.99Å; D176-R179 WeakPolarHBondContact O-CB 3.41Å; D176-R179 PolarHBondContact O-N 3.45Å; D176-R179 VanDerWaalsContact O-N 3.07Å; D176-L180 WeakPolarHBondContact O-CG 3.31Å; D176-L180 PolarHBondContact O-N 3.32Å
177C92.6Very high85Confident0 Ų067.3 Ų67.30%034%0.338CS..Hα-helixtrans-60.2-37.3177.3-51.80000111.6C172 S173 L174 R179 L180 L181 I218C172-C177 HydrophobicContact CB-CB 4.36Å; C172-C177 WeakPolarHBondContact CB-SG 3.41Å; C172-C177 PolarHBondContact O-SG 3.25Å; C172-C177 WeakPolarHBondContact SG-CB 3.45Å; C172-C177 CovalentContact SG-SG 2.07Å; C172-C177 PolarHBondContact SG-SG 3.45Å; S173-C177 PolarHBondContact O-N 3.24Å; S173-C177 PolarHBondContact O-SG 3.3Å; L174-C177 PolarHBondContact O-N 3.12Å; C177-R179 PolarHBondContact O-N 3.42Å; C177-L180 PolarHBondContact O-N 2.97Å; C177-L181 WeakPolarHBondContact O-CG 3.27Å; C177-L181 PolarHBondContact O-N 3.46Å; C177-I218 HydrophobicContact CB-CD1 4.29Å; C177-I218 HydrophobicContact CB-CG1 4.26Å
178R94.2Very high87.5Confident75 Ų7568.4 Ų68.428%0.28335%0.349SS..Hα-helixtrans-58.3-47.4172-178.860.7177.1-135.78.1112.2L174 D176 L180 L181 E182 M221 E224L174-R178 PolarHBondContact O-N 2.86Å; D176-R178 VanDerWaalsContact C-N 3.28Å; D176-R178 PolarHBondContact O-N 2.99Å; R178-L180 VanDerWaalsContact C-N 3.3Å; R178-L180 PolarHBondContact O-N 3.08Å; R178-L181 PolarHBondContact O-N 3.23Å; R178-E182 IonicContact CZ-OE1 2.63Å; R178-E182 IonicContact NE-OE1 3.79Å; R178-E182 PolarHBondContact NE-OE1 3.31Å; R178-E182 IonicContact NH2-OE1 3.2Å; R178-E182 WeakPolarHBondContact O-CG 3.5Å; R178-E182 PolarHBondContact O-N 3.23Å; R178-E182 VanDerWaalsContact O-N 3.11Å; R178-M221 HydrophobicContact CB-SD 3.84Å; R178-M221 HydrophobicContact CG-SD 4.29Å; R178-E224 IonicContact CZ-OE2 3.79Å; R178-E224 IonicContact NH1-OE2 2.98Å; R178-E224 PolarHBondContact NH1-OE2 3.45Å; R178-E224 IonicContact NH2-OE2 2.95Å; R178-E224 PolarHBondContact NH2-OE2 3.43Å
179R94.8Very high89.6Confident147 Ų14762.3 Ų62.356%0.55532%0.318SS*.Hα-helixtrans-64.5-36.7178.9-65.1177.461.3-165.8-4.5111.8D176 C177 S183D176-R179 WeakPolarHBondContact O-CB 3.41Å; D176-R179 PolarHBondContact O-N 3.45Å; D176-R179 VanDerWaalsContact O-N 3.07Å; C177-R179 PolarHBondContact O-N 3.42Å; R179-S183 WeakPolarHBondContact O-CB 3.48Å; R179-S183 PolarHBondContact O-N 3.23Å; R179-S183 PolarHBondContact O-OG 3Å
180L95.6Very high91.3Very high9 Ų963.1 Ų63.15%0.04732%0.315CS..Hα-helixtrans-66.8-41.7176.2-70.6175.1000112D134 N135 E136 L139 C172 D176 C177 R178 S183 A184D134-L180 WeakPolarHBondContact O-CD1 3.45Å; N135-L180 VanDerWaalsContact C-CD2 3.47Å; E136-L180 HydrophobicContact CB-CD2 3.91Å; E136-L180 VanDerWaalsContact N-CD2 3.32Å; L139-L180 HydrophobicContact CD2-CD2 4.48Å; C172-L180 HydrophobicContact CB-CD1 3.85Å; D176-L180 WeakPolarHBondContact O-CG 3.31Å; D176-L180 PolarHBondContact O-N 3.32Å; C177-L180 PolarHBondContact O-N 2.97Å; R178-L180 VanDerWaalsContact C-N 3.3Å; R178-L180 PolarHBondContact O-N 3.08Å; L180-S183 PolarHBondContact O-N 3.49Å; L180-A184 VanDerWaalsContact O-CB 3.28Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.97Å
181L97.2Very high92.7Very high0 Ų058.8 Ų58.80%030%0.296CS..Hα-helixtrans-59.7-49.2174.9-72.6165.8000111.2L153 C177 R178 S183 A184 K185 V191 I218 M221 V225 F227L153-L181 HydrophobicContact CD1-CD2 3.63Å; L153-L181 HydrophobicContact CD1-CG 3.76Å; C177-L181 WeakPolarHBondContact O-CG 3.27Å; C177-L181 PolarHBondContact O-N 3.46Å; R178-L181 PolarHBondContact O-N 3.23Å; L181-S183 PolarHBondContact O-N 2.91Å; L181-A184 PolarHBondContact O-N 3.48Å; L181-K185 PolarHBondContact O-N 2.85Å; L181-V191 HydrophobicContact CD2-CB 4.09Å; L181-V191 HydrophobicContact CD2-CG1 3.87Å; L181-V191 HydrophobicContact CD2-CG2 4.15Å; L181-I218 HydrophobicContact CD1-CG2 4.27Å; L181-M221 HydrophobicContact CD1-CB 3.78Å; L181-V225 HydrophobicContact CB-CG2 4.36Å; L181-F227 HydrophobicContact CB-CE2 4.2Å; L181-F227 HydrophobicContact CD2-CD2 3.84Å; L181-F227 HydrophobicContact CD2-CE2 3.91Å; L181-F227 VanDerWaalsContact O-CE2 3.3Å; L181-F227 WeakPolarHBondContact O-CE2 3.46Å
182E96.4Very high93.8Very high80 Ų8058.1 Ų58.137%0.37429%0.288SS..Hα-helixtrans-59.3-47177.3-70.6169.3-179.800111.2R178 A184 K185 E186 V225R178-E182 IonicContact CZ-OE1 2.63Å; R178-E182 IonicContact NE-OE1 3.79Å; R178-E182 PolarHBondContact NE-OE1 3.31Å; R178-E182 IonicContact NH2-OE1 3.2Å; R178-E182 WeakPolarHBondContact O-CG 3.5Å; R178-E182 PolarHBondContact O-N 3.23Å; R178-E182 VanDerWaalsContact O-N 3.11Å; E182-A184 VanDerWaalsContact C-N 3.33Å; E182-A184 PolarHBondContact O-N 2.7Å; E182-K185 WeakPolarHBondContact O-CB 3.49Å; E182-K185 PolarHBondContact O-N 3.46Å; E182-E186 WeakPolarHBondContact O-CG 3.33Å; E182-E186 PolarHBondContact O-N 3.32Å; E182-V225 HydrophobicContact CG-CG2 4.18Å
183S96.8Very high94.5Very high18 Ų1857.9 Ų57.913%0.12629%0.286CS..Hα-helixtrans-62.5-38.7176.9-57.90000112.3R179 L180 L181 K185 E186 L187R179-S183 WeakPolarHBondContact O-CB 3.48Å; R179-S183 PolarHBondContact O-N 3.23Å; R179-S183 PolarHBondContact O-OG 3Å; L180-S183 PolarHBondContact O-N 3.49Å; L181-S183 PolarHBondContact O-N 2.91Å; S183-K185 VanDerWaalsContact C-N 3.28Å; S183-K185 PolarHBondContact O-N 3.13Å; S183-E186 PolarHBondContact O-N 3.39Å; S183-L187 WeakPolarHBondContact O-CB 3.27Å; S183-L187 VanDerWaalsContact O-CG 3.22Å; S183-L187 WeakPolarHBondContact O-CG 3.24Å; S183-L187 PolarHBondContact O-N 3.38Å
184A97.1Very high95Very high1 Ų155.8 Ų55.81%0.00827%0.272CS..Hα-helixtrans-65.2-37.4178.500000110.7L139 L180 L181 E182 L187 G188 V189 V191 F227L139-A184 HydrophobicContact CD1-CB 3.91Å; L139-A184 HydrophobicContact CD2-CB 4Å; L180-A184 VanDerWaalsContact O-CB 3.28Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.97Å; L181-A184 PolarHBondContact O-N 3.48Å; E182-A184 VanDerWaalsContact C-N 3.33Å; E182-A184 PolarHBondContact O-N 2.7Å; A184-L187 PolarHBondContact O-N 3.46Å; A184-G188 PolarHBondContact O-N 3.47Å; A184-V189 PolarHBondContact O-N 2.85Å; A184-V191 HydrophobicContact CB-CG2 3.69Å; A184-F227 HydrophobicContact CB-CZ 3.9Å
185K96.9Very high95.4Very high103 Ų10353.3 Ų53.345%0.44826%0.258SS..Hα-helixtrans-66.1-44.5176.8-168.666.8170.2-170.80111.3L181 E182 S183 L187 G188 V225 G226 F227L181-K185 PolarHBondContact O-N 2.85Å; E182-K185 WeakPolarHBondContact O-CB 3.49Å; E182-K185 PolarHBondContact O-N 3.46Å; S183-K185 VanDerWaalsContact C-N 3.28Å; S183-K185 PolarHBondContact O-N 3.13Å; K185-L187 VanDerWaalsContact C-N 3.32Å; K185-L187 PolarHBondContact O-N 3.3Å; K185-G188 PolarHBondContact O-N 2.72Å; K185-V225 HydrophobicContact CB-CG1 3.64Å; K185-V225 HydrophobicContact CD-CG1 4.24Å; K185-V225 WeakPolarHBondContact CE-O 3.46Å; K185-V225 HydrophobicContact CG-CG1 3.85Å; K185-G226 PolarHBondContact NZ-O 3.47Å; K185-F227 HydrophobicContact CB-CE2 4.26Å; K185-F227 HydrophobicContact CB-CZ 3.85Å; K185-F227 HydrophobicContact CD-CE1 4.2Å; K185-F227 HydrophobicContact CD-CZ 4.07Å
186E97Very high95.6Very high168 Ų16845 Ų4579%0.78522%0.222SC*.Hα-helixtrans-62.4-38.8175.6-70.4-18017800112.5E182 S183 G188E182-E186 WeakPolarHBondContact O-CG 3.33Å; E182-E186 PolarHBondContact O-N 3.32Å; S183-E186 PolarHBondContact O-N 3.39Å; E186-G188 VanDerWaalsContact C-N 3.28Å; E186-G188 PolarHBondContact O-N 2.87Å
187L96.4Very high95.3Very high76 Ų7645.7 Ų45.740%0.39822%0.223SC..Hα-helixtrans-80.7-6.7178.8-67.2170.4000113.6L139 R140 S183 A184 K185 V189L139-L187 HydrophobicContact CD2-CD1 4.06Å; L139-L187 HydrophobicContact CG-CD1 3.85Å; R140-L187 HydrophobicContact CG-CD1 4.04Å; S183-L187 WeakPolarHBondContact O-CB 3.27Å; S183-L187 VanDerWaalsContact O-CG 3.22Å; S183-L187 WeakPolarHBondContact O-CG 3.24Å; S183-L187 PolarHBondContact O-N 3.38Å; A184-L187 PolarHBondContact O-N 3.46Å; K185-L187 VanDerWaalsContact C-N 3.32Å; K185-L187 PolarHBondContact O-N 3.3Å; L187-V189 VanDerWaalsContact C-N 3.32Å; L187-V189 HydrophobicContact CB-CG2 4.36Å; L187-V189 PolarHBondContact O-N 3.28Å
188G95.4Very high94.7Very high58 Ų5845.8 Ų45.860%0.59822%0.224SC*.THydrogen-bonded Turntrans71.720.7179.700000114.8A184 K185 E186A184-G188 PolarHBondContact O-N 3.47Å; K185-G188 PolarHBondContact O-N 2.72Å; E186-G188 VanDerWaalsContact C-N 3.28Å; E186-G188 PolarHBondContact O-N 2.87Å
189V96.1Very high93.8Very high3 Ų344.5 Ų44.52%0.01823%0.226CC..PPolyproline II helixtrans-92.7140.3177.2-175.50000109.8L139 S143 L151 A184 L187 F227L139-V189 HydrophobicContact CD1-CB 4.29Å; L139-V189 HydrophobicContact CD1-CG1 4.47Å; L139-V189 HydrophobicContact CD1-CG2 4.46Å; S143-V189 VanDerWaalsContact CB-CG2 3.42Å; L151-V189 HydrophobicContact CD1-CB 4.48Å; L151-V189 HydrophobicContact CD1-CG1 3.56Å; L151-V189 HydrophobicContact CD2-CG1 4.46Å; L151-V189 HydrophobicContact CG-CG1 3.73Å; A184-V189 PolarHBondContact O-N 2.85Å; L187-V189 VanDerWaalsContact C-N 3.32Å; L187-V189 HydrophobicContact CB-CG2 4.36Å; L187-V189 PolarHBondContact O-N 3.28Å; V189-F227 WeakPolarHBondContact O-CE1 3.36Å
190Q97.3Very high92.6Very high113 Ų11339.8 Ų39.853%0.52822%0.216SC..EExtended strand (participates in β ladder)trans-82.1130.7179.8-63.9-173.27.900111L151 V192L151-Q190 WeakPolarHBondContact CB-O 3.37Å; L151-Q190 PolarHBondContact N-O 3.3Å; Q190-V192 HydrophobicContact CB-CG1 4.5Å
191V97.9Very high91.2Very high2 Ų242.7 Ų42.71%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-103128.6164-174.50000107.4L151 L153 L181 A184 F227 M229L151-V191 HydrophobicContact CB-CG2 4.36Å; L153-V191 HydrophobicContact CD1-CG1 3.98Å; L153-V191 HydrophobicContact CG-CG1 3.78Å; L181-V191 HydrophobicContact CD2-CB 4.09Å; L181-V191 HydrophobicContact CD2-CG1 3.87Å; L181-V191 HydrophobicContact CD2-CG2 4.15Å; A184-V191 HydrophobicContact CB-CG2 3.69Å; V191-F227 HydrophobicContact CB-CD1 4.12Å; V191-F227 HydrophobicContact CB-CD2 4.26Å; V191-F227 HydrophobicContact CB-CE1 4.27Å; V191-F227 HydrophobicContact CB-CE2 4.38Å; V191-F227 HydrophobicContact CB-CG 4.12Å; V191-F227 HydrophobicContact CB-CZ 4.37Å; V191-F227 HydrophobicContact CG2-CE1 4.18Å; V191-F227 HydrophobicContact CG2-CE2 4.19Å; V191-F227 HydrophobicContact CG2-CZ 3.98Å; V191-M229 HydrophobicContact CB-SD 4.41Å; V191-M229 HydrophobicContact CG1-CE 4.18Å; V191-M229 HydrophobicContact CG1-SD 3.87Å
192V97.8Very high90Very high9 Ų942.9 Ų42.96%0.05524%0.235CC..EExtended strand (participates in β ladder)trans-119.9-8.8-173.9-60.80000112.9L130 K150 L151 L152 Q190 M229 N230 I231L130-V192 HydrophobicContact CD1-CG2 3.71Å; K150-V192 HydrophobicContact CB-CB 4.46Å; K150-V192 HydrophobicContact CB-CG1 3.75Å; K150-V192 HydrophobicContact CB-CG2 3.83Å; K150-V192 HydrophobicContact CD-CG1 4.22Å; K150-V192 HydrophobicContact CG-CG1 3.91Å; L151-V192 WeakPolarHBondContact O-CG2 3.36Å; L151-V192 PolarHBondContact O-N 3.3Å; L152-V192 HydrophobicContact CD2-CG2 3.98Å; Q190-V192 HydrophobicContact CB-CG1 4.5Å; V192-M229 CarbonylContact O-C 3.57Å; V192-M229 WeakPolarHBondContact O-CA 3.4Å; V192-N230 PolarHBondContact O-N 2.88Å; V192-N230 PolarHBondContact O-OD1 2.7Å; V192-N230 VanDerWaalsContact O-OD1 3.14Å; V192-I231 HydrophobicContact CG2-CD1 4.12Å; V192-I231 PolarHBondContact O-N 3.44Å
193G97.2Very high88.9Confident0 Ų046.4 Ų46.40%026%0.257CS..EExtended strand (participates in β ladder)trans-178.8-176.7-173.600000115L151 L152 L153 I231L151-G193 PolarHBondContact O-N 3.44Å; L152-G193 WeakPolarHBondContact CA-O 3.35Å; L153-G193 PolarHBondContact N-O 3.15Å; G193-I231 CarbonylContact C-O 3.58Å; G193-I231 WeakPolarHBondContact CA-O 3.29Å
194V96.4Very high88.1Confident0 Ų049.5 Ų49.50%027%0.272CS..EExtended strand (participates in β ladder)trans-128.4142.4-178.7-176.50000108.5L153 V155 A215 I218 F219 M229 I231 D233L153-V194 CarbonylContact O-C 3.54Å; L153-V194 WeakPolarHBondContact O-CA 3.44Å; V155-V194 HydrophobicContact CG2-CG1 3.37Å; V194-A215 HydrophobicContact CB-CB 4.23Å; V194-A215 HydrophobicContact CG1-CB 4.01Å; V194-I218 HydrophobicContact CG1-CD1 4.1Å; V194-I218 HydrophobicContact CG2-CB 3.87Å; V194-I218 HydrophobicContact CG2-CG2 3.49Å; V194-I218 VanDerWaalsContact CG2-CG2 3.49Å; V194-F219 HydrophobicContact CB-CD2 4.33Å; V194-F219 HydrophobicContact CB-CE2 3.91Å; V194-F219 HydrophobicContact CG2-CD2 3.63Å; V194-F219 HydrophobicContact CG2-CE2 3.63Å; V194-M229 HydrophobicContact CG2-CE 3.75Å; V194-I231 PolarHBondContact N-O 3.36Å; V194-I231 VanDerWaalsContact N-O 3.13Å; V194-D233 PolarHBondContact O-N 3.08Å
195R94.4Very high87.2Confident9 Ų952.1 Ų52.13%0.03429%0.286CS..EExtended strand (participates in β ladder)trans-122.7132.7175.2174.2174.8179.9-136.49.6110.2S111 L152 L153 Q154 V155 D233 E271S111-R195 PolarHBondContact O-NH1 3.47Å; L152-R195 HydrophobicContact CB-CB 4.3Å; L153-R195 PolarHBondContact O-N 3.17Å; Q154-R195 CarbonylContact C-O 3.56Å; Q154-R195 VanDerWaalsContact CA-O 3.27Å; Q154-R195 WeakPolarHBondContact CA-O 3.5Å; V155-R195 PolarHBondContact N-O 3.38Å; R195-D233 CarbonylContact C-O 3.58Å; R195-D233 WeakPolarHBondContact CA-O 3.38Å; R195-D233 HydrophobicContact CB-CB 3.95Å; R195-D233 VanDerWaalsContact CD-OD2 3.31Å; R195-D233 WeakPolarHBondContact CD-OD2 3.01Å; R195-D233 HydrophobicContact CG-CB 4.1Å; R195-D233 WeakPolarHBondContact CG-OD2 3.46Å; R195-D233 IonicContact NE-OD2 2.6Å; R195-E271 IonicContact CZ-OE1 3.59Å; R195-E271 VanDerWaalsContact CZ-OE1 3.28Å; R195-E271 IonicContact CZ-OE2 3.95Å; R195-E271 VanDerWaalsContact CZ-OE2 3.25Å; R195-E271 VanDerWaalsContact NE-CD 3.29Å; R195-E271 IonicContact NE-OE1 3.99Å; R195-E271 PolarHBondContact NE-OE1 3.22Å; R195-E271 IonicContact NE-OE2 3.92Å; R195-E271 PolarHBondContact NE-OE2 2.92Å; R195-E271 VanDerWaalsContact NE-OE2 3.1Å; R195-E271 VanDerWaalsContact NH2-CD 3.35Å; R195-E271 IonicContact NH2-OE1 2.88Å; R195-E271 PolarHBondContact NH2-OE1 3.45Å; R195-E271 IonicContact NH2-OE2 3.31Å; R195-E271 PolarHBondContact NH2-OE2 3.26Å
196S89.8Confident86.6Confident3 Ų351.4 Ų51.42%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-103.8155.7168.3-62.60000110D233 G235S196-D233 PolarHBondContact N-O 2.86Å; S196-G235 WeakPolarHBondContact O-CA 3.39Å
197H83.2Confident86.1Confident85 Ų8544.2 Ų44.239%0.39425%0.251SS..  trans-123.4109.4173.3-178.568.1000109.2T157T157-H197 PolarHBondContact OG1-O 2.91Å
198I81.6Confident85.7Confident3 Ų340.8 Ų40.82%0.01523%0.233CC..  trans-113.6129.8178.7-59.4169.3000107.7T157 C202 V207 Y208 A211 G236 G237T157-I198 HydrophobicContact CG2-CG1 4.26Å; I198-C202 HydrophobicContact CG2-CB 4.1Å; I198-V207 HydrophobicContact CD1-CG1 4.32Å; I198-V207 HydrophobicContact CG1-CG1 4.22Å; I198-V207 HydrophobicContact CG2-CG1 4.43Å; I198-Y208 HydrophobicContact CB-CE1 4.29Å; I198-Y208 HydrophobicContact CD1-CD1 3.28Å; I198-Y208 HydrophobicContact CD1-CD2 4.15Å; I198-Y208 HydrophobicContact CD1-CE1 3.43Å; I198-Y208 VanDerWaalsContact CD1-CE1 3.43Å; I198-Y208 HydrophobicContact CD1-CE2 4.28Å; I198-Y208 HydrophobicContact CD1-CG 3.67Å; I198-Y208 HydrophobicContact CG1-CE1 4.44Å; I198-Y208 HydrophobicContact CG2-CE1 4.29Å; I198-Y208 HydrophobicContact CG2-CE2 3.92Å; I198-A211 HydrophobicContact CD1-CB 4.27Å; I198-G236 CarbonylContact O-C 3.57Å; I198-G236 VanDerWaalsContact O-C 3.24Å; I198-G237 PolarHBondContact O-N 2.9Å
199S75.5Confident85.5Confident48 Ų4838.6 Ų38.634%0.33621%0.209SC..  trans-70.2146.4178.3-177.40000110.7T201 C202S199-T201 PolarHBondContact O-N 3.02Å; S199-T201 PolarHBondContact OG-N 3.32Å; S199-T201 PolarHBondContact OG-OG1 3.17Å; S199-C202 VanDerWaalsContact O-CB 3.3Å; S199-C202 WeakPolarHBondContact O-CB 3.19Å; S199-C202 PolarHBondContact O-N 2.94Å; S199-C202 VanDerWaalsContact O-N 3.15Å
200S68.2Low85.1Confident48 Ų4843.4 Ų43.434%0.33623%0.231SC..THydrogen-bonded Turntrans-69.3-13.1172.452.90000113.8C202S200-C202 VanDerWaalsContact C-N 3.3Å
201T67.1Low84.8Confident70 Ų7038.4 Ų38.443%0.42921%0.209SC..THydrogen-bonded Turntrans-88.21.7174.157.20000112.8S199 D203S199-T201 PolarHBondContact O-N 3.02Å; S199-T201 PolarHBondContact OG-N 3.32Å; S199-T201 PolarHBondContact OG-OG1 3.17Å; T201-D203 PolarHBondContact O-N 3.26Å
202C72.1Confident84.6Confident4 Ų438.5 Ų38.53%0.02721%0.209CC..  trans-82.2114.7175.6-170.60000110.4C160 I198 S199 S200C160-C202 HydrophobicContact CB-CB 3.74Å; C160-C202 WeakPolarHBondContact CB-SG 3.32Å; C160-C202 WeakPolarHBondContact SG-CB 3.38Å; C160-C202 CovalentContact SG-SG 2.03Å; C160-C202 PolarHBondContact SG-SG 3.42Å; I198-C202 HydrophobicContact CG2-CB 4.1Å; S199-C202 VanDerWaalsContact O-CB 3.3Å; S199-C202 WeakPolarHBondContact O-CB 3.19Å; S199-C202 PolarHBondContact O-N 2.94Å; S199-C202 VanDerWaalsContact O-N 3.15Å; S200-C202 VanDerWaalsContact C-N 3.3Å
203D72Confident84.4Confident154 Ų15440 Ų4082%0.82422%0.22SC*.  trans-89.7-11.1177.2-71.1-29.5000113.2T201T201-D203 PolarHBondContact O-N 3.26Å
204D80.3Confident84.2Confident82 Ų8242.6 Ų42.644%0.43923%0.234SC..  trans-86.7110.5-180-171-3.8000111.4Q206 V207D204-Q206 PolarHBondContact O-N 2.88Å; D204-Q206 VanDerWaalsContact OD1-CB 3.23Å; D204-Q206 WeakPolarHBondContact OD1-CB 3.47Å; D204-Q206 WeakPolarHBondContact OD1-CG 3.38Å; D204-Q206 PolarHBondContact OD1-N 3.12Å; D204-V207 HydrophobicContact CB-CG2 4.15Å; D204-V207 PolarHBondContact O-N 3.35Å
205D79.4Confident84.1Confident57 Ų5742.6 Ų42.631%0.30523%0.234SC..THydrogen-bonded Turntrans-69.6-20.6178.571.5-29.3000113V207 Y208 A251D205-V207 PolarHBondContact O-N 2.9Å; D205-Y208 PolarHBondContact O-N 3.48Å; D205-A251 HydrophobicContact CB-CB 4.22Å
206Q83.9Confident84.2Confident88 Ų8843.6 Ų43.641%0.41124%0.238SC..Hα-helixtrans-65.9-23.2178.8-58.2-53-59.700112.5D204 Y208 S209 H210D204-Q206 PolarHBondContact O-N 2.88Å; D204-Q206 VanDerWaalsContact OD1-CB 3.23Å; D204-Q206 WeakPolarHBondContact OD1-CB 3.47Å; D204-Q206 WeakPolarHBondContact OD1-CG 3.38Å; D204-Q206 PolarHBondContact OD1-N 3.12Å; Q206-Y208 VanDerWaalsContact C-N 3.28Å; Q206-Y208 PolarHBondContact O-N 3.2Å; Q206-S209 WeakPolarHBondContact O-CA 3.45Å; Q206-S209 WeakPolarHBondContact O-CB 3.26Å; Q206-S209 PolarHBondContact O-N 2.75Å; Q206-H210 PolarHBondContact O-N 3.43Å
207V86.7Confident84.5Confident17 Ų1746 Ų4610%0.10325%0.254CS..Hα-helixtrans-62.7-37177.5177.60000111.5I198 D204 D205 S209 A211I198-V207 HydrophobicContact CD1-CG1 4.32Å; I198-V207 HydrophobicContact CG1-CG1 4.22Å; I198-V207 HydrophobicContact CG2-CG1 4.43Å; D204-V207 HydrophobicContact CB-CG2 4.15Å; D204-V207 PolarHBondContact O-N 3.35Å; D205-V207 PolarHBondContact O-N 2.9Å; V207-S209 VanDerWaalsContact C-N 3.34Å; V207-A211 VanDerWaalsContact O-CB 3.24Å; V207-A211 WeakPolarHBondContact O-CB 3.38Å; V207-A211 PolarHBondContact O-N 3.23Å
208Y88.1Confident85.1Confident3 Ų342 Ų421%0.01224%0.235CC..Hα-helixtrans-64.2-41172.6-69.7-89.9000111.4I198 D205 Q206 A211 I212 G236 G237 I248 V252I198-Y208 HydrophobicContact CB-CE1 4.29Å; I198-Y208 HydrophobicContact CD1-CD1 3.28Å; I198-Y208 HydrophobicContact CD1-CD2 4.15Å; I198-Y208 HydrophobicContact CD1-CE1 3.43Å; I198-Y208 VanDerWaalsContact CD1-CE1 3.43Å; I198-Y208 HydrophobicContact CD1-CE2 4.28Å; I198-Y208 HydrophobicContact CD1-CG 3.67Å; I198-Y208 HydrophobicContact CG1-CE1 4.44Å; I198-Y208 HydrophobicContact CG2-CE1 4.29Å; I198-Y208 HydrophobicContact CG2-CE2 3.92Å; D205-Y208 PolarHBondContact O-N 3.48Å; Q206-Y208 VanDerWaalsContact C-N 3.28Å; Q206-Y208 PolarHBondContact O-N 3.2Å; Y208-A211 PolarHBondContact O-N 3.4Å; Y208-I212 WeakPolarHBondContact O-CD1 3.45Å; Y208-I212 WeakPolarHBondContact O-CG1 3.4Å; Y208-I212 PolarHBondContact O-N 2.84Å; Y208-G236 PolarHBondContact OH-O 3.08Å; Y208-G237 WeakPolarHBondContact OH-CA 3.47Å; Y208-G237 PolarHBondContact OH-O 3.07Å; Y208-I248 HydrophobicContact CD1-CG2 3.98Å; Y208-I248 HydrophobicContact CD2-CG1 4.34Å; Y208-I248 HydrophobicContact CD2-CG2 4.16Å; Y208-I248 HydrophobicContact CE1-CG2 3.86Å; Y208-I248 HydrophobicContact CE2-CD1 4Å; Y208-I248 HydrophobicContact CE2-CG1 3.83Å; Y208-I248 HydrophobicContact CE2-CG2 4.05Å; Y208-I248 HydrophobicContact CG-CG2 4.13Å; Y208-V252 HydrophobicContact CD1-CG2 3.87Å; Y208-V252 HydrophobicContact CG-CG2 4.03Å
209S89.9Confident85.8Confident12 Ų1241.9 Ų41.98%0.08424%0.235CC..Hα-helixtrans-64.4-44179.4-62.10000112Q206 V207 I212 S213 M255Q206-S209 WeakPolarHBondContact O-CA 3.45Å; Q206-S209 WeakPolarHBondContact O-CB 3.26Å; Q206-S209 PolarHBondContact O-N 2.75Å; V207-S209 VanDerWaalsContact C-N 3.34Å; S209-I212 PolarHBondContact O-N 2.89Å; S209-S213 PolarHBondContact O-N 2.83Å; S209-S213 VanDerWaalsContact O-N 3.1Å; S209-M255 VanDerWaalsContact O-CE 3.23Å; S209-M255 WeakPolarHBondContact O-CE 3.09Å
210H89.3Confident86.8Confident104 Ų10442.9 Ų42.948%0.48124%0.237SC..Hα-helixtrans-64.3-45.1174.7-67.8173.6000111.6Q206 I212 S213 D214Q206-H210 PolarHBondContact O-N 3.43Å; H210-I212 VanDerWaalsContact C-N 3.31Å; H210-I212 PolarHBondContact O-N 3.14Å; H210-S213 WeakPolarHBondContact O-CB 3.38Å; H210-S213 PolarHBondContact O-N 3.03Å; H210-S213 VanDerWaalsContact O-N 3.12Å; H210-D214 PolarHBondContact O-N 3.11Å
211A90.4Very high88.2Confident8 Ų841.8 Ų41.87%0.06623%0.226CC..Hα-helixtrans-58-41.1178.200000112.6T157 I198 V207 Y208 D214 A215T157-A211 HydrophobicContact CG2-CB 4.16Å; I198-A211 HydrophobicContact CD1-CB 4.27Å; V207-A211 VanDerWaalsContact O-CB 3.24Å; V207-A211 WeakPolarHBondContact O-CB 3.38Å; V207-A211 PolarHBondContact O-N 3.23Å; Y208-A211 PolarHBondContact O-N 3.4Å; A211-D214 PolarHBondContact O-N 3.11Å; A211-A215 WeakPolarHBondContact O-CB 3.32Å; A211-A215 PolarHBondContact O-N 3.37Å
212I93.3Very high89.6Confident4 Ų438.4 Ų38.42%0.02121%0.206CC..Hα-helixtrans-69.7-38.4177.3-64.1161.9000111.1Y208 S209 H210 A215 R216 L232 V252 M255 V256 Y259 F260Y208-I212 WeakPolarHBondContact O-CD1 3.45Å; Y208-I212 WeakPolarHBondContact O-CG1 3.4Å; Y208-I212 PolarHBondContact O-N 2.84Å; S209-I212 PolarHBondContact O-N 2.89Å; H210-I212 VanDerWaalsContact C-N 3.31Å; H210-I212 PolarHBondContact O-N 3.14Å; I212-A215 PolarHBondContact O-N 3.32Å; I212-R216 PolarHBondContact O-N 3.35Å; I212-L232 HydrophobicContact CG2-CD2 4.47Å; I212-V252 HydrophobicContact CD1-CB 4.07Å; I212-V252 HydrophobicContact CD1-CG1 3.78Å; I212-V252 HydrophobicContact CD1-CG2 4.13Å; I212-M255 HydrophobicContact CB-CB 4.13Å; I212-M255 HydrophobicContact CD1-CB 3.97Å; I212-M255 HydrophobicContact CG2-CB 3.82Å; I212-V256 HydrophobicContact CD1-CG2 4.39Å; I212-Y259 HydrophobicContact CG2-CD2 4.2Å; I212-F260 HydrophobicContact CG2-CD2 3.97Å; I212-F260 HydrophobicContact CG2-CE2 3.77Å
213S93.3Very high90.8Very high41 Ų4142.9 Ų42.929%0.28723%0.226SC..Hα-helixtrans-62.2-44.4174.7-174.60000111.7S209 H210 A215 R216 C217S209-S213 PolarHBondContact O-N 2.83Å; S209-S213 VanDerWaalsContact O-N 3.1Å; H210-S213 WeakPolarHBondContact O-CB 3.38Å; H210-S213 PolarHBondContact O-N 3.03Å; H210-S213 VanDerWaalsContact O-N 3.12Å; S213-A215 VanDerWaalsContact C-N 3.35Å; S213-R216 WeakPolarHBondContact O-CB 3.49Å; S213-R216 PolarHBondContact O-N 2.93Å; S213-C217 PolarHBondContact O-N 3.18Å
214D93.1Very high92Very high54 Ų5442.1 Ų42.129%0.28922%0.218SC..Hα-helixtrans-64.8-40.9175.7-78.7-5.5000111.5L174 H210 A211 R216 C217 I218L174-D214 HydrophobicContact CD2-CB 4.05Å; H210-D214 PolarHBondContact O-N 3.11Å; A211-D214 PolarHBondContact O-N 3.11Å; D214-R216 VanDerWaalsContact C-N 3.32Å; D214-R216 PolarHBondContact O-N 3.07Å; D214-C217 WeakPolarHBondContact O-CB 3.35Å; D214-C217 PolarHBondContact O-N 3.02Å; D214-I218 WeakPolarHBondContact O-CG1 3.49Å; D214-I218 PolarHBondContact O-N 3.16Å; D214-I218 VanDerWaalsContact O-N 3.07Å
215A94.9Very high92.7Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-59.5-42.4173.800000111.5V194 A211 I212 S213 C217 I218 F219 L232 F260V194-A215 HydrophobicContact CB-CB 4.23Å; V194-A215 HydrophobicContact CG1-CB 4.01Å; A211-A215 WeakPolarHBondContact O-CB 3.32Å; A211-A215 PolarHBondContact O-N 3.37Å; I212-A215 PolarHBondContact O-N 3.32Å; S213-A215 VanDerWaalsContact C-N 3.35Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 3.12Å; A215-I218 PolarHBondContact O-N 2.84Å; A215-I218 VanDerWaalsContact O-N 3.1Å; A215-F219 WeakPolarHBondContact O-CD2 3.47Å; A215-F219 PolarHBondContact O-N 2.86Å; A215-L232 HydrophobicContact CB-CD1 3.5Å; A215-L232 VanDerWaalsContact CB-CD1 3.5Å; A215-F260 HydrophobicContact CB-CZ 4.38Å
216R95.9Very high93.6Very high31 Ų3138.9 Ų38.912%0.11721%0.212CC..Hα-helixtrans-58.4-45175.9-179.464.2-102.4174.80.9112I212 S213 D214 I218 F219 D220 E223 Y259 F260I212-R216 PolarHBondContact O-N 3.35Å; S213-R216 WeakPolarHBondContact O-CB 3.49Å; S213-R216 PolarHBondContact O-N 2.93Å; D214-R216 VanDerWaalsContact C-N 3.32Å; D214-R216 PolarHBondContact O-N 3.07Å; R216-I218 VanDerWaalsContact C-N 3.27Å; R216-I218 PolarHBondContact O-N 2.86Å; R216-F219 WeakPolarHBondContact O-CB 3.22Å; R216-F219 PolarHBondContact O-N 2.84Å; R216-D220 IonicContact CZ-OD1 3.28Å; R216-D220 IonicContact NE-OD1 3.2Å; R216-D220 PolarHBondContact NE-OD1 3.36Å; R216-D220 IonicContact NE-OD2 3.1Å; R216-D220 IonicContact NH2-OD1 3.13Å; R216-D220 PolarHBondContact NH2-OD1 3.1Å; R216-D220 PolarHBondContact O-N 2.91Å; R216-E223 IonicContact NH2-OE1 3.78Å; R216-E223 PolarHBondContact NH2-OE1 3.32Å; R216-E223 IonicContact NH2-OE2 3.53Å; R216-Y259 HydrophobicContact CB-CD1 4.21Å; R216-Y259 HydrophobicContact CB-CD2 4.45Å; R216-Y259 HydrophobicContact CB-CG 4.01Å; R216-Y259 WeakPolarHBondContact CD-O 3.27Å; R216-Y259 HydrophobicContact CG-CD1 3.75Å; R216-Y259 HydrophobicContact CG-CE1 4.44Å; R216-Y259 HydrophobicContact CG-CG 3.98Å; R216-Y259 PolarHBondContact NH1-O 3.23Å; R216-F260 HydrophobicContact CB-CE2 4.19Å; R216-F260 HydrophobicContact CB-CZ 3.93Å
217C95.4Very high94.2Very high54 Ų5435.8 Ų35.837%0.36520%0.197SC..Hα-helixtrans-57.6-42.2175.8-176.40000111.4S213 D214 A215 D220 M221S213-C217 PolarHBondContact O-N 3.18Å; D214-C217 WeakPolarHBondContact O-CB 3.35Å; D214-C217 PolarHBondContact O-N 3.02Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 3.12Å; C217-D220 PolarHBondContact O-N 2.95Å; C217-M221 VanDerWaalsContact O-CG 3.32Å; C217-M221 WeakPolarHBondContact O-CG 3.39Å; C217-M221 PolarHBondContact O-N 2.93Å
218I95.9Very high94.7Very high0 Ų039.5 Ų39.50%022%0.224CC..Hα-helixtrans-70.9-36.4178-63.1160.8000112.3L153 V155 L174 C177 L181 V194 D214 A215 R216 D220 M221 G222L153-I218 HydrophobicContact CD1-CG2 4.46Å; V155-I218 HydrophobicContact CB-CD1 4.31Å; V155-I218 HydrophobicContact CG1-CD1 4.12Å; V155-I218 HydrophobicContact CG2-CD1 3.18Å; L174-I218 HydrophobicContact CD2-CD1 3.79Å; L174-I218 HydrophobicContact CD2-CG1 3.75Å; C177-I218 HydrophobicContact CB-CD1 4.29Å; C177-I218 HydrophobicContact CB-CG1 4.26Å; L181-I218 HydrophobicContact CD1-CG2 4.27Å; V194-I218 HydrophobicContact CG1-CD1 4.1Å; V194-I218 HydrophobicContact CG2-CB 3.87Å; V194-I218 HydrophobicContact CG2-CG2 3.49Å; V194-I218 VanDerWaalsContact CG2-CG2 3.49Å; D214-I218 WeakPolarHBondContact O-CG1 3.49Å; D214-I218 PolarHBondContact O-N 3.16Å; D214-I218 VanDerWaalsContact O-N 3.07Å; A215-I218 PolarHBondContact O-N 2.84Å; A215-I218 VanDerWaalsContact O-N 3.1Å; R216-I218 VanDerWaalsContact C-N 3.27Å; R216-I218 PolarHBondContact O-N 2.86Å; I218-D220 VanDerWaalsContact C-N 3.35Å; I218-M221 HydrophobicContact CB-CE 4.18Å; I218-M221 HydrophobicContact CG1-CE 3.68Å; I218-M221 PolarHBondContact O-N 2.64Å; I218-G222 PolarHBondContact O-N 2.91Å
219F97.4Very high95.1Very high0 Ų040 Ų400%023%0.226CC..Hα-helixtrans-60-46.4172.5-90.5-117.5000110.9V194 A215 R216 M221 G222 E223 M229 I231 L232 F260 V266V194-F219 HydrophobicContact CB-CD2 4.33Å; V194-F219 HydrophobicContact CB-CE2 3.91Å; V194-F219 HydrophobicContact CG2-CD2 3.63Å; V194-F219 HydrophobicContact CG2-CE2 3.63Å; A215-F219 WeakPolarHBondContact O-CD2 3.47Å; A215-F219 PolarHBondContact O-N 2.86Å; R216-F219 WeakPolarHBondContact O-CB 3.22Å; R216-F219 PolarHBondContact O-N 2.84Å; F219-M221 PolarHBondContact O-N 3.1Å; F219-G222 PolarHBondContact O-N 3.2Å; F219-G222 VanDerWaalsContact O-N 3.13Å; F219-E223 WeakPolarHBondContact O-CB 3.3Å; F219-E223 WeakPolarHBondContact O-CG 3.47Å; F219-E223 PolarHBondContact O-N 3.36Å; F219-M229 HydrophobicContact CD1-CB 3.29Å; F219-M229 HydrophobicContact CD1-CG 4.24Å; F219-M229 HydrophobicContact CD2-CE 4.02Å; F219-M229 HydrophobicContact CE1-CB 3.5Å; F219-M229 HydrophobicContact CE2-CE 4.25Å; F219-M229 HydrophobicContact CG-CB 3.89Å; F219-M229 HydrophobicContact CG-CE 4.3Å; F219-M229 HydrophobicContact CG-CG 4.41Å; F219-M229 HydrophobicContact CZ-CB 4.27Å; F219-I231 VanDerWaalsContact CZ-O 3.32Å; F219-I231 WeakPolarHBondContact CZ-O 3.32Å; F219-L232 HydrophobicContact CE2-CD1 4.38Å; F219-L232 HydrophobicContact CZ-CB 4.25Å; F219-F260 HydrophobicContact CB-CE1 4.2Å; F219-F260 HydrophobicContact CD1-CD1 4.41Å; F219-F260 AromaticContact CD1-CE1 3.64Å; F219-F260 HydrophobicContact CD1-CE1 3.64Å; F219-F260 AromaticContact CD2-CE1 3.93Å; F219-F260 HydrophobicContact CD2-CE1 3.93Å; F219-F260 HydrophobicContact CD2-CZ 4.06Å; F219-F260 HydrophobicContact CE1-CD1 4.39Å; F219-F260 AromaticContact CE1-CE1 3.85Å; F219-F260 HydrophobicContact CE1-CE1 3.85Å; F219-F260 HydrophobicContact CE2-CE1 4.11Å; F219-F260 HydrophobicContact CE2-CZ 4.27Å; F219-F260 AromaticContact CG-CE1 3.67Å; F219-F260 HydrophobicContact CG-CE1 3.67Å; F219-F260 HydrophobicContact CG-CZ 4.18Å; F219-F260 HydrophobicContact CZ-CE1 4.06Å; F219-V266 HydrophobicContact CE1-CG1 4.06Å; F219-V266 HydrophobicContact CE1-CG2 3.83Å; F219-V266 HydrophobicContact CZ-CG1 4.14Å
220D96.8Very high95.4Very high70 Ų7042.6 Ų42.637%0.37424%0.24SC..Hα-helixtrans-57.5-48.6175.7-64.8-27.4000111.1R216 C217 I218 G222 E223 E224R216-D220 IonicContact CZ-OD1 3.28Å; R216-D220 IonicContact NE-OD1 3.2Å; R216-D220 PolarHBondContact NE-OD1 3.36Å; R216-D220 IonicContact NE-OD2 3.1Å; R216-D220 IonicContact NH2-OD1 3.13Å; R216-D220 PolarHBondContact NH2-OD1 3.1Å; R216-D220 PolarHBondContact O-N 2.91Å; C217-D220 PolarHBondContact O-N 2.95Å; I218-D220 VanDerWaalsContact C-N 3.35Å; D220-G222 VanDerWaalsContact C-N 3.3Å; D220-G222 PolarHBondContact O-N 2.81Å; D220-E223 PolarHBondContact O-N 2.07Å; D220-E224 WeakPolarHBondContact O-CG 3.44Å; D220-E224 PolarHBondContact O-N 3.08Å
221M96.9Very high95.8Very high24 Ų2439 Ų3912%0.11822%0.224CC..Hα-helixtrans-61.2-38.3176.6-68.5-172.6-70.600112.5R178 L181 C217 I218 F219 V225R178-M221 HydrophobicContact CB-SD 3.84Å; R178-M221 HydrophobicContact CG-SD 4.29Å; L181-M221 HydrophobicContact CD1-CB 3.78Å; C217-M221 VanDerWaalsContact O-CG 3.32Å; C217-M221 WeakPolarHBondContact O-CG 3.39Å; C217-M221 PolarHBondContact O-N 2.93Å; I218-M221 HydrophobicContact CB-CE 4.18Å; I218-M221 HydrophobicContact CG1-CE 3.68Å; I218-M221 PolarHBondContact O-N 2.64Å; F219-M221 PolarHBondContact O-N 3.1Å; M221-V225 VanDerWaalsContact O-CG2 3.31Å; M221-V225 WeakPolarHBondContact O-CG2 3.46Å; M221-V225 PolarHBondContact O-N 3.27Å; M221-V225 VanDerWaalsContact O-N 3.16Å
222G96.7Very high96.2Very high0 Ų038.7 Ų38.70%022%0.221CC..Hα-helixtrans-67.2-43.9178.200000112.2I218 F219 D220 V225 G226 F227I218-G222 PolarHBondContact O-N 2.91Å; F219-G222 PolarHBondContact O-N 3.2Å; F219-G222 VanDerWaalsContact O-N 3.13Å; D220-G222 VanDerWaalsContact C-N 3.3Å; D220-G222 PolarHBondContact O-N 2.81Å; G222-V225 PolarHBondContact O-N 3.5Å; G222-G226 PolarHBondContact O-N 2.96Å; G222-G226 VanDerWaalsContact O-N 3.1Å; G222-F227 WeakPolarHBondContact O-CB 3.07Å; G222-F227 PolarHBondContact O-N 3.46Å
223E96.4Very high96.3Very high98 Ų9838.5 Ų38.546%0.45822%0.22SC..Hα-helixtrans-63.1-41.1175.4-71172.6-152.100111.4R216 F219 D220 V225 G226R216-E223 IonicContact NH2-OE1 3.78Å; R216-E223 PolarHBondContact NH2-OE1 3.32Å; R216-E223 IonicContact NH2-OE2 3.53Å; F219-E223 WeakPolarHBondContact O-CB 3.3Å; F219-E223 WeakPolarHBondContact O-CG 3.47Å; F219-E223 PolarHBondContact O-N 3.36Å; D220-E223 PolarHBondContact O-N 2.07Å; E223-V225 VanDerWaalsContact C-N 3.35Å; E223-V225 PolarHBondContact O-N 2.82Å; E223-G226 WeakPolarHBondContact O-CA 3.39Å; E223-G226 PolarHBondContact O-N 3.4Å
224E97.4Very high96.3Very high137 Ų13736.8 Ų36.864%0.6421%0.207SC*.Hα-helixtrans-60-40.6174.3-77178.9-175.700113.1R178 D220 G226R178-E224 IonicContact CZ-OE2 3.79Å; R178-E224 IonicContact NH1-OE2 2.98Å; R178-E224 PolarHBondContact NH1-OE2 3.45Å; R178-E224 IonicContact NH2-OE2 2.95Å; R178-E224 PolarHBondContact NH2-OE2 3.43Å; D220-E224 WeakPolarHBondContact O-CG 3.44Å; D220-E224 PolarHBondContact O-N 3.08Å; E224-G226 PolarHBondContact O-N 2.94Å
225V96.7Very high96.1Very high26 Ų2634.2 Ų34.216%0.15819%0.194CC..Hα-helixtrans-72.8-14.6175.31760000111.3L181 E182 K185 M221 G222 E223 F227L181-V225 HydrophobicContact CB-CG2 4.36Å; E182-V225 HydrophobicContact CG-CG2 4.18Å; K185-V225 HydrophobicContact CB-CG1 3.64Å; K185-V225 HydrophobicContact CD-CG1 4.24Å; K185-V225 WeakPolarHBondContact CE-O 3.46Å; K185-V225 HydrophobicContact CG-CG1 3.85Å; M221-V225 VanDerWaalsContact O-CG2 3.31Å; M221-V225 WeakPolarHBondContact O-CG2 3.46Å; M221-V225 PolarHBondContact O-N 3.27Å; M221-V225 VanDerWaalsContact O-N 3.16Å; G222-V225 PolarHBondContact O-N 3.5Å; E223-V225 VanDerWaalsContact C-N 3.35Å; E223-V225 PolarHBondContact O-N 2.82Å; V225-F227 HydrophobicContact CB-CD2 4.18Å; V225-F227 HydrophobicContact CB-CE2 4.21Å; V225-F227 HydrophobicContact CG1-CD2 4.03Å; V225-F227 HydrophobicContact CG1-CE2 3.61Å; V225-F227 HydrophobicContact CG1-CZ 4.43Å
226G96.6Very high95.5Very high45 Ų4534.7 Ų34.746%0.46420%0.199SC..THydrogen-bonded Turntrans9138176.700000113.5K185 G222 E223 E224K185-G226 PolarHBondContact NZ-O 3.47Å; G222-G226 PolarHBondContact O-N 2.96Å; G222-G226 VanDerWaalsContact O-N 3.1Å; E223-G226 WeakPolarHBondContact O-CA 3.39Å; E223-G226 PolarHBondContact O-N 3.4Å; E224-G226 PolarHBondContact O-N 2.94Å
227F97.7Very high94.8Very high23 Ų2333.5 Ų33.510%0.10120%0.196CC..  trans-93156.1165.2-66.9-67.4000111.4L181 A184 K185 V189 V191 G222 V225 M229L181-F227 HydrophobicContact CB-CE2 4.2Å; L181-F227 HydrophobicContact CD2-CD2 3.84Å; L181-F227 HydrophobicContact CD2-CE2 3.91Å; L181-F227 VanDerWaalsContact O-CE2 3.3Å; L181-F227 WeakPolarHBondContact O-CE2 3.46Å; A184-F227 HydrophobicContact CB-CZ 3.9Å; K185-F227 HydrophobicContact CB-CE2 4.26Å; K185-F227 HydrophobicContact CB-CZ 3.85Å; K185-F227 HydrophobicContact CD-CE1 4.2Å; K185-F227 HydrophobicContact CD-CZ 4.07Å; V189-F227 WeakPolarHBondContact O-CE1 3.36Å; V191-F227 HydrophobicContact CB-CD1 4.12Å; V191-F227 HydrophobicContact CB-CD2 4.26Å; V191-F227 HydrophobicContact CB-CE1 4.27Å; V191-F227 HydrophobicContact CB-CE2 4.38Å; V191-F227 HydrophobicContact CB-CG 4.12Å; V191-F227 HydrophobicContact CB-CZ 4.37Å; V191-F227 HydrophobicContact CG2-CE1 4.18Å; V191-F227 HydrophobicContact CG2-CE2 4.19Å; V191-F227 HydrophobicContact CG2-CZ 3.98Å; G222-F227 WeakPolarHBondContact O-CB 3.07Å; G222-F227 PolarHBondContact O-N 3.46Å; V225-F227 HydrophobicContact CB-CD2 4.18Å; V225-F227 HydrophobicContact CB-CE2 4.21Å; V225-F227 HydrophobicContact CG1-CD2 4.03Å; V225-F227 HydrophobicContact CG1-CE2 3.61Å; V225-F227 HydrophobicContact CG1-CZ 4.43Å; F227-M229 HydrophobicContact CB-CG 4.45Å; F227-M229 HydrophobicContact CB-SD 4.23Å
228S95.9Very high94.5Very high95 Ų9531.1 Ų31.166%0.66418%0.179SC*.  trans-101.794.2171.1-167.70000108.3
229M97.2Very high93.8Very high13 Ų1333.5 Ų33.56%0.06420%0.196CC..  trans-83124.8-179.4-57.2-69-76.600109.5V191 V192 V194 F219 F227V191-M229 HydrophobicContact CB-SD 4.41Å; V191-M229 HydrophobicContact CG1-CE 4.18Å; V191-M229 HydrophobicContact CG1-SD 3.87Å; V192-M229 CarbonylContact O-C 3.57Å; V192-M229 WeakPolarHBondContact O-CA 3.4Å; V194-M229 HydrophobicContact CG2-CE 3.75Å; F219-M229 HydrophobicContact CD1-CB 3.29Å; F219-M229 HydrophobicContact CD1-CG 4.24Å; F219-M229 HydrophobicContact CD2-CE 4.02Å; F219-M229 HydrophobicContact CE1-CB 3.5Å; F219-M229 HydrophobicContact CE2-CE 4.25Å; F219-M229 HydrophobicContact CG-CB 3.89Å; F219-M229 HydrophobicContact CG-CE 4.3Å; F219-M229 HydrophobicContact CG-CG 4.41Å; F219-M229 HydrophobicContact CZ-CB 4.27Å; F227-M229 HydrophobicContact CB-CG 4.45Å; F227-M229 HydrophobicContact CB-SD 4.23Å
230N97Very high93.1Very high68 Ų6834 Ų3436%0.36420%0.201SC..  trans-145.60.1-173.765.8-3000114.9V192 V266 S267V192-N230 PolarHBondContact O-N 2.88Å; V192-N230 PolarHBondContact O-OD1 2.7Å; V192-N230 VanDerWaalsContact O-OD1 3.14Å; N230-V266 CarbonylContact O-C 3.6Å; N230-V266 WeakPolarHBondContact O-CA 3.3Å; N230-S267 PolarHBondContact O-N 3.45Å
231I97.6Very high92.6Very high29 Ų2933.2 Ų33.215%0.14920%0.201CC..EExtended strand (participates in β ladder)trans-124.7122.4176.9-62.6169.4000109.8L130 L152 V192 G193 V194 F219 S267 I269L130-I231 HydrophobicContact CD1-CD1 4.12Å; L130-I231 HydrophobicContact CD2-CD1 3.94Å; L152-I231 HydrophobicContact CD1-CG2 4.41Å; L152-I231 HydrophobicContact CD2-CB 3.84Å; L152-I231 HydrophobicContact CD2-CD1 4.49Å; L152-I231 HydrophobicContact CD2-CG2 3.72Å; V192-I231 HydrophobicContact CG2-CD1 4.12Å; V192-I231 PolarHBondContact O-N 3.44Å; G193-I231 CarbonylContact C-O 3.58Å; G193-I231 WeakPolarHBondContact CA-O 3.29Å; V194-I231 PolarHBondContact N-O 3.36Å; V194-I231 VanDerWaalsContact N-O 3.13Å; F219-I231 VanDerWaalsContact CZ-O 3.32Å; F219-I231 WeakPolarHBondContact CZ-O 3.32Å; I231-S267 WeakPolarHBondContact CA-O 3.37Å; I231-I269 HydrophobicContact CG2-CD1 3.88Å; I231-I269 HydrophobicContact CG2-CG1 4.15Å
232L97.1Very high92.2Very high1 Ų136 Ų361%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-109.4116.3167.6176.664000108.6I212 A215 F219 I234 F260 V266 S267 I268 I269I212-L232 HydrophobicContact CG2-CD2 4.47Å; A215-L232 HydrophobicContact CB-CD1 3.5Å; A215-L232 VanDerWaalsContact CB-CD1 3.5Å; F219-L232 HydrophobicContact CE2-CD1 4.38Å; F219-L232 HydrophobicContact CZ-CB 4.25Å; L232-I234 HydrophobicContact CD2-CG2 4.38Å; L232-I234 HydrophobicContact CG-CG2 4.25Å; L232-F260 HydrophobicContact CD2-CD2 3.68Å; L232-F260 HydrophobicContact CD2-CE2 3.71Å; L232-F260 HydrophobicContact CD2-CG 4.29Å; L232-F260 HydrophobicContact CD2-CZ 4.34Å; L232-V266 HydrophobicContact CB-CG1 3.96Å; L232-S267 PolarHBondContact N-O 3.06Å; L232-I268 WeakPolarHBondContact O-CA 3.49Å; L232-I269 PolarHBondContact O-N 3.35Å
233D96.2Very high91.8Very high0 Ų040.1 Ų40.10%024%0.239CC..EExtended strand (participates in β ladder)trans-103.9111173.4-178.40.3000109.6V194 R195 S196 G235 I269V194-D233 PolarHBondContact O-N 3.08Å; R195-D233 CarbonylContact C-O 3.58Å; R195-D233 WeakPolarHBondContact CA-O 3.38Å; R195-D233 HydrophobicContact CB-CB 3.95Å; R195-D233 VanDerWaalsContact CD-OD2 3.31Å; R195-D233 WeakPolarHBondContact CD-OD2 3.01Å; R195-D233 HydrophobicContact CG-CB 4.1Å; R195-D233 WeakPolarHBondContact CG-OD2 3.46Å; R195-D233 IonicContact NE-OD2 2.6Å; S196-D233 PolarHBondContact N-O 2.86Å; D233-G235 PolarHBondContact O-N 2.7Å; D233-G235 WeakPolarHBondContact OD1-CA 3.48Å; D233-G235 PolarHBondContact OD1-N 3.36Å; D233-I269 WeakPolarHBondContact CA-O 3.37Å; D233-I269 HydrophobicContact CB-CD1 3.86Å; D233-I269 HydrophobicContact CB-CG1 3.54Å
234I93.2Very high91.5Very high5 Ų536.5 Ų36.53%0.02622%0.222CC..  trans-79.2-2-179.367.8176000112.7I62 L232 F238 V252 I268 I269 A270I62-I234 HydrophobicContact CD1-CD1 3.78Å; I62-I234 HydrophobicContact CG2-CD1 4.47Å; L232-I234 HydrophobicContact CD2-CG2 4.38Å; L232-I234 HydrophobicContact CG-CG2 4.25Å; I234-F238 HydrophobicContact CD1-CZ 4.19Å; I234-V252 HydrophobicContact CD1-CG1 4.07Å; I234-V252 HydrophobicContact CD1-CG2 4.3Å; I234-V252 HydrophobicContact CG2-CG1 4.44Å; I234-I268 HydrophobicContact CG2-CG2 4.19Å; I234-I269 WeakPolarHBondContact CG1-O 3.22Å; I234-I269 PolarHBondContact N-O 3.41Å; I234-A270 HydrophobicContact CD1-CB 4.01Å; I234-A270 HydrophobicContact CG1-CB 3.67Å
235G89.3Confident91.2Very high0 Ų030 Ų300%019%0.192CC..  trans81.9-162.1176.900000114S196 D233 E271S196-G235 WeakPolarHBondContact O-CA 3.39Å; D233-G235 PolarHBondContact O-N 2.7Å; D233-G235 WeakPolarHBondContact OD1-CA 3.48Å; D233-G235 PolarHBondContact OD1-N 3.36Å; G235-E271 PolarHBondContact O-N 3.35Å
236G82.4Confident90.9Very high10 Ų1033 Ų3310%0.10320%0.204CC..  trans-88.2-162173.100000112.2I198 Y208I198-G236 CarbonylContact O-C 3.57Å; I198-G236 VanDerWaalsContact O-C 3.24Å; Y208-G236 PolarHBondContact OH-O 3.08Å
237G80.9Confident90.6Very high6 Ų635.8 Ų35.86%0.06221%0.207CC..  trans120.910.8173.700000115.6I198 Y208I198-G237 PolarHBondContact O-N 2.9Å; Y208-G237 WeakPolarHBondContact OH-CA 3.47Å; Y208-G237 PolarHBondContact OH-O 3.07Å
238F88.2Confident90.3Very high4 Ų435 Ų352%0.01820%0.203CC..  trans-98118.9-175.4-50.1-81.4000111.2W55 M59 I234 L245 I248 A270 P272 F275W55-F238 HydrophobicContact CH2-CD1 4.29Å; W55-F238 HydrophobicContact CH2-CD2 4.06Å; W55-F238 AromaticContact CH2-CE1 3.93Å; W55-F238 HydrophobicContact CH2-CE1 3.93Å; W55-F238 AromaticContact CH2-CE2 3.71Å; W55-F238 HydrophobicContact CH2-CE2 3.71Å; W55-F238 HydrophobicContact CH2-CG 4.35Å; W55-F238 AromaticContact CH2-CZ 3.64Å; W55-F238 HydrophobicContact CH2-CZ 3.64Å; W55-F238 AromaticContact CZ3-CD1 3.9Å; W55-F238 HydrophobicContact CZ3-CD1 3.9Å; W55-F238 AromaticContact CZ3-CD2 3.92Å; W55-F238 HydrophobicContact CZ3-CD2 3.92Å; W55-F238 AromaticContact CZ3-CE1 4Å; W55-F238 HydrophobicContact CZ3-CE1 4Å; W55-F238 HydrophobicContact CZ3-CE2 4.05Å; W55-F238 AromaticContact CZ3-CG 3.86Å; W55-F238 HydrophobicContact CZ3-CG 3.86Å; W55-F238 HydrophobicContact CZ3-CZ 4.08Å; M59-F238 HydrophobicContact CE-CE1 4.11Å; I234-F238 HydrophobicContact CD1-CZ 4.19Å; F238-L245 HydrophobicContact CD1-CD1 3.72Å; F238-L245 HydrophobicContact CE1-CD1 4.13Å; F238-I248 HydrophobicContact CD1-CD1 3.94Å; F238-I248 HydrophobicContact CE1-CD1 4.14Å; F238-I248 HydrophobicContact CE1-CG2 3.91Å; F238-A270 HydrophobicContact CE2-CB 3.91Å; F238-A270 HydrophobicContact CZ-CB 4.07Å; F238-P272 HydrophobicContact CD2-CB 3.94Å; F238-F275 HydrophobicContact CB-CB 3.76Å; F238-F275 HydrophobicContact CB-CD2 4.05Å; F238-F275 HydrophobicContact CB-CG 4.16Å; F238-F275 PolarHBondContact O-N 2.88Å
239S82.1Confident90.1Very high49 Ų4932 Ų3234%0.34318%0.18SC..  trans-75.8-18.7-177.263.90000114.6S241 Q244S239-S241 WeakPolarHBondContact OG-CB 3.45Å; S239-S241 PolarHBondContact OG-N 3.07Å; S239-Q244 VanDerWaalsContact OG-CD 3.25Å; S239-Q244 PolarHBondContact OG-OE1 3.34Å
240G82.2Confident89.9Confident11 Ų1135.2 Ų35.211%0.11320%0.203CC..SBendtrans99-9.1-169.700000114.3Q51 F275Q51-G240 PolarHBondContact NE2-O 3.18Å; Q51-G240 VanDerWaalsContact NE2-O 3.13Å; G240-F275 VanDerWaalsContact CA-CD2 3.48Å
241S86.4Confident89.6Confident54 Ų5432.5 Ų32.538%0.37819%0.189SC..  trans-77.9133.4175.1176.20000112S239 T243 Q244 L245S239-S241 WeakPolarHBondContact OG-CB 3.45Å; S239-S241 PolarHBondContact OG-N 3.07Å; S241-T243 PolarHBondContact OG-N 2.6Å; S241-Q244 PolarHBondContact O-N 2.59Å; S241-L245 WeakPolarHBondContact O-CB 3.27Å; S241-L245 PolarHBondContact O-N 3.08Å
242E88.3Confident89.3Confident82 Ų8231.1 Ų31.138%0.38318%0.182SC..Hα-helixtrans-64.5-43.9175.9-172.9166.6-179.300111.5R54 H58 Q244 L245 E246R54-E242 IonicContact NE-OE2 2.71Å; H58-E242 IonicContact CE1-OE1 2.61Å; H58-E242 PolarHBondContact CE1-OE1 3.38Å; H58-E242 VanDerWaalsContact CE1-OE1 3.23Å; H58-E242 IonicContact NE2-OE1 3.08Å; H58-E242 PolarHBondContact NE2-OE1 3.39Å; E242-Q244 VanDerWaalsContact C-N 3.33Å; E242-Q244 PolarHBondContact O-N 3.42Å; E242-L245 WeakPolarHBondContact O-CB 3.15Å; E242-L245 PolarHBondContact O-N 2.9Å; E242-L245 VanDerWaalsContact O-N 3.12Å; E242-E246 WeakPolarHBondContact O-CG 3.25Å; E242-E246 PolarHBondContact O-N 3.04Å
243T89.5Confident89.1Confident86 Ų8632.3 Ų32.353%0.52819%0.188SC..Hα-helixtrans-61.5-40.9177.7-51.10000111.9S241 E246 M247S241-T243 PolarHBondContact OG-N 2.6Å; T243-E246 PolarHBondContact O-N 3.48Å; T243-M247 HydrophobicContact CG2-CE 4.4Å; T243-M247 WeakPolarHBondContact O-CG 3.35Å; T243-M247 PolarHBondContact O-N 2.8Å; T243-M247 VanDerWaalsContact O-N 3.12Å
244Q88.9Confident88.9Confident22 Ų2236.1 Ų36.110%0.10322%0.215CC..Hα-helixtrans-65.6-42.5175.7-165.7-157.339.100110.8S239 S241 E242 E246 M247 I248S239-Q244 VanDerWaalsContact OG-CD 3.25Å; S239-Q244 PolarHBondContact OG-OE1 3.34Å; S241-Q244 PolarHBondContact O-N 2.59Å; E242-Q244 VanDerWaalsContact C-N 3.33Å; E242-Q244 PolarHBondContact O-N 3.42Å; Q244-E246 VanDerWaalsContact C-N 3.34Å; Q244-E246 PolarHBondContact O-N 2.61Å; Q244-M247 PolarHBondContact O-N 3.49Å; Q244-I248 HydrophobicContact CG-CD1 3.83Å; Q244-I248 HydrophobicContact CG-CG1 4.41Å; Q244-I248 VanDerWaalsContact O-CG1 3.3Å; Q244-I248 WeakPolarHBondContact O-CG1 3.31Å; Q244-I248 PolarHBondContact O-N 3.38Å
245L91.1Very high88.9Confident2 Ų237.6 Ų37.61%0.0122%0.222CC..Hα-helixtrans-60.9-42.7178.7-168.368.6000111.7W55 H58 M59 F238 S241 E242 N249 F275W55-L245 HydrophobicContact CE3-CD1 4.02Å; W55-L245 HydrophobicContact CZ3-CD1 3.89Å; H58-L245 HydrophobicContact CB-CD2 3.74Å; H58-L245 HydrophobicContact CB-CG 4.15Å; M59-L245 HydrophobicContact CE-CD1 3.6Å; M59-L245 HydrophobicContact CE-CG 4.1Å; M59-L245 WeakPolarHBondContact CE-O 3.38Å; M59-L245 HydrophobicContact CG-CD1 3.84Å; M59-L245 HydrophobicContact CG-CD2 4.46Å; M59-L245 HydrophobicContact CG-CG 4.11Å; F238-L245 HydrophobicContact CD1-CD1 3.72Å; F238-L245 HydrophobicContact CE1-CD1 4.13Å; S241-L245 WeakPolarHBondContact O-CB 3.27Å; S241-L245 PolarHBondContact O-N 3.08Å; E242-L245 WeakPolarHBondContact O-CB 3.15Å; E242-L245 PolarHBondContact O-N 2.9Å; E242-L245 VanDerWaalsContact O-N 3.12Å; L245-N249 VanDerWaalsContact O-CB 3.27Å; L245-N249 WeakPolarHBondContact O-CB 3.2Å; L245-N249 PolarHBondContact O-N 3.12Å; L245-F275 HydrophobicContact CD1-CE2 4.42Å; L245-F275 HydrophobicContact CD2-CE2 4Å; L245-F275 HydrophobicContact CD2-CZ 4.18Å
246E91.4Very high89.1Confident87 Ų8737.8 Ų37.841%0.40722%0.223SC..Hα-helixtrans-61.6-46.4175.4-73.8178.8158.500112.5H58 E242 T243 Q244 N249 C250H58-E246 IonicContact CD2-OE1 3.47Å; H58-E246 IonicContact NE2-OE1 2.6Å; E242-E246 WeakPolarHBondContact O-CG 3.25Å; E242-E246 PolarHBondContact O-N 3.04Å; T243-E246 PolarHBondContact O-N 3.48Å; Q244-E246 VanDerWaalsContact C-N 3.34Å; Q244-E246 PolarHBondContact O-N 2.61Å; E246-N249 WeakPolarHBondContact O-CB 3.35Å; E246-N249 PolarHBondContact O-N 3.12Å; E246-C250 PolarHBondContact O-N 3.44Å; E246-C250 PolarHBondContact O-SG 3.24Å
247M90.5Very high89.6Confident105 Ų10541.8 Ų41.852%0.51724%0.242SC..Hα-helixtrans-60.6-49.1177.8-70.5-173.4-59.500111.3T243 Q244 N249 C250 A251T243-M247 HydrophobicContact CG2-CE 4.4Å; T243-M247 WeakPolarHBondContact O-CG 3.35Å; T243-M247 PolarHBondContact O-N 2.8Å; T243-M247 VanDerWaalsContact O-N 3.12Å; Q244-M247 PolarHBondContact O-N 3.49Å; M247-N249 VanDerWaalsContact C-N 3.31Å; M247-N249 PolarHBondContact O-N 3.47Å; M247-C250 PolarHBondContact O-N 3.12Å; M247-A251 PolarHBondContact O-N 3.13Å; M247-A251 VanDerWaalsContact O-N 3.12Å
248I91.1Very high90.3Very high5 Ų547 Ų473%0.02627%0.268CS..Hα-helixtrans-60.4-43.4176.8-64.7166.2000110.2M59 Y208 F238 Q244 C250 A251 V252M59-I248 HydrophobicContact CE-CB 4.21Å; M59-I248 HydrophobicContact CE-CG2 4Å; Y208-I248 HydrophobicContact CD1-CG2 3.98Å; Y208-I248 HydrophobicContact CD2-CG1 4.34Å; Y208-I248 HydrophobicContact CD2-CG2 4.16Å; Y208-I248 HydrophobicContact CE1-CG2 3.86Å; Y208-I248 HydrophobicContact CE2-CD1 4Å; Y208-I248 HydrophobicContact CE2-CG1 3.83Å; Y208-I248 HydrophobicContact CE2-CG2 4.05Å; Y208-I248 HydrophobicContact CG-CG2 4.13Å; F238-I248 HydrophobicContact CD1-CD1 3.94Å; F238-I248 HydrophobicContact CE1-CD1 4.14Å; F238-I248 HydrophobicContact CE1-CG2 3.91Å; Q244-I248 HydrophobicContact CG-CD1 3.83Å; Q244-I248 HydrophobicContact CG-CG1 4.41Å; Q244-I248 VanDerWaalsContact O-CG1 3.3Å; Q244-I248 WeakPolarHBondContact O-CG1 3.31Å; Q244-I248 PolarHBondContact O-N 3.38Å; I248-C250 VanDerWaalsContact C-N 3.32Å; I248-C250 PolarHBondContact O-N 3.29Å; I248-A251 PolarHBondContact O-N 3.05Å; I248-V252 HydrophobicContact CG2-CG2 3.75Å; I248-V252 WeakPolarHBondContact O-CB 3.47Å; I248-V252 WeakPolarHBondContact O-CG2 3.39Å; I248-V252 PolarHBondContact O-N 3.45Å
249N92.4Very high90.6Very high34 Ų3450.3 Ų50.318%0.18228%0.281CS..Hα-helixtrans-59-44.3178.7-175.747.6000111.5H58 M59 L245 E246 M247 A251 V252 M253H58-N249 PolarHBondContact O-ND2 3.02Å; H58-N249 PolarHBondContact O-OD1 2.78Å; M59-N249 HydrophobicContact CE-CB 3.56Å; M59-N249 HydrophobicContact SD-CB 3.55Å; M59-N249 VanDerWaalsContact SD-CB 3.55Å; M59-N249 PolarHBondContact SD-OD1 3.29Å; L245-N249 VanDerWaalsContact O-CB 3.27Å; L245-N249 WeakPolarHBondContact O-CB 3.2Å; L245-N249 PolarHBondContact O-N 3.12Å; E246-N249 WeakPolarHBondContact O-CB 3.35Å; E246-N249 PolarHBondContact O-N 3.12Å; M247-N249 VanDerWaalsContact C-N 3.31Å; M247-N249 PolarHBondContact O-N 3.47Å; N249-A251 PolarHBondContact O-N 2.91Å; N249-V252 PolarHBondContact O-N 3.2Å; N249-M253 VanDerWaalsContact O-CB 3.24Å; N249-M253 WeakPolarHBondContact O-CB 3.47Å; N249-M253 VanDerWaalsContact O-CG 3.23Å; N249-M253 WeakPolarHBondContact O-CG 3.47Å; N249-M253 PolarHBondContact O-N 3.3Å; N249-M253 WeakPolarHBondContact OD1-CG 3.47Å
250C91.1Very high91.2Very high80 Ų8048.1 Ų48.154%0.54127%0.265SS..Hα-helixtrans-62.2-44.3179.4-67.50000111.8E246 M247 I248 S254E246-C250 PolarHBondContact O-N 3.44Å; E246-C250 PolarHBondContact O-SG 3.24Å; M247-C250 PolarHBondContact O-N 3.12Å; I248-C250 VanDerWaalsContact C-N 3.32Å; I248-C250 PolarHBondContact O-N 3.29Å; C250-S254 WeakPolarHBondContact O-CB 3.41Å; C250-S254 PolarHBondContact O-N 3.41Å; C250-S254 PolarHBondContact O-OG 3.38Å
251A90.8Very high91.7Very high10 Ų1049.7 Ų49.78%0.08327%0.273CS..Hα-helixtrans-65.2-49.1177.300000111.8D205 M247 I248 N249 M255D205-A251 HydrophobicContact CB-CB 4.22Å; M247-A251 PolarHBondContact O-N 3.13Å; M247-A251 VanDerWaalsContact O-N 3.12Å; I248-A251 PolarHBondContact O-N 3.05Å; N249-A251 PolarHBondContact O-N 2.91Å; A251-M255 WeakPolarHBondContact O-CG 3.5Å
252V92.4Very high91.8Very high0 Ų052 Ų520%029%0.29CS..Hα-helixtrans-65.8-51.3-177.4173.40000111.2I62 Y208 I212 I234 I248 N249 S254 M255 V256I62-V252 HydrophobicContact CD1-CG1 4.09Å; Y208-V252 HydrophobicContact CD1-CG2 3.87Å; Y208-V252 HydrophobicContact CG-CG2 4.03Å; I212-V252 HydrophobicContact CD1-CB 4.07Å; I212-V252 HydrophobicContact CD1-CG1 3.78Å; I212-V252 HydrophobicContact CD1-CG2 4.13Å; I234-V252 HydrophobicContact CD1-CG1 4.07Å; I234-V252 HydrophobicContact CD1-CG2 4.3Å; I234-V252 HydrophobicContact CG2-CG1 4.44Å; I248-V252 HydrophobicContact CG2-CG2 3.75Å; I248-V252 WeakPolarHBondContact O-CB 3.47Å; I248-V252 WeakPolarHBondContact O-CG2 3.39Å; I248-V252 PolarHBondContact O-N 3.45Å; N249-V252 PolarHBondContact O-N 3.2Å; V252-S254 VanDerWaalsContact C-N 3.32Å; V252-S254 PolarHBondContact O-N 3.24Å; V252-M255 PolarHBondContact O-N 3.25Å; V252-M255 VanDerWaalsContact O-N 3.13Å; V252-V256 HydrophobicContact CG1-CG2 3.93Å; V252-V256 WeakPolarHBondContact O-CB 3.32Å; V252-V256 VanDerWaalsContact O-CG2 3.32Å; V252-V256 WeakPolarHBondContact O-CG2 3.38Å; V252-V256 PolarHBondContact O-N 2.93Å
253M92.9Very high91.8Very high26 Ų2653.5 Ų53.513%0.12831%0.309CS..Hα-helixtrans-64.6-36.8-175.4-68.2-65.7108.700112.2Q61 I62 N249 M255 V256 D257Q61-M253 HydrophobicContact CB-SD 4.4Å; Q61-M253 PolarHBondContact OE1-SD 3.13Å; I62-M253 HydrophobicContact CD1-CE 3.36Å; I62-M253 HydrophobicContact CG1-CE 3.71Å; N249-M253 VanDerWaalsContact O-CB 3.24Å; N249-M253 WeakPolarHBondContact O-CB 3.47Å; N249-M253 VanDerWaalsContact O-CG 3.23Å; N249-M253 WeakPolarHBondContact O-CG 3.47Å; N249-M253 PolarHBondContact O-N 3.3Å; N249-M253 WeakPolarHBondContact OD1-CG 3.47Å; M253-M255 PolarHBondContact O-N 2.95Å; M253-V256 HydrophobicContact CE-CG2 4.34Å; M253-V256 PolarHBondContact O-N 3.04Å; M253-D257 WeakPolarHBondContact O-CB 3.47Å; M253-D257 PolarHBondContact O-N 2.83Å
254S91.9Very high91.8Very high81 Ų8152.5 Ų52.557%0.56630%0.303SS*.Hα-helixtrans-58.2-37.5175.8-61.60000112.1C250 V252C250-S254 WeakPolarHBondContact O-CB 3.41Å; C250-S254 PolarHBondContact O-N 3.41Å; C250-S254 PolarHBondContact O-OG 3.38Å; V252-S254 VanDerWaalsContact C-N 3.32Å; V252-S254 PolarHBondContact O-N 3.24Å
255M93.5Very high92Very high36 Ų3654.3 Ų54.318%0.17733%0.327CS..Hα-helixtrans-84.5-35.8-179.8-63.5-64.3-86.100112.3S209 I212 A251 V252 M253 L258 Y259S209-M255 VanDerWaalsContact O-CE 3.23Å; S209-M255 WeakPolarHBondContact O-CE 3.09Å; I212-M255 HydrophobicContact CB-CB 4.13Å; I212-M255 HydrophobicContact CD1-CB 3.97Å; I212-M255 HydrophobicContact CG2-CB 3.82Å; A251-M255 WeakPolarHBondContact O-CG 3.5Å; V252-M255 PolarHBondContact O-N 3.25Å; V252-M255 VanDerWaalsContact O-N 3.13Å; M253-M255 PolarHBondContact O-N 2.95Å; M255-L258 PolarHBondContact O-N 2.98Å; M255-Y259 HydrophobicContact CB-CD2 4.5Å; M255-Y259 HydrophobicContact CE-CD2 4.26Å; M255-Y259 HydrophobicContact CE-CE2 3.5Å; M255-Y259 VanDerWaalsContact CE-CE2 3.5Å; M255-Y259 WeakPolarHBondContact O-CB 3.13Å; M255-Y259 WeakPolarHBondContact O-CD2 3.48Å; M255-Y259 PolarHBondContact O-N 3.22Å; M255-Y259 HydrophobicContact SD-CE2 4.28Å
256V93.4Very high92.2Very high3 Ų355.3 Ų55.32%0.01833%0.333CS..Hα-helixtrans-61.4-48173.5160.30000111I212 V252 M253 L258 Y259 F260 I268I212-V256 HydrophobicContact CD1-CG2 4.39Å; V252-V256 HydrophobicContact CG1-CG2 3.93Å; V252-V256 WeakPolarHBondContact O-CB 3.32Å; V252-V256 VanDerWaalsContact O-CG2 3.32Å; V252-V256 WeakPolarHBondContact O-CG2 3.38Å; V252-V256 PolarHBondContact O-N 2.93Å; M253-V256 HydrophobicContact CE-CG2 4.34Å; M253-V256 PolarHBondContact O-N 3.04Å; V256-L258 PolarHBondContact O-N 3.36Å; V256-Y259 PolarHBondContact O-N 3.1Å; V256-F260 CarbonylContact O-C 3.51Å; V256-F260 VanDerWaalsContact O-CA 3.24Å; V256-F260 WeakPolarHBondContact O-CA 3.34Å; V256-F260 PolarHBondContact O-N 3.49Å; V256-I268 HydrophobicContact CB-CD1 4.13Å; V256-I268 HydrophobicContact CG1-CD1 3.22Å; V256-I268 HydrophobicContact CG2-CD1 3.76Å
257D93.1Very high92.4Very high95 Ų9554 Ų5451%0.50833%0.334SS..Hα-helixtrans-61.8-31.3179.5-77.5-22.2000111.9M253M253-D257 WeakPolarHBondContact O-CB 3.47Å; M253-D257 PolarHBondContact O-N 2.83Å
258L94.4Very high92.7Very high115 Ų11549.6 Ų49.660%0.60231%0.312SS*.Hα-helixtrans-76.6-48.8177.7-178.363000112.8M255 V256M255-L258 PolarHBondContact O-N 2.98Å; V256-L258 PolarHBondContact O-N 3.36Å
259Y95.1Very high93Very high73 Ų7349.5 Ų49.529%0.28631%0.312SS..Hα-helixtrans-101.1-25.5-168.9-67.5-48.3000114.9I212 R216 M255 V256 P261I212-Y259 HydrophobicContact CG2-CD2 4.2Å; R216-Y259 HydrophobicContact CB-CD1 4.21Å; R216-Y259 HydrophobicContact CB-CD2 4.45Å; R216-Y259 HydrophobicContact CB-CG 4.01Å; R216-Y259 WeakPolarHBondContact CD-O 3.27Å; R216-Y259 HydrophobicContact CG-CD1 3.75Å; R216-Y259 HydrophobicContact CG-CE1 4.44Å; R216-Y259 HydrophobicContact CG-CG 3.98Å; R216-Y259 PolarHBondContact NH1-O 3.23Å; M255-Y259 HydrophobicContact CB-CD2 4.5Å; M255-Y259 HydrophobicContact CE-CD2 4.26Å; M255-Y259 HydrophobicContact CE-CE2 3.5Å; M255-Y259 VanDerWaalsContact CE-CE2 3.5Å; M255-Y259 WeakPolarHBondContact O-CB 3.13Å; M255-Y259 WeakPolarHBondContact O-CD2 3.48Å; M255-Y259 PolarHBondContact O-N 3.22Å; M255-Y259 HydrophobicContact SD-CE2 4.28Å; V256-Y259 PolarHBondContact O-N 3.1Å; Y259-P261 VanDerWaalsContact C-CD 3.47Å
260F95.1Very high93.2Very high4 Ų447.9 Ų47.92%0.01830%0.303CS..SBendtrans-135.452.5-175.4-57.3-73.9000111.5I212 A215 R216 F219 L232 V256 V266I212-F260 HydrophobicContact CG2-CD2 3.97Å; I212-F260 HydrophobicContact CG2-CE2 3.77Å; A215-F260 HydrophobicContact CB-CZ 4.38Å; R216-F260 HydrophobicContact CB-CE2 4.19Å; R216-F260 HydrophobicContact CB-CZ 3.93Å; F219-F260 HydrophobicContact CB-CE1 4.2Å; F219-F260 HydrophobicContact CD1-CD1 4.41Å; F219-F260 AromaticContact CD1-CE1 3.64Å; F219-F260 HydrophobicContact CD1-CE1 3.64Å; F219-F260 AromaticContact CD2-CE1 3.93Å; F219-F260 HydrophobicContact CD2-CE1 3.93Å; F219-F260 HydrophobicContact CD2-CZ 4.06Å; F219-F260 HydrophobicContact CE1-CD1 4.39Å; F219-F260 AromaticContact CE1-CE1 3.85Å; F219-F260 HydrophobicContact CE1-CE1 3.85Å; F219-F260 HydrophobicContact CE2-CE1 4.11Å; F219-F260 HydrophobicContact CE2-CZ 4.27Å; F219-F260 AromaticContact CG-CE1 3.67Å; F219-F260 HydrophobicContact CG-CE1 3.67Å; F219-F260 HydrophobicContact CG-CZ 4.18Å; F219-F260 HydrophobicContact CZ-CE1 4.06Å; L232-F260 HydrophobicContact CD2-CD2 3.68Å; L232-F260 HydrophobicContact CD2-CE2 3.71Å; L232-F260 HydrophobicContact CD2-CG 4.29Å; L232-F260 HydrophobicContact CD2-CZ 4.34Å; V256-F260 CarbonylContact O-C 3.51Å; V256-F260 VanDerWaalsContact O-CA 3.24Å; V256-F260 WeakPolarHBondContact O-CA 3.34Å; V256-F260 PolarHBondContact O-N 3.49Å; F260-V266 HydrophobicContact CD1-CB 4.43Å; F260-V266 HydrophobicContact CD1-CG1 4.29Å; F260-V266 HydrophobicContact CD1-CG2 4.11Å
261P92.3Very high93.3Very high43 Ų4344.6 Ų44.628%0.27928%0.28SS..  trans-60.4154.2179.826.3-34.4000110.5Y259 S263 T264Y259-P261 VanDerWaalsContact C-CD 3.47Å; P261-S263 PolarHBondContact O-N 3.36Å; P261-T264 HydrophobicContact CG-CG2 4.03Å; P261-T264 WeakPolarHBondContact O-CB 3.43Å; P261-T264 WeakPolarHBondContact O-CG2 3.49Å; P261-T264 PolarHBondContact O-N 3.37Å; P261-T264 PolarHBondContact O-OG1 2.93Å
262S88.7Confident93.5Very high104 Ų10444.1 Ų44.173%0.72728%0.276SS*.G310 helixtrans-55.5-21.7-174-43.60000114.5T264 G265S262-T264 PolarHBondContact O-N 3.35Å; S262-G265 PolarHBondContact O-N 3.39Å
263S88.9Confident93.4Very high112 Ų11244.5 Ų44.578%0.78328%0.28SS*.G310 helixtrans-64.2-21.2173.456.10000114.5P261 G265P261-S263 PolarHBondContact O-N 3.36Å; S263-G265 VanDerWaalsContact C-N 3.3Å
264T89.6Confident93.3Very high66 Ų6644.2 Ų44.241%0.40528%0.281SS..G310 helixtrans-74.5-22175.960.90000112.4P261 S262 V266P261-T264 HydrophobicContact CG-CG2 4.03Å; P261-T264 WeakPolarHBondContact O-CB 3.43Å; P261-T264 WeakPolarHBondContact O-CG2 3.49Å; P261-T264 PolarHBondContact O-N 3.37Å; P261-T264 PolarHBondContact O-OG1 2.93Å; S262-T264 PolarHBondContact O-N 3.35Å; T264-V266 PolarHBondContact O-N 2.94Å; T264-V266 PolarHBondContact OG1-N 3.44Å
265G92.1Very high93.3Very high59 Ų5940.5 Ų40.561%0.60825%0.254SS*.  trans70.515.8-175.900000114.3S262 S263S262-G265 PolarHBondContact O-N 3.39Å; S263-G265 VanDerWaalsContact C-N 3.3Å
266V96.1Very high93.4Very high23 Ų2338.8 Ų38.814%0.13925%0.246CC..  trans-71.8127.9175.41770000110F219 N230 L232 F260 T264F219-V266 HydrophobicContact CE1-CG1 4.06Å; F219-V266 HydrophobicContact CE1-CG2 3.83Å; F219-V266 HydrophobicContact CZ-CG1 4.14Å; N230-V266 CarbonylContact O-C 3.6Å; N230-V266 WeakPolarHBondContact O-CA 3.3Å; L232-V266 HydrophobicContact CB-CG1 3.96Å; F260-V266 HydrophobicContact CD1-CB 4.43Å; F260-V266 HydrophobicContact CD1-CG1 4.29Å; F260-V266 HydrophobicContact CD1-CG2 4.11Å; T264-V266 PolarHBondContact O-N 2.94Å; T264-V266 PolarHBondContact OG1-N 3.44Å
267S96.1Very high93.4Very high60 Ų6038.7 Ų38.742%0.4225%0.245SC..EExtended strand (participates in β ladder)trans-84.4129.2171.5-176.30000109.6N230 I231 L232N230-S267 PolarHBondContact O-N 3.45Å; I231-S267 WeakPolarHBondContact CA-O 3.37Å; L232-S267 PolarHBondContact N-O 3.06Å
268I96.3Very high93.4Very high12 Ų1235 Ų356%0.06223%0.227CC..EExtended strand (participates in β ladder)trans-105.7126.9-180-51.2166.9000108.3I62 R63 L232 I234 V256I62-I268 WeakPolarHBondContact CA-O 3.23Å; I62-I268 HydrophobicContact CD1-CG2 4.39Å; I62-I268 HydrophobicContact CG1-CB 4.34Å; I62-I268 HydrophobicContact CG1-CG2 3.85Å; I62-I268 HydrophobicContact CG2-CG2 4.36Å; R63-I268 PolarHBondContact N-O 2.95Å; R63-I268 VanDerWaalsContact N-O 3.11Å; L232-I268 WeakPolarHBondContact O-CA 3.49Å; I234-I268 HydrophobicContact CG2-CG2 4.19Å; V256-I268 HydrophobicContact CB-CD1 4.13Å; V256-I268 HydrophobicContact CG1-CD1 3.22Å; V256-I268 HydrophobicContact CG2-CD1 3.76Å
269I96.9Very high93.3Very high3 Ų332.1 Ų32.12%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-127.1160-179.471.2172.7000109.5R63 Y65 I109 I231 L232 D233 I234R63-I269 HydrophobicContact CB-CG2 4.43Å; R63-I269 WeakPolarHBondContact O-CA 3.45Å; Y65-I269 HydrophobicContact CD2-CB 3.86Å; Y65-I269 HydrophobicContact CD2-CD1 4.17Å; Y65-I269 HydrophobicContact CD2-CG2 4.05Å; Y65-I269 HydrophobicContact CE2-CB 3.95Å; Y65-I269 HydrophobicContact CE2-CD1 4.23Å; Y65-I269 HydrophobicContact CE2-CG2 3.59Å; I109-I269 HydrophobicContact CD1-CD1 3.37Å; I231-I269 HydrophobicContact CG2-CD1 3.88Å; I231-I269 HydrophobicContact CG2-CG1 4.15Å; L232-I269 PolarHBondContact O-N 3.35Å; D233-I269 WeakPolarHBondContact CA-O 3.37Å; D233-I269 HydrophobicContact CB-CD1 3.86Å; D233-I269 HydrophobicContact CB-CG1 3.54Å; I234-I269 WeakPolarHBondContact CG1-O 3.22Å; I234-I269 PolarHBondContact N-O 3.41Å
270A95.6Very high93.3Very high0 Ų028.8 Ų28.80%020%0.201CC..EExtended strand (participates in β ladder)trans-139.1162.4172.100000109.7W55 I62 R63 Y65 I234 F238 P272W55-A270 HydrophobicContact CH2-CB 3.66Å; W55-A270 HydrophobicContact CZ2-CB 3.75Å; I62-A270 HydrophobicContact CG2-CB 3.67Å; R63-A270 PolarHBondContact O-N 2.96Å; R63-A270 VanDerWaalsContact O-N 3.14Å; Y65-A270 PolarHBondContact N-O 3.04Å; I234-A270 HydrophobicContact CD1-CB 4.01Å; I234-A270 HydrophobicContact CG1-CB 3.67Å; F238-A270 HydrophobicContact CE2-CB 3.91Å; F238-A270 HydrophobicContact CZ-CB 4.07Å; A270-P272 WeakPolarHBondContact O-CD 3.42Å
271E94.6Very high93.3Very high11 Ų1128.6 Ų28.65%0.05120%0.201CC..  trans-11659.2-177-58.9-177.7149.700113.3Y65 T88 R195 G235 G273Y65-E271 VanDerWaalsContact O-CA 3.24Å; Y65-E271 WeakPolarHBondContact O-CA 3.33Å; T88-E271 HydrophobicContact CG2-CB 4.45Å; T88-E271 HydrophobicContact CG2-CG 3.71Å; T88-E271 WeakPolarHBondContact CG2-OE1 3.35Å; R195-E271 IonicContact CZ-OE1 3.59Å; R195-E271 VanDerWaalsContact CZ-OE1 3.28Å; R195-E271 IonicContact CZ-OE2 3.95Å; R195-E271 VanDerWaalsContact CZ-OE2 3.25Å; R195-E271 VanDerWaalsContact NE-CD 3.29Å; R195-E271 IonicContact NE-OE1 3.99Å; R195-E271 PolarHBondContact NE-OE1 3.22Å; R195-E271 IonicContact NE-OE2 3.92Å; R195-E271 PolarHBondContact NE-OE2 2.92Å; R195-E271 VanDerWaalsContact NE-OE2 3.1Å; R195-E271 VanDerWaalsContact NH2-CD 3.35Å; R195-E271 IonicContact NH2-OE1 2.88Å; R195-E271 PolarHBondContact NH2-OE1 3.45Å; R195-E271 IonicContact NH2-OE2 3.31Å; R195-E271 PolarHBondContact NH2-OE2 3.26Å; G235-E271 PolarHBondContact O-N 3.35Å; E271-G273 PolarHBondContact O-N 3.31Å
272P93.6Very high93.4Very high1 Ų127.5 Ų27.51%0.00619%0.193CC..  trans-65128.4176.728.8-35.7000111.5W55 P64 Y66 A67 F238 A270 F275 F276W55-P272 HydrophobicContact CE3-CB 4.47Å; W55-P272 HydrophobicContact CE3-CG 4.35Å; W55-P272 HydrophobicContact CH2-CB 4.38Å; W55-P272 HydrophobicContact CH2-CG 4.07Å; W55-P272 HydrophobicContact CZ3-CB 3.95Å; W55-P272 HydrophobicContact CZ3-CG 3.99Å; P64-P272 HydrophobicContact CB-CG 3.7Å; Y66-P272 WeakPolarHBondContact CA-O 3.26Å; Y66-P272 WeakPolarHBondContact CD2-O 3.37Å; A67-P272 PolarHBondContact N-O 2.96Å; F238-P272 HydrophobicContact CD2-CB 3.94Å; A270-P272 WeakPolarHBondContact O-CD 3.42Å; P272-F275 HydrophobicContact CB-CB 4.06Å; P272-F275 HydrophobicContact CB-CD1 4.28Å; P272-F275 HydrophobicContact CB-CG 4.42Å; P272-F276 HydrophobicContact CB-CD2 4.15Å; P272-F276 HydrophobicContact CB-CE2 4.03Å; P272-F276 HydrophobicContact CG-CD2 4.13Å; P272-F276 HydrophobicContact CG-CE2 3.57Å
273G91.6Very high93.7Very high8 Ų822.5 Ų22.58%0.08216%0.159CC..SBendtrans-112.6-81.5170.100000110.6C70 E271 F275 F276C70-G273 VanDerWaalsContact SG-C 3.52Å; E271-G273 PolarHBondContact O-N 3.31Å; G273-F275 PolarHBondContact O-N 3.44Å; G273-F275 VanDerWaalsContact O-N 3.11Å; G273-F276 PolarHBondContact O-N 3.29Å
274S90Very high94Very high20 Ų2017.3 Ų17.314%0.1412%0.122CC..Hα-helixtrans-51.2-38.3-176.2-173.40000113.3C70 F276 V277 S278 A387C70-S274 PolarHBondContact SG-N 3.19Å; S274-F276 PolarHBondContact O-N 3.37Å; S274-F276 VanDerWaalsContact O-N 3.11Å; S274-V277 PolarHBondContact O-N 2.94Å; S274-V277 VanDerWaalsContact O-N 3.14Å; S274-S278 VanDerWaalsContact O-CB 3.24Å; S274-S278 WeakPolarHBondContact O-CB 3.42Å; S274-S278 PolarHBondContact O-N 3.31Å; S274-S278 WeakPolarHBondContact OG-CB 3.44Å; S274-A387 WeakPolarHBondContact OG-CB 3.24Å
275F93Very high94.3Very high3 Ų314.1 Ų14.11%0.01310%0.103CC..Hα-helixtrans-44.1-43.8174.2172.8-92.6000114.5Q51 W55 F238 G240 L245 P272 G273Q51-F275 HydrophobicContact CB-CD1 4.36Å; Q51-F275 HydrophobicContact CB-CE1 3.79Å; Q51-F275 HydrophobicContact CB-CZ 4.14Å; Q51-F275 WeakPolarHBondContact CG-O 3.49Å; Q51-F275 PolarHBondContact NE2-O 2.87Å; Q51-F275 VanDerWaalsContact O-CE1 3.32Å; Q51-F275 WeakPolarHBondContact O-CE1 3.3Å; Q51-F275 WeakPolarHBondContact O-CZ 3.4Å; W55-F275 HydrophobicContact CB-CE1 4.05Å; W55-F275 HydrophobicContact CB-CZ 4.21Å; W55-F275 HydrophobicContact CE3-CD1 4.16Å; W55-F275 AromaticContact CE3-CE1 3.88Å; W55-F275 HydrophobicContact CE3-CE1 3.88Å; W55-F275 HydrophobicContact CE3-CZ 4.09Å; F238-F275 HydrophobicContact CB-CB 3.76Å; F238-F275 HydrophobicContact CB-CD2 4.05Å; F238-F275 HydrophobicContact CB-CG 4.16Å; F238-F275 PolarHBondContact O-N 2.88Å; G240-F275 VanDerWaalsContact CA-CD2 3.48Å; L245-F275 HydrophobicContact CD1-CE2 4.42Å; L245-F275 HydrophobicContact CD2-CE2 4Å; L245-F275 HydrophobicContact CD2-CZ 4.18Å; P272-F275 HydrophobicContact CB-CB 4.06Å; P272-F275 HydrophobicContact CB-CD1 4.28Å; P272-F275 HydrophobicContact CB-CG 4.42Å; G273-F275 PolarHBondContact O-N 3.44Å; G273-F275 VanDerWaalsContact O-N 3.11Å
276F94.6Very high94.4Very high0 Ų011.7 Ų11.70%08%0.076CC..Hα-helixtrans-80.4-38.6-177-79.8-66.3000113.2I48 Q51 H52 P64 Y66 L80 P272 G273 S274I48-F276 HydrophobicContact CG2-CD1 4.3Å; Q51-F276 HydrophobicContact CB-CD1 3.95Å; Q51-F276 HydrophobicContact CB-CE1 4.42Å; H52-F276 HydrophobicContact CB-CE1 3.94Å; P64-F276 HydrophobicContact CB-CE2 4.16Å; P64-F276 HydrophobicContact CB-CZ 4.21Å; P64-F276 HydrophobicContact CG-CZ 4.41Å; Y66-F276 HydrophobicContact CD2-CB 4.4Å; Y66-F276 AromaticContact CD2-CD2 3.87Å; Y66-F276 HydrophobicContact CD2-CD2 3.87Å; Y66-F276 HydrophobicContact CE2-CB 4.25Å; Y66-F276 HydrophobicContact CE2-CD2 4.49Å; L80-F276 HydrophobicContact CD1-CG 4.44Å; L80-F276 HydrophobicContact CD2-CD1 3.76Å; L80-F276 HydrophobicContact CD2-CD2 4.41Å; L80-F276 HydrophobicContact CD2-CE1 3.83Å; L80-F276 HydrophobicContact CD2-CE2 4.42Å; L80-F276 HydrophobicContact CD2-CG 4.07Å; L80-F276 HydrophobicContact CD2-CZ 4.17Å; P272-F276 HydrophobicContact CB-CD2 4.15Å; P272-F276 HydrophobicContact CB-CE2 4.03Å; P272-F276 HydrophobicContact CG-CD2 4.13Å; P272-F276 HydrophobicContact CG-CE2 3.57Å; G273-F276 PolarHBondContact O-N 3.29Å; S274-F276 PolarHBondContact O-N 3.37Å; S274-F276 VanDerWaalsContact O-N 3.11Å
277V94.3Very high94.3Very high0 Ų010.6 Ų10.60%07%0.069CC..Hα-helixtrans-112.2-26-161.3-65.10000114.3Y66 N71 V76 S274 T279 A280 F281 G386 A387Y66-V277 HydrophobicContact CE2-CG1 4.06Å; Y66-V277 WeakPolarHBondContact OH-CG1 3.39Å; N71-V277 HydrophobicContact CB-CB 4.2Å; N71-V277 HydrophobicContact CB-CG1 4.16Å; N71-V277 HydrophobicContact CB-CG2 3.92Å; V76-V277 HydrophobicContact CG1-CG1 3.68Å; V76-V277 HydrophobicContact CG2-CG1 4.39Å; S274-V277 PolarHBondContact O-N 2.94Å; S274-V277 VanDerWaalsContact O-N 3.14Å; V277-T279 PolarHBondContact O-N 2.93Å; V277-A280 WeakPolarHBondContact O-CB 3.46Å; V277-A280 PolarHBondContact O-N 3.48Å; V277-F281 HydrophobicContact CB-CE2 4.33Å; V277-F281 WeakPolarHBondContact O-CD2 3.4Å; V277-G386 VanDerWaalsContact CG2-O 3.28Å; V277-G386 WeakPolarHBondContact CG2-O 3.27Å; V277-G386 WeakPolarHBondContact O-CA 3.26Å; V277-A387 HydrophobicContact CG2-CB 4.33Å
278S91.8Very high94.2Very high19 Ų1911.3 Ų11.313%0.1337%0.067CC..G310 helixtrans-50.9-58.4-172.2170.70000111.5S274 A280 H384 A385 G386S274-S278 VanDerWaalsContact O-CB 3.24Å; S274-S278 WeakPolarHBondContact O-CB 3.42Å; S274-S278 PolarHBondContact O-N 3.31Å; S274-S278 WeakPolarHBondContact OG-CB 3.44Å; S278-A280 PolarHBondContact O-N 2.88Å; S278-H384 CarbonylContact O-C 3.6Å; S278-H384 WeakPolarHBondContact O-CA 3.07Å; S278-H384 PolarHBondContact OG-O 2.82Å; S278-A385 PolarHBondContact O-N 2.88Å; S278-G386 PolarHBondContact O-N 3.29Å
279T93.2Very high94.1Very high54 Ų5413.4 Ų13.433%0.3318%0.083SC..G310 helixtrans-71.6-11.7-179.351.40000114.6V47 V277 H384V47-T279 VanDerWaalsContact CG1-OG1 3.26Å; V47-T279 WeakPolarHBondContact CG1-OG1 3.37Å; V277-T279 PolarHBondContact O-N 2.93Å; T279-H384 VanDerWaalsContact CG2-ND1 3.26Å; T279-H384 WeakPolarHBondContact CG2-ND1 3.38Å
280A94.9Very high93.9Very high2 Ų215.5 Ų15.52%0.0179%0.092CC..G310 helixtrans-81.6-19.6-173.400000112.9A43 D44 V47 I48 V277 S278A43-A280 CarbonylContact C-O 3.51Å; A43-A280 VanDerWaalsContact CA-O 3.3Å; A43-A280 WeakPolarHBondContact CA-O 3.28Å; D44-A280 PolarHBondContact N-O 3.24Å; V47-A280 HydrophobicContact CB-CB 3.9Å; V47-A280 HydrophobicContact CG1-CB 3.93Å; I48-A280 HydrophobicContact CD1-CB 4.37Å; I48-A280 HydrophobicContact CG1-CB 3.8Å; V277-A280 WeakPolarHBondContact O-CB 3.46Å; V277-A280 PolarHBondContact O-N 3.48Å; S278-A280 PolarHBondContact O-N 2.88Å
281F95.2Very high93.7Very high0 Ų016.8 Ų16.80%010%0.103CC..EExtended strand (participates in β ladder)trans-116.2137.7-176-66.5-112.5000111.1F41 V42 A43 N71 V76 V277 H384 A385 L390 V405F41-F281 HydrophobicContact CB-CD1 4.43Å; F41-F281 HydrophobicContact CD1-CB 4.26Å; F41-F281 HydrophobicContact CD1-CD1 4.27Å; V42-F281 WeakPolarHBondContact O-CA 3.42Å; A43-F281 HydrophobicContact CB-CD1 3.59Å; A43-F281 HydrophobicContact CB-CD2 4.39Å; A43-F281 HydrophobicContact CB-CE1 3.43Å; A43-F281 VanDerWaalsContact CB-CE1 3.43Å; A43-F281 HydrophobicContact CB-CE2 4.24Å; A43-F281 HydrophobicContact CB-CG 4.07Å; A43-F281 HydrophobicContact CB-CZ 3.77Å; N71-F281 WeakPolarHBondContact ND2-CE2 3.24Å; N71-F281 VanDerWaalsContact ND2-CZ 3.32Å; N71-F281 WeakPolarHBondContact ND2-CZ 3.45Å; V76-F281 HydrophobicContact CG2-CE2 4Å; V76-F281 HydrophobicContact CG2-CZ 3.74Å; V277-F281 HydrophobicContact CB-CE2 4.33Å; V277-F281 WeakPolarHBondContact O-CD2 3.4Å; F281-H384 PolarHBondContact O-N 2.8Å; F281-A385 PolarHBondContact O-N 3.02Å; F281-L390 HydrophobicContact CD1-CD1 4.19Å; F281-L390 HydrophobicContact CE1-CD1 3.65Å; F281-L390 HydrophobicContact CZ-CD1 4.27Å; F281-V405 HydrophobicContact CD1-CG1 4.3Å; F281-V405 HydrophobicContact CE1-CG1 3.8Å
282T95.4Very high93.4Very high20 Ų2020.3 Ų20.312%0.12313%0.125CC..EExtended strand (participates in β ladder)trans-119.1129.6168.4-57.80000108.4I25 F41 V42 L381 F382I25-T282 HydrophobicContact CD1-CG2 4.01Å; F41-T282 WeakPolarHBondContact CA-O 3.39Å; V42-T282 PolarHBondContact N-O 3.49Å; V42-T282 PolarHBondContact O-N 3.13Å; T282-L381 HydrophobicContact CG2-CB 4.41Å; T282-F382 WeakPolarHBondContact CA-O 3.02Å
283L95.1Very high92.7Very high0 Ų024 Ų240%014%0.143CC..EExtended strand (participates in β ladder)trans-98.3127176.1173.661.8000109.5A39 F41 V285 F325 L381 F382 A385A39-L283 HydrophobicContact CB-CD1 4.5Å; F41-L283 HydrophobicContact CD1-CB 3.88Å; F41-L283 HydrophobicContact CD1-CD1 4.17Å; F41-L283 HydrophobicContact CD2-CD1 4.07Å; F41-L283 HydrophobicContact CE1-CB 3.6Å; F41-L283 HydrophobicContact CE1-CD1 3.93Å; F41-L283 HydrophobicContact CE1-CD2 4.35Å; F41-L283 HydrophobicContact CE1-CG 4.14Å; F41-L283 HydrophobicContact CE2-CD1 3.78Å; F41-L283 HydrophobicContact CG-CD1 4.26Å; F41-L283 HydrophobicContact CZ-CB 4.19Å; F41-L283 HydrophobicContact CZ-CD1 3.72Å; F41-L283 HydrophobicContact CZ-CD2 4.17Å; F41-L283 HydrophobicContact CZ-CG 4.23Å; L283-V285 HydrophobicContact CD1-CG1 4.09Å; L283-V285 HydrophobicContact CD2-CG1 3.86Å; L283-V285 HydrophobicContact CG-CG1 3.71Å; L283-F325 HydrophobicContact CD2-CE1 4.13Å; L283-F325 HydrophobicContact CD2-CE2 3.87Å; L283-F325 HydrophobicContact CD2-CZ 3.58Å; L283-L381 WeakPolarHBondContact O-CA 3.41Å; L283-F382 HydrophobicContact CB-CB 4.25Å; L283-F382 PolarHBondContact N-O 3.42Å; L283-F382 PolarHBondContact O-N 2.73Å; L283-A385 HydrophobicContact CB-CB 3.76Å
284A95.2Very high91.4Very high2 Ų227.1 Ų27.12%0.01717%0.168CC..EExtended strand (participates in β ladder)trans-103.3124.2170.700000109.6A39 F40 W379 L381A39-A284 VanDerWaalsContact CA-O 3.25Å; A39-A284 WeakPolarHBondContact CA-O 3.35Å; A39-A284 WeakPolarHBondContact CB-O 3.45Å; F40-A284 HydrophobicContact CD1-CB 4.15Å; F40-A284 HydrophobicContact CD2-CB 4.36Å; F40-A284 HydrophobicContact CE1-CB 3.76Å; F40-A284 HydrophobicContact CE2-CB 3.98Å; F40-A284 HydrophobicContact CG-CB 4.45Å; F40-A284 HydrophobicContact CZ-CB 3.68Å; F40-A284 PolarHBondContact N-O 3.27Å; F40-A284 VanDerWaalsContact N-O 3.1Å; F40-A284 PolarHBondContact O-N 3.31Å; A284-W379 HydrophobicContact CB-CE3 4.03Å; A284-W379 HydrophobicContact CB-CZ3 4.15Å; A284-L381 HydrophobicContact CB-CD2 3.65Å
285V94.5Very high89.8Confident0 Ų033.6 Ų33.60%019%0.189CC..EExtended strand (participates in β ladder)trans-124.1153178.3-55.70000111.1A39 L283 M317 E319 F325 W379 L380 F382A39-V285 HydrophobicContact CB-CG1 4.25Å; L283-V285 HydrophobicContact CD1-CG1 4.09Å; L283-V285 HydrophobicContact CD2-CG1 3.86Å; L283-V285 HydrophobicContact CG-CG1 3.71Å; V285-M317 HydrophobicContact CG2-CB 4.35Å; V285-M317 HydrophobicContact CG2-CG 4.24Å; V285-M317 HydrophobicContact CG2-SD 3.6Å; V285-E319 HydrophobicContact CG1-CB 3.93Å; V285-F325 HydrophobicContact CG1-CE2 4.3Å; V285-F325 HydrophobicContact CG1-CZ 4.42Å; V285-W379 WeakPolarHBondContact O-CA 3.4Å; V285-L380 HydrophobicContact CG2-CB 3.87Å; V285-L380 PolarHBondContact N-O 2.73Å; V285-L380 PolarHBondContact O-N 3.3Å; V285-F382 HydrophobicContact CG2-CD2 4Å; V285-F382 HydrophobicContact CG2-CE2 3.58Å
286N94.6Very high87.7Confident7 Ų740.1 Ų40.14%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-104.8138.5-179.7-164.8-107.6000111.2K37 I288 M317 N318 G377 D378 W379K37-N286 HydrophobicContact CB-CB 4.5Å; N286-I288 PolarHBondContact O-N 2.9Å; N286-M317 WeakPolarHBondContact O-CA 3.3Å; N286-N318 PolarHBondContact N-OD1 2.86Å; N286-N318 PolarHBondContact O-N 3.05Å; N286-N318 VanDerWaalsContact O-N 3.1Å; N286-N318 PolarHBondContact O-OD1 2.96Å; N286-G377 VanDerWaalsContact ND2-C 3.29Å; N286-G377 PolarHBondContact ND2-O 2.68Å; N286-D378 PolarHBondContact ND2-O 2.84Å; N286-W379 HydrophobicContact CB-CD2 4.44Å; N286-W379 HydrophobicContact CB-CE3 4.35Å; N286-W379 HydrophobicContact CB-CH2 4.37Å; N286-W379 HydrophobicContact CB-CZ2 4.44Å; N286-W379 HydrophobicContact CB-CZ3 4.31Å; N286-W379 PolarHBondContact ND2-NE1 3.43Å
287V94.4Very high85.3Confident0 Ų045.9 Ų45.90%026%0.263CS..EExtended strand (participates in β ladder)trans-75.5110.5170.6179.20000108.9Y315 L374 T376 G377 D378 L380V287-Y315 HydrophobicContact CG1-CD1 3.92Å; V287-Y315 HydrophobicContact CG1-CG 4.45Å; V287-L374 HydrophobicContact CG2-CD1 4.29Å; V287-T376 CarbonylContact O-C 3.51Å; V287-T376 WeakPolarHBondContact O-CA 3.28Å; V287-G377 PolarHBondContact O-N 3.42Å; V287-D378 PolarHBondContact N-O 2.88Å; V287-L380 HydrophobicContact CG2-CD1 4.22Å; V287-L380 HydrophobicContact CG2-CG 4.4Å
288I93.7Very high82.7Confident76 Ų7654.5 Ų54.539%0.3930%0.303SS..EExtended strand (participates in β ladder)trans-94.4-24.4-178.258.6169.4000113.1N286 Y316 M317 N318 P357 T376N286-I288 PolarHBondContact O-N 2.9Å; I288-Y316 WeakPolarHBondContact CG1-O 3.03Å; I288-Y316 PolarHBondContact N-O 2.92Å; I288-M317 WeakPolarHBondContact CD1-O 3.49Å; I288-N318 HydrophobicContact CG2-CB 3.77Å; I288-P357 HydrophobicContact CD1-CB 4.15Å; I288-T376 WeakPolarHBondContact O-CG2 3.45Å
289S93.1Very high80.5Confident55 Ų5560.9 Ų60.939%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-151155.5176.6-1720000111.2Y316S289-Y316 PolarHBondContact N-O 3.15Å; S289-Y316 PolarHBondContact O-N 3.1Å
290K94.1Very high77.9Confident48 Ų4867.1 Ų67.121%0.20936%0.361CS..EExtended strand (participates in β ladder)trans-136.8133.1-179.6173.5-174.4-176.4173.70108.9F313 Q314 Y315 E373 L374 D375K290-F313 VanDerWaalsContact CE-CE1 3.49Å; K290-F313 HydrophobicContact CG-CD1 4.49Å; K290-Q314 CarbonylContact C-O 3.58Å; K290-Q314 WeakPolarHBondContact CA-O 3.34Å; K290-Y315 HydrophobicContact CB-CD1 4.08Å; K290-Y315 HydrophobicContact CB-CE1 4.24Å; K290-Y315 HydrophobicContact CD-CE1 3.91Å; K290-Y315 HydrophobicContact CG-CD1 4Å; K290-Y315 HydrophobicContact CG-CE1 3.71Å; K290-E373 IonicContact NZ-OE1 3.24Å; K290-E373 PolarHBondContact NZ-OE1 2.89Å; K290-L374 VanDerWaalsContact CD-O 3.26Å; K290-L374 WeakPolarHBondContact CD-O 3.32Å; K290-L374 VanDerWaalsContact CE-O 3.3Å; K290-L374 WeakPolarHBondContact CE-O 3.49Å; K290-L374 PolarHBondContact NZ-O 3.18Å; K290-D375 IonicContact NZ-OD1 3.49Å
291A90.6Very high75.5Confident27 Ų2776.7 Ų76.722%0.22340%0.403CS..EExtended strand (participates in β ladder)trans-123.2138.116900000110M293 Q314 Y316A291-M293 HydrophobicContact CB-CE 4.31Å; A291-Q314 HydrophobicContact CB-CB 4.32Å; A291-Q314 PolarHBondContact N-O 3.24Å; A291-Q314 PolarHBondContact O-N 3.46Å; A291-Y316 HydrophobicContact CB-CE2 4.46Å
292V88.6Confident73Confident85 Ų8585.5 Ų85.552%0.51544%0.444SS..EExtended strand (participates in β ladder)trans-99.2116173.7-172.10000107.6P311 F313V292-P311 HydrophobicContact CG1-CB 3.92Å; V292-F313 HydrophobicContact CB-CE1 4.46Å; V292-F313 HydrophobicContact CG1-CE1 4.21Å; V292-F313 HydrophobicContact CG2-CD1 3.95Å; V292-F313 HydrophobicContact CG2-CE1 3.69Å
293M79.4Confident70.2Confident78 Ų7889.8 Ų89.838%0.38448%0.475SS..EExtended strand (participates in β ladder)trans-91109.2172.5-63.1-71.790.200107.8A291 R295 E312 Q314A291-M293 HydrophobicContact CB-CE 4.31Å; M293-R295 PolarHBondContact O-N 2.93Å; M293-E312 HydrophobicContact CB-CB 4.26Å; M293-E312 PolarHBondContact N-O 3.42Å; M293-E312 PolarHBondContact O-N 2.03Å; M293-Q314 HydrophobicContact CG-CG 3.82Å
294A63.9Low67.5Low74 Ų7498.4 Ų98.461%0.61252%0.515SS*.  trans-68.1129.5160.600000106.9D296A294-D296 PolarHBondContact O-N 3.38Å
295R56.9Low64.9Low156 Ų156105.3 Ų105.359%0.58955%0.551SS**  trans-6692.8164.8-77.8-170.3179.4-1733.3107.5M293 C297M293-R295 PolarHBondContact O-N 2.93Å; R295-C297 PolarHBondContact O-N 3.38Å
296D47.3Very low62.5Low140 Ų140108.9 Ų108.975%0.74958%0.576SS**  trans-61.8121.3172.7-90.8-20.8000108.6A294 Q298A294-D296 PolarHBondContact O-N 3.38Å; D296-Q298 VanDerWaalsContact C-N 3.26Å; D296-Q298 PolarHBondContact O-N 2.62Å
297C44.4Very low60.2Low121 Ų121113.1 Ų113.182%0.81861%0.612SS**  trans-57.279.3177.5-52.50000111.8R295R295-C297 PolarHBondContact O-N 3.38Å
298Q41.4Very low58Low180 Ų180118.6 Ų118.684%0.84164%0.641SS**  trans-91.8108.7160.9-69.3-1693.400107.7D296D296-Q298 VanDerWaalsContact C-N 3.26Å; D296-Q298 PolarHBondContact O-N 2.62Å
299D44.1Very low56.2Low153 Ų153121.4 Ų121.482%0.81865%0.652SS**SBendtrans78.377.9180-63.6-27.7000117.9
300Q39.2Very low54.9Low185 Ų185124.7 Ų124.786%0.86466%0.662SS**  -177.7129112.9-96.216537.500112.3
301K44.1Very low54.1Low203 Ų203124.6 Ų124.688%0.88367%0.666SS**  trans-71.9132.3163.4-82.2174.5176.2171.90108.9
302Q42Very low54Low186 Ų186125.7 Ų125.787%0.86967%0.666SS**SBendtrans87.4128163.7-64.5-179.7-21.700118.8
303S37Very low54.1Low110 Ų110121.8 Ų121.877%0.76964%0.643SS**  trans90.6116.7147-123.40000118
304E38.4Very low54.8Low181 Ų181120 Ų12085%0.84663%0.633SS**  trans59.1116.4160.6-59.3-174.4176.100116.6S306E304-S306 PolarHBondContact O-N 3.15Å
305L40.9Very low56.3Low146 Ų146116.5 Ų116.576%0.76460%0.604SS**  trans-53.2103.6174.1-56162.9000108.6E309L305-E309 WeakPolarHBondContact CD2-OE1 3.14Å; L305-E309 WeakPolarHBondContact CD2-OE2 3.44Å
306S44.3Very low58.1Low75 Ų75112.2 Ų112.252%0.52459%0.588SS.*  trans-82.9158.3172.383.40000109.5E304 N308E304-S306 PolarHBondContact O-N 3.15Å; S306-N308 PolarHBondContact O-N 3.44Å
307A45.8Very low60.3Low96 Ų96105.5 Ų105.579%0.79355%0.553SS**SBendtrans-63.929.2-178.600000115.8
308N49.4Very low62.6Low115 Ų115101 Ų10162%0.61552%0.521SS*.  trans-116.819.4-178.2-78.9-17.2000113S306S306-N308 PolarHBondContact O-N 3.44Å
309E55.5Low65Low135 Ų13593.1 Ų93.163%0.63148%0.484SS*.  trans-94.818.2175.4-66.3-169.8148.700113.5L305L305-E309 WeakPolarHBondContact CD2-OE1 3.14Å; L305-E309 WeakPolarHBondContact CD2-OE2 3.44Å
310E66.3Low67.2Low125 Ų12585.9 Ų85.958%0.58445%0.445SS*.PPolyproline II helixtrans-70.8133.8177.6-67.3-175.2165.300110.5F350E310-F350 HydrophobicContact CB-CD1 4.49Å
311P77Confident69.6Low45 Ų4577.1 Ų77.129%0.29241%0.405SS..PPolyproline II helixtrans-64.2140.6179.626.8-33.8000110.7V292 F313 F350V292-P311 HydrophobicContact CG1-CB 3.92Å; P311-F313 HydrophobicContact CB-CE2 4.23Å; P311-F313 HydrophobicContact CB-CZ 4.12Å; P311-F313 HydrophobicContact CG-CE2 3.88Å; P311-F313 HydrophobicContact CG-CZ 3.87Å; P311-F350 HydrophobicContact CG-CD1 3.89Å; P311-F350 HydrophobicContact CG-CE1 3.91Å
312E87Confident71.7Confident50 Ų5070 Ų7023%0.23437%0.373CS..EExtended strand (participates in β ladder)trans-98.2132.6169.4177.3153.3-136.600109.2M293 S351M293-E312 HydrophobicContact CB-CB 4.26Å; M293-E312 PolarHBondContact N-O 3.42Å; M293-E312 PolarHBondContact O-N 2.03Å; E312-S351 WeakPolarHBondContact CA-O 3.3Å; E312-S351 PolarHBondContact OE1-OG 2.66Å
313F91.6Very high73.9Confident3 Ų362 Ų621%0.01334%0.34CS..EExtended strand (participates in β ladder)trans-105.9140.2-177.7-64.9-78.4000111.6K290 V292 P311 Y315 F350 S351 S352 S353 E373K290-F313 VanDerWaalsContact CE-CE1 3.49Å; K290-F313 HydrophobicContact CG-CD1 4.49Å; V292-F313 HydrophobicContact CB-CE1 4.46Å; V292-F313 HydrophobicContact CG1-CE1 4.21Å; V292-F313 HydrophobicContact CG2-CD1 3.95Å; V292-F313 HydrophobicContact CG2-CE1 3.69Å; P311-F313 HydrophobicContact CB-CE2 4.23Å; P311-F313 HydrophobicContact CB-CZ 4.12Å; P311-F313 HydrophobicContact CG-CE2 3.88Å; P311-F313 HydrophobicContact CG-CZ 3.87Å; F313-Y315 HydrophobicContact CB-CD2 4.34Å; F313-Y315 HydrophobicContact CB-CE1 4.28Å; F313-Y315 HydrophobicContact CB-CE2 3.61Å; F313-Y315 HydrophobicContact CG-CE2 4.42Å; F313-Y315 AromaticContact CG-CZ 3.98Å; F313-Y315 WeakPolarHBondContact CG-OH 3.06Å; F313-F350 HydrophobicContact CD2-CB 3.62Å; F313-F350 HydrophobicContact CD2-CD2 4.3Å; F313-F350 HydrophobicContact CD2-CG 4Å; F313-F350 HydrophobicContact CE2-CB 3.71Å; F313-F350 HydrophobicContact CE2-CD1 4.01Å; F313-F350 AromaticContact CE2-CD2 3.68Å; F313-F350 HydrophobicContact CE2-CD2 3.68Å; F313-F350 HydrophobicContact CE2-CE2 4.26Å; F313-F350 AromaticContact CE2-CG 3.53Å; F313-F350 HydrophobicContact CE2-CG 3.53Å; F313-S351 PolarHBondContact N-O 3.46Å; F313-S352 CarbonylContact O-C 3.58Å; F313-S352 VanDerWaalsContact O-CA 3.23Å; F313-S352 WeakPolarHBondContact O-CA 3.48Å; F313-S353 PolarHBondContact O-N 3.16Å; F313-E373 HydrophobicContact CE1-CG 4.12Å; F313-E373 HydrophobicContact CE2-CB 4.38Å; F313-E373 HydrophobicContact CE2-CG 4.32Å; F313-E373 HydrophobicContact CZ-CB 4.3Å; F313-E373 HydrophobicContact CZ-CG 3.8Å
314Q93.8Very high76.4Confident41 Ų4156.9 Ų56.919%0.19230%0.304CS..EExtended strand (participates in β ladder)trans-114.9120.2167.6-55.7-175-38.800107.8K290 A291 M293 Y316 S353K290-Q314 CarbonylContact C-O 3.58Å; K290-Q314 WeakPolarHBondContact CA-O 3.34Å; A291-Q314 HydrophobicContact CB-CB 4.32Å; A291-Q314 PolarHBondContact N-O 3.24Å; A291-Q314 PolarHBondContact O-N 3.46Å; M293-Q314 HydrophobicContact CG-CG 3.82Å; Q314-Y316 HydrophobicContact CB-CE2 4.46Å; Q314-S353 WeakPolarHBondContact CG-OG 3.23Å
315Y95.4Very high78.9Confident0 Ų048.6 Ų48.60%027%0.265CS..EExtended strand (participates in β ladder)trans-109.3128.6176.6-58.1-70.5000109.5V287 K290 F313 S353 L354 W355 L374V287-Y315 HydrophobicContact CG1-CD1 3.92Å; V287-Y315 HydrophobicContact CG1-CG 4.45Å; K290-Y315 HydrophobicContact CB-CD1 4.08Å; K290-Y315 HydrophobicContact CB-CE1 4.24Å; K290-Y315 HydrophobicContact CD-CE1 3.91Å; K290-Y315 HydrophobicContact CG-CD1 4Å; K290-Y315 HydrophobicContact CG-CE1 3.71Å; F313-Y315 HydrophobicContact CB-CD2 4.34Å; F313-Y315 HydrophobicContact CB-CE1 4.28Å; F313-Y315 HydrophobicContact CB-CE2 3.61Å; F313-Y315 HydrophobicContact CG-CE2 4.42Å; F313-Y315 AromaticContact CG-CZ 3.98Å; F313-Y315 WeakPolarHBondContact CG-OH 3.06Å; Y315-S353 PolarHBondContact N-O 2.74Å; Y315-L354 HydrophobicContact CD2-CD2 3.92Å; Y315-L354 HydrophobicContact CG-CD2 4.33Å; Y315-L354 WeakPolarHBondContact O-CA 3.39Å; Y315-W355 PolarHBondContact O-N 3.48Å; Y315-L374 HydrophobicContact CD1-CB 4.28Å; Y315-L374 HydrophobicContact CD2-CD1 4.33Å; Y315-L374 HydrophobicContact CE1-CB 3.67Å; Y315-L374 HydrophobicContact CE1-CG 4.42Å; Y315-L374 HydrophobicContact CE2-CB 4.46Å; Y315-L374 HydrophobicContact CE2-CD1 4.17Å; Y315-L374 HydrophobicContact CE2-CG 4.36Å; Y315-L374 PolarHBondContact OH-N 3Å
316Y94.9Very high81Confident66 Ų6642.8 Ų42.826%0.25924%0.237SC..EExtended strand (participates in β ladder)trans-99.6130.9173.1-58.8-95.1000108.5I288 S289 A291 Q314 W355I288-Y316 WeakPolarHBondContact CG1-O 3.03Å; I288-Y316 PolarHBondContact N-O 2.92Å; S289-Y316 PolarHBondContact N-O 3.15Å; S289-Y316 PolarHBondContact O-N 3.1Å; A291-Y316 HydrophobicContact CB-CE2 4.46Å; Q314-Y316 HydrophobicContact CB-CE2 4.46Å; Y316-W355 CarbonylContact C-O 3.56Å; Y316-W355 WeakPolarHBondContact CA-O 3.35Å; Y316-W355 HydrophobicContact CD1-CB 3.59Å; Y316-W355 HydrophobicContact CD1-CG 4.31Å; Y316-W355 HydrophobicContact CE1-CB 3.83Å; Y316-W355 HydrophobicContact CE1-CG 4.1Å; Y316-W355 HydrophobicContact CG-CB 4.28Å
317M94.8Very high82.9Confident0 Ų039.6 Ų39.60%021%0.214CC..EExtended strand (participates in β ladder)trans-106.1160.7-176.4-56.2179.5-58.400110.3V285 N286 I288 E319 F325 L354 W355 P357 V365 L380 F382V285-M317 HydrophobicContact CG2-CB 4.35Å; V285-M317 HydrophobicContact CG2-CG 4.24Å; V285-M317 HydrophobicContact CG2-SD 3.6Å; N286-M317 WeakPolarHBondContact O-CA 3.3Å; I288-M317 WeakPolarHBondContact CD1-O 3.49Å; M317-E319 PolarHBondContact O-N 2.99Å; M317-F325 HydrophobicContact CE-CE2 4.09Å; M317-F325 HydrophobicContact CE-CZ 4.49Å; M317-L354 HydrophobicContact CE-CB 3.93Å; M317-L354 HydrophobicContact SD-CB 4.09Å; M317-L354 HydrophobicContact SD-CD1 4.13Å; M317-W355 PolarHBondContact N-O 3.2Å; M317-P357 WeakPolarHBondContact O-CB 3.34Å; M317-P357 WeakPolarHBondContact O-CD 3.25Å; M317-V365 HydrophobicContact CE-CB 3.89Å; M317-V365 HydrophobicContact CE-CG1 4.1Å; M317-V365 HydrophobicContact CE-CG2 3.76Å; M317-L380 HydrophobicContact SD-CD1 4.11Å; M317-F382 HydrophobicContact CE-CZ 4.27Å; M317-F382 HydrophobicContact SD-CE2 3.9Å; M317-F382 HydrophobicContact SD-CZ 3.96Å
318N91.5Very high84.7Confident27 Ų2738.3 Ų38.314%0.14419%0.191CC..SBendtrans-76.22.8172.762.4-11.4000114K37 A39 N286 I288K37-N318 PolarHBondContact O-ND2 3.44Å; A39-N318 PolarHBondContact N-ND2 3.22Å; A39-N318 VanDerWaalsContact N-ND2 3.15Å; N286-N318 PolarHBondContact N-OD1 2.86Å; N286-N318 PolarHBondContact O-N 3.05Å; N286-N318 VanDerWaalsContact O-N 3.1Å; N286-N318 PolarHBondContact O-OD1 2.96Å; I288-N318 HydrophobicContact CG2-CB 3.77Å
319E91.8Very high86.2Confident14 Ų1438 Ų387%0.06519%0.189CC..  trans-139152.5173.8-105-70.1-141.400111.3A39 V285 M317 S324 F325 G356 P403A39-E319 HydrophobicContact CB-CB 4.46Å; A39-E319 HydrophobicContact CB-CG 3.95Å; V285-E319 HydrophobicContact CG1-CB 3.93Å; M317-E319 PolarHBondContact O-N 2.99Å; E319-S324 VanDerWaalsContact OE1-CB 3.29Å; E319-S324 WeakPolarHBondContact OE1-CB 3.42Å; E319-S324 PolarHBondContact OE1-N 3.46Å; E319-S324 PolarHBondContact OE1-OG 3.39Å; E319-S324 PolarHBondContact OE2-N 2.77Å; E319-F325 HydrophobicContact CB-CE2 4.16Å; E319-G356 WeakPolarHBondContact O-CA 3.49Å; E319-P403 HydrophobicContact CG-CG 3.95Å; E319-P403 WeakPolarHBondContact OE1-CD 3.48Å; E319-P403 WeakPolarHBondContact OE1-CG 3.38Å
320G90.7Very high86.8Confident1 Ų135.2 Ų35.21%0.0118%0.184CC..  trans-153-170.4-168.200000114.8Y322 G323 F325 D363G320-Y322 PolarHBondContact O-N 3.17Å; G320-G323 CarbonylContact O-C 3.55Å; G320-G323 PolarHBondContact O-N 3.24Å; G320-G323 VanDerWaalsContact O-N 3.13Å; G320-F325 WeakPolarHBondContact O-CB 3.24Å; G320-F325 PolarHBondContact O-N 3.43Å; G320-D363 VanDerWaalsContact CA-OD1 3.28Å; G320-D363 WeakPolarHBondContact CA-OD1 3.46Å
321V90.2Very high86.6Confident1 Ų136.1 Ų36.11%0.00619%0.188CC..THydrogen-bonded Turntrans-62.6-29.1-179.11790000111.6G323 S326 K328 L329 D363 V365V321-G323 VanDerWaalsContact C-N 3.28Å; V321-G323 PolarHBondContact O-N 3.27Å; V321-S326 WeakPolarHBondContact O-CA 3.48Å; V321-S326 WeakPolarHBondContact O-CB 3.33Å; V321-S326 PolarHBondContact O-N 2.94Å; V321-K328 HydrophobicContact CG2-CB 4.42Å; V321-K328 HydrophobicContact CG2-CG 4.47Å; V321-L329 HydrophobicContact CG1-CD1 3.87Å; V321-L329 HydrophobicContact CG1-CD2 3.72Å; V321-L329 HydrophobicContact CG1-CG 3.51Å; V321-D363 PolarHBondContact N-OD1 3.17Å; V321-V365 HydrophobicContact CG2-CG2 4.13Å
322Y87.9Confident86.1Confident54 Ų5436.3 Ų36.321%0.21219%0.189CC..THydrogen-bonded Turntrans-81.7-5.1178.5-56.8-61.6000114.9G320 D360 D363 F395G320-Y322 PolarHBondContact O-N 3.17Å; Y322-D360 WeakPolarHBondContact CE2-OD2 3.37Å; Y322-D360 PolarHBondContact OH-OD1 3.36Å; Y322-D360 PolarHBondContact OH-OD2 3.18Å; Y322-D363 HydrophobicContact CD2-CB 4.36Å; Y322-D363 HydrophobicContact CE2-CB 3.94Å; Y322-F395 AromaticContact CD1-CD2 3.9Å; Y322-F395 HydrophobicContact CD1-CD2 3.9Å; Y322-F395 AromaticContact CD1-CE2 3.34Å; Y322-F395 HydrophobicContact CD1-CE2 3.34Å; Y322-F395 HydrophobicContact CD1-CZ 4.39Å; Y322-F395 AromaticContact CE1-CE2 3.58Å; Y322-F395 HydrophobicContact CE1-CE2 3.58Å; Y322-F395 HydrophobicContact CE1-CZ 4.24Å; Y322-F395 HydrophobicContact CG-CD2 4.09Å; Y322-F395 AromaticContact CG-CE2 3.9Å; Y322-F395 HydrophobicContact CG-CE2 3.9Å
323G87.9Confident85.3Confident17 Ų1740.3 Ų40.318%0.17522%0.216CC..THydrogen-bonded Turntrans-121.7-116.3174.600000110.7G320 V321 F325 S326G320-G323 CarbonylContact O-C 3.55Å; G320-G323 PolarHBondContact O-N 3.24Å; G320-G323 VanDerWaalsContact O-N 3.13Å; V321-G323 VanDerWaalsContact C-N 3.28Å; V321-G323 PolarHBondContact O-N 3.27Å; G323-F325 PolarHBondContact O-N 3.18Å; G323-S326 PolarHBondContact O-N 2.66Å; G323-S326 PolarHBondContact O-OG 3.44Å
324S89.7Confident84.7Confident3 Ų341.8 Ų41.82%0.02122%0.224CC..THydrogen-bonded Turntrans-66.8-17.5-171.6-62.40000115.2F41 E319 T389F41-S324 WeakPolarHBondContact CZ-OG 3.45Å; E319-S324 VanDerWaalsContact OE1-CB 3.29Å; E319-S324 WeakPolarHBondContact OE1-CB 3.42Å; E319-S324 PolarHBondContact OE1-N 3.46Å; E319-S324 PolarHBondContact OE1-OG 3.39Å; E319-S324 PolarHBondContact OE2-N 2.77Å; S324-T389 WeakPolarHBondContact CA-O 3.33Å; S324-T389 VanDerWaalsContact O-CA 3.31Å; S324-T389 WeakPolarHBondContact O-CA 3.37Å; S324-T389 WeakPolarHBondContact O-CB 3.45Å; S324-T389 WeakPolarHBondContact O-CG2 3.42Å
325F89.9Confident84.1Confident6 Ų641 Ų413%0.02622%0.224CC..THydrogen-bonded Turntrans-103.419.8179.1-59-78.2000113.8L283 V285 M317 E319 G320 G323 S327 K328 I334 V365 F382L283-F325 HydrophobicContact CD2-CE1 4.13Å; L283-F325 HydrophobicContact CD2-CE2 3.87Å; L283-F325 HydrophobicContact CD2-CZ 3.58Å; V285-F325 HydrophobicContact CG1-CE2 4.3Å; V285-F325 HydrophobicContact CG1-CZ 4.42Å; M317-F325 HydrophobicContact CE-CE2 4.09Å; M317-F325 HydrophobicContact CE-CZ 4.49Å; E319-F325 HydrophobicContact CB-CE2 4.16Å; G320-F325 WeakPolarHBondContact O-CB 3.24Å; G320-F325 PolarHBondContact O-N 3.43Å; G323-F325 PolarHBondContact O-N 3.18Å; F325-S327 PolarHBondContact O-N 3Å; F325-K328 VanDerWaalsContact O-CB 3.28Å; F325-K328 WeakPolarHBondContact O-CB 3.47Å; F325-K328 PolarHBondContact O-N 3.45Å; F325-I334 HydrophobicContact CB-CD1 4.31Å; F325-I334 HydrophobicContact CD1-CD1 3.87Å; F325-I334 HydrophobicContact CD1-CG2 4.17Å; F325-I334 HydrophobicContact CE1-CG2 4.11Å; F325-I334 HydrophobicContact CG-CD1 4.46Å; F325-V365 HydrophobicContact CB-CG1 3.95Å; F325-V365 HydrophobicContact CB-CG2 4.24Å; F325-V365 HydrophobicContact CD1-CG1 3.53Å; F325-V365 HydrophobicContact CD2-CG1 3.84Å; F325-V365 HydrophobicContact CD2-CG2 3.94Å; F325-V365 HydrophobicContact CE1-CG1 3.86Å; F325-V365 HydrophobicContact CE2-CG1 4.15Å; F325-V365 HydrophobicContact CG-CG1 3.5Å; F325-V365 VanDerWaalsContact CG-CG1 3.5Å; F325-V365 HydrophobicContact CG-CG2 4.16Å; F325-V365 HydrophobicContact CZ-CG1 4.15Å; F325-F382 HydrophobicContact CE1-CB 4.38Å; F325-F382 AromaticContact CE1-CD1 3.66Å; F325-F382 HydrophobicContact CE1-CD1 3.66Å; F325-F382 HydrophobicContact CE1-CD2 4.21Å; F325-F382 AromaticContact CE1-CE1 3.83Å; F325-F382 HydrophobicContact CE1-CE1 3.83Å; F325-F382 HydrophobicContact CE1-CE2 4.39Å; F325-F382 AromaticContact CE1-CG 3.82Å; F325-F382 HydrophobicContact CE1-CG 3.82Å; F325-F382 HydrophobicContact CE1-CZ 4.18Å; F325-F382 AromaticContact CZ-CD1 4Å; F325-F382 HydrophobicContact CZ-CD1 4Å; F325-F382 AromaticContact CZ-CD2 3.72Å; F325-F382 HydrophobicContact CZ-CD2 3.72Å; F325-F382 AromaticContact CZ-CE1 4Å; F325-F382 HydrophobicContact CZ-CE1 4Å; F325-F382 AromaticContact CZ-CE2 3.76Å; F325-F382 HydrophobicContact CZ-CE2 3.76Å; F325-F382 AromaticContact CZ-CG 3.83Å; F325-F382 HydrophobicContact CZ-CG 3.83Å; F325-F382 AromaticContact CZ-CZ 3.86Å; F325-F382 HydrophobicContact CZ-CZ 3.86Å
326S86.4Confident83.6Confident25 Ų2544.8 Ų44.818%0.17526%0.256CS..G310 helixtrans-57.6-22.5177.457.60000114.3V321 G323 K328 L329 Y388V321-S326 WeakPolarHBondContact O-CA 3.48Å; V321-S326 WeakPolarHBondContact O-CB 3.33Å; V321-S326 PolarHBondContact O-N 2.94Å; G323-S326 PolarHBondContact O-N 2.66Å; G323-S326 PolarHBondContact O-OG 3.44Å; S326-K328 PolarHBondContact O-N 3.24Å; S326-K328 VanDerWaalsContact O-N 3.15Å; S326-L329 WeakPolarHBondContact O-CB 3.21Å; S326-L329 PolarHBondContact O-N 2.86Å; S326-L329 VanDerWaalsContact O-N 3.08Å; S326-Y388 PolarHBondContact OG-O 3.33Å
327S82.8Confident83.4Confident7 Ų742.6 Ų42.65%0.04925%0.249CC..G310 helixtrans-58.9-21.5172.669.60000114F325 L329 S330 E331 T332F325-S327 PolarHBondContact O-N 3Å; S327-L329 VanDerWaalsContact C-N 3.26Å; S327-L329 PolarHBondContact O-N 2.88Å; S327-S330 CarbonylContact O-C 3.58Å; S327-S330 PolarHBondContact O-N 3.45Å; S327-S330 PolarHBondContact O-OG 2.57Å; S327-E331 PolarHBondContact O-N 3.25Å; S327-T332 WeakPolarHBondContact O-CB 3.29Å; S327-T332 PolarHBondContact O-N 3.17Å
328K84.8Confident83.1Confident70 Ų7045.1 Ų45.130%0.30427%0.267SS..G310 helixtrans-60.3-36173.5-176.561.8174.6-177.30112V321 F325 S326 S330 E331 I334 D367V321-K328 HydrophobicContact CG2-CB 4.42Å; V321-K328 HydrophobicContact CG2-CG 4.47Å; F325-K328 VanDerWaalsContact O-CB 3.28Å; F325-K328 WeakPolarHBondContact O-CB 3.47Å; F325-K328 PolarHBondContact O-N 3.45Å; S326-K328 PolarHBondContact O-N 3.24Å; S326-K328 VanDerWaalsContact O-N 3.15Å; K328-S330 PolarHBondContact O-N 2.88Å; K328-E331 PolarHBondContact O-N 3.41Å; K328-I334 HydrophobicContact CB-CD1 4.13Å; K328-I334 HydrophobicContact CD-CD1 4.2Å; K328-I334 HydrophobicContact CG-CD1 4.47Å; K328-D367 IonicContact NZ-OD1 3.88Å; K328-D367 IonicContact NZ-OD2 2.94Å; K328-D367 PolarHBondContact NZ-OD2 2.87Å
329L80.6Confident83Confident109 Ų10945.2 Ų45.257%0.57127%0.268SS*.G310 helixtrans-70.8-23.1179.1-62.1175.9000112.6V321 S326 S327 L394V321-L329 HydrophobicContact CG1-CD1 3.87Å; V321-L329 HydrophobicContact CG1-CD2 3.72Å; V321-L329 HydrophobicContact CG1-CG 3.51Å; S326-L329 WeakPolarHBondContact O-CB 3.21Å; S326-L329 PolarHBondContact O-N 2.86Å; S326-L329 VanDerWaalsContact O-N 3.08Å; S327-L329 VanDerWaalsContact C-N 3.26Å; S327-L329 PolarHBondContact O-N 2.88Å; L329-L394 HydrophobicContact CD1-CD1 4.33Å
330S66.9Low82.6Confident75 Ų7547.1 Ų47.152%0.52428%0.277SS..G310 helixtrans-101.625.4176.158.20000112.3S327 K328 T332S327-S330 CarbonylContact O-C 3.58Å; S327-S330 PolarHBondContact O-N 3.45Å; S327-S330 PolarHBondContact O-OG 2.57Å; K328-S330 PolarHBondContact O-N 2.88Å; S330-T332 PolarHBondContact O-N 3.31Å
331E62.8Low81.9Confident144 Ų14452.4 Ų52.467%0.67330%0.3SS*.THydrogen-bonded Turntrans56.922.6175.9-57.3-174.9179.800115.3S327 K328 V333S327-E331 PolarHBondContact O-N 3.25Å; K328-E331 PolarHBondContact O-N 3.41Å; E331-V333 PolarHBondContact O-N 3.4Å
332T65.8Low80.5Confident50 Ų5060.7 Ų60.731%0.30734%0.344SS..PPolyproline II helixtrans-76.8127173.3-53.40000109.3S327 S330 I334S327-T332 WeakPolarHBondContact O-CB 3.29Å; S327-T332 PolarHBondContact O-N 3.17Å; S330-T332 PolarHBondContact O-N 3.31Å; T332-I334 PolarHBondContact O-N 3.36Å
333V71Confident79Confident133 Ų13360.3 Ų60.381%0.80635%0.348SS*.PPolyproline II helixtrans-62.3118.8176.9-178.70000109.2E331E331-V333 PolarHBondContact O-N 3.4Å
334I79.8Confident77.5Confident35 Ų3563 Ų6318%0.17936%0.363CS..PPolyproline II helixtrans-74.4129.6170-56.2179.4000107.5F325 K328 T332 V365 F382F325-I334 HydrophobicContact CB-CD1 4.31Å; F325-I334 HydrophobicContact CD1-CD1 3.87Å; F325-I334 HydrophobicContact CD1-CG2 4.17Å; F325-I334 HydrophobicContact CE1-CG2 4.11Å; F325-I334 HydrophobicContact CG-CD1 4.46Å; K328-I334 HydrophobicContact CB-CD1 4.13Å; K328-I334 HydrophobicContact CD-CD1 4.2Å; K328-I334 HydrophobicContact CG-CD1 4.47Å; T332-I334 PolarHBondContact O-N 3.36Å; I334-V365 HydrophobicContact CD1-CG1 3.52Å; I334-V365 WeakPolarHBondContact CD1-O 3.3Å; I334-F382 HydrophobicContact CG2-CD1 3.84Å; I334-F382 HydrophobicContact CG2-CE1 3.99Å
335A81.4Confident76Confident24 Ų2471.4 Ų71.420%0.19841%0.407CS..PPolyproline II helixtrans-61.9150.6176.600000111.2P383 H384A335-P383 HydrophobicContact CB-CG 4.18Å; A335-P383 WeakPolarHBondContact CB-O 3.28Å; A335-H384 HydrophobicContact CB-CB 4.12Å
336A84.3Confident74.9Confident80 Ų8078.4 Ų78.466%0.66145%0.445SS*.PPolyproline II helixtrans-58.5130.5178.900000110.6
337P89.9Confident74.4Confident19 Ų1981.3 Ų81.312%0.12346%0.458CS..PPolyproline II helixtrans-67.1149.5176.728.6-34.7000110.4L354 L371 F382P337-L354 HydrophobicContact CB-CD1 4.13Å; P337-L354 HydrophobicContact CG-CD1 3.81Å; P337-L371 HydrophobicContact CG-CD2 4.45Å; P337-F382 HydrophobicContact CB-CD1 4.25Å; P337-F382 HydrophobicContact CB-CE1 3.79Å; P337-F382 HydrophobicContact CB-CE2 4.25Å; P337-F382 HydrophobicContact CB-CZ 3.81Å; P337-F382 HydrophobicContact CG-CE1 4.37Å
338S89.6Confident74.4Confident54 Ų5484.8 Ų84.838%0.37848%0.48SS..EExtended strand (participates in β ladder)trans-121.1143170.656.70000110.2L381S338-L381 PolarHBondContact N-O 3.22Å; S338-L381 PolarHBondContact O-N 3.12Å; S338-L381 WeakPolarHBondContact OG-CB 3.43Å; S338-L381 PolarHBondContact OG-O 3.01Å
339V89.5Confident74.6Confident28 Ų2885 Ų8517%0.1749%0.487CS..EExtended strand (participates in β ladder)trans-81.5131.1177.8-176.40000108.4K341 L371 P372 L374 L380V339-K341 VanDerWaalsContact C-N 3.35Å; V339-K341 HydrophobicContact CG1-CB 4.3Å; V339-K341 PolarHBondContact O-N 3.1Å; V339-L371 HydrophobicContact CG2-CD2 3.87Å; V339-P372 HydrophobicContact CG2-CG 3.91Å; V339-L374 HydrophobicContact CG1-CD2 3.79Å; V339-L374 HydrophobicContact CG2-CD2 3.95Å; V339-L380 HydrophobicContact CG2-CD2 3.96Å
340H83.7Confident75Confident55 Ų5581 Ų8126%0.25547%0.465SS..SBendtrans-65.1-37.3179.9162.653.4000112.7N26 I29 D342 W379 L381N26-H340 PolarHBondContact OD1-CE1 3.32Å; N26-H340 PolarHBondContact OD1-ND1 3.36Å; N26-H340 VanDerWaalsContact OD1-ND1 3.15Å; I29-H340 HydrophobicContact CD1-CB 3.93Å; H340-D342 PolarHBondContact O-N 3.31Å; H340-W379 HydrophobicContact CB-CB 3.9Å; H340-W379 PolarHBondContact N-O 3.21Å; H340-W379 VanDerWaalsContact N-O 3.12Å; H340-L381 HydrophobicContact CB-CD1 4.3Å; H340-L381 HydrophobicContact CB-CG 4.27Å
341K74.6Confident76.2Confident112 Ų11278.3 Ų78.349%0.48745%0.447SS..SBendtrans-66.4132.8177.5-69.5-178.5-173.7162.70109.5V339 T343 D378V339-K341 VanDerWaalsContact C-N 3.35Å; V339-K341 HydrophobicContact CG1-CB 4.3Å; V339-K341 PolarHBondContact O-N 3.1Å; K341-T343 PolarHBondContact O-N 2.98Å; K341-T343 PolarHBondContact O-OG1 2.63Å; K341-D378 VanDerWaalsContact CE-OD1 3.27Å; K341-D378 WeakPolarHBondContact CE-OD1 3.36Å; K341-D378 VanDerWaalsContact NZ-CG 3.26Å; K341-D378 IonicContact NZ-OD1 3.57Å; K341-D378 PolarHBondContact NZ-OD1 3.32Å; K341-D378 IonicContact NZ-OD2 3.85Å; K341-D378 PolarHBondContact NZ-OD2 3.45Å
342D60.5Low77.6Confident174 Ų17471.5 Ų71.593%0.9342%0.415SS*.  trans-61.590.1174.8-139.5-1.2000108.4H340 S344H340-D342 PolarHBondContact O-N 3.31Å; D342-S344 PolarHBondContact O-N 3.34Å
343T56.3Low78.9Confident47 Ų4769.3 Ų69.329%0.28840%0.402SS..  trans-79.9108-173.9-50.10000104K341 L345 L347 P372K341-T343 PolarHBondContact O-N 2.98Å; K341-T343 PolarHBondContact O-OG1 2.63Å; T343-L345 PolarHBondContact O-N 3.15Å; T343-L347 HydrophobicContact CG2-CB 3.86Å; T343-L347 HydrophobicContact CG2-CD1 3.35Å; T343-L347 HydrophobicContact CG2-CG 4.16Å; T343-P372 HydrophobicContact CG2-CB 4.04Å; T343-P372 HydrophobicContact CG2-CG 3.86Å
344S56.6Low80.1Confident72 Ų7263 Ų6350%0.50336%0.363SS..  trans-47.4132.3171.955.20000108.3D342 D346 L347D342-S344 PolarHBondContact O-N 3.34Å; S344-D346 PolarHBondContact O-N 2.82Å; S344-L347 PolarHBondContact O-N 3.33Å
345L58.8Low80.8Confident181 Ų18162.9 Ų62.995%0.94836%0.361SS*.THydrogen-bonded Turntrans-53.1-8.8-174.8-72.6164.7000114.9T343T343-L345 PolarHBondContact O-N 3.15Å
346D66Low81.3Confident153 Ų15361.8 Ų61.882%0.81835%0.352SS*.THydrogen-bonded Turntrans-1014-176.8-60.8-35.3000114.7S344S344-D346 PolarHBondContact O-N 2.82Å
347L76.1Confident81.6Confident86 Ų8661.4 Ų61.445%0.4534%0.342SS..SBendtrans-73.8137.9177.6-79.1167.6000111.3T343 S344 V349 P372T343-L347 HydrophobicContact CG2-CB 3.86Å; T343-L347 HydrophobicContact CG2-CD1 3.35Å; T343-L347 HydrophobicContact CG2-CG 4.16Å; S344-L347 PolarHBondContact O-N 3.33Å; L347-V349 PolarHBondContact O-N 2.99Å; L347-P372 HydrophobicContact CB-CB 4.49Å
348P84.2Confident81.5Confident79 Ų7963.2 Ų63.251%0.51336%0.356SS..PPolyproline II helixtrans-63.9134.6176.627.9-33.3000109.7F350 P372P348-F350 HydrophobicContact CB-CE2 4.08Å; P348-F350 HydrophobicContact CB-CZ 3.96Å; P348-F350 HydrophobicContact CG-CE2 4.03Å; P348-F350 HydrophobicContact CG-CZ 4.03Å; P348-F350 WeakPolarHBondContact O-CE2 3.35Å; P348-P372 WeakPolarHBondContact O-CA 3.38Å
349V88.6Confident81.2Confident74 Ų7463.7 Ų63.745%0.44837%0.369SS..EExtended strand (participates in β ladder)trans-103.8146.3175.3-64.80000109.8L347 L370 L371L347-V349 PolarHBondContact O-N 2.99Å; V349-L370 HydrophobicContact CB-CB 4.3Å; V349-L370 HydrophobicContact CG2-CB 4.34Å; V349-L371 CarbonylContact C-O 3.45Å; V349-L371 WeakPolarHBondContact CA-O 3.34Å
350F89.7Confident81.1Confident25 Ų2564.9 Ų64.911%0.1137%0.374CS..EExtended strand (participates in β ladder)trans-128.8151.4-174.5-58.4-85.4000110.8E310 P311 F313 P348 S352 L371 E373E310-F350 HydrophobicContact CB-CD1 4.49Å; P311-F350 HydrophobicContact CG-CD1 3.89Å; P311-F350 HydrophobicContact CG-CE1 3.91Å; F313-F350 HydrophobicContact CD2-CB 3.62Å; F313-F350 HydrophobicContact CD2-CD2 4.3Å; F313-F350 HydrophobicContact CD2-CG 4Å; F313-F350 HydrophobicContact CE2-CB 3.71Å; F313-F350 HydrophobicContact CE2-CD1 4.01Å; F313-F350 AromaticContact CE2-CD2 3.68Å; F313-F350 HydrophobicContact CE2-CD2 3.68Å; F313-F350 HydrophobicContact CE2-CE2 4.26Å; F313-F350 AromaticContact CE2-CG 3.53Å; F313-F350 HydrophobicContact CE2-CG 3.53Å; P348-F350 HydrophobicContact CB-CE2 4.08Å; P348-F350 HydrophobicContact CB-CZ 3.96Å; P348-F350 HydrophobicContact CG-CE2 4.03Å; P348-F350 HydrophobicContact CG-CZ 4.03Å; P348-F350 WeakPolarHBondContact O-CE2 3.35Å; F350-S352 PolarHBondContact O-N 3.39Å; F350-S352 PolarHBondContact O-OG 3.22Å; F350-S352 VanDerWaalsContact O-OG 3.1Å; F350-L371 PolarHBondContact N-O 3.18Å; F350-L371 PolarHBondContact O-N 3.08Å; F350-E373 HydrophobicContact CD2-CB 4.27Å; F350-E373 HydrophobicContact CE2-CB 4.03Å
351S91.5Very high81.3Confident20 Ų2069 Ų6914%0.1440%0.398CS..EExtended strand (participates in β ladder)trans-56.5122168.4-173.10000109.1E312 F313 H368E312-S351 WeakPolarHBondContact CA-O 3.3Å; E312-S351 PolarHBondContact OE1-OG 2.66Å; F313-S351 PolarHBondContact N-O 3.46Å; S351-H368 PolarHBondContact OG-CE1 3.19Å; S351-H368 PolarHBondContact OG-ND1 3.02Å
352S92.6Very high81.9Confident0 Ų069.5 Ų69.50%041%0.406CS..EExtended strand (participates in β ladder)trans-136144.7-176.5-58.10000111.3F313 F350 H368 C369F313-S352 CarbonylContact O-C 3.58Å; F313-S352 VanDerWaalsContact O-CA 3.23Å; F313-S352 WeakPolarHBondContact O-CA 3.48Å; F350-S352 PolarHBondContact O-N 3.39Å; F350-S352 PolarHBondContact O-OG 3.22Å; F350-S352 VanDerWaalsContact O-OG 3.1Å; S352-H368 CarbonylContact O-C 3.55Å; S352-C369 PolarHBondContact N-O 2.98Å; S352-C369 PolarHBondContact O-N 3.15Å; S352-C369 PolarHBondContact O-SG 3.07Å
353S93.3Very high83.3Confident4 Ų461.4 Ų61.43%0.02836%0.362CS..EExtended strand (participates in β ladder)trans-119.3144.5168.756.80000110.3F313 Q314 Y315 W355 V366 D367F313-S353 PolarHBondContact O-N 3.16Å; Q314-S353 WeakPolarHBondContact CG-OG 3.23Å; Y315-S353 PolarHBondContact N-O 2.74Å; S353-W355 PolarHBondContact OG-NE1 2.86Å; S353-V366 WeakPolarHBondContact CA-O 3.48Å; S353-D367 WeakPolarHBondContact CB-O 3.41Å
354L94.7Very high85Confident0 Ų061.7 Ų61.70%036%0.36CS..EExtended strand (participates in β ladder)trans-113.7128.3-178.4-55.3-177.2000110.2Y315 M317 P337 V365 V366 L371 L380 F382Y315-L354 HydrophobicContact CD2-CD2 3.92Å; Y315-L354 HydrophobicContact CG-CD2 4.33Å; Y315-L354 WeakPolarHBondContact O-CA 3.39Å; M317-L354 HydrophobicContact CE-CB 3.93Å; M317-L354 HydrophobicContact SD-CB 4.09Å; M317-L354 HydrophobicContact SD-CD1 4.13Å; P337-L354 HydrophobicContact CB-CD1 4.13Å; P337-L354 HydrophobicContact CG-CD1 3.81Å; L354-V365 PolarHBondContact O-N 3.24Å; L354-V366 HydrophobicContact CB-CB 3.92Å; L354-V366 HydrophobicContact CB-CG2 4.21Å; L354-V366 HydrophobicContact CD1-CB 4.19Å; L354-V366 HydrophobicContact CD1-CG2 3.95Å; L354-V366 HydrophobicContact CG-CB 4.09Å; L354-V366 HydrophobicContact CG-CG2 4.37Å; L354-V366 PolarHBondContact N-O 2.92Å; L354-V366 PolarHBondContact O-N 2.89Å; L354-L371 HydrophobicContact CD1-CD1 4.49Å; L354-L371 HydrophobicContact CD2-CD1 3.96Å; L354-L380 HydrophobicContact CD1-CD1 3.91Å; L354-L380 HydrophobicContact CD2-CD1 3.85Å; L354-F382 HydrophobicContact CD1-CE1 4.39Å; L354-F382 HydrophobicContact CD1-CZ 3.69Å
355W94.6Very high86.7Confident33 Ų3358.3 Ų58.313%0.12534%0.337CS..EExtended strand (participates in β ladder)trans-123.3149-174.3-62.278.5000109.8Y315 Y316 M317 S353 D363 Q364Y315-W355 PolarHBondContact O-N 3.48Å; Y316-W355 CarbonylContact C-O 3.56Å; Y316-W355 WeakPolarHBondContact CA-O 3.35Å; Y316-W355 HydrophobicContact CD1-CB 3.59Å; Y316-W355 HydrophobicContact CD1-CG 4.31Å; Y316-W355 HydrophobicContact CE1-CB 3.83Å; Y316-W355 HydrophobicContact CE1-CG 4.1Å; Y316-W355 HydrophobicContact CG-CB 4.28Å; M317-W355 PolarHBondContact N-O 3.2Å; S353-W355 PolarHBondContact OG-NE1 2.86Å; W355-D363 CarbonylContact C-O 3.58Å; W355-D363 WeakPolarHBondContact CA-O 3.39Å; W355-Q364 HydrophobicContact CD2-CB 4.28Å; W355-Q364 HydrophobicContact CD2-CG 4.14Å; W355-Q364 HydrophobicContact CE3-CB 3.83Å; W355-Q364 HydrophobicContact CE3-CG 4.19Å; W355-Q364 HydrophobicContact CH2-CB 3.96Å; W355-Q364 HydrophobicContact CH2-CG 3.97Å; W355-Q364 HydrophobicContact CZ2-CB 4.38Å; W355-Q364 HydrophobicContact CZ2-CG 3.91Å; W355-Q364 HydrophobicContact CZ3-CB 3.66Å; W355-Q364 HydrophobicContact CZ3-CG 4.1Å
356G92.7Very high88.2Confident1 Ų150.6 Ų50.61%0.0130%0.297CS..  trans-79.8-177.1170.300000113.1E319 D363E319-G356 WeakPolarHBondContact O-CA 3.49Å; G356-D363 VanDerWaalsContact CA-CG 3.46Å; G356-D363 WeakPolarHBondContact CA-OD2 3.42Å; G356-D363 PolarHBondContact N-O 3.35Å
357P91.3Very high89.4Confident72 Ų7247.2 Ų47.247%0.46828%0.279SS..THydrogen-bonded Turntrans-82.7-7.7-17132.3-35.8000114.4I288 M317 G359 D363I288-P357 HydrophobicContact CD1-CB 4.15Å; M317-P357 WeakPolarHBondContact O-CB 3.34Å; M317-P357 WeakPolarHBondContact O-CD 3.25Å; P357-G359 PolarHBondContact O-N 3.46Å; P357-D363 WeakPolarHBondContact CD-OD2 3.39Å; P357-D363 VanDerWaalsContact N-OD2 3.16Å
358S87.3Confident90Very high57 Ų5748.8 Ų48.840%0.39928%0.284SS..THydrogen-bonded Turntrans-73.1-27.7-171.177.40000113.7D360 D363S358-D360 VanDerWaalsContact C-N 3.32Å; S358-D360 VanDerWaalsContact CB-OD2 3.26Å; S358-D360 WeakPolarHBondContact CB-OD2 3.49Å; S358-D360 VanDerWaalsContact OG-CG 3.3Å; S358-D360 PolarHBondContact OG-N 3.44Å; S358-D360 PolarHBondContact OG-OD2 3.06Å; S358-D363 VanDerWaalsContact CB-OD2 3.27Å; S358-D363 WeakPolarHBondContact CB-OD2 3.29Å; S358-D363 PolarHBondContact N-OD2 3.39Å; S358-D363 WeakPolarHBondContact OG-CB 3.31Å; S358-D363 PolarHBondContact OG-OD2 3.42Å
359G82.3Confident90.3Very high64 Ų6445.8 Ų45.866%0.6627%0.265SS*.  trans73.815.8-175.300000115P357P357-G359 PolarHBondContact O-N 3.46Å
360D87.9Confident90.4Very high53 Ų5347.7 Ų47.728%0.28327%0.272SS..SBendtrans-101.6157.1169.97287.7000113Y322 S358 L362 D363Y322-D360 WeakPolarHBondContact CE2-OD2 3.37Å; Y322-D360 PolarHBondContact OH-OD1 3.36Å; Y322-D360 PolarHBondContact OH-OD2 3.18Å; S358-D360 VanDerWaalsContact C-N 3.32Å; S358-D360 VanDerWaalsContact CB-OD2 3.26Å; S358-D360 WeakPolarHBondContact CB-OD2 3.49Å; S358-D360 VanDerWaalsContact OG-CG 3.3Å; S358-D360 PolarHBondContact OG-N 3.44Å; S358-D360 PolarHBondContact OG-OD2 3.06Å; D360-L362 PolarHBondContact O-N 2.91Å; D360-L362 VanDerWaalsContact O-N 3.13Å; D360-L362 WeakPolarHBondContact OD1-CA 3.38Å; D360-L362 VanDerWaalsContact OD1-CB 3.29Å; D360-L362 WeakPolarHBondContact OD1-CB 3.34Å; D360-L362 PolarHBondContact OD1-N 3.05Å; D360-D363 PolarHBondContact O-N 2.82Å; D360-D363 PolarHBondContact OD1-N 3.46Å
361D87.1Confident90.4Very high142 Ų14246.8 Ų46.876%0.75927%0.268SS*.THydrogen-bonded Turntrans-65.1-17.3-173.6-61.8-22.1000113.6
362L88.1Confident90.4Very high123 Ų12346.6 Ų46.664%0.64427%0.266SS*.THydrogen-bonded Turntrans-87.8-12.8177.6-54.9175.5000112.5D360 Q364D360-L362 PolarHBondContact O-N 2.91Å; D360-L362 VanDerWaalsContact O-N 3.13Å; D360-L362 WeakPolarHBondContact OD1-CA 3.38Å; D360-L362 VanDerWaalsContact OD1-CB 3.29Å; D360-L362 WeakPolarHBondContact OD1-CB 3.34Å; D360-L362 PolarHBondContact OD1-N 3.05Å; L362-Q364 PolarHBondContact O-N 3.28Å; L362-Q364 VanDerWaalsContact O-N 3.16Å
363D90.6Very high90.3Very high3 Ų351.7 Ų51.72%0.01629%0.29CS..  trans-85.831.7177.4-156.714.7000112.1G320 V321 Y322 W355 G356 P357 S358 D360G320-D363 VanDerWaalsContact CA-OD1 3.28Å; G320-D363 WeakPolarHBondContact CA-OD1 3.46Å; V321-D363 PolarHBondContact N-OD1 3.17Å; Y322-D363 HydrophobicContact CD2-CB 4.36Å; Y322-D363 HydrophobicContact CE2-CB 3.94Å; W355-D363 CarbonylContact C-O 3.58Å; W355-D363 WeakPolarHBondContact CA-O 3.39Å; G356-D363 VanDerWaalsContact CA-CG 3.46Å; G356-D363 WeakPolarHBondContact CA-OD2 3.42Å; G356-D363 PolarHBondContact N-O 3.35Å; P357-D363 WeakPolarHBondContact CD-OD2 3.39Å; P357-D363 VanDerWaalsContact N-OD2 3.16Å; S358-D363 VanDerWaalsContact CB-OD2 3.27Å; S358-D363 WeakPolarHBondContact CB-OD2 3.29Å; S358-D363 PolarHBondContact N-OD2 3.39Å; S358-D363 WeakPolarHBondContact OG-CB 3.31Å; S358-D363 PolarHBondContact OG-OD2 3.42Å; D360-D363 PolarHBondContact O-N 2.82Å; D360-D363 PolarHBondContact OD1-N 3.46Å
364Q91.5Very high90.3Very high53 Ų5351.7 Ų51.725%0.24829%0.29CS..EExtended strand (participates in β ladder)trans-85.6111.1171.7-166.3170.818.500109.2W355 L362 D367W355-Q364 HydrophobicContact CD2-CB 4.28Å; W355-Q364 HydrophobicContact CD2-CG 4.14Å; W355-Q364 HydrophobicContact CE3-CB 3.83Å; W355-Q364 HydrophobicContact CE3-CG 4.19Å; W355-Q364 HydrophobicContact CH2-CB 3.96Å; W355-Q364 HydrophobicContact CH2-CG 3.97Å; W355-Q364 HydrophobicContact CZ2-CB 4.38Å; W355-Q364 HydrophobicContact CZ2-CG 3.91Å; W355-Q364 HydrophobicContact CZ3-CB 3.66Å; W355-Q364 HydrophobicContact CZ3-CG 4.1Å; L362-Q364 PolarHBondContact O-N 3.28Å; L362-Q364 VanDerWaalsContact O-N 3.16Å; Q364-D367 VanDerWaalsContact CD-OD1 3.26Å; Q364-D367 WeakPolarHBondContact CG-OD1 3.45Å; Q364-D367 PolarHBondContact OE1-OD1 3.43Å
365V91.4Very high90.2Very high1 Ų156.3 Ų56.31%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-82.8-51.8-177.9-178.50000110M317 V321 F325 I334 L354M317-V365 HydrophobicContact CE-CB 3.89Å; M317-V365 HydrophobicContact CE-CG1 4.1Å; M317-V365 HydrophobicContact CE-CG2 3.76Å; V321-V365 HydrophobicContact CG2-CG2 4.13Å; F325-V365 HydrophobicContact CB-CG1 3.95Å; F325-V365 HydrophobicContact CB-CG2 4.24Å; F325-V365 HydrophobicContact CD1-CG1 3.53Å; F325-V365 HydrophobicContact CD2-CG1 3.84Å; F325-V365 HydrophobicContact CD2-CG2 3.94Å; F325-V365 HydrophobicContact CE1-CG1 3.86Å; F325-V365 HydrophobicContact CE2-CG1 4.15Å; F325-V365 HydrophobicContact CG-CG1 3.5Å; F325-V365 VanDerWaalsContact CG-CG1 3.5Å; F325-V365 HydrophobicContact CG-CG2 4.16Å; F325-V365 HydrophobicContact CZ-CG1 4.15Å; I334-V365 HydrophobicContact CD1-CG1 3.52Å; I334-V365 WeakPolarHBondContact CD1-O 3.3Å; L354-V365 PolarHBondContact O-N 3.24Å
366V91.8Very high90.1Very high19 Ų1959 Ų5912%0.11533%0.334CS..EExtended strand (participates in β ladder)trans-126117.3179.4-175.60000109.6S353 L354 C369 F382S353-V366 WeakPolarHBondContact CA-O 3.48Å; L354-V366 HydrophobicContact CB-CB 3.92Å; L354-V366 HydrophobicContact CB-CG2 4.21Å; L354-V366 HydrophobicContact CD1-CB 4.19Å; L354-V366 HydrophobicContact CD1-CG2 3.95Å; L354-V366 HydrophobicContact CG-CB 4.09Å; L354-V366 HydrophobicContact CG-CG2 4.37Å; L354-V366 PolarHBondContact N-O 2.92Å; L354-V366 PolarHBondContact O-N 2.89Å; V366-C369 HydrophobicContact CG1-CB 3.87Å; V366-F382 HydrophobicContact CG2-CE1 4.22Å
367D89.3Confident90Very high82 Ų8259.4 Ų59.444%0.43934%0.339SS..EExtended strand (participates in β ladder)trans-69.4-43.6-174.8-51.9-41.5000111.5K328 S353 Q364K328-D367 IonicContact NZ-OD1 3.88Å; K328-D367 IonicContact NZ-OD2 2.94Å; K328-D367 PolarHBondContact NZ-OD2 2.87Å; S353-D367 WeakPolarHBondContact CB-O 3.41Å; Q364-D367 VanDerWaalsContact CD-OD1 3.26Å; Q364-D367 WeakPolarHBondContact CG-OD1 3.45Å; Q364-D367 PolarHBondContact OE1-OD1 3.43Å
368H88.6Confident90.1Very high120 Ų12056.9 Ų56.956%0.55632%0.322SS*.EExtended strand (participates in β ladder)trans-150.5128.2179.3-178.173.9000111.1S351 S352S351-H368 PolarHBondContact OG-CE1 3.19Å; S351-H368 PolarHBondContact OG-ND1 3.02Å; S352-H368 CarbonylContact O-C 3.55Å
369C91.1Very high90.5Very high16 Ų1654.7 Ų54.711%0.10831%0.305CS..EExtended strand (participates in β ladder)trans-147.8163.4171.762.30000110.8S352 V366S352-C369 PolarHBondContact N-O 2.98Å; S352-C369 PolarHBondContact O-N 3.15Å; S352-C369 PolarHBondContact O-SG 3.07Å; V366-C369 HydrophobicContact CG1-CB 3.87Å
370L90.9Very high91Very high114 Ų11451.6 Ų51.660%0.59727%0.273SS*.EExtended strand (participates in β ladder)trans-104117.3174.9-65.4176.5000108.9V349V349-L370 HydrophobicContact CB-CB 4.3Å; V349-L370 HydrophobicContact CG2-CB 4.34Å
371L90.3Very high91.4Very high6 Ų650.1 Ų50.13%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-133.1149.1179.2-68.1172.4000109.6P337 V339 V349 F350 L354 L374 L380P337-L371 HydrophobicContact CG-CD2 4.45Å; V339-L371 HydrophobicContact CG2-CD2 3.87Å; V349-L371 CarbonylContact C-O 3.45Å; V349-L371 WeakPolarHBondContact CA-O 3.34Å; F350-L371 PolarHBondContact N-O 3.18Å; F350-L371 PolarHBondContact O-N 3.08Å; L354-L371 HydrophobicContact CD1-CD1 4.49Å; L354-L371 HydrophobicContact CD2-CD1 3.96Å; L371-L374 HydrophobicContact CD1-CD1 4.2Å; L371-L380 HydrophobicContact CD1-CD2 4.42Å; L371-L380 HydrophobicContact CD2-CD2 4.43Å
372P91.1Very high91.7Very high16 Ų1643.5 Ų43.510%0.10423%0.23CC..EExtended strand (participates in β ladder)trans-58.8163.6163.331.2-37.3000110V339 T343 L347 P348 L374V339-P372 HydrophobicContact CG2-CG 3.91Å; T343-P372 HydrophobicContact CG2-CB 4.04Å; T343-P372 HydrophobicContact CG2-CG 3.86Å; L347-P372 HydrophobicContact CB-CB 4.49Å; P348-P372 WeakPolarHBondContact O-CA 3.38Å; P372-L374 HydrophobicContact CG-CD2 4.16Å; P372-L374 PolarHBondContact O-N 3.27Å
373E91.3Very high91.9Very high107 Ų10739.6 Ų39.650%0.521%0.212SC..  trans-61.6122.2170.8-175.1173.5-173.800109.9K290 F313 F350K290-E373 IonicContact NZ-OE1 3.24Å; K290-E373 PolarHBondContact NZ-OE1 2.89Å; F313-E373 HydrophobicContact CE1-CG 4.12Å; F313-E373 HydrophobicContact CE2-CB 4.38Å; F313-E373 HydrophobicContact CE2-CG 4.32Å; F313-E373 HydrophobicContact CZ-CB 4.3Å; F313-E373 HydrophobicContact CZ-CG 3.8Å; F350-E373 HydrophobicContact CD2-CB 4.27Å; F350-E373 HydrophobicContact CE2-CB 4.03Å
374L92.2Very high91.9Very high3 Ų344.3 Ų44.32%0.01623%0.233CC..  trans-105.6157.6178.6-55175.1000110.3V287 K290 Y315 V339 L371 P372 D378 L380V287-L374 HydrophobicContact CG2-CD1 4.29Å; K290-L374 VanDerWaalsContact CD-O 3.26Å; K290-L374 WeakPolarHBondContact CD-O 3.32Å; K290-L374 VanDerWaalsContact CE-O 3.3Å; K290-L374 WeakPolarHBondContact CE-O 3.49Å; K290-L374 PolarHBondContact NZ-O 3.18Å; Y315-L374 HydrophobicContact CD1-CB 4.28Å; Y315-L374 HydrophobicContact CD2-CD1 4.33Å; Y315-L374 HydrophobicContact CE1-CB 3.67Å; Y315-L374 HydrophobicContact CE1-CG 4.42Å; Y315-L374 HydrophobicContact CE2-CB 4.46Å; Y315-L374 HydrophobicContact CE2-CD1 4.17Å; Y315-L374 HydrophobicContact CE2-CG 4.36Å; Y315-L374 PolarHBondContact OH-N 3Å; V339-L374 HydrophobicContact CG1-CD2 3.79Å; V339-L374 HydrophobicContact CG2-CD2 3.95Å; L371-L374 HydrophobicContact CD1-CD1 4.2Å; P372-L374 HydrophobicContact CG-CD2 4.16Å; P372-L374 PolarHBondContact O-N 3.27Å; L374-D378 HydrophobicContact CB-CB 4.43Å; L374-L380 HydrophobicContact CD1-CD1 4.25Å; L374-L380 HydrophobicContact CD1-CD2 3.8Å; L374-L380 HydrophobicContact CD1-CG 4.2Å
375D92.8Very high91.9Very high97 Ų9742.2 Ų42.252%0.51923%0.225SC..  trans-114.4159.7172.5-72.9-45.7000112.2K290 G377 D378K290-D375 IonicContact NZ-OD1 3.49Å; D375-G377 PolarHBondContact O-N 3.41Å; D375-D378 PolarHBondContact N-OD2 3.13Å; D375-D378 VanDerWaalsContact O-CB 3.27Å; D375-D378 WeakPolarHBondContact O-CB 3.43Å; D375-D378 PolarHBondContact O-N 3.1Å
376T93.1Very high91.9Very high89 Ų8942.1 Ų42.155%0.54623%0.225SC..THydrogen-bonded Turntrans-57.5126.9172.4-61.10000110.3V287 I288V287-T376 CarbonylContact O-C 3.51Å; V287-T376 WeakPolarHBondContact O-CA 3.28Å; I288-T376 WeakPolarHBondContact O-CG2 3.45Å
377G90.8Very high91.8Very high11 Ų1141.6 Ų41.611%0.11322%0.222CC..THydrogen-bonded Turntrans100.8-8-174.200000114.3N286 V287 D375N286-G377 VanDerWaalsContact ND2-C 3.29Å; N286-G377 PolarHBondContact ND2-O 2.68Å; V287-G377 PolarHBondContact O-N 3.42Å; D375-G377 PolarHBondContact O-N 3.41Å
378D93.2Very high91.7Very high19 Ų1941.3 Ų41.310%0.10222%0.216CC..  trans-73.1155.9173.5-71.6-9.4000112N286 V287 K341 L374 D375N286-D378 PolarHBondContact ND2-O 2.84Å; V287-D378 PolarHBondContact N-O 2.88Å; K341-D378 VanDerWaalsContact CE-OD1 3.27Å; K341-D378 WeakPolarHBondContact CE-OD1 3.36Å; K341-D378 VanDerWaalsContact NZ-CG 3.26Å; K341-D378 IonicContact NZ-OD1 3.57Å; K341-D378 PolarHBondContact NZ-OD1 3.32Å; K341-D378 IonicContact NZ-OD2 3.85Å; K341-D378 PolarHBondContact NZ-OD2 3.45Å; L374-D378 HydrophobicContact CB-CB 4.43Å; D375-D378 PolarHBondContact N-OD2 3.13Å; D375-D378 VanDerWaalsContact O-CB 3.27Å; D375-D378 WeakPolarHBondContact O-CB 3.43Å; D375-D378 PolarHBondContact O-N 3.1Å
379W94.2Very high91.4Very high10 Ų1036 Ų364%0.03819%0.192CC..EExtended strand (participates in β ladder)trans-110.7134.3-175.1-70.287.4000111.6I29 Q32 T33 K37 S38 F40 A284 V285 N286 H340I29-W379 HydrophobicContact CD1-CB 4.02Å; I29-W379 HydrophobicContact CD1-CD2 4.39Å; I29-W379 HydrophobicContact CD1-CG 4.12Å; I29-W379 HydrophobicContact CG1-CD2 4.05Å; I29-W379 HydrophobicContact CG1-CE3 4.3Å; I29-W379 HydrophobicContact CG1-CG 4.2Å; I29-W379 HydrophobicContact CG2-CD2 4.24Å; I29-W379 HydrophobicContact CG2-CG 3.94Å; Q32-W379 HydrophobicContact CB-CH2 3.83Å; Q32-W379 HydrophobicContact CB-CZ2 3.76Å; Q32-W379 HydrophobicContact CG-CH2 4.44Å; T33-W379 PolarHBondContact OG1-NE1 3.13Å; K37-W379 HydrophobicContact CB-CZ2 4.25Å; S38-W379 WeakPolarHBondContact O-CH2 3.4Å; F40-W379 HydrophobicContact CD1-CH2 4.19Å; F40-W379 HydrophobicContact CD1-CZ3 4.04Å; F40-W379 HydrophobicContact CE1-CE3 4.44Å; F40-W379 AromaticContact CE1-CH2 3.89Å; F40-W379 HydrophobicContact CE1-CH2 3.89Å; F40-W379 AromaticContact CE1-CZ3 3.73Å; F40-W379 HydrophobicContact CE1-CZ3 3.73Å; A284-W379 HydrophobicContact CB-CE3 4.03Å; A284-W379 HydrophobicContact CB-CZ3 4.15Å; V285-W379 WeakPolarHBondContact O-CA 3.4Å; N286-W379 HydrophobicContact CB-CD2 4.44Å; N286-W379 HydrophobicContact CB-CE3 4.35Å; N286-W379 HydrophobicContact CB-CH2 4.37Å; N286-W379 HydrophobicContact CB-CZ2 4.44Å; N286-W379 HydrophobicContact CB-CZ3 4.31Å; N286-W379 PolarHBondContact ND2-NE1 3.43Å; H340-W379 HydrophobicContact CB-CB 3.9Å; H340-W379 PolarHBondContact N-O 3.21Å; H340-W379 VanDerWaalsContact N-O 3.12Å
380L94.7Very high90.7Very high0 Ų037 Ų370%020%0.196CC..EExtended strand (participates in β ladder)trans-111.2138171.1-69.4174000109.3V285 V287 M317 V339 L354 L371 L374 F382V285-L380 HydrophobicContact CG2-CB 3.87Å; V285-L380 PolarHBondContact N-O 2.73Å; V285-L380 PolarHBondContact O-N 3.3Å; V287-L380 HydrophobicContact CG2-CD1 4.22Å; V287-L380 HydrophobicContact CG2-CG 4.4Å; M317-L380 HydrophobicContact SD-CD1 4.11Å; V339-L380 HydrophobicContact CG2-CD2 3.96Å; L354-L380 HydrophobicContact CD1-CD1 3.91Å; L354-L380 HydrophobicContact CD2-CD1 3.85Å; L371-L380 HydrophobicContact CD1-CD2 4.42Å; L371-L380 HydrophobicContact CD2-CD2 4.43Å; L374-L380 HydrophobicContact CD1-CD1 4.25Å; L374-L380 HydrophobicContact CD1-CD2 3.8Å; L374-L380 HydrophobicContact CD1-CG 4.2Å; L380-F382 HydrophobicContact CB-CE2 4.04Å
381L94.9Very high89.1Confident21 Ų2133.3 Ų33.311%0.1119%0.185CC..EExtended strand (participates in β ladder)trans-110.8125.3178-57.8179.6000109.3I25 I29 T282 L283 A284 S338 H340 P383I25-L381 HydrophobicContact CG2-CD1 4.1Å; I25-L381 HydrophobicContact CG2-CD2 3.68Å; I29-L381 HydrophobicContact CD1-CD2 4.19Å; T282-L381 HydrophobicContact CG2-CB 4.41Å; L283-L381 WeakPolarHBondContact O-CA 3.41Å; A284-L381 HydrophobicContact CB-CD2 3.65Å; S338-L381 PolarHBondContact N-O 3.22Å; S338-L381 PolarHBondContact O-N 3.12Å; S338-L381 WeakPolarHBondContact OG-CB 3.43Å; S338-L381 PolarHBondContact OG-O 3.01Å; H340-L381 HydrophobicContact CB-CD1 4.3Å; H340-L381 HydrophobicContact CB-CG 4.27Å; L381-P383 WeakPolarHBondContact O-CD 3.27Å
382F94.3Very high87.3Confident3 Ų341.1 Ų41.11%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-107102.6174.4-71.3-96.2000108.8T282 L283 V285 M317 F325 I334 P337 L354 V366 L380 A385T282-F382 WeakPolarHBondContact CA-O 3.02Å; L283-F382 HydrophobicContact CB-CB 4.25Å; L283-F382 PolarHBondContact N-O 3.42Å; L283-F382 PolarHBondContact O-N 2.73Å; V285-F382 HydrophobicContact CG2-CD2 4Å; V285-F382 HydrophobicContact CG2-CE2 3.58Å; M317-F382 HydrophobicContact CE-CZ 4.27Å; M317-F382 HydrophobicContact SD-CE2 3.9Å; M317-F382 HydrophobicContact SD-CZ 3.96Å; F325-F382 HydrophobicContact CE1-CB 4.38Å; F325-F382 AromaticContact CE1-CD1 3.66Å; F325-F382 HydrophobicContact CE1-CD1 3.66Å; F325-F382 HydrophobicContact CE1-CD2 4.21Å; F325-F382 AromaticContact CE1-CE1 3.83Å; F325-F382 HydrophobicContact CE1-CE1 3.83Å; F325-F382 HydrophobicContact CE1-CE2 4.39Å; F325-F382 AromaticContact CE1-CG 3.82Å; F325-F382 HydrophobicContact CE1-CG 3.82Å; F325-F382 HydrophobicContact CE1-CZ 4.18Å; F325-F382 AromaticContact CZ-CD1 4Å; F325-F382 HydrophobicContact CZ-CD1 4Å; F325-F382 AromaticContact CZ-CD2 3.72Å; F325-F382 HydrophobicContact CZ-CD2 3.72Å; F325-F382 AromaticContact CZ-CE1 4Å; F325-F382 HydrophobicContact CZ-CE1 4Å; F325-F382 AromaticContact CZ-CE2 3.76Å; F325-F382 HydrophobicContact CZ-CE2 3.76Å; F325-F382 AromaticContact CZ-CG 3.83Å; F325-F382 HydrophobicContact CZ-CG 3.83Å; F325-F382 AromaticContact CZ-CZ 3.86Å; F325-F382 HydrophobicContact CZ-CZ 3.86Å; I334-F382 HydrophobicContact CG2-CD1 3.84Å; I334-F382 HydrophobicContact CG2-CE1 3.99Å; P337-F382 HydrophobicContact CB-CD1 4.25Å; P337-F382 HydrophobicContact CB-CE1 3.79Å; P337-F382 HydrophobicContact CB-CE2 4.25Å; P337-F382 HydrophobicContact CB-CZ 3.81Å; P337-F382 HydrophobicContact CG-CE1 4.37Å; L354-F382 HydrophobicContact CD1-CE1 4.39Å; L354-F382 HydrophobicContact CD1-CZ 3.69Å; V366-F382 HydrophobicContact CG2-CE1 4.22Å; L380-F382 HydrophobicContact CB-CE2 4.04Å; F382-A385 WeakPolarHBondContact O-CB 3.28Å
383P91.9Very high85.4Confident42 Ų4243.7 Ų43.727%0.27324%0.238SC..THydrogen-bonded Turntrans-70.5170.7171.631.8-34.5000110.3A335 L381 A385A335-P383 HydrophobicContact CB-CG 4.18Å; A335-P383 WeakPolarHBondContact CB-O 3.28Å; L381-P383 WeakPolarHBondContact O-CD 3.27Å; P383-A385 PolarHBondContact O-N 3.12Å; P383-A385 VanDerWaalsContact O-N 3.17Å
384H90.9Very high83.4Confident101 Ų10143.7 Ų43.747%0.46824%0.241SC..THydrogen-bonded Turntrans60.821.8177.9-54.5-81.6000114.8S278 T279 F281 A335 G386S278-H384 CarbonylContact O-C 3.6Å; S278-H384 WeakPolarHBondContact O-CA 3.07Å; S278-H384 PolarHBondContact OG-O 2.82Å; T279-H384 VanDerWaalsContact CG2-ND1 3.26Å; T279-H384 WeakPolarHBondContact CG2-ND1 3.38Å; F281-H384 PolarHBondContact O-N 2.8Å; A335-H384 HydrophobicContact CB-CB 4.12Å; H384-G386 PolarHBondContact O-N 3.49Å; H384-G386 VanDerWaalsContact O-N 3.17Å
385A91.6Very high81.1Confident9 Ų949 Ų497%0.07426%0.264CS..THydrogen-bonded Turntrans-89.231.8-171.300000112.7F41 S278 F281 L283 F382 P383 T389F41-A385 HydrophobicContact CE1-CB 4.05Å; F41-A385 WeakPolarHBondContact CE1-O 3.24Å; S278-A385 PolarHBondContact O-N 2.88Å; F281-A385 PolarHBondContact O-N 3.02Å; L283-A385 HydrophobicContact CB-CB 3.76Å; F382-A385 WeakPolarHBondContact O-CB 3.28Å; P383-A385 PolarHBondContact O-N 3.12Å; P383-A385 VanDerWaalsContact O-N 3.17Å; A385-T389 HydrophobicContact CB-CG2 4.33Å; A385-T389 VanDerWaalsContact O-CB 3.3Å; A385-T389 WeakPolarHBondContact O-CB 3.37Å; A385-T389 WeakPolarHBondContact O-CG2 3.4Å; A385-T389 PolarHBondContact O-OG1 2.59Å
386G90.7Very high78.6Confident0 Ų049.3 Ų49.30%027%0.271CS..THydrogen-bonded Turntrans-102.5-12.5-175.600000115.8N71 V277 S278 H384N71-G386 WeakPolarHBondContact CB-O 3.28Å; N71-G386 PolarHBondContact ND2-O 3.32Å; V277-G386 VanDerWaalsContact CG2-O 3.28Å; V277-G386 WeakPolarHBondContact CG2-O 3.27Å; V277-G386 WeakPolarHBondContact O-CA 3.26Å; S278-G386 PolarHBondContact O-N 3.29Å; H384-G386 PolarHBondContact O-N 3.49Å; H384-G386 VanDerWaalsContact O-N 3.17Å
387A89.6Confident76.1Confident7 Ų750.9 Ų50.96%0.05828%0.283CS..SBendtrans-109.4122.2-176.700000110.6C70 S274 V277 T389C70-A387 VanDerWaalsContact SG-CB 3.53Å; S274-A387 WeakPolarHBondContact OG-CB 3.24Å; V277-A387 HydrophobicContact CG2-CB 4.33Å; A387-T389 PolarHBondContact O-N 2.79Å
388Y86.6Confident73.9Confident77 Ų7755.4 Ų55.430%0.30231%0.308SS..SBendtrans60.824.2178.2-46-73.5000114.5C70 S326C70-Y388 HydrophobicContact CB-CE1 4.01Å; C70-Y388 PolarHBondContact O-N 3.37Å; S326-Y388 PolarHBondContact OG-O 3.33Å
389T83.4Confident71.8Confident9 Ų962.9 Ų62.96%0.05535%0.348CS..  trans-107.2-36.4-178.852.30000112.4S324 A385 A387 G391S324-T389 WeakPolarHBondContact CA-O 3.33Å; S324-T389 VanDerWaalsContact O-CA 3.31Å; S324-T389 WeakPolarHBondContact O-CA 3.37Å; S324-T389 WeakPolarHBondContact O-CB 3.45Å; S324-T389 WeakPolarHBondContact O-CG2 3.42Å; A385-T389 HydrophobicContact CB-CG2 4.33Å; A385-T389 VanDerWaalsContact O-CB 3.3Å; A385-T389 WeakPolarHBondContact O-CB 3.37Å; A385-T389 WeakPolarHBondContact O-CG2 3.4Å; A385-T389 PolarHBondContact O-OG1 2.59Å; A387-T389 PolarHBondContact O-N 2.79Å; T389-G391 PolarHBondContact O-N 3.27Å
390L75.4Confident70Confident37 Ų3765.7 Ų65.719%0.19437%0.37CS..SBendtrans-80.860.1174.1-60.4-172.9000110.5F41 N71 F281 V405F41-L390 HydrophobicContact CD1-CD2 4.42Å; F41-L390 HydrophobicContact CD2-CD2 3.61Å; F41-L390 HydrophobicContact CE1-CD2 4.17Å; F41-L390 HydrophobicContact CE2-CD2 3.34Å; F41-L390 HydrophobicContact CG-CD2 4.15Å; F41-L390 HydrophobicContact CZ-CD2 3.64Å; N71-L390 WeakPolarHBondContact ND2-CD1 3.39Å; N71-L390 WeakPolarHBondContact OD1-CD1 3.49Å; F281-L390 HydrophobicContact CD1-CD1 4.19Å; F281-L390 HydrophobicContact CE1-CD1 3.65Å; F281-L390 HydrophobicContact CZ-CD1 4.27Å; L390-V405 HydrophobicContact CD1-CG2 4.13Å; L390-V405 HydrophobicContact CD2-CG2 4.09Å
391G58.2Low68.7Low35 Ų3571.1 Ų71.136%0.36140%0.403SS..PPolyproline II helixtrans-82.9150.1174.900000111.9T389T389-G391 PolarHBondContact O-N 3.27Å
392Q53Low67.9Low170 Ų17074.1 Ų74.179%0.79442%0.424SS*.PPolyproline II helixtrans-64.8134.7160.7-69.9-167.4-44.600107.9L394Q392-L394 PolarHBondContact O-N 2.93Å
393P50.3Low67.6Low71 Ų7174.8 Ų74.846%0.46143%0.428SS..PPolyproline II helixtrans-52.8128.6-177.815.9-27.6000110.4F395P393-F395 PolarHBondContact O-N 2.91Å; P393-F395 VanDerWaalsContact O-N 3.16Å
394L49.8Very low67.5Low107 Ų10775.5 Ų75.556%0.5643%0.433SS*.SBendtrans-68-12.8-175-72.3169.4000112.7L329 Q392L329-L394 HydrophobicContact CD1-CD1 4.33Å; Q392-L394 PolarHBondContact O-N 2.93Å
395F44.7Very low67.6Low115 Ų11572.4 Ų72.450%0.50442%0.421SS..SBendtrans-116.4149.7178.6-76.8-90.9000111.6Y322 P393Y322-F395 AromaticContact CD1-CD2 3.9Å; Y322-F395 HydrophobicContact CD1-CD2 3.9Å; Y322-F395 AromaticContact CD1-CE2 3.34Å; Y322-F395 HydrophobicContact CD1-CE2 3.34Å; Y322-F395 HydrophobicContact CD1-CZ 4.39Å; Y322-F395 AromaticContact CE1-CE2 3.58Å; Y322-F395 HydrophobicContact CE1-CE2 3.58Å; Y322-F395 HydrophobicContact CE1-CZ 4.24Å; Y322-F395 HydrophobicContact CG-CD2 4.09Å; Y322-F395 AromaticContact CG-CE2 3.9Å; Y322-F395 HydrophobicContact CG-CE2 3.9Å; P393-F395 PolarHBondContact O-N 2.91Å; P393-F395 VanDerWaalsContact O-N 3.16Å
396P39.7Very low67.7Low102 Ų10274.5 Ų74.566%0.66243%0.429SS*.SBendtrans-55.1156.7166.527.1-33.9000109.4T398P396-T398 PolarHBondContact O-N 2.99Å
397P40.5Very low67.8Low123 Ų12375.2 Ų75.280%0.79943%0.432SS*.  trans-62.598.7-165.428-34.3000109.9
398T44.5Very low68Low106 Ų10675 Ų7565%0.6543%0.43SS*.  trans-59.2151.3130.7500000106.2P396 S400P396-T398 PolarHBondContact O-N 2.99Å; T398-S400 PolarHBondContact O-N 3.11Å
399D49.8Very low68.3Low175 Ų17571.3 Ų71.394%0.93642%0.415SS*.SBendtrans-58.210.1-169.5-69-45.8000116.3T401D399-T401 PolarHBondContact O-N 3.15Å
400S55.8Low68.6Low70 Ų7072.3 Ų72.349%0.4942%0.423SS..  trans-87.7103.6177.9-167.20000111.3T398T398-S400 PolarHBondContact O-N 3.11Å
401T66.3Low69.1Low114 Ų11471.8 Ų71.870%0.69942%0.422SS*.PPolyproline II helixtrans-67.8145.7162.2500000109.8D399D399-T401 PolarHBondContact O-N 3.15Å
402P78.5Confident70.5Confident84 Ų8478.7 Ų78.755%0.54544%0.437SS..PPolyproline II helixtrans-55.8143.3175.924-33.3000110.7
403P87.9Confident72.1Confident16 Ų1671.2 Ų71.210%0.10440%0.403CS..PPolyproline II helixtrans-53132.9179.3-3037.5000112A39 F41 E319A39-P403 HydrophobicContact CB-CB 4.38Å; A39-P403 HydrophobicContact CB-CG 4.1Å; A39-P403 WeakPolarHBondContact O-CB 3.48Å; F41-P403 HydrophobicContact CD2-CB 3.81Å; F41-P403 HydrophobicContact CE2-CB 3.84Å; F41-P403 HydrophobicContact CE2-CG 4.15Å; E319-P403 HydrophobicContact CG-CG 3.95Å; E319-P403 WeakPolarHBondContact OE1-CD 3.48Å; E319-P403 WeakPolarHBondContact OE1-CG 3.38Å
404P90.3Very high73.7Confident58 Ų5869.9 Ų69.938%0.37739%0.389SS..PPolyproline II helixtrans-62.5150.7175.326.9-35000111A39 F40 F41A39-P404 WeakPolarHBondContact O-CD 3.48Å; F40-P404 HydrophobicContact CB-CG 4.01Å; F41-P404 PolarHBondContact N-O 2.87Å
405V92.3Very high75.2Confident36 Ų3668.3 Ų68.322%0.21838%0.383CS..EExtended strand (participates in β ladder)trans-111.6120178.1-173.50000109.4F41 A43 F281 L390 Y407F41-V405 HydrophobicContact CB-CB 4.33Å; F41-V405 HydrophobicContact CB-CG1 4.13Å; F41-V405 HydrophobicContact CB-CG2 4.1Å; F41-V405 HydrophobicContact CD2-CG2 4.29Å; F41-V405 HydrophobicContact CG-CG2 4.49Å; A43-V405 HydrophobicContact CB-CG1 3.85Å; F281-V405 HydrophobicContact CD1-CG1 4.3Å; F281-V405 HydrophobicContact CE1-CG1 3.8Å; L390-V405 HydrophobicContact CD1-CG2 4.13Å; L390-V405 HydrophobicContact CD2-CG2 4.09Å; V405-Y407 HydrophobicContact CB-CE1 4.42Å; V405-Y407 HydrophobicContact CB-CE2 4.25Å; V405-Y407 HydrophobicContact CG1-CD1 4.06Å; V405-Y407 HydrophobicContact CG1-CE1 3.5Å; V405-Y407 VanDerWaalsContact CG1-CE1 3.5Å; V405-Y407 HydrophobicContact CG1-CE2 4.09Å; V405-Y407 VanDerWaalsContact CG1-CZ 3.5Å
406H93.8Very high76.9Confident52 Ų5266.7 Ų66.724%0.24138%0.377CS..EExtended strand (participates in β ladder)trans-97.4110.9174.6-60.3-82.1000109.5H28 F40 F41 V42 A43H28-H406 AromaticContact CD2-CG 3.93Å; H28-H406 AromaticContact CE1-CE1 3.81Å; H28-H406 AromaticContact CE1-ND1 3.58Å; H28-H406 AromaticContact NE2-CG 3.61Å; H28-H406 AromaticContact NE2-ND1 3.57Å; F40-H406 AromaticContact CD2-CD2 3.9Å; F41-H406 PolarHBondContact O-CD2 3Å; F41-H406 PolarHBondContact O-N 3.01Å; V42-H406 WeakPolarHBondContact CA-O 3.44Å; A43-H406 PolarHBondContact N-O 2.8Å
407Y94.3Very high78.6Confident16 Ų1662 Ų626%0.06335%0.346CS..EExtended strand (participates in β ladder)trans-86.2135.7-179.9-58.9-75.1000111.1S13 A43 L45 S73 A75 V405S13-Y407 PolarHBondContact N-O 3.44Å; A43-Y407 HydrophobicContact CB-CD1 3.71Å; A43-Y407 HydrophobicContact CB-CE1 4.03Å; A43-Y407 WeakPolarHBondContact O-CA 3.42Å; L45-Y407 HydrophobicContact CD1-CD1 4.48Å; L45-Y407 HydrophobicContact CD2-CD1 3.87Å; L45-Y407 HydrophobicContact CD2-CE1 4.49Å; L45-Y407 HydrophobicContact CG-CD1 4.29Å; S73-Y407 PolarHBondContact OG-OH 3.25Å; A75-Y407 HydrophobicContact CB-CD1 3.88Å; A75-Y407 HydrophobicContact CB-CD2 4.26Å; A75-Y407 HydrophobicContact CB-CE1 3.55Å; A75-Y407 HydrophobicContact CB-CE2 3.96Å; A75-Y407 HydrophobicContact CB-CG 4.23Å; V405-Y407 HydrophobicContact CB-CE1 4.42Å; V405-Y407 HydrophobicContact CB-CE2 4.25Å; V405-Y407 HydrophobicContact CG1-CD1 4.06Å; V405-Y407 HydrophobicContact CG1-CE1 3.5Å; V405-Y407 VanDerWaalsContact CG1-CE1 3.5Å; V405-Y407 HydrophobicContact CG1-CE2 4.09Å; V405-Y407 VanDerWaalsContact CG1-CZ 3.5Å
408V93.9Very high80.1Confident1 Ų160.4 Ų60.41%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-130.8154.4174.9-530000110.6S13 L15 L21 V24 V42 A43 D44 L45S13-V408 VanDerWaalsContact O-CA 3.3Å; S13-V408 WeakPolarHBondContact O-CA 2.92Å; L15-V408 HydrophobicContact CD1-CB 4.04Å; L15-V408 HydrophobicContact CD1-CG2 4.1Å; L15-V408 HydrophobicContact CD2-CB 4.47Å; L15-V408 HydrophobicContact CG-CB 4.2Å; L21-V408 HydrophobicContact CD1-CG2 3.66Å; V24-V408 HydrophobicContact CG1-CG1 3.96Å; V24-V408 HydrophobicContact CG2-CG1 4.38Å; V42-V408 HydrophobicContact CG1-CG1 4.07Å; V42-V408 HydrophobicContact CG1-CG2 4.35Å; A43-V408 PolarHBondContact O-N 3.1Å; D44-V408 WeakPolarHBondContact CA-O 3.13Å; D44-V408 HydrophobicContact CB-CG2 4.04Å; L45-V408 PolarHBondContact N-O 3.33Å
409I91.5Very high81.3Confident1 Ų160.7 Ų60.71%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-146.3144.8166.7-165.2166.6000109V12 S13 L14 L15 L45 M49 D413 W414 M417 W435V12-I409 HydrophobicContact CG1-CB 4.41Å; V12-I409 HydrophobicContact CG1-CG2 4.11Å; S13-I409 PolarHBondContact O-N 2.79Å; L14-I409 WeakPolarHBondContact CA-O 3.5Å; L14-I409 HydrophobicContact CD1-CG2 3.79Å; L15-I409 PolarHBondContact N-O 2.63Å; L45-I409 HydrophobicContact CB-CD1 4.42Å; M49-I409 HydrophobicContact SD-CD1 3.88Å; I409-D413 HydrophobicContact CD1-CB 4.32Å; I409-D413 HydrophobicContact CG1-CB 3.96Å; I409-W414 HydrophobicContact CD1-CB 4.24Å; I409-W414 HydrophobicContact CD1-CE3 4.34Å; I409-W414 HydrophobicContact CG1-CB 4.45Å; I409-W414 HydrophobicContact CG2-CB 4.2Å; I409-M417 HydrophobicContact CD1-CE 4.36Å; I409-W435 HydrophobicContact CG2-CE3 4.23Å; I409-W435 HydrophobicContact CG2-CH2 4.46Å; I409-W435 HydrophobicContact CG2-CZ3 3.53Å
410S90.6Very high81.9Confident30 Ų3055.7 Ų55.721%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-74.8148171.482.90000111R412 D413 W414S410-R412 PolarHBondContact O-N 3.16Å; S410-R412 VanDerWaalsContact O-N 3.16Å; S410-D413 WeakPolarHBondContact CB-OD2 3.27Å; S410-D413 PolarHBondContact O-N 3.19Å; S410-D413 VanDerWaalsContact O-N 3.16Å; S410-D413 PolarHBondContact OG-N 2.81Å; S410-D413 PolarHBondContact OG-OD2 2.88Å; S410-W414 WeakPolarHBondContact O-CB 3.4Å; S410-W414 PolarHBondContact O-N 2.74Å
411S86.6Confident81.8Confident26 Ų2652.8 Ų52.818%0.18229%0.288CS..Hα-helixtrans-58.6-29175.4-65.50000113.3L14 L15 D16 V415L14-S411 VanDerWaalsContact CG-OG 3.28Å; L14-S411 WeakPolarHBondContact CG-OG 3.35Å; L15-S411 PolarHBondContact O-N 2.82Å; L15-S411 PolarHBondContact O-OG 2.94Å; D16-S411 VanDerWaalsContact OD1-CB 3.27Å; D16-S411 WeakPolarHBondContact OD1-CB 3.04Å; D16-S411 PolarHBondContact OD1-OG 2.78Å; S411-V415 VanDerWaalsContact O-CG2 3.31Å; S411-V415 WeakPolarHBondContact O-CG2 3.18Å; S411-V415 PolarHBondContact O-N 2.98Å; S411-V415 VanDerWaalsContact O-N 3.16Å
412R86.4Confident80.7Confident180 Ų18051.1 Ų51.168%0.67929%0.286SS*.Hα-helixtrans-67.9-52.8174.5180-177.8169.1-171.9-5.5111.3S410 W414 V415 E416S410-R412 PolarHBondContact O-N 3.16Å; S410-R412 VanDerWaalsContact O-N 3.16Å; R412-W414 PolarHBondContact O-N 3.47Å; R412-V415 PolarHBondContact O-N 2.52Å; R412-E416 IonicContact CZ-OE1 2.72Å; R412-E416 IonicContact NE-OE1 3.25Å; R412-E416 PolarHBondContact NE-OE1 2.93Å; R412-E416 IonicContact NH2-OE1 3.15Å; R412-E416 PolarHBondContact NH2-OE1 3.05Å; R412-E416 WeakPolarHBondContact O-CG 3.26Å; R412-E416 PolarHBondContact O-N 3.32Å
413D86.5Confident79.2Confident13 Ų1350.7 Ų50.77%0.0730%0.297CS..Hα-helixtrans-62.7-37.8179.9-60.3-54.3000110.3M49 R50 I409 S410 V415 E416 M417M49-D413 WeakPolarHBondContact CE-O 3.14Å; M49-D413 HydrophobicContact SD-CB 4.34Å; R50-D413 IonicContact CZ-OD2 3.17Å; R50-D413 IonicContact NH1-OD1 2.64Å; R50-D413 PolarHBondContact NH1-OD1 3.21Å; R50-D413 IonicContact NH1-OD2 2.87Å; R50-D413 PolarHBondContact NH1-OD2 2.9Å; I409-D413 HydrophobicContact CD1-CB 4.32Å; I409-D413 HydrophobicContact CG1-CB 3.96Å; S410-D413 WeakPolarHBondContact CB-OD2 3.27Å; S410-D413 PolarHBondContact O-N 3.19Å; S410-D413 VanDerWaalsContact O-N 3.16Å; S410-D413 PolarHBondContact OG-N 2.81Å; S410-D413 PolarHBondContact OG-OD2 2.88Å; D413-V415 PolarHBondContact O-N 3.05Å; D413-E416 CarbonylContact O-C 3.57Å; D413-E416 PolarHBondContact O-N 3.32Å; D413-M417 PolarHBondContact O-N 3.24Å
414W83.4Confident77.1Confident43 Ų4354.7 Ų54.716%0.16332%0.32CS..Hα-helixtrans-59-46.1176175-117.8000112.9L14 I409 S410 R412 M417 Q418 M430 W435L14-W414 HydrophobicContact CD1-CB 3.86Å; L14-W414 HydrophobicContact CD1-CG 3.99Å; I409-W414 HydrophobicContact CD1-CB 4.24Å; I409-W414 HydrophobicContact CD1-CE3 4.34Å; I409-W414 HydrophobicContact CG1-CB 4.45Å; I409-W414 HydrophobicContact CG2-CB 4.2Å; S410-W414 WeakPolarHBondContact O-CB 3.4Å; S410-W414 PolarHBondContact O-N 2.74Å; R412-W414 PolarHBondContact O-N 3.47Å; W414-M417 HydrophobicContact CE3-CE 3.29Å; W414-M417 HydrophobicContact CH2-CE 4.3Å; W414-M417 HydrophobicContact CZ3-CE 3.09Å; W414-M417 WeakPolarHBondContact O-CB 3.47Å; W414-M417 PolarHBondContact O-N 2.81Å; W414-Q418 HydrophobicContact CZ2-CG 4.41Å; W414-Q418 PolarHBondContact O-N 2.88Å; W414-M430 HydrophobicContact CH2-SD 4.24Å; W414-M430 HydrophobicContact CZ3-SD 3.95Å; W414-W435 HydrophobicContact CD2-CE3 4.45Å; W414-W435 HydrophobicContact CD2-CH2 4.33Å; W414-W435 HydrophobicContact CD2-CZ3 4.29Å; W414-W435 HydrophobicContact CE3-CD2 4.49Å; W414-W435 HydrophobicContact CE3-CE3 4.27Å; W414-W435 AromaticContact CE3-CH2 3.41Å; W414-W435 HydrophobicContact CE3-CH2 3.41Å; W414-W435 VanDerWaalsContact CE3-CH2 3.41Å; W414-W435 AromaticContact CE3-CZ2 3.67Å; W414-W435 HydrophobicContact CE3-CZ2 3.67Å; W414-W435 AromaticContact CE3-CZ3 3.74Å; W414-W435 HydrophobicContact CE3-CZ3 3.74Å; W414-W435 HydrophobicContact CH2-CD2 4.05Å; W414-W435 AromaticContact CH2-CE2 3.26Å; W414-W435 AromaticContact CH2-CH2 3.89Å; W414-W435 HydrophobicContact CH2-CH2 3.89Å; W414-W435 AromaticContact CH2-CZ2 3.2Å; W414-W435 HydrophobicContact CH2-CZ2 3.2Å; W414-W435 AromaticContact CH2-NE1 3.5Å; W414-W435 HydrophobicContact CZ2-CD2 4.1Å; W414-W435 AromaticContact CZ2-CE2 3.73Å; W414-W435 HydrophobicContact CZ2-CG 4.5Å; W414-W435 HydrophobicContact CZ2-CZ2 4.07Å; W414-W435 AromaticContact CZ2-NE1 3.82Å; W414-W435 HydrophobicContact CZ3-CD2 4.23Å; W414-W435 AromaticContact CZ3-CE2 3.49Å; W414-W435 VanDerWaalsContact CZ3-CE2 3.49Å; W414-W435 HydrophobicContact CZ3-CE3 4.39Å; W414-W435 AromaticContact CZ3-CH2 3.16Å; W414-W435 HydrophobicContact CZ3-CH2 3.16Å; W414-W435 AromaticContact CZ3-CZ2 2.93Å; W414-W435 HydrophobicContact CZ3-CZ2 2.93Å; W414-W435 AromaticContact CZ3-CZ3 3.91Å; W414-W435 HydrophobicContact CZ3-CZ3 3.91Å
415V82.5Confident74.7Confident74 Ų7455.7 Ų55.745%0.44833%0.326SS..Hα-helixtrans-64.6-45.2175.5172.10000110.8S411 R412 D413 M417 Q418 D419S411-V415 VanDerWaalsContact O-CG2 3.31Å; S411-V415 WeakPolarHBondContact O-CG2 3.18Å; S411-V415 PolarHBondContact O-N 2.98Å; S411-V415 VanDerWaalsContact O-N 3.16Å; R412-V415 PolarHBondContact O-N 2.52Å; D413-V415 PolarHBondContact O-N 3.05Å; V415-M417 PolarHBondContact O-N 2.84Å; V415-Q418 PolarHBondContact O-N 3.05Å; V415-Q418 VanDerWaalsContact O-N 3.17Å; V415-D419 PolarHBondContact O-N 2.96Å
416E79.9Confident72.2Confident80 Ų8057.3 Ų57.337%0.37434%0.338SS..Hα-helixtrans-59.4-29.5175.5-71.3-178.7-163.900111.5R412 D413 A420R412-E416 IonicContact CZ-OE1 2.72Å; R412-E416 IonicContact NE-OE1 3.25Å; R412-E416 PolarHBondContact NE-OE1 2.93Å; R412-E416 IonicContact NH2-OE1 3.15Å; R412-E416 PolarHBondContact NH2-OE1 3.05Å; R412-E416 WeakPolarHBondContact O-CG 3.26Å; R412-E416 PolarHBondContact O-N 3.32Å; D413-E416 CarbonylContact O-C 3.57Å; D413-E416 PolarHBondContact O-N 3.32Å; E416-A420 VanDerWaalsContact O-CB 3.23Å; E416-A420 WeakPolarHBondContact O-CB 3.4Å; E416-A420 PolarHBondContact O-N 3.39Å
417M75.3Confident69.9Low3 Ų364.1 Ų64.12%0.01537%0.37CS..Hα-helixtrans-69-46.7177.1-156.7163.553.900111.2M49 V79 I409 D413 W414 V415 D419 A420 D421 M430M49-M417 HydrophobicContact CE-CB 3.19Å; M49-M417 HydrophobicContact CE-CG 3.5Å; M49-M417 VanDerWaalsContact CE-N 3.34Å; M49-M417 HydrophobicContact CE-SD 4.16Å; M49-M417 HydrophobicContact CG-CG 4.29Å; M49-M417 HydrophobicContact CG-SD 3.82Å; M49-M417 HydrophobicContact SD-CB 3.52Å; M49-M417 VanDerWaalsContact SD-CB 3.52Å; M49-M417 HydrophobicContact SD-CE 4.43Å; M49-M417 HydrophobicContact SD-CG 3.57Å; M49-M417 VanDerWaalsContact SD-CG 3.57Å; M49-M417 HydrophobicContact SD-SD 3.37Å; V79-M417 HydrophobicContact CG1-SD 4.28Å; I409-M417 HydrophobicContact CD1-CE 4.36Å; D413-M417 PolarHBondContact O-N 3.24Å; W414-M417 HydrophobicContact CE3-CE 3.29Å; W414-M417 HydrophobicContact CH2-CE 4.3Å; W414-M417 HydrophobicContact CZ3-CE 3.09Å; W414-M417 WeakPolarHBondContact O-CB 3.47Å; W414-M417 PolarHBondContact O-N 2.81Å; V415-M417 PolarHBondContact O-N 2.84Å; M417-D419 VanDerWaalsContact C-N 3.28Å; M417-D419 PolarHBondContact O-N 3.42Å; M417-A420 PolarHBondContact O-N 3.03Å; M417-D421 WeakPolarHBondContact O-CB 3.33Å; M417-D421 PolarHBondContact O-N 3.43Å; M417-M430 HydrophobicContact CE-CE 3.22Å; M417-M430 HydrophobicContact CE-SD 3.48Å; M417-M430 WeakPolarHBondContact CE-SD 3.23Å; M417-M430 HydrophobicContact CG-CE 4.07Å; M417-M430 HydrophobicContact SD-CE 3.35Å; M417-M430 WeakPolarHBondContact SD-CE 3.44Å; M417-M430 HydrophobicContact SD-SD 4.41Å
418Q72.1Confident67.8Low90 Ų9067 Ų6742%0.42139%0.39SS..Hα-helixtrans-62.8-38.8177.6-66-177.612.500111.3W414 V415 D421 A422W414-Q418 HydrophobicContact CZ2-CG 4.41Å; W414-Q418 PolarHBondContact O-N 2.88Å; V415-Q418 PolarHBondContact O-N 3.05Å; V415-Q418 VanDerWaalsContact O-N 3.17Å; Q418-D421 CarbonylContact O-C 3.59Å; Q418-D421 PolarHBondContact O-N 2.87Å; Q418-A422 PolarHBondContact O-N 2.81Å
419D69.4Low65.9Low112 Ų11269.3 Ų69.360%0.59940%0.404SS*.Hα-helixtrans-72.1-41.8179.2-75.3-17.6000112.3V415 M417 D421 A422V415-D419 PolarHBondContact O-N 2.96Å; M417-D419 VanDerWaalsContact C-N 3.28Å; M417-D419 PolarHBondContact O-N 3.42Å; D419-D421 PolarHBondContact O-N 3.05Å; D419-A422 VanDerWaalsContact O-CB 3.26Å; D419-A422 WeakPolarHBondContact O-CB 3.29Å; D419-A422 PolarHBondContact O-N 3.13Å
420A61.8Low64.8Low70 Ų7070.9 Ų70.958%0.57941%0.412SS*.Hα-helixtrans-61.4-28.4172.300000111.7E416 M417E416-A420 VanDerWaalsContact O-CB 3.23Å; E416-A420 WeakPolarHBondContact O-CB 3.4Å; E416-A420 PolarHBondContact O-N 3.39Å; M417-A420 PolarHBondContact O-N 3.03Å
421D54.2Low63.8Low10 Ų1074.9 Ų74.95%0.05343%0.425CS..THydrogen-bonded Turntrans-91.33.4177.1-159.910.9000112.7M417 Q418 D419 G423 V424 T425M417-D421 WeakPolarHBondContact O-CB 3.33Å; M417-D421 PolarHBondContact O-N 3.43Å; Q418-D421 CarbonylContact O-C 3.59Å; Q418-D421 PolarHBondContact O-N 2.87Å; D419-D421 PolarHBondContact O-N 3.05Å; D421-G423 PolarHBondContact O-N 3.22Å; D421-V424 CarbonylContact O-C 3.58Å; D421-V424 PolarHBondContact O-N 3.19Å; D421-V424 WeakPolarHBondContact OD1-CB 3.47Å; D421-T425 HydrophobicContact CB-CG2 3.68Å; D421-T425 WeakPolarHBondContact O-CB 3.41Å; D421-T425 PolarHBondContact O-N 2.83Å; D421-T425 PolarHBondContact O-OG1 3.2Å; D421-T425 PolarHBondContact OD1-N 3.1Å; D421-T425 WeakPolarHBondContact OD2-CG2 3.47Å
422A44.6Very low63.3Low79 Ų7975.1 Ų75.165%0.65342%0.424SS*.THydrogen-bonded Turntrans-67.61.7176.300000114.2Q418 D419Q418-A422 PolarHBondContact O-N 2.81Å; D419-A422 VanDerWaalsContact O-CB 3.26Å; D419-A422 WeakPolarHBondContact O-CB 3.29Å; D419-A422 PolarHBondContact O-N 3.13Å
423G45.7Very low62.9Low75 Ų7567.1 Ų67.177%0.77340%0.395SS*.THydrogen-bonded Turntrans-104.3-11165.600000115.3D421D421-G423 PolarHBondContact O-N 3.22Å
424V43.4Very low62.4Low99 Ų9968.1 Ų68.160%0.640%0.403SS*.THydrogen-bonded Turntrans-142-8.4-168-176.30000114.6D421 S426D421-V424 CarbonylContact O-C 3.58Å; D421-V424 PolarHBondContact O-N 3.19Å; D421-V424 WeakPolarHBondContact OD1-CB 3.47Å; V424-S426 PolarHBondContact O-N 3.01Å
425T40.4Very low62.1Low80 Ų8069.7 Ų69.749%0.49141%0.409SS..  trans-66.488.5172.233.90000110.6D421D421-T425 HydrophobicContact CB-CG2 3.68Å; D421-T425 WeakPolarHBondContact O-CB 3.41Å; D421-T425 PolarHBondContact O-N 2.83Å; D421-T425 PolarHBondContact O-OG1 3.2Å; D421-T425 PolarHBondContact OD1-N 3.1Å; D421-T425 WeakPolarHBondContact OD2-CG2 3.47Å
426S40.8Very low61.9Low69 Ų6970.1 Ų70.148%0.48341%0.408SS..  trans-78.3143133.7169.40000106V424 T428 T429V424-S426 PolarHBondContact O-N 3.01Å; S426-T428 WeakPolarHBondContact CB-OG1 3.47Å; S426-T428 PolarHBondContact O-N 3.05Å; S426-T428 PolarHBondContact OG-OG1 2.95Å; S426-T429 PolarHBondContact O-OG1 2.81Å
427E44.8Very low61.7Low195 Ų19569.2 Ų69.291%0.91141%0.409SS*.THydrogen-bonded Turntrans-53.310.3172.7-67.7175145.800114.2
428T49.4Very low61.6Low76 Ų7670.2 Ų70.247%0.46641%0.413SS..THydrogen-bonded Turntrans-96.2-15.8-171.843.50000116.2S426 K431S426-T428 WeakPolarHBondContact CB-OG1 3.47Å; S426-T428 PolarHBondContact O-N 3.05Å; S426-T428 PolarHBondContact OG-OG1 2.95Å; T428-K431 VanDerWaalsContact O-CE 3.3Å; T428-K431 WeakPolarHBondContact O-CE 3.3Å
429T55Low61.2Low50 Ų5072.9 Ų72.931%0.30742%0.423SS..SBendtrans-92-17.6-171.935.50000115.1E78 S426E78-T429 WeakPolarHBondContact CG-O 3.26Å; S426-T429 PolarHBondContact O-OG1 2.81Å
430M68.3Low60.2Low34 Ų3473 Ų7317%0.16742%0.423CS..SBendtrans-12546.1-179.3-73.3-170-177.400112.7E78 A82 W414 M417 F433E78-M430 WeakPolarHBondContact OE1-CA 3.47Å; A82-M430 HydrophobicContact CB-CE 3.54Å; A82-M430 HydrophobicContact CB-CG 4.35Å; W414-M430 HydrophobicContact CH2-SD 4.24Å; W414-M430 HydrophobicContact CZ3-SD 3.95Å; M417-M430 HydrophobicContact CE-CE 3.22Å; M417-M430 HydrophobicContact CE-SD 3.48Å; M417-M430 WeakPolarHBondContact CE-SD 3.23Å; M417-M430 HydrophobicContact CG-CE 4.07Å; M417-M430 HydrophobicContact SD-CE 3.35Å; M417-M430 WeakPolarHBondContact SD-CE 3.44Å; M417-M430 HydrophobicContact SD-SD 4.41Å; M430-F433 HydrophobicContact CB-CD2 4.02Å; M430-F433 HydrophobicContact CG-CD2 4.11Å; M430-F433 HydrophobicContact CG-CE2 4.27Å; M430-F433 HydrophobicContact SD-CD2 4.39Å
431K69.1Low59.3Low114 Ų11472.5 Ų72.550%0.49642%0.424SS..THydrogen-bonded Turntrans-76.9-22.2-172.7-66.6-176.8-171.6179.80113.6E78 T428E78-K431 PolarHBondContact OE1-N 2.71Å; T428-K431 VanDerWaalsContact O-CE 3.3Å; T428-K431 WeakPolarHBondContact O-CE 3.3Å
432N76.5Confident58.4Low31 Ų3177 Ų7717%0.16646%0.456CS..THydrogen-bonded Turntrans-94.60-172.5-48.1-50.1000113.2P8 Q9 Y10 E78P8-N432 CarbonylContact C-O 3.16Å; P8-N432 WeakPolarHBondContact CA-O 3.17Å; P8-N432 WeakPolarHBondContact CB-O 3.26Å; Q9-N432 HydrophobicContact CB-CB 4.08Å; Q9-N432 PolarHBondContact N-O 2.89Å; Y10-N432 PolarHBondContact N-O 2.87Å; E78-N432 PolarHBondContact OE1-N 2.97Å; E78-N432 VanDerWaalsContact OE2-CB 3.25Å; E78-N432 WeakPolarHBondContact OE2-CB 3.39Å; E78-N432 PolarHBondContact OE2-ND2 2.93Å
433F77.4Confident58.1Low13 Ų1379.3 Ų79.36%0.05747%0.467CS..EExtended strand (participates in β ladder)trans-87.7126.3177.9-69.6-54.7000112.6V12 L45 A75 E78 V79 M430 W435V12-F433 HydrophobicContact CG2-CD1 3.34Å; V12-F433 HydrophobicContact CG2-CE1 3.75Å; V12-F433 HydrophobicContact CG2-CG 4.18Å; L45-F433 HydrophobicContact CD1-CE1 4.33Å; L45-F433 HydrophobicContact CD1-CZ 4.44Å; A75-F433 HydrophobicContact CB-CE1 3.7Å; A75-F433 HydrophobicContact CB-CZ 4.03Å; E78-F433 HydrophobicContact CB-CE2 3.99Å; E78-F433 HydrophobicContact CB-CZ 4.03Å; E78-F433 HydrophobicContact CG-CD2 4.4Å; E78-F433 HydrophobicContact CG-CE2 3.75Å; E78-F433 HydrophobicContact CG-CZ 4.28Å; V79-F433 HydrophobicContact CG2-CE2 4.04Å; V79-F433 HydrophobicContact CG2-CZ 3.87Å; M430-F433 HydrophobicContact CB-CD2 4.02Å; M430-F433 HydrophobicContact CG-CD2 4.11Å; M430-F433 HydrophobicContact CG-CE2 4.27Å; M430-F433 HydrophobicContact SD-CD2 4.39Å; F433-W435 HydrophobicContact CB-CH2 4.45Å; F433-W435 HydrophobicContact CB-CZ2 3.6Å; F433-W435 HydrophobicContact CD2-CH2 4.44Å; F433-W435 AromaticContact CD2-CZ2 3.84Å; F433-W435 HydrophobicContact CD2-CZ2 3.84Å; F433-W435 HydrophobicContact CG-CH2 4.35Å; F433-W435 AromaticContact CG-CZ2 3.8Å; F433-W435 HydrophobicContact CG-CZ2 3.8Å
434S76.6Confident57.4Low34 Ų3484.1 Ų84.124%0.23847%0.469CS..EExtended strand (participates in β ladder)trans-98.9115.7161.847.30000109.9Y10 S11 V12Y10-S434 PolarHBondContact O-N 2.95Å; Y10-S434 PolarHBondContact O-OG 2.9Å; S11-S434 WeakPolarHBondContact CA-O 3.44Å; S11-S434 VanDerWaalsContact CA-OG 3.26Å; S11-S434 WeakPolarHBondContact CA-OG 3.4Å; V12-S434 PolarHBondContact N-O 2.85Å
435W77Confident56.8Low76 Ų7685.7 Ų85.729%0.28848%0.479SS..EExtended strand (participates in β ladder)trans-87.2118.3179.9-58.197.6000110.2V12 I409 W414 F433V12-W435 HydrophobicContact CB-CE3 3.87Å; V12-W435 HydrophobicContact CB-CH2 4.27Å; V12-W435 HydrophobicContact CB-CZ3 3.64Å; V12-W435 HydrophobicContact CG1-CE3 4.03Å; V12-W435 HydrophobicContact CG1-CH2 4.19Å; V12-W435 HydrophobicContact CG1-CZ3 3.44Å; V12-W435 VanDerWaalsContact CG1-CZ3 3.44Å; V12-W435 HydrophobicContact CG2-CH2 4.38Å; V12-W435 HydrophobicContact CG2-CZ3 4.24Å; I409-W435 HydrophobicContact CG2-CE3 4.23Å; I409-W435 HydrophobicContact CG2-CH2 4.46Å; I409-W435 HydrophobicContact CG2-CZ3 3.53Å; W414-W435 HydrophobicContact CD2-CE3 4.45Å; W414-W435 HydrophobicContact CD2-CH2 4.33Å; W414-W435 HydrophobicContact CD2-CZ3 4.29Å; W414-W435 HydrophobicContact CE3-CD2 4.49Å; W414-W435 HydrophobicContact CE3-CE3 4.27Å; W414-W435 AromaticContact CE3-CH2 3.41Å; W414-W435 HydrophobicContact CE3-CH2 3.41Å; W414-W435 VanDerWaalsContact CE3-CH2 3.41Å; W414-W435 AromaticContact CE3-CZ2 3.67Å; W414-W435 HydrophobicContact CE3-CZ2 3.67Å; W414-W435 AromaticContact CE3-CZ3 3.74Å; W414-W435 HydrophobicContact CE3-CZ3 3.74Å; W414-W435 HydrophobicContact CH2-CD2 4.05Å; W414-W435 AromaticContact CH2-CE2 3.26Å; W414-W435 AromaticContact CH2-CH2 3.89Å; W414-W435 HydrophobicContact CH2-CH2 3.89Å; W414-W435 AromaticContact CH2-CZ2 3.2Å; W414-W435 HydrophobicContact CH2-CZ2 3.2Å; W414-W435 AromaticContact CH2-NE1 3.5Å; W414-W435 HydrophobicContact CZ2-CD2 4.1Å; W414-W435 AromaticContact CZ2-CE2 3.73Å; W414-W435 HydrophobicContact CZ2-CG 4.5Å; W414-W435 HydrophobicContact CZ2-CZ2 4.07Å; W414-W435 AromaticContact CZ2-NE1 3.82Å; W414-W435 HydrophobicContact CZ3-CD2 4.23Å; W414-W435 AromaticContact CZ3-CE2 3.49Å; W414-W435 VanDerWaalsContact CZ3-CE2 3.49Å; W414-W435 HydrophobicContact CZ3-CE3 4.39Å; W414-W435 AromaticContact CZ3-CH2 3.16Å; W414-W435 HydrophobicContact CZ3-CH2 3.16Å; W414-W435 AromaticContact CZ3-CZ2 2.93Å; W414-W435 HydrophobicContact CZ3-CZ2 2.93Å; W414-W435 AromaticContact CZ3-CZ3 3.91Å; W414-W435 HydrophobicContact CZ3-CZ3 3.91Å; F433-W435 HydrophobicContact CB-CH2 4.45Å; F433-W435 HydrophobicContact CB-CZ2 3.6Å; F433-W435 HydrophobicContact CD2-CH2 4.44Å; F433-W435 AromaticContact CD2-CZ2 3.84Å; F433-W435 HydrophobicContact CD2-CZ2 3.84Å; F433-W435 HydrophobicContact CG-CH2 4.35Å; F433-W435 AromaticContact CG-CZ2 3.8Å; F433-W435 HydrophobicContact CG-CZ2 3.8Å
436I78.9Confident56.3Low83 Ų8391.8 Ų91.843%0.42650%0.502SS..EExtended strand (participates in β ladder)trans-116118-179.6-53.4179.4000107.9V12 S13 L14 Y438V12-I436 PolarHBondContact O-N 2.96Å; S13-I436 CarbonylContact C-O 3.43Å; S13-I436 WeakPolarHBondContact CA-O 3.48Å; L14-I436 PolarHBondContact N-O 2.78Å; I436-Y438 PolarHBondContact O-N 3.24Å
437P75.4Confident55.8Low61 Ų6192.7 Ų92.740%0.39651%0.513SS..EExtended strand (participates in β ladder)trans-59.2126.8172.7-20.331.4000110.1F439P437-F439 HydrophobicContact CB-CD2 4.21Å; P437-F439 HydrophobicContact CB-CE2 3.53Å; P437-F439 HydrophobicContact CB-CZ 3.75Å; P437-F439 HydrophobicContact CG-CE2 4.27Å; P437-F439 WeakPolarHBondContact O-CD2 2.98Å; P437-F439 PolarHBondContact O-N 2.82Å
438Y72.4Confident55.1Low24 Ų2487.9 Ų87.99%0.09451%0.507CS..  trans-80.7112.6178.8-169.4-99.2000109.6L14 L15 T19 V24 H27 I436 L440L14-Y438 WeakPolarHBondContact O-CB 3.5Å; L14-Y438 PolarHBondContact O-N 2.8Å; L15-Y438 HydrophobicContact CD2-CD1 3.8Å; L15-Y438 HydrophobicContact CD2-CD2 4.34Å; L15-Y438 HydrophobicContact CD2-CG 3.7Å; T19-Y438 HydrophobicContact CG2-CD1 4Å; T19-Y438 HydrophobicContact CG2-CE1 3.95Å; V24-Y438 HydrophobicContact CG1-CE2 4.28Å; V24-Y438 HydrophobicContact CG2-CE1 4.04Å; V24-Y438 HydrophobicContact CG2-CE2 4.31Å; H27-Y438 VanDerWaalsContact CB-OH 3.26Å; H27-Y438 WeakPolarHBondContact CB-OH 3.44Å; H27-Y438 PolarHBondContact CD2-OH 3.49Å; I436-Y438 PolarHBondContact O-N 3.24Å; Y438-L440 HydrophobicContact CE1-CD1 4.4Å; Y438-L440 HydrophobicContact CE1-CG 4.1Å
439F64.1Low54.2Low146 Ų14692.9 Ų92.964%0.6453%0.53SS*.  trans-113.2122.9173.9-62.4-70.9000109.2P437 G441P437-F439 HydrophobicContact CB-CD2 4.21Å; P437-F439 HydrophobicContact CB-CE2 3.53Å; P437-F439 HydrophobicContact CB-CZ 3.75Å; P437-F439 HydrophobicContact CG-CE2 4.27Å; P437-F439 WeakPolarHBondContact O-CD2 2.98Å; P437-F439 PolarHBondContact O-N 2.82Å; F439-G441 PolarHBondContact O-N 2.72Å
440L48.8Very low53Low114 Ų11495.7 Ų95.760%0.59755%0.552SS**THydrogen-bonded Turntrans-65.128.4175.5-102.8140.6000114.1T19 Y438T19-L440 HydrophobicContact CG2-CD1 3.92Å; Y438-L440 HydrophobicContact CE1-CD1 4.4Å; Y438-L440 HydrophobicContact CE1-CG 4.1Å
441G43.1Very low51.1Low59 Ų59100.3 Ų100.361%0.60858%0.582SS**THydrogen-bonded Turntrans-153.120.8-164.900000118F439 C443F439-G441 PolarHBondContact O-N 2.72Å; G441-C443 VanDerWaalsContact C-N 3.25Å; G441-C443 PolarHBondContact O-N 3.19Å; G441-C443 VanDerWaalsContact O-N 3.08Å
442S35.1Very low49.5Very low104 Ų104100.5 Ų100.573%0.72760%0.595SS**  trans-86.264172.859.20000112.7
443C38.2Very low47.7Very low129 Ų129107.4 Ų107.487%0.87266%0.656SS**  trans-11471.2154.6-134.60000108.2G441G441-C443 VanDerWaalsContact C-N 3.25Å; G441-C443 PolarHBondContact O-N 3.19Å; G441-C443 VanDerWaalsContact O-N 3.08Å
444Q29.9Very low46.2Very low176 Ų176112.2 Ų112.282%0.82269%0.686SS**  trans-141.289.7162.9-72.1-164.20.100110.3
445T31.7Very low44.6Very low132 Ų132116.3 Ų116.381%0.8171%0.71SS**  trans27.5102.4141.334.90000118.2A447T445-A447 PolarHBondContact O-N 2.76Å
446E30.2Very low42.8Very low207 Ų207118.5 Ų118.597%0.96773%0.733SS**  trans-77.296.3147.7-82.6-166.6150.300109.3
447A29.3Very low40.7Very low88 Ų88120.6 Ų120.673%0.72775%0.751SS**  trans-149.486.2158.700000110.8T445T445-A447 PolarHBondContact O-N 2.76Å
448A31.4Very low38.5Very low94 Ų94124.3 Ų124.378%0.77777%0.773SS**  trans4698.5147.500000119.5S450A448-S450 PolarHBondContact O-N 2.91Å
449L30.3Very low36.3Very low181 Ų181131 Ų13195%0.94882%0.819SS**  trans-68.6101.8147.5-82.1159.9000109
450S29.6Very low34.3Very low109 Ų109129.9 Ų129.976%0.76283%0.831SS**PPolyproline II helixtrans-92.4118.5162.646.90000108.9A448A448-S450 PolarHBondContact O-N 2.91Å
451V28.3Very low33.2Very low132 Ų132131.2 Ų131.280%0.885%0.849SS**PPolyproline II helixtrans-85.6127.4171.9-179.40000107.8
452P35.4Very low32.3Very low118 Ų118137.2 Ų137.277%0.76687%0.869SS**PPolyproline II helixtrans-81.9141.7174.732-30.4000110.9
453A38.7Very low32.1Very low176 Ų176140.2 Ų140.2100%1.45588%0.882SS**  trans-86.90165.300000111.1

Retrieved 453 of 453 residues in 307 ms (Link to these results)

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