A0A3Q0KL57_SCHMA Loading...

ATP-dependent RNA helicase

RNA helicase.

AlphaFold DB , UniProt , Accession A0A3Q0KL57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 760 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
1M37.3Very low49.9Very low244 Ų244113.4 Ų113.4100%1.20261%0.605SS**  089.20-73.9-179.5154.500108.4R3M1-R3 PolarHBondContact O-N 3.12Å
2T36Very low52.2Low135 Ų135108.6 Ų108.683%0.82858%0.579SS**  trans-68.4113169.339.80000106.9D4T2-D4 PolarHBondContact O-N 3.34Å
3R37.1Very low54.3Low246 Ų246109.2 Ų109.293%0.92858%0.577SS**  trans-45.9112.6169.1-109.3175.1169.8168.8-3107.3M1 S5M1-R3 PolarHBondContact O-N 3.12Å; R3-S5 PolarHBondContact O-N 3.01Å; R3-S5 VanDerWaalsContact O-N 3.12Å
4D42.1Very low56.3Low152 Ų152113.1 Ų113.181%0.81358%0.58SS**PPolyproline II helixtrans-49.3122.7173.1-76.9-41.2000107.8T2 N6T2-D4 PolarHBondContact O-N 3.34Å; D4-N6 PolarHBondContact O-N 2.94Å
5S42.1Very low58.2Low91 Ų91105.7 Ų105.764%0.63654%0.542SS*.PPolyproline II helixtrans-48.1125.6173.941.60000108.4R3 P7R3-S5 PolarHBondContact O-N 3.01Å; R3-S5 VanDerWaalsContact O-N 3.12Å; S5-P7 WeakPolarHBondContact O-CD 3.3Å
6N48.4Very low59.7Low96 Ų96106.6 Ų106.651%0.51354%0.543SS..PPolyproline II helixtrans-50.6116.7-177-172.55.6000108.5D4 Q8 S9D4-N6 PolarHBondContact O-N 2.94Å; N6-Q8 PolarHBondContact O-N 3.37Å; N6-S9 PolarHBondContact O-N 3.06Å; N6-S9 PolarHBondContact O-OG 3.18Å; N6-S9 VanDerWaalsContact O-OG 3.08Å
7P52.2Low61.1Low90 Ų90108.4 Ų108.458%0.58455%0.554SS**Hα-helixtrans-54.1-28.2-171.712.7-26.7000112.9S5 S9 S10 T11S5-P7 WeakPolarHBondContact O-CD 3.3Å; P7-S9 PolarHBondContact O-N 3.43Å; P7-S10 PolarHBondContact O-N 2.94Å; P7-S10 PolarHBondContact O-OG 3.36Å; P7-T11 PolarHBondContact O-N 3.05Å; P7-T11 VanDerWaalsContact O-N 3.09Å; P7-T11 PolarHBondContact O-OG1 3.34Å
8Q53.1Low62.3Low76 Ų76103.9 Ų103.936%0.35553%0.531SS..Hα-helixtrans-56-42171.4-82.1-177.7-24.600114.3N6 S10 T11 N12N6-Q8 PolarHBondContact O-N 3.37Å; Q8-S10 VanDerWaalsContact C-N 3.33Å; Q8-S10 PolarHBondContact O-N 3.3Å; Q8-T11 PolarHBondContact O-N 3.29Å; Q8-N12 WeakPolarHBondContact O-CB 3.4Å; Q8-N12 PolarHBondContact O-N 3.45Å; Q8-N12 PolarHBondContact O-ND2 2.98Å
9S57.4Low63.3Low51 Ų51102.2 Ų102.236%0.35752%0.523SS..Hα-helixtrans-64.8-42.8-179.273.20000110.3N6 P7 T11 N12 E13N6-S9 PolarHBondContact O-N 3.06Å; N6-S9 PolarHBondContact O-OG 3.18Å; N6-S9 VanDerWaalsContact O-OG 3.08Å; P7-S9 PolarHBondContact O-N 3.43Å; S9-T11 PolarHBondContact O-N 3.03Å; S9-N12 PolarHBondContact O-N 3.47Å; S9-E13 WeakPolarHBondContact O-CB 3.44Å; S9-E13 VanDerWaalsContact O-CG 3.28Å; S9-E13 WeakPolarHBondContact O-CG 3.47Å; S9-E13 PolarHBondContact O-N 2.99Å
10S67.6Low64.1Low37 Ų3798.4 Ų98.426%0.25950%0.504SS..Hα-helixtrans-65.4-38.3178.879.40000113.1P7 Q8 R14P7-S10 PolarHBondContact O-N 2.94Å; P7-S10 PolarHBondContact O-OG 3.36Å; Q8-S10 VanDerWaalsContact C-N 3.33Å; Q8-S10 PolarHBondContact O-N 3.3Å; S10-R14 VanDerWaalsContact O-CG 3.24Å; S10-R14 WeakPolarHBondContact O-CG 3.41Å; S10-R14 PolarHBondContact O-N 3.28Å
11T75.5Confident64.7Low29 Ų2997.9 Ų97.918%0.17851%0.509CS..Hα-helixtrans-73.3-41.2178.6-61.10000111.3P7 Q8 S9 R14 L15 P30P7-T11 PolarHBondContact O-N 3.05Å; P7-T11 VanDerWaalsContact O-N 3.09Å; P7-T11 PolarHBondContact O-OG1 3.34Å; Q8-T11 PolarHBondContact O-N 3.29Å; S9-T11 PolarHBondContact O-N 3.03Å; T11-R14 PolarHBondContact O-N 3.25Å; T11-L15 HydrophobicContact CG2-CD1 4.12Å; T11-L15 WeakPolarHBondContact O-CG 3.4Å; T11-L15 PolarHBondContact O-N 3.03Å; T11-P30 HydrophobicContact CG2-CB 4.28Å; T11-P30 HydrophobicContact CG2-CG 4.27Å
12N77.4Confident66.8Low56 Ų5693.1 Ų93.130%0.29948%0.482SS..Hα-helixtrans-65.7-41.8177.7-75.4-16.7000112.1Q8 S9 R14 L15 Q16Q8-N12 WeakPolarHBondContact O-CB 3.4Å; Q8-N12 PolarHBondContact O-N 3.45Å; Q8-N12 PolarHBondContact O-ND2 2.98Å; S9-N12 PolarHBondContact O-N 3.47Å; N12-R14 VanDerWaalsContact C-N 3.35Å; N12-R14 PolarHBondContact O-N 2.92Å; N12-L15 PolarHBondContact O-N 3.4Å; N12-Q16 WeakPolarHBondContact O-CG 3.41Å; N12-Q16 PolarHBondContact O-N 3.44Å
13E79.3Confident69Low116 Ų11687 Ų8754%0.54244%0.444SS..Hα-helixtrans-60.2-44173.7-76.6171.7-167.600111.7S9 L15 Q16 N17S9-E13 WeakPolarHBondContact O-CB 3.44Å; S9-E13 VanDerWaalsContact O-CG 3.28Å; S9-E13 WeakPolarHBondContact O-CG 3.47Å; S9-E13 PolarHBondContact O-N 2.99Å; E13-L15 PolarHBondContact O-N 3.28Å; E13-Q16 PolarHBondContact O-N 2.76Å; E13-N17 PolarHBondContact O-N 3.45Å; E13-N17 VanDerWaalsContact O-N 3.15Å; E13-N17 PolarHBondContact O-ND2 2.95Å
14R82.2Confident71.6Confident164 Ų16479.4 Ų79.462%0.61942%0.422SS*.Hα-helixtrans-61.2-43.8174.1-73.1173.8-175-174.83.6111.5S10 T11 N12 N17 I18 P30S10-R14 VanDerWaalsContact O-CG 3.24Å; S10-R14 WeakPolarHBondContact O-CG 3.41Å; S10-R14 PolarHBondContact O-N 3.28Å; T11-R14 PolarHBondContact O-N 3.25Å; N12-R14 VanDerWaalsContact C-N 3.35Å; N12-R14 PolarHBondContact O-N 2.92Å; R14-N17 PolarHBondContact O-N 3.25Å; R14-I18 WeakPolarHBondContact O-CD1 3.49Å; R14-I18 WeakPolarHBondContact O-CG1 3.45Å; R14-I18 PolarHBondContact O-N 3.43Å; R14-P30 HydrophobicContact CB-CB 4.36Å; R14-P30 HydrophobicContact CB-CG 4.41Å
15L84.7Confident74Confident2 Ų276.5 Ų76.51%0.0140%0.403CS..Hα-helixtrans-63-42.4177.3-78166.2000112.7T11 N12 E13 N17 I18 P30 K56 L59 L60T11-L15 HydrophobicContact CG2-CD1 4.12Å; T11-L15 WeakPolarHBondContact O-CG 3.4Å; T11-L15 PolarHBondContact O-N 3.03Å; N12-L15 PolarHBondContact O-N 3.4Å; E13-L15 PolarHBondContact O-N 3.28Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 3.35Å; L15-I18 PolarHBondContact O-N 3.25Å; L15-P30 HydrophobicContact CD1-CG 4.37Å; L15-P30 HydrophobicContact CD2-CG 3.44Å; L15-P30 VanDerWaalsContact CD2-CG 3.44Å; L15-P30 HydrophobicContact CG-CG 3.48Å; L15-P30 VanDerWaalsContact CG-CG 3.48Å; L15-K56 WeakPolarHBondContact O-CE 3.48Å; L15-L59 HydrophobicContact CD1-CB 3.71Å; L15-L59 HydrophobicContact CD2-CB 4.1Å; L15-L59 HydrophobicContact CD2-CD1 3.85Å; L15-L60 HydrophobicContact CB-CD2 3.91Å; L15-L60 HydrophobicContact CB-CG 4.36Å; L15-L60 HydrophobicContact CD1-CD2 4.41Å
16Q82.9Confident76.5Confident120 Ų12072.4 Ų72.456%0.56137%0.373SS*.Hα-helixtrans-61.7-42.3179-74.9179.18.700111.5N12 E13 I18 K56 L60N12-Q16 WeakPolarHBondContact O-CG 3.41Å; N12-Q16 PolarHBondContact O-N 3.44Å; E13-Q16 PolarHBondContact O-N 2.76Å; Q16-I18 VanDerWaalsContact C-N 3.32Å; Q16-I18 PolarHBondContact O-N 2.93Å; Q16-K56 PolarHBondContact O-NZ 2.8Å; Q16-L60 HydrophobicContact CG-CD1 4.5Å; Q16-L60 HydrophobicContact CG-CD2 4.08Å
17N82.7Confident78.6Confident137 Ų13772.8 Ų72.873%0.73338%0.379SS*.Hα-helixtrans-80.6-6.5-178.7-67.6-28.5000114.5E13 R14 L15 D19E13-N17 PolarHBondContact O-N 3.45Å; E13-N17 VanDerWaalsContact O-N 3.15Å; E13-N17 PolarHBondContact O-ND2 2.95Å; R14-N17 PolarHBondContact O-N 3.25Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 3.35Å; N17-D19 PolarHBondContact O-N 3.17Å
18I83Confident80.4Confident29 Ų2972.6 Ų72.615%0.14937%0.37CS..  trans-71.9125177.9-81.4163000111.3R14 L15 Q16 I20 C23 P30 K56R14-I18 WeakPolarHBondContact O-CD1 3.49Å; R14-I18 WeakPolarHBondContact O-CG1 3.45Å; R14-I18 PolarHBondContact O-N 3.43Å; L15-I18 PolarHBondContact O-N 3.25Å; Q16-I18 VanDerWaalsContact C-N 3.32Å; Q16-I18 PolarHBondContact O-N 2.93Å; I18-I20 PolarHBondContact O-N 3.43Å; I18-C23 WeakPolarHBondContact CG2-SG 3.48Å; I18-P30 VanDerWaalsContact CD1-CD 3.42Å; I18-P30 HydrophobicContact CD1-CG 3.98Å; I18-K56 PolarHBondContact O-NZ 3.33Å
19D82.2Confident82.2Confident70 Ų7069.2 Ų69.237%0.37436%0.355SS..  trans-84.1101.1167.3-178.1-2.5000109.7N17 S21 K22N17-D19 PolarHBondContact O-N 3.17Å; D19-S21 VanDerWaalsContact CG-OG 3.25Å; D19-S21 PolarHBondContact O-N 3.08Å; D19-S21 VanDerWaalsContact O-N 3.14Å; D19-S21 WeakPolarHBondContact OD1-CB 3.17Å; D19-S21 PolarHBondContact OD1-N 3.03Å; D19-S21 VanDerWaalsContact OD1-N 3.13Å; D19-S21 PolarHBondContact OD1-OG 3.12Å; D19-S21 PolarHBondContact OD2-OG 3.23Å; D19-K22 HydrophobicContact CB-CD 4.33Å; D19-K22 PolarHBondContact O-N 3.07Å; D19-K22 VanDerWaalsContact O-N 3.08Å; D19-K22 VanDerWaalsContact OD2-CD 3.25Å; D19-K22 WeakPolarHBondContact OD2-CD 3.48Å; D19-K22 WeakPolarHBondContact OD2-CE 3.15Å; D19-K22 IonicContact OD2-NZ 3.15Å; D19-K22 PolarHBondContact OD2-NZ 3.13Å; D19-K22 VanDerWaalsContact OD2-NZ 3.15Å
20I79.7Confident83.8Confident27 Ų2768.2 Ų68.214%0.13835%0.347CS..G310 helixtrans-55.5-32.7-177.9-58171.9000111.4I18 K22 C23 K52 K56 I239I18-I20 PolarHBondContact O-N 3.43Å; I20-K22 PolarHBondContact O-N 3.39Å; I20-C23 PolarHBondContact O-N 3.2Å; I20-K52 HydrophobicContact CG2-CB 3.68Å; I20-K52 VanDerWaalsContact CG2-O 3.3Å; I20-K52 WeakPolarHBondContact CG2-O 3.44Å; I20-K56 HydrophobicContact CD1-CB 3.78Å; I20-K56 HydrophobicContact CD1-CD 3.71Å; I20-K56 HydrophobicContact CD1-CG 4.37Å; I20-K56 HydrophobicContact CG1-CB 4.15Å; I20-K56 HydrophobicContact CG1-CD 3.9Å; I20-I239 HydrophobicContact CD1-CD1 4.12Å
21S75.3Confident85.1Confident88 Ų8867.3 Ų67.362%0.61534%0.339SS*.G310 helixtrans-63.9-28.1-177.473.70000112.4D19D19-S21 VanDerWaalsContact CG-OG 3.25Å; D19-S21 PolarHBondContact O-N 3.08Å; D19-S21 VanDerWaalsContact O-N 3.14Å; D19-S21 WeakPolarHBondContact OD1-CB 3.17Å; D19-S21 PolarHBondContact OD1-N 3.03Å; D19-S21 VanDerWaalsContact OD1-N 3.13Å; D19-S21 PolarHBondContact OD1-OG 3.12Å; D19-S21 PolarHBondContact OD2-OG 3.23Å
22K81.1Confident86Confident143 Ų14366.4 Ų66.462%0.62233%0.334SS*.G310 helixtrans-94.1-7-178.8-65.3176-175154.90113.8D19 I20 N24 Q28D19-K22 HydrophobicContact CB-CD 4.33Å; D19-K22 PolarHBondContact O-N 3.07Å; D19-K22 VanDerWaalsContact O-N 3.08Å; D19-K22 VanDerWaalsContact OD2-CD 3.25Å; D19-K22 WeakPolarHBondContact OD2-CD 3.48Å; D19-K22 WeakPolarHBondContact OD2-CE 3.15Å; D19-K22 IonicContact OD2-NZ 3.15Å; D19-K22 PolarHBondContact OD2-NZ 3.13Å; D19-K22 VanDerWaalsContact OD2-NZ 3.15Å; I20-K22 PolarHBondContact O-N 3.39Å; K22-N24 PolarHBondContact O-N 3.19Å; K22-N24 VanDerWaalsContact O-N 3.16Å; K22-Q28 PolarHBondContact O-NE2 2.98Å; K22-Q28 VanDerWaalsContact O-NE2 3.13Å
23C84.3Confident86.9Confident6 Ų672.1 Ų72.14%0.04136%0.356CS..  trans-81.192.7178.5-66.40000110.9I18 I20 Q28 F29 K52I18-C23 WeakPolarHBondContact CG2-SG 3.48Å; I20-C23 PolarHBondContact O-N 3.2Å; C23-Q28 HydrophobicContact CB-CB 4.48Å; C23-F29 HydrophobicContact CB-CD2 4.35Å; C23-F29 HydrophobicContact CB-CE2 3.54Å; C23-F29 HydrophobicContact CB-CZ 3.71Å; C23-K52 WeakPolarHBondContact O-CE 3.25Å; C23-K52 PolarHBondContact O-NZ 2.96Å
24N90.2Very high87.7Confident87 Ų8769.6 Ų69.647%0.46534%0.344SS..  trans-90.8-18.8176.9-70.1-35.4000113.8K22 K46 P47 K52K22-N24 PolarHBondContact O-N 3.19Å; K22-N24 VanDerWaalsContact O-N 3.16Å; N24-K46 WeakPolarHBondContact O-CB 3.11Å; N24-K46 WeakPolarHBondContact O-CG 3.28Å; N24-P47 WeakPolarHBondContact O-CD 3.44Å; N24-K52 PolarHBondContact OD1-NZ 3.36Å
25F93.7Very high88.4Confident92 Ų9261.8 Ų61.840%0.40432%0.315SS..SBendtrans-130.7151.4179.7-62.1-84.4000111.3T27 Q28 T45 K46F25-T27 PolarHBondContact O-N 3Å; F25-Q28 WeakPolarHBondContact O-CB 3.24Å; F25-Q28 PolarHBondContact O-N 3.3Å; F25-Q28 VanDerWaalsContact O-N 3.14Å; F25-T45 WeakPolarHBondContact CA-O 3.28Å; F25-K46 HydrophobicContact CD1-CG 3.91Å; F25-K46 HydrophobicContact CE1-CD 4.37Å; F25-K46 HydrophobicContact CE1-CG 3.87Å
26F93.8Very high89Confident5 Ų563.6 Ų63.62%0.02232%0.324CS..G310 helixtrans-61-27.9175.8-73.5-70.5000113.1Q28 F29 L36 L39 T45 P47 L55 I76 I80F26-Q28 PolarHBondContact O-N 3.47Å; F26-Q28 VanDerWaalsContact O-N 3.15Å; F26-F29 WeakPolarHBondContact O-CB 3.41Å; F26-F29 PolarHBondContact O-N 3.47Å; F26-L36 HydrophobicContact CB-CD2 4.12Å; F26-L39 HydrophobicContact CB-CD1 4.06Å; F26-L39 HydrophobicContact CD1-CD1 4.11Å; F26-L39 HydrophobicContact CD2-CD1 4.29Å; F26-L39 HydrophobicContact CG-CD1 3.92Å; F26-T45 WeakPolarHBondContact CD2-O 3.33Å; F26-T45 PolarHBondContact N-O 3.1Å; F26-P47 HydrophobicContact CD1-CB 4.2Å; F26-P47 HydrophobicContact CE1-CB 3.67Å; F26-P47 HydrophobicContact CE2-CB 4.37Å; F26-P47 HydrophobicContact CZ-CB 3.78Å; F26-L55 HydrophobicContact CD1-CD1 4.3Å; F26-L55 HydrophobicContact CE1-CD1 4.03Å; F26-I76 HydrophobicContact CE1-CG2 4.44Å; F26-I76 HydrophobicContact CZ-CG2 4.13Å; F26-I80 HydrophobicContact CD1-CD1 3.88Å; F26-I80 HydrophobicContact CE1-CD1 3.55Å; F26-I80 HydrophobicContact CZ-CD1 4.36Å
27T91.8Very high89.6Confident104 Ų10463 Ų6364%0.63832%0.32SS*.G310 helixtrans-64.6-14.1177.452.40000114F25 L36F25-T27 PolarHBondContact O-N 3Å; T27-L36 HydrophobicContact CG2-CD2 4.33Å
28Q90.8Very high90.2Very high85 Ų8556.5 Ų56.540%0.39729%0.285SS..G310 helixtrans-87.2-9.8175.3-62.2173.4-79.500112.4K22 C23 F25 F26K22-Q28 PolarHBondContact O-NE2 2.98Å; K22-Q28 VanDerWaalsContact O-NE2 3.13Å; C23-Q28 HydrophobicContact CB-CB 4.48Å; F25-Q28 WeakPolarHBondContact O-CB 3.24Å; F25-Q28 PolarHBondContact O-N 3.3Å; F25-Q28 VanDerWaalsContact O-N 3.14Å; F26-Q28 PolarHBondContact O-N 3.47Å; F26-Q28 VanDerWaalsContact O-N 3.15Å
29F91.5Very high90.9Very high5 Ų555.2 Ų55.22%0.02228%0.278CS..SBendtrans-88.1146.7168.1-66.4-96.5000109.2C23 F26 L31 P47 L55C23-F29 HydrophobicContact CB-CD2 4.35Å; C23-F29 HydrophobicContact CB-CE2 3.54Å; C23-F29 HydrophobicContact CB-CZ 3.71Å; F26-F29 WeakPolarHBondContact O-CB 3.41Å; F26-F29 PolarHBondContact O-N 3.47Å; F29-L31 HydrophobicContact CB-CD1 4.1Å; F29-L31 HydrophobicContact CB-CD2 4.17Å; F29-L31 HydrophobicContact CB-CG 3.76Å; F29-L31 PolarHBondContact O-N 3.32Å; F29-P47 HydrophobicContact CE2-CG 4.11Å; F29-L55 HydrophobicContact CD1-CB 4.22Å; F29-L55 HydrophobicContact CD1-CD1 4.32Å; F29-L55 HydrophobicContact CE1-CB 3.87Å; F29-L55 HydrophobicContact CE1-CD1 4.08Å; F29-L55 HydrophobicContact CE2-CD1 4.28Å; F29-L55 HydrophobicContact CZ-CD1 4.06Å
30P90.5Very high91.5Very high31 Ų3159.5 Ų59.520%0.20129%0.294CS..  trans-83.265-17735.3-32.7000109.5T11 R14 L15 I18T11-P30 HydrophobicContact CG2-CB 4.28Å; T11-P30 HydrophobicContact CG2-CG 4.27Å; R14-P30 HydrophobicContact CB-CB 4.36Å; R14-P30 HydrophobicContact CB-CG 4.41Å; L15-P30 HydrophobicContact CD1-CG 4.37Å; L15-P30 HydrophobicContact CD2-CG 3.44Å; L15-P30 VanDerWaalsContact CD2-CG 3.44Å; L15-P30 HydrophobicContact CG-CG 3.48Å; L15-P30 VanDerWaalsContact CG-CG 3.48Å; I18-P30 VanDerWaalsContact CD1-CD 3.42Å; I18-P30 HydrophobicContact CD1-CG 3.98Å
31L94.5Very high92.2Very high17 Ų1762.6 Ų62.69%0.08931%0.31CS..  trans-93.5158.4-179.9-54.1179.1000110.9F29 T35 L36 L39 L59 I80 E84F29-L31 HydrophobicContact CB-CD1 4.1Å; F29-L31 HydrophobicContact CB-CD2 4.17Å; F29-L31 HydrophobicContact CB-CG 3.76Å; F29-L31 PolarHBondContact O-N 3.32Å; L31-T35 HydrophobicContact CD1-CG2 4.47Å; L31-L36 HydrophobicContact CB-CD1 4.47Å; L31-L36 HydrophobicContact CB-CD2 4.14Å; L31-L36 HydrophobicContact CB-CG 4Å; L31-L36 HydrophobicContact CD1-CD2 4.02Å; L31-L39 HydrophobicContact CD1-CD1 4.26Å; L31-L59 HydrophobicContact CD2-CD1 3.74Å; L31-L59 HydrophobicContact CD2-CD2 4.3Å; L31-I80 HydrophobicContact CD1-CD1 4.45Å; L31-I80 HydrophobicContact CD1-CG2 3.93Å; L31-I80 HydrophobicContact CD2-CG2 3.55Å; L31-I80 HydrophobicContact CG-CG2 4.39Å; L31-E84 HydrophobicContact CD2-CG 3.85Å
32S94.9Very high93Very high10 Ų1059.6 Ų59.67%0.0729%0.289CS..  trans-60.6152.7174.5110.60000111.9E34 T35 L36 E84 H123S32-E34 WeakPolarHBondContact CB-OE2 3.48Å; S32-E34 PolarHBondContact O-N 2.96Å; S32-E34 PolarHBondContact OG-N 2.99Å; S32-E34 PolarHBondContact OG-OE2 3.37Å; S32-T35 PolarHBondContact O-N 3.49Å; S32-T35 PolarHBondContact OG-N 3.37Å; S32-T35 PolarHBondContact OG-OG1 3.01Å; S32-L36 WeakPolarHBondContact O-CG 3.43Å; S32-L36 PolarHBondContact O-N 3.48Å; S32-E84 WeakPolarHBondContact CB-OE1 3.38Å; S32-E84 VanDerWaalsContact N-CD 3.29Å; S32-E84 PolarHBondContact N-OE1 2.82Å; S32-E84 PolarHBondContact N-OE2 2.77Å; S32-H123 PolarHBondContact OG-CE1 3.28Å
33K95.7Very high93.5Very high176 Ų17655.5 Ų55.577%0.76529%0.288SS*.Hα-helixtrans-61.5-38.1179.4-69.4179.6-179174.30111.2L36 K37K33-L36 PolarHBondContact O-N 2.97Å; K33-K37 VanDerWaalsContact O-CB 3.25Å; K33-K37 WeakPolarHBondContact O-CB 3.48Å; K33-K37 PolarHBondContact O-N 2.92Å
34E96.6Very high93.9Very high63 Ų6358.9 Ų58.929%0.29430%0.3SS..Hα-helixtrans-64.2-47.7178.9-59.273.8-161.400110.5S32 K37 G38 H87 E122S32-E34 WeakPolarHBondContact CB-OE2 3.48Å; S32-E34 PolarHBondContact O-N 2.96Å; S32-E34 PolarHBondContact OG-N 2.99Å; S32-E34 PolarHBondContact OG-OE2 3.37Å; E34-K37 PolarHBondContact O-N 3.28Å; E34-G38 PolarHBondContact O-N 3.45Å; E34-H87 IonicContact OE2-CE1 3.41Å; E34-H87 PolarHBondContact OE2-CE1 3.44Å; E34-H87 IonicContact OE2-ND1 3.64Å; E34-H87 IonicContact OE2-NE2 3.97Å; E34-E122 HydrophobicContact CB-CB 3.9Å; E34-E122 HydrophobicContact CG-CB 4.46Å; E34-E122 WeakPolarHBondContact CG-O 3.48Å
35T96.6Very high93.9Very high0 Ų058.3 Ų58.30%030%0.3CS..Hα-helixtrans-61.4-47.5176.3-59.40000111.2L31 S32 K37 G38 L39 I80 E84 H123L31-T35 HydrophobicContact CD1-CG2 4.47Å; S32-T35 PolarHBondContact O-N 3.49Å; S32-T35 PolarHBondContact OG-N 3.37Å; S32-T35 PolarHBondContact OG-OG1 3.01Å; T35-K37 VanDerWaalsContact C-N 3.33Å; T35-K37 PolarHBondContact O-N 3.07Å; T35-G38 PolarHBondContact O-N 3.24Å; T35-L39 HydrophobicContact CG2-CD1 4.09Å; T35-L39 HydrophobicContact CG2-CG 4.46Å; T35-L39 WeakPolarHBondContact O-CB 3.4Å; T35-L39 VanDerWaalsContact O-CG 3.3Å; T35-L39 WeakPolarHBondContact O-CG 3.37Å; T35-L39 PolarHBondContact O-N 2.57Å; T35-I80 HydrophobicContact CG2-CG1 4.34Å; T35-I80 HydrophobicContact CG2-CG2 4.44Å; T35-E84 WeakPolarHBondContact CB-OE1 3.39Å; T35-E84 PolarHBondContact OG1-OE1 2.77Å; T35-H123 PolarHBondContact N-NE2 3.45Å; T35-H123 PolarHBondContact OG1-NE2 3.49Å
36L96.6Very high93.8Very high40 Ų4060.4 Ų60.421%0.20931%0.309CS..Hα-helixtrans-61.6-40.6178.2-71.5172.9000112.4F26 T27 L31 S32 K33 L39 K40F26-L36 HydrophobicContact CB-CD2 4.12Å; T27-L36 HydrophobicContact CG2-CD2 4.33Å; L31-L36 HydrophobicContact CB-CD1 4.47Å; L31-L36 HydrophobicContact CB-CD2 4.14Å; L31-L36 HydrophobicContact CB-CG 4Å; L31-L36 HydrophobicContact CD1-CD2 4.02Å; S32-L36 WeakPolarHBondContact O-CG 3.43Å; S32-L36 PolarHBondContact O-N 3.48Å; K33-L36 PolarHBondContact O-N 2.97Å; L36-L39 PolarHBondContact O-N 3.3Å; L36-K40 WeakPolarHBondContact O-CB 3.5Å; L36-K40 PolarHBondContact O-N 3.47Å
37K96.3Very high93.8Very high109 Ų10960.7 Ų60.747%0.47431%0.311SS..Hα-helixtrans-65.7-45176.6-174.9178.7173.9-160.90111K33 E34 T35 L39 K40 L41 E122K33-K37 VanDerWaalsContact O-CB 3.25Å; K33-K37 WeakPolarHBondContact O-CB 3.48Å; K33-K37 PolarHBondContact O-N 2.92Å; E34-K37 PolarHBondContact O-N 3.28Å; T35-K37 VanDerWaalsContact C-N 3.33Å; T35-K37 PolarHBondContact O-N 3.07Å; K37-L39 PolarHBondContact O-N 3.47Å; K37-K40 PolarHBondContact O-N 3.24Å; K37-L41 HydrophobicContact CG-CD1 4.07Å; K37-L41 HydrophobicContact CG-CG 4.49Å; K37-L41 WeakPolarHBondContact O-CB 3.31Å; K37-L41 VanDerWaalsContact O-CG 3.3Å; K37-L41 WeakPolarHBondContact O-CG 3.38Å; K37-L41 PolarHBondContact O-N 3.32Å; K37-E122 HydrophobicContact CB-CG 4.07Å; K37-E122 HydrophobicContact CD-CG 3.83Å; K37-E122 WeakPolarHBondContact CD-OE2 3.3Å; K37-E122 VanDerWaalsContact CE-CD 3.48Å; K37-E122 WeakPolarHBondContact CE-OE2 3.27Å; K37-E122 HydrophobicContact CG-CG 3.88Å; K37-E122 IonicContact NZ-OE1 3.73Å; K37-E122 IonicContact NZ-OE2 2.68Å; K37-E122 PolarHBondContact NZ-OE2 3Å
38G96.2Very high93.7Very high0 Ų058.2 Ų58.20%030%0.296CS..Hα-helixtrans-60.8-41.2175.300000113.4E34 T35 S42 I119E34-G38 PolarHBondContact O-N 3.45Å; T35-G38 PolarHBondContact O-N 3.24Å; G38-S42 WeakPolarHBondContact O-CB 3.5Å; G38-S42 PolarHBondContact O-N 2.97Å; G38-S42 VanDerWaalsContact O-N 3.11Å; G38-S42 PolarHBondContact O-OG 3.21Å; G38-I119 WeakPolarHBondContact CA-O 3.5Å
39L96.2Very high93.6Very high1 Ų156.5 Ų56.51%0.00530%0.296CS..Hα-helixtrans-62-50.6173.5-72.9170.4000111.5F26 L31 T35 L36 K37 L41 S42 G43 Y44 I76 I80 I119F26-L39 HydrophobicContact CB-CD1 4.06Å; F26-L39 HydrophobicContact CD1-CD1 4.11Å; F26-L39 HydrophobicContact CD2-CD1 4.29Å; F26-L39 HydrophobicContact CG-CD1 3.92Å; L31-L39 HydrophobicContact CD1-CD1 4.26Å; T35-L39 HydrophobicContact CG2-CD1 4.09Å; T35-L39 HydrophobicContact CG2-CG 4.46Å; T35-L39 WeakPolarHBondContact O-CB 3.4Å; T35-L39 VanDerWaalsContact O-CG 3.3Å; T35-L39 WeakPolarHBondContact O-CG 3.37Å; T35-L39 PolarHBondContact O-N 2.57Å; L36-L39 PolarHBondContact O-N 3.3Å; K37-L39 PolarHBondContact O-N 3.47Å; L39-L41 PolarHBondContact O-N 2.94Å; L39-S42 CarbonylContact O-C 3.56Å; L39-S42 WeakPolarHBondContact O-CA 3.49Å; L39-S42 WeakPolarHBondContact O-CB 3.46Å; L39-S42 PolarHBondContact O-N 3.49Å; L39-G43 PolarHBondContact O-N 2.83Å; L39-Y44 CarbonylContact C-O 3.59Å; L39-Y44 HydrophobicContact CD2-CD2 4.11Å; L39-Y44 HydrophobicContact CD2-CG 4.45Å; L39-Y44 PolarHBondContact O-N 2.97Å; L39-I76 HydrophobicContact CD2-CG2 4.05Å; L39-I80 HydrophobicContact CD1-CD1 3.87Å; L39-I80 HydrophobicContact CD1-CG1 4.28Å; L39-I80 HydrophobicContact CD2-CD1 4.22Å; L39-I80 HydrophobicContact CD2-CG1 4.43Å; L39-I119 HydrophobicContact CD2-CD1 4.04Å; L39-I119 HydrophobicContact CD2-CG1 4.19Å; L39-I119 HydrophobicContact CD2-CG2 3.8Å; L39-I119 HydrophobicContact CG-CG2 3.97Å
40K94.6Very high93.4Very high161 Ų16156.3 Ų56.370%0.730%0.295SS*.Hα-helixtrans-58.7-47179.1-174.3-179.8179.5-178.70111.9L36 K37 S42 G43L36-K40 WeakPolarHBondContact O-CB 3.5Å; L36-K40 PolarHBondContact O-N 3.47Å; K37-K40 PolarHBondContact O-N 3.24Å; K40-S42 PolarHBondContact O-N 2.89Å; K40-G43 PolarHBondContact O-N 3.41Å
41L94.6Very high93.6Very high91 Ų9155.1 Ų55.148%0.47629%0.287SS..Hα-helixtrans-66.9-16.9177.1-70.1175.2000113.5K37 L39 R121 E122K37-L41 HydrophobicContact CG-CD1 4.07Å; K37-L41 HydrophobicContact CG-CG 4.49Å; K37-L41 WeakPolarHBondContact O-CB 3.31Å; K37-L41 VanDerWaalsContact O-CG 3.3Å; K37-L41 WeakPolarHBondContact O-CG 3.38Å; K37-L41 PolarHBondContact O-N 3.32Å; L39-L41 PolarHBondContact O-N 2.94Å; L41-R121 VanDerWaalsContact C-NH2 3.34Å; L41-R121 PolarHBondContact O-NH2 3.38Å; L41-R121 VanDerWaalsContact O-NH2 3.14Å; L41-E122 WeakPolarHBondContact CD1-OE1 3.34Å
42S92.8Very high93.4Very high26 Ų2656.4 Ų56.418%0.18229%0.292CS..THydrogen-bonded Turntrans-94.70.6174.5-53.60000112.7G38 L39 K40 Y44 K118 R121G38-S42 WeakPolarHBondContact O-CB 3.5Å; G38-S42 PolarHBondContact O-N 2.97Å; G38-S42 VanDerWaalsContact O-N 3.11Å; G38-S42 PolarHBondContact O-OG 3.21Å; L39-S42 CarbonylContact O-C 3.56Å; L39-S42 WeakPolarHBondContact O-CA 3.49Å; L39-S42 WeakPolarHBondContact O-CB 3.46Å; L39-S42 PolarHBondContact O-N 3.49Å; K40-S42 PolarHBondContact O-N 2.89Å; S42-Y44 VanDerWaalsContact C-N 3.34Å; S42-Y44 VanDerWaalsContact CB-CD2 3.43Å; S42-Y44 VanDerWaalsContact CB-CE2 3.5Å; S42-K118 PolarHBondContact OG-O 2.75Å; S42-R121 PolarHBondContact OG-NH2 3.44Å
43G92.1Very high93.2Very high57 Ų5756.9 Ų56.959%0.58829%0.294SS*.THydrogen-bonded Turntrans809.8-177.300000114.6L39 K40 T45L39-G43 PolarHBondContact O-N 2.83Å; K40-G43 PolarHBondContact O-N 3.41Å; G43-T45 PolarHBondContact O-N 2.74Å
44Y92.3Very high93Very high76 Ų7648.5 Ų48.530%0.29826%0.257SS..  trans-92.4101.1178.8-55.8-53.3000110.3L39 S42 I76 I119L39-Y44 CarbonylContact C-O 3.59Å; L39-Y44 HydrophobicContact CD2-CD2 4.11Å; L39-Y44 HydrophobicContact CD2-CG 4.45Å; L39-Y44 PolarHBondContact O-N 2.97Å; S42-Y44 VanDerWaalsContact C-N 3.34Å; S42-Y44 VanDerWaalsContact CB-CD2 3.43Å; S42-Y44 VanDerWaalsContact CB-CE2 3.5Å; Y44-I76 HydrophobicContact CD1-CD1 3.54Å; Y44-I76 HydrophobicContact CD2-CD1 3.67Å; Y44-I76 HydrophobicContact CE1-CD1 3.52Å; Y44-I76 HydrophobicContact CE2-CD1 3.65Å; Y44-I76 HydrophobicContact CE2-CG1 4.48Å; Y44-I76 HydrophobicContact CG-CD1 3.62Å; Y44-I119 HydrophobicContact CD2-CD1 4.24Å; Y44-I119 HydrophobicContact CD2-CG1 4.26Å; Y44-I119 HydrophobicContact CE2-CD1 4.14Å; Y44-I119 HydrophobicContact CE2-CG1 4.2Å
45T90.2Very high92.9Very high75 Ų7545.5 Ų45.546%0.4624%0.243SC..  trans-112-39.3-179.454.10000113F25 F26 G43F25-T45 WeakPolarHBondContact CA-O 3.28Å; F26-T45 WeakPolarHBondContact CD2-O 3.33Å; F26-T45 PolarHBondContact N-O 3.1Å; G43-T45 PolarHBondContact O-N 2.74Å
46K92.4Very high92.7Very high136 Ų13647.7 Ų47.759%0.59125%0.253SS*.SBendtrans-109.5130.3-179.5-59.6-174179.4178.40110.5N24 F25N24-K46 WeakPolarHBondContact O-CB 3.11Å; N24-K46 WeakPolarHBondContact O-CG 3.28Å; F25-K46 HydrophobicContact CD1-CG 3.91Å; F25-K46 HydrophobicContact CE1-CD 4.37Å; F25-K46 HydrophobicContact CE1-CG 3.87Å
47P92.9Very high92.5Very high11 Ų1146 Ų467%0.07125%0.245CC..  trans-73.8144.2174.529.8-34000111.7N24 F26 F29 Q51 K52N24-P47 WeakPolarHBondContact O-CD 3.44Å; F26-P47 HydrophobicContact CD1-CB 4.2Å; F26-P47 HydrophobicContact CE1-CB 3.67Å; F26-P47 HydrophobicContact CE2-CB 4.37Å; F26-P47 HydrophobicContact CZ-CB 3.78Å; F29-P47 HydrophobicContact CE2-CG 4.11Å; P47-Q51 HydrophobicContact CB-CB 3.97Å; P47-K52 HydrophobicContact CB-CG 3.94Å; P47-K52 HydrophobicContact CG-CD 4.4Å; P47-K52 HydrophobicContact CG-CG 3.73Å
48T89.8Confident92.5Very high52 Ų5241 Ų4132%0.31922%0.223SC..  trans-73.3165.9169.5690000111.1I50 Q51 K52 S72T48-I50 VanDerWaalsContact C-N 3.34Å; T48-I50 PolarHBondContact O-N 2.92Å; T48-I50 WeakPolarHBondContact OG1-CG2 3.31Å; T48-Q51 WeakPolarHBondContact O-CB 3.49Å; T48-Q51 PolarHBondContact O-N 3.39Å; T48-Q51 VanDerWaalsContact O-N 3.08Å; T48-Q51 VanDerWaalsContact OG1-CG 3.27Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.38Å; T48-Q51 PolarHBondContact OG1-OE1 3.14Å; T48-K52 WeakPolarHBondContact O-CG 3.3Å; T48-K52 PolarHBondContact O-N 3.26Å; T48-S72 VanDerWaalsContact CB-O 3.26Å; T48-S72 WeakPolarHBondContact CB-O 3.09Å; T48-S72 WeakPolarHBondContact CG2-O 3.28Å; T48-S72 PolarHBondContact OG1-O 3.23Å
49A87.6Confident92.4Very high49 Ų4941.8 Ų41.841%0.40523%0.227SC..Hα-helixtrans-53.9-47.4179.900000112.6Q51 K52 L53 V234A49-Q51 VanDerWaalsContact C-N 3.33Å; A49-Q51 PolarHBondContact O-N 2.98Å; A49-K52 WeakPolarHBondContact O-CB 3.47Å; A49-K52 PolarHBondContact O-N 3.37Å; A49-L53 WeakPolarHBondContact O-CG 3.16Å; A49-L53 PolarHBondContact O-N 3.32Å; A49-L53 VanDerWaalsContact O-N 3.1Å; A49-V234 HydrophobicContact CB-CG1 4.16Å
50I89.3Confident92.2Very high1 Ų144 Ų441%0.00524%0.239CC..Hα-helixtrans-65.3-36.2178.1-167.858.2000112.4T48 L53 V54 A66 A68 S72 V232 V234T48-I50 VanDerWaalsContact C-N 3.34Å; T48-I50 PolarHBondContact O-N 2.92Å; T48-I50 WeakPolarHBondContact OG1-CG2 3.31Å; I50-L53 PolarHBondContact O-N 3.23Å; I50-V54 HydrophobicContact CD1-CG2 3.91Å; I50-V54 HydrophobicContact CG1-CG2 4.05Å; I50-V54 WeakPolarHBondContact O-CB 3.43Å; I50-V54 VanDerWaalsContact O-CG2 3.22Å; I50-V54 WeakPolarHBondContact O-CG2 3.42Å; I50-V54 PolarHBondContact O-N 3.41Å; I50-A66 HydrophobicContact CD1-CB 4.19Å; I50-A68 HydrophobicContact CB-CB 4.17Å; I50-A68 HydrophobicContact CD1-CB 3.99Å; I50-A68 HydrophobicContact CG1-CB 3.77Å; I50-S72 WeakPolarHBondContact CG2-O 3.48Å; I50-V232 HydrophobicContact CD1-CG2 4.01Å; I50-V234 HydrophobicContact CB-CG2 3.73Å; I50-V234 HydrophobicContact CD1-CG2 3.88Å; I50-V234 HydrophobicContact CG1-CG2 4.24Å
51Q93.4Very high92.2Very high6 Ų638.4 Ų38.43%0.02823%0.227CC..Hα-helixtrans-64.2-43.5176.6-69.11623.800110.4P47 T48 A49 L53 V54 L55 G73 A77P47-Q51 HydrophobicContact CB-CB 3.97Å; T48-Q51 WeakPolarHBondContact O-CB 3.49Å; T48-Q51 PolarHBondContact O-N 3.39Å; T48-Q51 VanDerWaalsContact O-N 3.08Å; T48-Q51 VanDerWaalsContact OG1-CG 3.27Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.38Å; T48-Q51 PolarHBondContact OG1-OE1 3.14Å; A49-Q51 VanDerWaalsContact C-N 3.33Å; A49-Q51 PolarHBondContact O-N 2.98Å; Q51-L53 VanDerWaalsContact C-N 3.33Å; Q51-L53 PolarHBondContact O-N 3.46Å; Q51-V54 PolarHBondContact O-N 3.17Å; Q51-L55 HydrophobicContact CB-CD1 4.41Å; Q51-L55 VanDerWaalsContact O-CB 3.26Å; Q51-L55 WeakPolarHBondContact O-CB 3.48Å; Q51-L55 WeakPolarHBondContact O-CD1 3.33Å; Q51-L55 WeakPolarHBondContact O-CG 3.44Å; Q51-L55 PolarHBondContact O-N 3.41Å; Q51-G73 WeakPolarHBondContact CG-O 3.46Å; Q51-G73 PolarHBondContact NE2-O 3.42Å; Q51-A77 HydrophobicContact CB-CB 4.4Å; Q51-A77 HydrophobicContact CG-CB 3.83Å
52K90.9Very high92.1Very high45 Ų4538.1 Ų38.120%0.19622%0.223CC..Hα-helixtrans-58.1-45.2175.3-69-171.3-172.9-161.80112.2I20 C23 N24 P47 T48 A49I20-K52 HydrophobicContact CG2-CB 3.68Å; I20-K52 VanDerWaalsContact CG2-O 3.3Å; I20-K52 WeakPolarHBondContact CG2-O 3.44Å; C23-K52 WeakPolarHBondContact O-CE 3.25Å; C23-K52 PolarHBondContact O-NZ 2.96Å; N24-K52 PolarHBondContact OD1-NZ 3.36Å; P47-K52 HydrophobicContact CB-CG 3.94Å; P47-K52 HydrophobicContact CG-CD 4.4Å; P47-K52 HydrophobicContact CG-CG 3.73Å; T48-K52 WeakPolarHBondContact O-CG 3.3Å; T48-K52 PolarHBondContact O-N 3.26Å; A49-K52 WeakPolarHBondContact O-CB 3.47Å; A49-K52 PolarHBondContact O-N 3.37Å
53L89.5Confident92.3Very high19 Ų1937.4 Ų37.410%0.09922%0.217CC..Hα-helixtrans-68.6-37.5-178.9-67172.9000112.9A49 I50 Q51 P57 V232 I239A49-L53 WeakPolarHBondContact O-CG 3.16Å; A49-L53 PolarHBondContact O-N 3.32Å; A49-L53 VanDerWaalsContact O-N 3.1Å; I50-L53 PolarHBondContact O-N 3.23Å; Q51-L53 VanDerWaalsContact C-N 3.33Å; Q51-L53 PolarHBondContact O-N 3.46Å; L53-P57 VanDerWaalsContact O-CD 3.27Å; L53-P57 WeakPolarHBondContact O-CD 3.35Å; L53-P57 WeakPolarHBondContact O-CG 3.47Å; L53-V232 HydrophobicContact CB-CB 4.14Å; L53-V232 HydrophobicContact CB-CG1 4.32Å; L53-V232 HydrophobicContact CB-CG2 4.46Å; L53-I239 HydrophobicContact CD2-CD1 4.32Å; L53-I239 HydrophobicContact CD2-CG1 4.04Å
54V93.3Very high92.4Very high0 Ų034.7 Ų34.70%019%0.189CC..Hα-helixtrans-83.2-37.8-175.6170.90000112.6I50 Q51 K56 P57 A58 V64 A66 A77 F210 V232I50-V54 HydrophobicContact CD1-CG2 3.91Å; I50-V54 HydrophobicContact CG1-CG2 4.05Å; I50-V54 WeakPolarHBondContact O-CB 3.43Å; I50-V54 VanDerWaalsContact O-CG2 3.22Å; I50-V54 WeakPolarHBondContact O-CG2 3.42Å; I50-V54 PolarHBondContact O-N 3.41Å; Q51-V54 PolarHBondContact O-N 3.17Å; V54-K56 PolarHBondContact O-N 3.35Å; V54-P57 VanDerWaalsContact O-CD 3.25Å; V54-P57 WeakPolarHBondContact O-CD 3.47Å; V54-P57 WeakPolarHBondContact O-CG 3.43Å; V54-A58 HydrophobicContact CG1-CB 4.06Å; V54-A58 WeakPolarHBondContact O-CB 3.35Å; V54-A58 PolarHBondContact O-N 2.96Å; V54-V64 HydrophobicContact CG2-CG1 4.34Å; V54-A66 HydrophobicContact CG2-CB 3.87Å; V54-A77 HydrophobicContact CB-CB 4.1Å; V54-A77 HydrophobicContact CG1-CB 4.04Å; V54-A77 HydrophobicContact CG2-CB 4.48Å; V54-F210 HydrophobicContact CG1-CE1 4.29Å; V54-F210 HydrophobicContact CG1-CZ 3.99Å; V54-F210 HydrophobicContact CG2-CE1 4.16Å; V54-V232 HydrophobicContact CG2-CG2 3.71Å
55L93.9Very high92.4Very high0 Ų031.2 Ų31.20%018%0.176CC..Hα-helixtrans-60.2-44.9-168.3-80170.4000113.1F26 F29 Q51 L59 I80 P81F26-L55 HydrophobicContact CD1-CD1 4.3Å; F26-L55 HydrophobicContact CE1-CD1 4.03Å; F29-L55 HydrophobicContact CD1-CB 4.22Å; F29-L55 HydrophobicContact CD1-CD1 4.32Å; F29-L55 HydrophobicContact CE1-CB 3.87Å; F29-L55 HydrophobicContact CE1-CD1 4.08Å; F29-L55 HydrophobicContact CE2-CD1 4.28Å; F29-L55 HydrophobicContact CZ-CD1 4.06Å; Q51-L55 HydrophobicContact CB-CD1 4.41Å; Q51-L55 VanDerWaalsContact O-CB 3.26Å; Q51-L55 WeakPolarHBondContact O-CB 3.48Å; Q51-L55 WeakPolarHBondContact O-CD1 3.33Å; Q51-L55 WeakPolarHBondContact O-CG 3.44Å; Q51-L55 PolarHBondContact O-N 3.41Å; L55-L59 HydrophobicContact CB-CD1 4.38Å; L55-L59 HydrophobicContact CD2-CD1 4.43Å; L55-L59 WeakPolarHBondContact O-CB 3.49Å; L55-L59 WeakPolarHBondContact O-CD1 3.47Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 3.02Å; L55-I80 HydrophobicContact CD1-CD1 4.41Å; L55-I80 HydrophobicContact CD2-CB 3.73Å; L55-I80 HydrophobicContact CD2-CD1 3.98Å; L55-I80 HydrophobicContact CD2-CG1 4.47Å; L55-I80 HydrophobicContact CD2-CG2 3.62Å; L55-P81 HydrophobicContact CD2-CG 4.43Å
56K92.4Very high92.5Very high47 Ų4727.6 Ų27.620%0.20415%0.154CC..Hα-helixtrans-60.6-59.1-179.7-178177.7-174.6163.50112.5L15 Q16 I18 I20 V54 A58 L59 L60L15-K56 WeakPolarHBondContact O-CE 3.48Å; Q16-K56 PolarHBondContact O-NZ 2.8Å; I18-K56 PolarHBondContact O-NZ 3.33Å; I20-K56 HydrophobicContact CD1-CB 3.78Å; I20-K56 HydrophobicContact CD1-CD 3.71Å; I20-K56 HydrophobicContact CD1-CG 4.37Å; I20-K56 HydrophobicContact CG1-CB 4.15Å; I20-K56 HydrophobicContact CG1-CD 3.9Å; V54-K56 PolarHBondContact O-N 3.35Å; K56-A58 VanDerWaalsContact C-N 3.33Å; K56-A58 PolarHBondContact O-N 3.37Å; K56-L59 PolarHBondContact O-N 3.37Å; K56-L60 HydrophobicContact CG-CD1 4.1Å; K56-L60 WeakPolarHBondContact O-CG 3.38Å; K56-L60 PolarHBondContact O-N 3.49Å; K56-L60 VanDerWaalsContact O-N 3.15Å
57P92.5Very high92.2Very high5 Ų522 Ų223%0.03213%0.13CC..Hα-helixtrans-63.8-38-179.824.6-34000112.4L53 V54 L60 G61 Q62 V64 I230L53-P57 VanDerWaalsContact O-CD 3.27Å; L53-P57 WeakPolarHBondContact O-CD 3.35Å; L53-P57 WeakPolarHBondContact O-CG 3.47Å; V54-P57 VanDerWaalsContact O-CD 3.25Å; V54-P57 WeakPolarHBondContact O-CD 3.47Å; V54-P57 WeakPolarHBondContact O-CG 3.43Å; P57-L60 PolarHBondContact O-N 3.38Å; P57-G61 PolarHBondContact O-N 3.17Å; P57-Q62 HydrophobicContact CB-CB 4.35Å; P57-Q62 WeakPolarHBondContact O-CB 3.11Å; P57-Q62 PolarHBondContact O-N 3.36Å; P57-V64 HydrophobicContact CB-CG2 3.94Å; P57-V64 HydrophobicContact CG-CG2 3.99Å; P57-I230 HydrophobicContact CB-CD1 3.76Å
58A95.1Very high91.7Very high2 Ų221.6 Ų21.62%0.01713%0.127CC..Hα-helixtrans-66.3-40.5179.700000112.6V54 K56 L60 G61 V64 P81 Q206 L208V54-A58 HydrophobicContact CG1-CB 4.06Å; V54-A58 WeakPolarHBondContact O-CB 3.35Å; V54-A58 PolarHBondContact O-N 2.96Å; K56-A58 VanDerWaalsContact C-N 3.33Å; K56-A58 PolarHBondContact O-N 3.37Å; A58-L60 VanDerWaalsContact C-N 3.29Å; A58-L60 PolarHBondContact O-N 3.49Å; A58-G61 PolarHBondContact O-N 2.82Å; A58-V64 HydrophobicContact CB-CG2 4.39Å; A58-P81 HydrophobicContact CB-CB 4.03Å; A58-P81 HydrophobicContact CB-CG 3.52Å; A58-Q206 PolarHBondContact O-NE2 3.4Å; A58-L208 HydrophobicContact CB-CD1 4.21Å; A58-L208 HydrophobicContact CB-CD2 4.1Å
59L94.8Very high90.9Very high18 Ų1821.4 Ų21.49%0.09413%0.127CC..Hα-helixtrans-71.3-23.3176.4-69.5167.9000113L15 L31 L55 K56 G61 I80 E84L15-L59 HydrophobicContact CD1-CB 3.71Å; L15-L59 HydrophobicContact CD2-CB 4.1Å; L15-L59 HydrophobicContact CD2-CD1 3.85Å; L31-L59 HydrophobicContact CD2-CD1 3.74Å; L31-L59 HydrophobicContact CD2-CD2 4.3Å; L55-L59 HydrophobicContact CB-CD1 4.38Å; L55-L59 HydrophobicContact CD2-CD1 4.43Å; L55-L59 WeakPolarHBondContact O-CB 3.49Å; L55-L59 WeakPolarHBondContact O-CD1 3.47Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 3.02Å; K56-L59 PolarHBondContact O-N 3.37Å; L59-G61 PolarHBondContact O-N 3.3Å; L59-I80 HydrophobicContact CD2-CG2 4.48Å; L59-E84 HydrophobicContact CD2-CB 3.79Å; L59-E84 HydrophobicContact CD2-CG 3.81Å
60L92.9Very high90.2Very high47 Ų4720 Ų2025%0.24611%0.113CC..THydrogen-bonded Turntrans-80.43.2172-70.7171.9000113.3L15 Q16 K56 P57 A58 Q62L15-L60 HydrophobicContact CB-CD2 3.91Å; L15-L60 HydrophobicContact CB-CG 4.36Å; L15-L60 HydrophobicContact CD1-CD2 4.41Å; Q16-L60 HydrophobicContact CG-CD1 4.5Å; Q16-L60 HydrophobicContact CG-CD2 4.08Å; K56-L60 HydrophobicContact CG-CD1 4.1Å; K56-L60 WeakPolarHBondContact O-CG 3.38Å; K56-L60 PolarHBondContact O-N 3.49Å; K56-L60 VanDerWaalsContact O-N 3.15Å; P57-L60 PolarHBondContact O-N 3.38Å; A58-L60 VanDerWaalsContact C-N 3.29Å; A58-L60 PolarHBondContact O-N 3.49Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 HydrophobicContact CB-CG 4.45Å
61G93.1Very high89.4Confident44 Ų4421.5 Ų21.545%0.45413%0.129SC..THydrogen-bonded Turntrans78.613.7178.800000114.7P57 A58 L59 Q206P57-G61 PolarHBondContact O-N 3.17Å; A58-G61 PolarHBondContact O-N 2.82Å; L59-G61 PolarHBondContact O-N 3.3Å; G61-Q206 VanDerWaalsContact C-NE2 3.29Å
62Q93.6Very high88.7Confident84 Ų8422.3 Ų22.339%0.39314%0.136SC..  trans-84.4145.8180-62.6172.3-34.200111.3P57 L60 Q206 I230P57-Q62 HydrophobicContact CB-CB 4.35Å; P57-Q62 WeakPolarHBondContact O-CB 3.11Å; P57-Q62 PolarHBondContact O-N 3.36Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 HydrophobicContact CB-CG 4.45Å; Q62-Q206 PolarHBondContact O-NE2 2.91Å; Q62-I230 HydrophobicContact CB-CD1 4.17Å; Q62-I230 HydrophobicContact CG-CD1 4.43Å
63D95.5Very high88.5Confident11 Ų1121.2 Ų21.26%0.05914%0.137CC..  trans-66.6137171.8-79.74.5000110.4Q206 T207 M226 R227 P229 I230D63-Q206 WeakPolarHBondContact OD1-CA 3.3Å; D63-T207 VanDerWaalsContact CA-O 3.32Å; D63-T207 WeakPolarHBondContact CA-O 3.38Å; D63-T207 PolarHBondContact OD1-N 3.16Å; D63-M226 HydrophobicContact CB-CB 4.29Å; D63-M226 HydrophobicContact CB-CE 3.72Å; D63-M226 WeakPolarHBondContact OD2-CA 3.49Å; D63-M226 VanDerWaalsContact OD2-CB 3.3Å; D63-M226 WeakPolarHBondContact OD2-CB 3.49Å; D63-R227 PolarHBondContact OD2-N 2.82Å; D63-P229 HydrophobicContact CB-CB 4.02Å; D63-P229 WeakPolarHBondContact O-CA 3.46Å; D63-I230 PolarHBondContact O-N 2.88Å
64V94.4Very high88.5Confident0 Ų020.9 Ų20.90%014%0.135CC..EExtended strand (participates in β ladder)trans-130132.1-176.3-176.40000111.1V54 P57 A58 A66 T207 L208 L209 M226 I230 V232V54-V64 HydrophobicContact CG2-CG1 4.34Å; P57-V64 HydrophobicContact CB-CG2 3.94Å; P57-V64 HydrophobicContact CG-CG2 3.99Å; A58-V64 HydrophobicContact CB-CG2 4.39Å; V64-A66 HydrophobicContact CG1-CB 4.36Å; V64-T207 PolarHBondContact N-O 3.43Å; V64-L208 HydrophobicContact CB-CD2 3.75Å; V64-L208 HydrophobicContact CG2-CD2 3.81Å; V64-L208 WeakPolarHBondContact O-CA 3.36Å; V64-L209 PolarHBondContact O-N 3.23Å; V64-M226 VanDerWaalsContact O-CE 3.28Å; V64-M226 WeakPolarHBondContact O-CE 3.38Å; V64-I230 CarbonylContact C-O 3.5Å; V64-I230 WeakPolarHBondContact CA-O 3.22Å; V64-V232 HydrophobicContact CG1-CG2 3.92Å
65V93.1Very high88.5Confident3 Ų322 Ų222%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-106.7111166.1174.20000107.7L209 L214 V222 M226 P229 I230 T231 V232V65-L209 HydrophobicContact CG1-CD2 4.25Å; V65-L209 HydrophobicContact CG2-CB 4.38Å; V65-L214 HydrophobicContact CG1-CD1 4.23Å; V65-L214 HydrophobicContact CG1-CD2 3.63Å; V65-V222 HydrophobicContact CG2-CG1 4.11Å; V65-V222 HydrophobicContact CG2-CG2 3.63Å; V65-M226 HydrophobicContact CG2-CE 3.98Å; V65-M226 HydrophobicContact CG2-SD 3.66Å; V65-P229 HydrophobicContact CG2-CB 3.99Å; V65-P229 HydrophobicContact CG2-CG 4.36Å; V65-I230 PolarHBondContact N-O 2.69Å; V65-T231 HydrophobicContact CG1-CG2 4.41Å; V65-T231 CarbonylContact O-C 3.4Å; V65-T231 WeakPolarHBondContact O-CA 3.38Å; V65-V232 PolarHBondContact O-N 2.97Å
66A91Very high88.6Confident0 Ų022.5 Ų22.50%014%0.144CC..EExtended strand (participates in β ladder)trans-110.2112.1-176.500000110.9I50 V54 V64 L209 F210 S211 V232I50-A66 HydrophobicContact CD1-CB 4.19Å; V54-A66 HydrophobicContact CG2-CB 3.87Å; V64-A66 HydrophobicContact CG1-CB 4.36Å; A66-L209 PolarHBondContact N-O 2.91Å; A66-F210 HydrophobicContact CB-CD1 3.46Å; A66-F210 VanDerWaalsContact CB-CD1 3.46Å; A66-F210 HydrophobicContact CB-CE1 3.52Å; A66-F210 HydrophobicContact CB-CG 4.25Å; A66-F210 HydrophobicContact CB-CZ 4.33Å; A66-F210 WeakPolarHBondContact O-CA 3.41Å; A66-S211 PolarHBondContact O-N 3.47Å; A66-V232 HydrophobicContact CB-CG2 3.82Å
67E86.7Confident88.7Confident18 Ų1820.2 Ų20.28%0.08413%0.134CC..EExtended strand (participates in β ladder)trans-95.2112.1171.8-173.4178.4-143.600110S211 L214 V232 S233E67-S211 WeakPolarHBondContact CA-O 3.41Å; E67-L214 HydrophobicContact CB-CD1 4Å; E67-L214 HydrophobicContact CB-CG 4Å; E67-L214 HydrophobicContact CG-CD1 4.48Å; E67-L214 HydrophobicContact CG-CG 4.13Å; E67-L214 PolarHBondContact OE1-N 3.43Å; E67-V232 PolarHBondContact N-O 3.27Å; E67-S233 PolarHBondContact OE2-OG 2.95Å
68A81.8Confident89Confident2 Ų220 Ų202%0.01713%0.132CC..  trans-154.9144.2173.600000112.4I50 S72 K74 S211 A212 V234I50-A68 HydrophobicContact CB-CB 4.17Å; I50-A68 HydrophobicContact CD1-CB 3.99Å; I50-A68 HydrophobicContact CG1-CB 3.77Å; A68-S72 VanDerWaalsContact CB-OG 3.3Å; A68-S72 WeakPolarHBondContact CB-OG 3.46Å; A68-K74 HydrophobicContact CB-CD 4.13Å; A68-K74 HydrophobicContact CB-CG 4.27Å; A68-K74 PolarHBondContact O-NZ 3.47Å; A68-S211 PolarHBondContact N-O 3.3Å; A68-A212 WeakPolarHBondContact O-CA 3.23Å; A68-V234 HydrophobicContact CB-CG2 3.79Å
69P74Confident89.1Confident49 Ų4919.9 Ų19.932%0.31813%0.132SC..  trans-63163.417827.9-35.6000111.4S72P69-S72 VanDerWaalsContact O-CB 3.3Å; P69-S72 WeakPolarHBondContact O-CB 3.36Å; P69-S72 PolarHBondContact O-N 3.38Å; P69-S72 PolarHBondContact O-OG 2.99Å
70T73Confident89.2Confident19 Ų1919 Ų1912%0.11713%0.127CC..THydrogen-bonded Turntrans-64.2143.517761.20000111.8S72 G376 R380T70-S72 VanDerWaalsContact C-N 3.31Å; T70-G376 PolarHBondContact OG1-O 3.2Å; T70-R380 PolarHBondContact OG1-NH2 3.09Å
71G72.6Confident89.4Confident33 Ų3317 Ų1734%0.3412%0.117SC..THydrogen-bonded Turntrans83.7-1-176.200000114.7G73G71-G73 PolarHBondContact O-N 3.38Å
72S79.1Confident89.7Confident23 Ų2315 Ų1516%0.16110%0.095CC..SBendtrans-70-8.5176.3540000114.5T48 I50 A68 P69 T70 K74T48-S72 VanDerWaalsContact CB-O 3.26Å; T48-S72 WeakPolarHBondContact CB-O 3.09Å; T48-S72 WeakPolarHBondContact CG2-O 3.28Å; T48-S72 PolarHBondContact OG1-O 3.23Å; I50-S72 WeakPolarHBondContact CG2-O 3.48Å; A68-S72 VanDerWaalsContact CB-OG 3.3Å; A68-S72 WeakPolarHBondContact CB-OG 3.46Å; P69-S72 VanDerWaalsContact O-CB 3.3Å; P69-S72 WeakPolarHBondContact O-CB 3.36Å; P69-S72 PolarHBondContact O-N 3.38Å; P69-S72 PolarHBondContact O-OG 2.99Å; T70-S72 VanDerWaalsContact C-N 3.31Å; S72-K74 WeakPolarHBondContact OG-CG 3.36Å
73G85.9Confident89.9Confident21 Ų2111 Ų1122%0.2168%0.077CC..SBendtrans94.519.7-179.400000115.2Q51 G71 T75 I76 A77Q51-G73 WeakPolarHBondContact CG-O 3.46Å; Q51-G73 PolarHBondContact NE2-O 3.42Å; G71-G73 PolarHBondContact O-N 3.38Å; G73-T75 VanDerWaalsContact C-N 3.28Å; G73-T75 PolarHBondContact O-N 3.04Å; G73-I76 PolarHBondContact O-N 3.4Å; G73-A77 PolarHBondContact O-N 3.1Å
74K89.7Confident90Very high13 Ų1310.7 Ų10.76%0.0578%0.075CC..Hα-helixtrans-50.4-42.3179.5-61-173.7-68.9-168.40113.7A68 S72 I76 A77 F78 E181 F210A68-K74 HydrophobicContact CB-CD 4.13Å; A68-K74 HydrophobicContact CB-CG 4.27Å; A68-K74 PolarHBondContact O-NZ 3.47Å; S72-K74 WeakPolarHBondContact OG-CG 3.36Å; K74-I76 VanDerWaalsContact C-N 3.3Å; K74-I76 PolarHBondContact O-N 2.96Å; K74-A77 WeakPolarHBondContact O-CA 3.46Å; K74-A77 VanDerWaalsContact O-CB 3.22Å; K74-A77 WeakPolarHBondContact O-CB 3.4Å; K74-A77 PolarHBondContact O-N 3.45Å; K74-F78 WeakPolarHBondContact O-CD1 3.38Å; K74-F78 PolarHBondContact O-N 3.27Å; K74-E181 IonicContact NZ-OE1 2.66Å; K74-F210 HydrophobicContact CB-CD1 3.9Å; K74-F210 HydrophobicContact CB-CE1 4.42Å; K74-F210 HydrophobicContact CD-CB 4.25Å; K74-F210 HydrophobicContact CD-CD1 4.09Å; K74-F210 HydrophobicContact CG-CD1 4.08Å
75T93.8Very high90Very high23 Ų2312.3 Ų12.314%0.1418%0.084CC..Hα-helixtrans-57.4-41.9-176.8-47.30000112.9G73 A77 F78 A79 I112 V115G73-T75 VanDerWaalsContact C-N 3.28Å; G73-T75 PolarHBondContact O-N 3.04Å; T75-A77 VanDerWaalsContact C-N 3.35Å; T75-F78 HydrophobicContact CG2-CE2 4.15Å; T75-F78 HydrophobicContact CG2-CZ 3.99Å; T75-F78 WeakPolarHBondContact O-CD2 3.38Å; T75-A79 WeakPolarHBondContact O-CB 3.07Å; T75-A79 PolarHBondContact O-N 2.89Å; T75-I112 HydrophobicContact CG2-CB 4.37Å; T75-I112 HydrophobicContact CG2-CG1 4.12Å; T75-I112 HydrophobicContact CG2-CG2 4.14Å; T75-V115 HydrophobicContact CG2-CB 3.87Å; T75-V115 HydrophobicContact CG2-CG1 3.76Å; T75-V115 HydrophobicContact CG2-CG2 4.18Å
76I95.2Very high90.2Very high10 Ų1012.2 Ų12.25%0.0518%0.083CC..Hα-helixtrans-72.6-34.2177.3-58.3177.9000110.6F26 L39 Y44 G73 K74 F78 A79 I80 V115 I119F26-I76 HydrophobicContact CE1-CG2 4.44Å; F26-I76 HydrophobicContact CZ-CG2 4.13Å; L39-I76 HydrophobicContact CD2-CG2 4.05Å; Y44-I76 HydrophobicContact CD1-CD1 3.54Å; Y44-I76 HydrophobicContact CD2-CD1 3.67Å; Y44-I76 HydrophobicContact CE1-CD1 3.52Å; Y44-I76 HydrophobicContact CE2-CD1 3.65Å; Y44-I76 HydrophobicContact CE2-CG1 4.48Å; Y44-I76 HydrophobicContact CG-CD1 3.62Å; G73-I76 PolarHBondContact O-N 3.4Å; K74-I76 VanDerWaalsContact C-N 3.3Å; K74-I76 PolarHBondContact O-N 2.96Å; I76-F78 PolarHBondContact O-N 3.14Å; I76-A79 PolarHBondContact O-N 3.39Å; I76-I80 HydrophobicContact CG2-CD1 3.59Å; I76-I80 HydrophobicContact CG2-CG1 4.05Å; I76-I80 PolarHBondContact O-N 3.09Å; I76-I80 VanDerWaalsContact O-N 3.11Å; I76-V115 HydrophobicContact CG1-CG1 4.3Å; I76-I119 HydrophobicContact CD1-CD1 4.47Å; I76-I119 HydrophobicContact CG1-CD1 3.93Å; I76-I119 HydrophobicContact CG2-CD1 4.38Å
77A95.7Very high90.5Very high0 Ų015.6 Ų15.60%010%0.099CC..Hα-helixtrans-59.5-33179.700000112.6Q51 V54 G73 K74 T75 P81 F210Q51-A77 HydrophobicContact CB-CB 4.4Å; Q51-A77 HydrophobicContact CG-CB 3.83Å; V54-A77 HydrophobicContact CB-CB 4.1Å; V54-A77 HydrophobicContact CG1-CB 4.04Å; V54-A77 HydrophobicContact CG2-CB 4.48Å; G73-A77 PolarHBondContact O-N 3.1Å; K74-A77 WeakPolarHBondContact O-CA 3.46Å; K74-A77 VanDerWaalsContact O-CB 3.22Å; K74-A77 WeakPolarHBondContact O-CB 3.4Å; K74-A77 PolarHBondContact O-N 3.45Å; T75-A77 VanDerWaalsContact C-N 3.35Å; A77-P81 WeakPolarHBondContact O-CD 3.39Å; A77-P81 VanDerWaalsContact O-CG 3.3Å; A77-P81 WeakPolarHBondContact O-CG 3.46Å; A77-F210 HydrophobicContact CB-CE1 4.27Å
78F96.9Very high90.8Very high0 Ų017.6 Ų17.60%011%0.108CC..Hα-helixtrans-99.6-22.3172.961.2-111.2000114.7K74 T75 I76 P81 V82 I101 I112 F116 I178 D180 L208 F210K74-F78 WeakPolarHBondContact O-CD1 3.38Å; K74-F78 PolarHBondContact O-N 3.27Å; T75-F78 HydrophobicContact CG2-CE2 4.15Å; T75-F78 HydrophobicContact CG2-CZ 3.99Å; T75-F78 WeakPolarHBondContact O-CD2 3.38Å; I76-F78 PolarHBondContact O-N 3.14Å; F78-P81 WeakPolarHBondContact O-CD 3.28Å; F78-V82 VanDerWaalsContact O-CG2 3.28Å; F78-V82 WeakPolarHBondContact O-CG2 2.98Å; F78-V82 PolarHBondContact O-N 2.83Å; F78-I101 HydrophobicContact CE2-CG2 4.17Å; F78-I101 HydrophobicContact CZ-CG2 4.5Å; F78-I112 HydrophobicContact CE2-CG2 3.99Å; F78-I112 HydrophobicContact CZ-CD1 4.18Å; F78-I112 HydrophobicContact CZ-CG1 4.4Å; F78-I112 HydrophobicContact CZ-CG2 4.32Å; F78-F116 HydrophobicContact CD2-CE2 4.05Å; F78-F116 HydrophobicContact CD2-CZ 4.2Å; F78-F116 AromaticContact CE2-CE2 3.82Å; F78-F116 HydrophobicContact CE2-CE2 3.82Å; F78-F116 HydrophobicContact CE2-CZ 4.38Å; F78-I178 HydrophobicContact CB-CD1 3.78Å; F78-I178 HydrophobicContact CB-CG1 4.21Å; F78-I178 HydrophobicContact CB-CG2 4.25Å; F78-I178 HydrophobicContact CD1-CG2 4.05Å; F78-I178 HydrophobicContact CD2-CD1 3.73Å; F78-I178 HydrophobicContact CD2-CG2 4.03Å; F78-I178 HydrophobicContact CE1-CG2 4.3Å; F78-I178 HydrophobicContact CE2-CG2 4.27Å; F78-I178 HydrophobicContact CG-CD1 4.06Å; F78-I178 HydrophobicContact CG-CG2 3.9Å; F78-I178 HydrophobicContact CZ-CG2 4.4Å; F78-D180 HydrophobicContact CE1-CB 4.37Å; F78-D180 HydrophobicContact CZ-CB 4.45Å; F78-L208 HydrophobicContact CB-CD1 4.2Å; F78-F210 HydrophobicContact CB-CD2 4.49Å; F78-F210 HydrophobicContact CB-CE2 3.55Å; F78-F210 HydrophobicContact CB-CZ 3.7Å; F78-F210 HydrophobicContact CD1-CD1 4.34Å; F78-F210 AromaticContact CD1-CD2 3.66Å; F78-F210 HydrophobicContact CD1-CD2 3.66Å; F78-F210 HydrophobicContact CD1-CE1 4.18Å; F78-F210 AromaticContact CD1-CE2 3.49Å; F78-F210 HydrophobicContact CD1-CE2 3.49Å; F78-F210 VanDerWaalsContact CD1-CE2 3.49Å; F78-F210 HydrophobicContact CD1-CG 4.1Å; F78-F210 AromaticContact CD1-CZ 3.77Å; F78-F210 HydrophobicContact CD1-CZ 3.77Å; F78-F210 HydrophobicContact CE1-CD2 4.28Å; F78-F210 HydrophobicContact CE1-CG 4.49Å; F78-F210 HydrophobicContact CG-CD2 4.46Å; F78-F210 AromaticContact CG-CE2 3.94Å; F78-F210 HydrophobicContact CG-CE2 3.94Å; F78-F210 HydrophobicContact CG-CZ 4.25Å
79A97.6Very high91.3Very high0 Ų021.3 Ų21.30%013%0.127CC..Hα-helixtrans-64.9-40.9175.500000112.3T75 I76 V82 L83 F116T75-A79 WeakPolarHBondContact O-CB 3.07Å; T75-A79 PolarHBondContact O-N 2.89Å; I76-A79 PolarHBondContact O-N 3.39Å; A79-V82 PolarHBondContact O-N 3.42Å; A79-L83 WeakPolarHBondContact O-CG 3.39Å; A79-L83 PolarHBondContact O-N 3.34Å; A79-L83 VanDerWaalsContact O-N 3.08Å; A79-F116 VanDerWaalsContact CA-CZ 3.46Å; A79-F116 HydrophobicContact CB-CD1 4.5Å; A79-F116 HydrophobicContact CB-CD2 4.09Å; A79-F116 HydrophobicContact CB-CE1 4.08Å; A79-F116 HydrophobicContact CB-CE2 3.62Å; A79-F116 HydrophobicContact CB-CZ 3.65Å
80I97.7Very high92.3Very high0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-61.6-53.3179.4-68.3168.1000111.3F26 L31 T35 L39 L55 L59 I76 V82 L83 E84F26-I80 HydrophobicContact CD1-CD1 3.88Å; F26-I80 HydrophobicContact CE1-CD1 3.55Å; F26-I80 HydrophobicContact CZ-CD1 4.36Å; L31-I80 HydrophobicContact CD1-CD1 4.45Å; L31-I80 HydrophobicContact CD1-CG2 3.93Å; L31-I80 HydrophobicContact CD2-CG2 3.55Å; L31-I80 HydrophobicContact CG-CG2 4.39Å; T35-I80 HydrophobicContact CG2-CG1 4.34Å; T35-I80 HydrophobicContact CG2-CG2 4.44Å; L39-I80 HydrophobicContact CD1-CD1 3.87Å; L39-I80 HydrophobicContact CD1-CG1 4.28Å; L39-I80 HydrophobicContact CD2-CD1 4.22Å; L39-I80 HydrophobicContact CD2-CG1 4.43Å; L55-I80 HydrophobicContact CD1-CD1 4.41Å; L55-I80 HydrophobicContact CD2-CB 3.73Å; L55-I80 HydrophobicContact CD2-CD1 3.98Å; L55-I80 HydrophobicContact CD2-CG1 4.47Å; L55-I80 HydrophobicContact CD2-CG2 3.62Å; L59-I80 HydrophobicContact CD2-CG2 4.48Å; I76-I80 HydrophobicContact CG2-CD1 3.59Å; I76-I80 HydrophobicContact CG2-CG1 4.05Å; I76-I80 PolarHBondContact O-N 3.09Å; I76-I80 VanDerWaalsContact O-N 3.11Å; I80-V82 VanDerWaalsContact C-N 3.28Å; I80-V82 PolarHBondContact O-N 3.05Å; I80-L83 PolarHBondContact O-N 3Å; I80-L83 VanDerWaalsContact O-N 3.11Å; I80-E84 HydrophobicContact CG2-CG 4.16Å; I80-E84 WeakPolarHBondContact O-CG 3.25Å; I80-E84 PolarHBondContact O-N 2.94Å
81P97.5Very high93.3Very high5 Ų527.7 Ų27.73%0.03215%0.15CC..Hα-helixtrans-53.9-39.6175.5-28.534.2000114.3L55 A58 A77 F78 L85 L208L55-P81 HydrophobicContact CD2-CG 4.43Å; A58-P81 HydrophobicContact CB-CB 4.03Å; A58-P81 HydrophobicContact CB-CG 3.52Å; A77-P81 WeakPolarHBondContact O-CD 3.39Å; A77-P81 VanDerWaalsContact O-CG 3.3Å; A77-P81 WeakPolarHBondContact O-CG 3.46Å; F78-P81 WeakPolarHBondContact O-CD 3.28Å; P81-L85 WeakPolarHBondContact O-CB 3.22Å; P81-L85 PolarHBondContact O-N 3.16Å; P81-L208 HydrophobicContact CB-CD1 4.46Å
82V98.2Very high94.3Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-60.2-51.3175.41740000110.9F78 A79 I80 E84 L85 L86 A99 F116 I151 L176 I178F78-V82 VanDerWaalsContact O-CG2 3.28Å; F78-V82 WeakPolarHBondContact O-CG2 2.98Å; F78-V82 PolarHBondContact O-N 2.83Å; A79-V82 PolarHBondContact O-N 3.42Å; I80-V82 VanDerWaalsContact C-N 3.28Å; I80-V82 PolarHBondContact O-N 3.05Å; V82-E84 PolarHBondContact O-N 3.31Å; V82-L85 PolarHBondContact O-N 2.98Å; V82-L86 HydrophobicContact CG1-CD1 4.08Å; V82-L86 WeakPolarHBondContact O-CD1 3.4Å; V82-L86 PolarHBondContact O-N 3.05Å; V82-A99 HydrophobicContact CG1-CB 3.66Å; V82-A99 HydrophobicContact CG2-CB 4.29Å; V82-F116 HydrophobicContact CB-CE1 3.92Å; V82-F116 HydrophobicContact CB-CZ 4.23Å; V82-F116 HydrophobicContact CG1-CE1 3.8Å; V82-F116 HydrophobicContact CG1-CZ 4.45Å; V82-F116 HydrophobicContact CG2-CE1 4.25Å; V82-F116 HydrophobicContact CG2-CZ 4.1Å; V82-I151 HydrophobicContact CG1-CD1 3.85Å; V82-I151 HydrophobicContact CG1-CG1 3.99Å; V82-I151 HydrophobicContact CG1-CG2 4.49Å; V82-L176 HydrophobicContact CB-CD2 4.18Å; V82-L176 HydrophobicContact CG2-CD2 3.43Å; V82-L176 VanDerWaalsContact CG2-CD2 3.43Å; V82-L176 HydrophobicContact CG2-CG 4.41Å; V82-I178 HydrophobicContact CG2-CD1 3.34Å
83L98Very high95Very high0 Ų030.8 Ų30.80%016%0.159CC..Hα-helixtrans-65.8-40.9-176-64.4176.5000112.2A79 I80 L86 H87 I119 A120 F125 I151A79-L83 WeakPolarHBondContact O-CG 3.39Å; A79-L83 PolarHBondContact O-N 3.34Å; A79-L83 VanDerWaalsContact O-N 3.08Å; I80-L83 PolarHBondContact O-N 3Å; I80-L83 VanDerWaalsContact O-N 3.11Å; L83-L86 PolarHBondContact O-N 3.13Å; L83-H87 VanDerWaalsContact O-CB 3.26Å; L83-H87 WeakPolarHBondContact O-CB 3.5Å; L83-H87 PolarHBondContact O-N 2.9Å; L83-I119 HydrophobicContact CD1-CB 4.28Å; L83-I119 HydrophobicContact CD1-CG2 3.72Å; L83-A120 HydrophobicContact CD1-CB 4.11Å; L83-A120 HydrophobicContact CD2-CB 3.61Å; L83-F125 HydrophobicContact CD2-CD2 3.93Å; L83-F125 HydrophobicContact CD2-CE2 4.26Å; L83-I151 HydrophobicContact CD2-CD1 4.21Å
84E97.4Very high95.3Very high5 Ų538 Ų382%0.02319%0.185CC..Hα-helixtrans-66.3-41.1177.1-66.4-56.8128.400111.9L31 S32 T35 L59 I80 V82 L86 H87 Q88L31-E84 HydrophobicContact CD2-CG 3.85Å; S32-E84 WeakPolarHBondContact CB-OE1 3.38Å; S32-E84 VanDerWaalsContact N-CD 3.29Å; S32-E84 PolarHBondContact N-OE1 2.82Å; S32-E84 PolarHBondContact N-OE2 2.77Å; T35-E84 WeakPolarHBondContact CB-OE1 3.39Å; T35-E84 PolarHBondContact OG1-OE1 2.77Å; L59-E84 HydrophobicContact CD2-CB 3.79Å; L59-E84 HydrophobicContact CD2-CG 3.81Å; I80-E84 HydrophobicContact CG2-CG 4.16Å; I80-E84 WeakPolarHBondContact O-CG 3.25Å; I80-E84 PolarHBondContact O-N 2.94Å; V82-E84 PolarHBondContact O-N 3.31Å; E84-L86 PolarHBondContact O-N 3.4Å; E84-H87 PolarHBondContact O-N 3.44Å; E84-Q88 WeakPolarHBondContact O-CB 3.29Å; E84-Q88 WeakPolarHBondContact O-CG 3.41Å; E84-Q88 PolarHBondContact O-N 3.04Å
85L96Very high95.5Very high35 Ų3540.5 Ų40.518%0.18320%0.199CC..Hα-helixtrans-60-46.9175.9-178.472.8000111.4P81 V82 N89 K175 L176P81-L85 WeakPolarHBondContact O-CB 3.22Å; P81-L85 PolarHBondContact O-N 3.16Å; V82-L85 PolarHBondContact O-N 2.98Å; L85-N89 WeakPolarHBondContact CD1-ND2 3.4Å; L85-N89 WeakPolarHBondContact O-CB 3.43Å; L85-N89 PolarHBondContact O-N 3.35Å; L85-N89 VanDerWaalsContact O-N 3.17Å; L85-N89 PolarHBondContact O-ND2 3.24Å; L85-K175 HydrophobicContact CD2-CB 3.8Å; L85-L176 HydrophobicContact CD2-CB 3.7Å; L85-L176 HydrophobicContact CD2-CD2 4.19Å
86L96.9Very high95.6Very high0 Ų039.7 Ų39.70%020%0.195CC..Hα-helixtrans-65.5-40.1178.4-89.166.8000111.6V82 L83 E84 K90 V91 V98 A99 F125 N150 I151V82-L86 HydrophobicContact CG1-CD1 4.08Å; V82-L86 WeakPolarHBondContact O-CD1 3.4Å; V82-L86 PolarHBondContact O-N 3.05Å; L83-L86 PolarHBondContact O-N 3.13Å; E84-L86 PolarHBondContact O-N 3.4Å; L86-K90 PolarHBondContact O-N 2.65Å; L86-V91 HydrophobicContact CB-CB 4.2Å; L86-V91 HydrophobicContact CB-CG2 4.24Å; L86-V91 HydrophobicContact CG-CB 4.09Å; L86-V91 HydrophobicContact CG-CG1 4.25Å; L86-V91 HydrophobicContact CG-CG2 4.07Å; L86-V91 PolarHBondContact O-N 2.98Å; L86-V98 HydrophobicContact CD1-CB 4.12Å; L86-V98 HydrophobicContact CD1-CG1 3.85Å; L86-V98 HydrophobicContact CG-CB 4.47Å; L86-V98 HydrophobicContact CG-CG1 4.44Å; L86-A99 HydrophobicContact CD1-CB 4.32Å; L86-F125 HydrophobicContact CB-CD1 4.1Å; L86-F125 HydrophobicContact CB-CD2 4.03Å; L86-F125 HydrophobicContact CB-CE1 3.79Å; L86-F125 HydrophobicContact CB-CE2 3.69Å; L86-F125 HydrophobicContact CB-CG 4.24Å; L86-F125 HydrophobicContact CB-CZ 3.6Å; L86-F125 HydrophobicContact CD2-CB 4.09Å; L86-F125 HydrophobicContact CD2-CD1 4.08Å; L86-F125 HydrophobicContact CD2-CD2 3.96Å; L86-F125 HydrophobicContact CD2-CE2 4.48Å; L86-F125 HydrophobicContact CD2-CG 3.77Å; L86-N150 HydrophobicContact CD2-CB 3.74Å; L86-I151 HydrophobicContact CD2-CD1 3.93Å; L86-I151 HydrophobicContact CD2-CG1 3.64Å
87H96Very high95.6Very high71 Ų7139.3 Ų39.333%0.32919%0.193SC..Hα-helixtrans-64.8-47.7178.9-177.487.2000112.1E34 L83 E84 N89 K90 H123 F125E34-H87 IonicContact OE2-CE1 3.41Å; E34-H87 PolarHBondContact OE2-CE1 3.44Å; E34-H87 IonicContact OE2-ND1 3.64Å; E34-H87 IonicContact OE2-NE2 3.97Å; L83-H87 VanDerWaalsContact O-CB 3.26Å; L83-H87 WeakPolarHBondContact O-CB 3.5Å; L83-H87 PolarHBondContact O-N 2.9Å; E84-H87 PolarHBondContact O-N 3.44Å; H87-N89 VanDerWaalsContact C-N 3.32Å; H87-N89 PolarHBondContact O-N 3.29Å; H87-K90 PolarHBondContact O-N 3.32Å; H87-K90 VanDerWaalsContact O-N 3.1Å; H87-H123 AromaticContact ND1-CE1 3.71Å; H87-H123 AromaticContact ND1-ND1 3.82Å; H87-F125 HydrophobicContact CB-CZ 3.97Å
88Q93.3Very high95.7Very high60 Ų6039.6 Ų39.628%0.2820%0.195SC..Hα-helixtrans-64.1-37.3-179.4-71.1170.912.700112.3E84 K90E84-Q88 WeakPolarHBondContact O-CB 3.29Å; E84-Q88 WeakPolarHBondContact O-CG 3.41Å; E84-Q88 PolarHBondContact O-N 3.04Å; Q88-K90 VanDerWaalsContact C-N 3.26Å; Q88-K90 PolarHBondContact O-N 3.15Å
89N93.5Very high95.8Very high80 Ų8039.6 Ų39.643%0.42820%0.195SC..THydrogen-bonded Turntrans-84.44177.3-68-67.4000113.4L85 H87 V91L85-N89 WeakPolarHBondContact CD1-ND2 3.4Å; L85-N89 WeakPolarHBondContact O-CB 3.43Å; L85-N89 PolarHBondContact O-N 3.35Å; L85-N89 VanDerWaalsContact O-N 3.17Å; L85-N89 PolarHBondContact O-ND2 3.24Å; H87-N89 VanDerWaalsContact C-N 3.32Å; H87-N89 PolarHBondContact O-N 3.29Å; N89-V91 HydrophobicContact CB-CG2 3.93Å; N89-V91 PolarHBondContact O-N 2.97Å
90K93.6Very high95.8Very high184 Ų18439.6 Ų39.680%0.820%0.195SC*.THydrogen-bonded Turntrans51.240.9-179.7-57.6-180-178.6176.80112.9L86 H87 Q88 S92L86-K90 PolarHBondContact O-N 2.65Å; H87-K90 PolarHBondContact O-N 3.32Å; H87-K90 VanDerWaalsContact O-N 3.1Å; Q88-K90 VanDerWaalsContact C-N 3.26Å; Q88-K90 PolarHBondContact O-N 3.15Å; K90-S92 PolarHBondContact O-N 2.89Å
91V95.2Very high95.9Very high18 Ų1839.6 Ų39.611%0.10920%0.195CC..  trans-61.4129.6-174.9175.40000110.6L86 N89 D95 V98 N150L86-V91 HydrophobicContact CB-CB 4.2Å; L86-V91 HydrophobicContact CB-CG2 4.24Å; L86-V91 HydrophobicContact CG-CB 4.09Å; L86-V91 HydrophobicContact CG-CG1 4.25Å; L86-V91 HydrophobicContact CG-CG2 4.07Å; L86-V91 PolarHBondContact O-N 2.98Å; N89-V91 HydrophobicContact CB-CG2 3.93Å; N89-V91 PolarHBondContact O-N 2.97Å; V91-D95 HydrophobicContact CG1-CB 4.12Å; V91-V98 HydrophobicContact CG1-CG2 3.78Å; V91-V98 HydrophobicContact CG2-CG1 4.38Å; V91-V98 HydrophobicContact CG2-CG2 4.04Å; V91-N150 HydrophobicContact CG1-CB 4.07Å; V91-N150 WeakPolarHBondContact CG1-ND2 3.42Å
92S94.1Very high95.8Very high47 Ų4739.4 Ų39.433%0.32919%0.194SC..  trans-106.9169.1174.778.70000110.8K90 F94 D95 N150K90-S92 PolarHBondContact O-N 2.89Å; S92-F94 PolarHBondContact O-N 3.05Å; S92-F94 VanDerWaalsContact O-N 3.08Å; S92-F94 PolarHBondContact OG-N 3.4Å; S92-D95 WeakPolarHBondContact CA-OD2 3.5Å; S92-D95 WeakPolarHBondContact CB-OD2 3.07Å; S92-D95 PolarHBondContact N-OD2 2.86Å; S92-D95 PolarHBondContact O-N 3Å; S92-D95 PolarHBondContact OG-OD2 3.19Å; S92-N150 PolarHBondContact O-ND2 3.44Å
93M92.2Very high95.6Very high74 Ų7439.4 Ų39.437%0.36519%0.194SC..THydrogen-bonded Turntrans-62.5-14.5174.966-178.3-70.200114.4T126 R148M93-T126 HydrophobicContact CB-CG2 4.03Å; M93-R148 HydrophobicContact CE-CB 4.24Å; M93-R148 HydrophobicContact CE-CG 4.05Å; M93-R148 WeakPolarHBondContact O-CA 3.42Å
94F93.2Very high95.2Very high174 Ų17439.7 Ų39.776%0.76320%0.195SC*.THydrogen-bonded Turntrans-87.1-17.6-179-59.8-72.9000113.2S92 G96S92-F94 PolarHBondContact O-N 3.05Å; S92-F94 VanDerWaalsContact O-N 3.08Å; S92-F94 PolarHBondContact OG-N 3.4Å; F94-G96 PolarHBondContact O-N 2.9Å
95D94.3Very high94.7Very high65 Ų6539.8 Ų39.835%0.34820%0.197SC..SBendtrans-73.9-13176.8-60-69.6000112.6V91 S92 V98 N173V91-D95 HydrophobicContact CG1-CB 4.12Å; S92-D95 WeakPolarHBondContact CA-OD2 3.5Å; S92-D95 WeakPolarHBondContact CB-OD2 3.07Å; S92-D95 PolarHBondContact N-OD2 2.86Å; S92-D95 PolarHBondContact O-N 3Å; S92-D95 PolarHBondContact OG-OD2 3.19Å; D95-V98 HydrophobicContact CB-CG2 4.48Å; D95-N173 PolarHBondContact O-ND2 3.09Å
96G94.5Very high94.4Very high6 Ų641.9 Ų41.96%0.06220%0.202CC..  trans66.7-157.7-177.800000113.3F94 V98 S147 A149 N150F94-G96 PolarHBondContact O-N 2.9Å; G96-V98 PolarHBondContact O-N 2.98Å; G96-S147 WeakPolarHBondContact CA-O 3.1Å; G96-A149 CarbonylContact C-O 3.52Å; G96-N150 WeakPolarHBondContact O-CA 3.37Å; G96-N150 PolarHBondContact O-ND2 3.33Å; G96-N150 VanDerWaalsContact O-ND2 3.09Å
97P96.8Very high93.9Very high1 Ų142.1 Ų42.11%0.00620%0.203CC..  trans-62.5114.2-179.1-2433.3000113.7A149 L152 L169 D170P97-A149 WeakPolarHBondContact CA-O 3.4Å; P97-A149 WeakPolarHBondContact CG-O 3.24Å; P97-A149 VanDerWaalsContact N-O 3.15Å; P97-L152 HydrophobicContact CB-CD1 3.81Å; P97-L152 HydrophobicContact CB-CG 4.1Å; P97-L152 HydrophobicContact CG-CD1 3.72Å; P97-L152 HydrophobicContact CG-CG 4.16Å; P97-L169 HydrophobicContact CG-CD1 3.98Å; P97-D170 WeakPolarHBondContact CD-O 3.3Å
98V97.8Very high93.6Very high6 Ų639 Ų394%0.03619%0.189CC..  trans-105.5-26.1174.9177.80000111.5L86 V91 D95 G96 N150 K175 L176L86-V98 HydrophobicContact CD1-CB 4.12Å; L86-V98 HydrophobicContact CD1-CG1 3.85Å; L86-V98 HydrophobicContact CG-CB 4.47Å; L86-V98 HydrophobicContact CG-CG1 4.44Å; V91-V98 HydrophobicContact CG1-CG2 3.78Å; V91-V98 HydrophobicContact CG2-CG1 4.38Å; V91-V98 HydrophobicContact CG2-CG2 4.04Å; D95-V98 HydrophobicContact CB-CG2 4.48Å; G96-V98 PolarHBondContact O-N 2.98Å; V98-N150 PolarHBondContact N-O 3.4Å; V98-K175 HydrophobicContact CG1-CB 4.02Å; V98-K175 HydrophobicContact CG1-CG 4.08Å; V98-K175 PolarHBondContact O-N 2.72Å; V98-L176 PolarHBondContact O-N 2.67Å
99A98.3Very high93.6Very high0 Ų036.1 Ų36.10%018%0.176CC..EExtended strand (participates in β ladder)trans-131.2137.117600000112.5V82 L86 N150 I151 L152 L176V82-A99 HydrophobicContact CG1-CB 3.66Å; V82-A99 HydrophobicContact CG2-CB 4.29Å; L86-A99 HydrophobicContact CD1-CB 4.32Å; A99-N150 PolarHBondContact N-O 2.85Å; A99-N150 VanDerWaalsContact N-O 3.09Å; A99-I151 WeakPolarHBondContact O-CA 3.2Å; A99-L152 PolarHBondContact O-N 3.35Å; A99-L176 VanDerWaalsContact CA-O 3.31Å; A99-L176 WeakPolarHBondContact CA-O 3.43Å; A99-L176 HydrophobicContact CB-CB 4.38Å
100I98.4Very high93.5Very high1 Ų135.1 Ų35.11%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-123.4131.3173.9-67.6171.4000109.4L102 L152 M159 T171 L174 L176 L177 I178 L201I100-L102 HydrophobicContact CG2-CD2 4.04Å; I100-L102 HydrophobicContact CG2-CG 4.03Å; I100-L152 CarbonylContact C-O 3.43Å; I100-L152 WeakPolarHBondContact CA-O 3.28Å; I100-L152 HydrophobicContact CG1-CB 4.13Å; I100-L152 HydrophobicContact CG1-CD1 4.23Å; I100-M159 HydrophobicContact CD1-CE 3.91Å; I100-M159 HydrophobicContact CD1-SD 4.32Å; I100-T171 HydrophobicContact CD1-CG2 4.05Å; I100-L174 HydrophobicContact CB-CD1 4.04Å; I100-L174 HydrophobicContact CD1-CD1 3.71Å; I100-L174 HydrophobicContact CD1-CD2 4.17Å; I100-L174 HydrophobicContact CG1-CD1 3.58Å; I100-L176 PolarHBondContact N-O 3.03Å; I100-L177 HydrophobicContact CB-CD1 4.1Å; I100-L177 HydrophobicContact CG2-CD1 3.97Å; I100-L177 CarbonylContact O-C 3.53Å; I100-L177 WeakPolarHBondContact O-CA 3.4Å; I100-I178 PolarHBondContact O-N 3.06Å; I100-L201 HydrophobicContact CD1-CD1 4.45Å; I100-L201 HydrophobicContact CD1-CD2 3.87Å
101I98.3Very high93.3Very high0 Ų027.7 Ų27.70%013%0.134CC..EExtended strand (participates in β ladder)trans-117.6115.2173.1-56.496.8000108.9F78 I112 F116 I151 L152 I153 G154 I178F78-I101 HydrophobicContact CE2-CG2 4.17Å; F78-I101 HydrophobicContact CZ-CG2 4.5Å; I101-I112 HydrophobicContact CG2-CD1 4.27Å; I101-I112 HydrophobicContact CG2-CG2 4.37Å; I101-F116 HydrophobicContact CD1-CE1 4.48Å; I101-F116 HydrophobicContact CD1-CZ 4.02Å; I101-F116 HydrophobicContact CG1-CZ 4.48Å; I101-I151 HydrophobicContact CD1-CG2 3.5Å; I101-L152 PolarHBondContact N-O 2.79Å; I101-I153 HydrophobicContact CB-CG1 4.3Å; I101-I153 HydrophobicContact CB-CG2 4.35Å; I101-I153 HydrophobicContact CD1-CG1 3.81Å; I101-I153 WeakPolarHBondContact O-CA 3.5Å; I101-G154 PolarHBondContact O-N 2.91Å; I101-I178 WeakPolarHBondContact CA-O 3.48Å; I101-I178 HydrophobicContact CB-CB 4.3Å; I101-I178 HydrophobicContact CD1-CD1 4.32Å; I101-I178 HydrophobicContact CG1-CB 3.87Å; I101-I178 HydrophobicContact CG1-CD1 3.57Å; I101-I178 HydrophobicContact CG1-CG1 4.26Å; I101-I178 HydrophobicContact CG1-CG2 4.46Å; I101-I178 HydrophobicContact CG2-CB 4.15Å; I101-I178 HydrophobicContact CG2-CG2 4.03Å
102L97.2Very high93.3Very high0 Ų026.9 Ų26.90%013%0.129CC..EExtended strand (participates in β ladder)trans-100.9136.7175.9-63.2178.5000110.8I100 G154 M159 L177 I178 L179 D180 L185 L194 I197I100-L102 HydrophobicContact CG2-CD2 4.04Å; I100-L102 HydrophobicContact CG2-CG 4.03Å; L102-G154 WeakPolarHBondContact CA-O 3.45Å; L102-M159 HydrophobicContact CD2-CB 3.99Å; L102-M159 HydrophobicContact CD2-CG 4.1Å; L102-L177 HydrophobicContact CD1-CD1 4.41Å; L102-I178 PolarHBondContact N-O 2.88Å; L102-L179 HydrophobicContact CB-CD2 3.99Å; L102-L179 HydrophobicContact CD1-CD2 3.85Å; L102-L179 HydrophobicContact CG-CD2 4.3Å; L102-D180 PolarHBondContact O-N 3.28Å; L102-L185 HydrophobicContact CB-CD1 4.31Å; L102-L194 HydrophobicContact CD1-CD1 3.77Å; L102-I197 HydrophobicContact CD1-CD1 4.15Å; L102-I197 HydrophobicContact CD1-CG2 4.01Å; L102-I197 HydrophobicContact CD2-CD1 4.49Å
103T93.8Very high93.4Very high0 Ų026.9 Ų26.90%012%0.123CC..  trans-144.5146.3179.6175.40000110.8T105 L108 S109 I112 G154 T155 P156T103-T105 VanDerWaalsContact C-N 3.3Å; T103-T105 PolarHBondContact O-N 3.33Å; T103-L108 WeakPolarHBondContact OG1-CB 3.26Å; T103-L108 WeakPolarHBondContact OG1-CD2 3.33Å; T103-L108 WeakPolarHBondContact OG1-CG 3.47Å; T103-S109 VanDerWaalsContact CG2-CB 3.48Å; T103-I112 HydrophobicContact CG2-CD1 4.31Å; T103-G154 PolarHBondContact N-O 2.73Å; T103-T155 WeakPolarHBondContact O-CA 3.15Å; T103-P156 WeakPolarHBondContact O-CD 2.98Å
104P88.8Confident93.5Very high6 Ų626.1 Ų26.14%0.03913%0.125CC..SBendtrans-68.5-22.3-172.427.1-39.4000114.5D180 E181 R184 L185 F190P104-D180 WeakPolarHBondContact CD-O 3.4Å; P104-E181 HydrophobicContact CG-CB 3.83Å; P104-R184 HydrophobicContact CB-CB 4.02Å; P104-R184 HydrophobicContact CG-CB 3.92Å; P104-L185 HydrophobicContact CB-CD2 4.32Å; P104-F190 HydrophobicContact CB-CE2 4.32Å
105T87Confident93.5Very high8 Ų818.6 Ų18.65%0.0499%0.093CC..  trans-126.2149.4-174.5700000113.2T103 E107 L108 S109 R349T103-T105 VanDerWaalsContact C-N 3.3Å; T103-T105 PolarHBondContact O-N 3.33Å; T105-E107 VanDerWaalsContact C-N 3.27Å; T105-E107 PolarHBondContact O-N 3.34Å; T105-L108 PolarHBondContact O-N 2.99Å; T105-L108 VanDerWaalsContact OG1-CB 3.23Å; T105-L108 WeakPolarHBondContact OG1-CB 3.33Å; T105-L108 PolarHBondContact OG1-N 2.85Å; T105-S109 PolarHBondContact O-N 2.95Å; T105-R349 HydrophobicContact CG2-CB 3.75Å; T105-R349 WeakPolarHBondContact CG2-O 3.38Å; T105-R349 PolarHBondContact OG1-O 3.38Å
106R88.7Confident93.6Very high79 Ų7915.5 Ų15.530%0.2988%0.077SC..Hα-helixtrans-65.9-36.3178.3-61.2174.4-178.4169.2-1.9110.9S109 R110 M131 G132 T155R106-S109 PolarHBondContact O-N 3.16Å; R106-R110 PolarHBondContact O-N 2.83Å; R106-M131 VanDerWaalsContact C-SD 3.57Å; R106-M131 WeakPolarHBondContact CA-SD 3.38Å; R106-M131 HydrophobicContact CB-CB 4.47Å; R106-M131 HydrophobicContact CB-CG 4.4Å; R106-M131 HydrophobicContact CB-SD 3.63Å; R106-M131 HydrophobicContact CG-CB 4.11Å; R106-M131 HydrophobicContact CG-CG 4.4Å; R106-M131 HydrophobicContact CG-SD 4.25Å; R106-G132 WeakPolarHBondContact CD-O 3.44Å; R106-G132 PolarHBondContact NE-O 3.01Å; R106-T155 HydrophobicContact CG-CG2 3.92Å
107E86.8Confident93.7Very high4 Ų416.4 Ų16.42%0.0198%0.083CC..Hα-helixtrans-69.1-42.4179-64.272.2-15700112.4T105 S109 R110 Q111 Q322 R325 F326 L351T105-E107 VanDerWaalsContact C-N 3.27Å; T105-E107 PolarHBondContact O-N 3.34Å; E107-S109 VanDerWaalsContact C-N 3.34Å; E107-R110 PolarHBondContact O-N 3.42Å; E107-Q111 PolarHBondContact O-N 3.24Å; E107-Q322 PolarHBondContact OE1-NE2 2.92Å; E107-R325 IonicContact OE1-CZ 3.42Å; E107-R325 IonicContact OE1-NE 3.22Å; E107-R325 PolarHBondContact OE1-NE 2.86Å; E107-R325 VanDerWaalsContact OE1-NE 3.13Å; E107-R325 IonicContact OE1-NH1 3.69Å; E107-R325 PolarHBondContact OE1-NH1 2.96Å; E107-R325 IonicContact OE1-NH2 3.78Å; E107-R325 PolarHBondContact OE1-NH2 3.31Å; E107-R325 IonicContact OE2-CZ 2.79Å; E107-R325 IonicContact OE2-NH1 3.69Å; E107-R325 IonicContact OE2-NH2 3.63Å; E107-R325 PolarHBondContact OE2-NH2 3.49Å; E107-F326 HydrophobicContact CG-CD1 4.28Å; E107-F326 HydrophobicContact CG-CE1 4.04Å; E107-L351 HydrophobicContact CB-CD2 3.08Å; E107-L351 HydrophobicContact CB-CG 4.48Å; E107-L351 HydrophobicContact CG-CD2 3.83Å
108L89.5Confident93.6Very high6 Ų621.1 Ų21.13%0.03110%0.104CC..Hα-helixtrans-64.5-40.5173.617952.5000110.9T103 T105 R110 Q111 I112 E181 G350T103-L108 WeakPolarHBondContact OG1-CB 3.26Å; T103-L108 WeakPolarHBondContact OG1-CD2 3.33Å; T103-L108 WeakPolarHBondContact OG1-CG 3.47Å; T105-L108 PolarHBondContact O-N 2.99Å; T105-L108 VanDerWaalsContact OG1-CB 3.23Å; T105-L108 WeakPolarHBondContact OG1-CB 3.33Å; T105-L108 PolarHBondContact OG1-N 2.85Å; L108-R110 VanDerWaalsContact C-N 3.33Å; L108-R110 PolarHBondContact O-N 3.24Å; L108-Q111 WeakPolarHBondContact O-CB 3.48Å; L108-Q111 PolarHBondContact O-N 2.9Å; L108-Q111 VanDerWaalsContact O-N 3.08Å; L108-I112 HydrophobicContact CD1-CD1 4.02Å; L108-I112 HydrophobicContact CD1-CG1 3.97Å; L108-I112 HydrophobicContact CG-CD1 3.96Å; L108-I112 HydrophobicContact CG-CG1 4.38Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.1Å; L108-E181 HydrophobicContact CD2-CG 3.69Å; L108-G350 WeakPolarHBondContact CD1-O 3Å
109S93.2Very high93.5Very high0 Ų020.9 Ų20.90%010%0.102CC..Hα-helixtrans-56.6-45.2173.3-168.90000112.4T103 T105 R106 E107 Q111 I112 F113 N129 M131 I153 G154T103-S109 VanDerWaalsContact CG2-CB 3.48Å; T105-S109 PolarHBondContact O-N 2.95Å; R106-S109 PolarHBondContact O-N 3.16Å; E107-S109 VanDerWaalsContact C-N 3.34Å; S109-Q111 VanDerWaalsContact C-N 3.35Å; S109-Q111 PolarHBondContact O-N 3.16Å; S109-I112 PolarHBondContact O-N 3.28Å; S109-F113 VanDerWaalsContact O-CB 3.31Å; S109-F113 WeakPolarHBondContact O-CB 3.41Å; S109-F113 PolarHBondContact O-N 3.11Å; S109-N129 PolarHBondContact OG-OD1 2.87Å; S109-M131 VanDerWaalsContact CB-SD 3.54Å; S109-I153 PolarHBondContact OG-O 2.72Å; S109-G154 VanDerWaalsContact OG-CA 3.28Å; S109-G154 WeakPolarHBondContact OG-CA 3.23Å; S109-G154 PolarHBondContact OG-N 3.09Å
110R92Very high93.4Very high58 Ų5821.2 Ų21.222%0.21911%0.105CC..Hα-helixtrans-63.6-39174.9-171.1177.872.7140.42.2112.3R106 E107 L108 F113 S114 N129 F326 D330R106-R110 PolarHBondContact O-N 2.83Å; E107-R110 PolarHBondContact O-N 3.42Å; L108-R110 VanDerWaalsContact C-N 3.33Å; L108-R110 PolarHBondContact O-N 3.24Å; R110-F113 PolarHBondContact O-N 3.02Å; R110-S114 PolarHBondContact O-N 3.47Å; R110-N129 WeakPolarHBondContact CA-ND2 3.43Å; R110-F326 HydrophobicContact CB-CE1 4.23Å; R110-F326 HydrophobicContact CB-CZ 4.3Å; R110-F326 VanDerWaalsContact CZ-CD1 3.48Å; R110-F326 VanDerWaalsContact NE-CD1 3.33Å; R110-D330 IonicContact CZ-OD1 2.91Å; R110-D330 IonicContact CZ-OD2 3.27Å; R110-D330 IonicContact NH1-OD1 3.16Å; R110-D330 IonicContact NH1-OD2 2.61Å; R110-D330 PolarHBondContact NH1-OD2 2.99Å; R110-D330 IonicContact NH2-OD1 3.72Å; R110-D330 PolarHBondContact NH2-OD1 3.49Å; R110-D330 IonicContact NH2-OD2 3.01Å; R110-D330 PolarHBondContact NH2-OD2 3.16Å
111Q90.2Very high93.2Very high29 Ų2925 Ų2514%0.13612%0.12CC..Hα-helixtrans-64.4-48.5177.2-174.3-170.3-36.900111.5E107 L108 S109 F113 S114 V115 D352E107-Q111 PolarHBondContact O-N 3.24Å; L108-Q111 WeakPolarHBondContact O-CB 3.48Å; L108-Q111 PolarHBondContact O-N 2.9Å; L108-Q111 VanDerWaalsContact O-N 3.08Å; S109-Q111 VanDerWaalsContact C-N 3.35Å; S109-Q111 PolarHBondContact O-N 3.16Å; Q111-F113 VanDerWaalsContact C-N 3.32Å; Q111-F113 PolarHBondContact O-N 2.97Å; Q111-S114 WeakPolarHBondContact O-CB 3.44Å; Q111-S114 PolarHBondContact O-N 3.29Å; Q111-S114 VanDerWaalsContact O-N 3.17Å; Q111-V115 WeakPolarHBondContact O-CG2 3.21Å; Q111-V115 PolarHBondContact O-N 3.16Å; Q111-D352 VanDerWaalsContact CD-CB 3.44Å; Q111-D352 PolarHBondContact NE2-OD2 2.9Å; Q111-D352 VanDerWaalsContact OE1-CB 3.25Å; Q111-D352 VanDerWaalsContact OE1-N 3.14Å
112I94.4Very high93Very high0 Ų027.7 Ų27.70%013%0.132CC..Hα-helixtrans-58.8-47.1176.1-65168.1000109.6T75 F78 I101 T103 L108 S109 S114 V115 F116 I153 D180T75-I112 HydrophobicContact CG2-CB 4.37Å; T75-I112 HydrophobicContact CG2-CG1 4.12Å; T75-I112 HydrophobicContact CG2-CG2 4.14Å; F78-I112 HydrophobicContact CE2-CG2 3.99Å; F78-I112 HydrophobicContact CZ-CD1 4.18Å; F78-I112 HydrophobicContact CZ-CG1 4.4Å; F78-I112 HydrophobicContact CZ-CG2 4.32Å; I101-I112 HydrophobicContact CG2-CD1 4.27Å; I101-I112 HydrophobicContact CG2-CG2 4.37Å; T103-I112 HydrophobicContact CG2-CD1 4.31Å; L108-I112 HydrophobicContact CD1-CD1 4.02Å; L108-I112 HydrophobicContact CD1-CG1 3.97Å; L108-I112 HydrophobicContact CG-CD1 3.96Å; L108-I112 HydrophobicContact CG-CG1 4.38Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.1Å; S109-I112 PolarHBondContact O-N 3.28Å; I112-S114 VanDerWaalsContact C-N 3.29Å; I112-S114 PolarHBondContact O-N 3.09Å; I112-V115 PolarHBondContact O-N 2.97Å; I112-F116 HydrophobicContact CG2-CD2 3.67Å; I112-F116 HydrophobicContact CG2-CE2 3.7Å; I112-F116 WeakPolarHBondContact O-CD2 3.42Å; I112-F116 PolarHBondContact O-N 2.92Å; I112-I153 HydrophobicContact CB-CG2 4.06Å; I112-I153 HydrophobicContact CG2-CD1 4.18Å; I112-I153 HydrophobicContact CG2-CG2 3.89Å; I112-D180 HydrophobicContact CD1-CB 4.47Å
113F96Very high92.9Very high48 Ų4828.5 Ų28.521%0.21114%0.136CC..Hα-helixtrans-55.5-42.9176.3-174-85.2000112.5S109 R110 Q111 V115 F116 A117 M127 N129 I153S109-F113 VanDerWaalsContact O-CB 3.31Å; S109-F113 WeakPolarHBondContact O-CB 3.41Å; S109-F113 PolarHBondContact O-N 3.11Å; R110-F113 PolarHBondContact O-N 3.02Å; Q111-F113 VanDerWaalsContact C-N 3.32Å; Q111-F113 PolarHBondContact O-N 2.97Å; F113-V115 PolarHBondContact O-N 3.44Å; F113-F116 PolarHBondContact O-N 2.99Å; F113-A117 WeakPolarHBondContact O-CB 3.44Å; F113-A117 PolarHBondContact O-N 2.99Å; F113-M127 HydrophobicContact CD2-CG 4.27Å; F113-M127 HydrophobicContact CD2-SD 3.98Å; F113-M127 HydrophobicContact CE1-SD 4.28Å; F113-M127 HydrophobicContact CE2-CB 4.11Å; F113-M127 HydrophobicContact CE2-CG 3.48Å; F113-M127 VanDerWaalsContact CE2-CG 3.48Å; F113-M127 HydrophobicContact CE2-SD 3.66Å; F113-M127 HydrophobicContact CG-SD 4.44Å; F113-M127 HydrophobicContact CZ-CG 3.74Å; F113-M127 HydrophobicContact CZ-SD 3.81Å; F113-N129 HydrophobicContact CB-CB 4.38Å; F113-N129 HydrophobicContact CD2-CB 3.58Å; F113-N129 HydrophobicContact CE2-CB 3.98Å; F113-N129 HydrophobicContact CG-CB 4.01Å; F113-I153 HydrophobicContact CB-CD1 4.18Å; F113-I153 HydrophobicContact CD2-CD1 4.08Å
114S93.5Very high92.9Very high57 Ų5736.2 Ų36.240%0.39917%0.171SC..Hα-helixtrans-63.5-39.2176.2-174.10000112.5R110 Q111 I112 K118R110-S114 PolarHBondContact O-N 3.47Å; Q111-S114 WeakPolarHBondContact O-CB 3.44Å; Q111-S114 PolarHBondContact O-N 3.29Å; Q111-S114 VanDerWaalsContact O-N 3.17Å; I112-S114 VanDerWaalsContact C-N 3.29Å; I112-S114 PolarHBondContact O-N 3.09Å; S114-K118 WeakPolarHBondContact O-CG 3.23Å; S114-K118 PolarHBondContact O-N 3.26Å; S114-K118 VanDerWaalsContact O-N 3.15Å
115V94.2Very high93.3Very high17 Ų1737.2 Ų37.210%0.10318%0.175CC..Hα-helixtrans-66.6-46.3175.9175.10000110.8T75 I76 Q111 I112 F113 A117 K118 I119T75-V115 HydrophobicContact CG2-CB 3.87Å; T75-V115 HydrophobicContact CG2-CG1 3.76Å; T75-V115 HydrophobicContact CG2-CG2 4.18Å; I76-V115 HydrophobicContact CG1-CG1 4.3Å; Q111-V115 WeakPolarHBondContact O-CG2 3.21Å; Q111-V115 PolarHBondContact O-N 3.16Å; I112-V115 PolarHBondContact O-N 2.97Å; F113-V115 PolarHBondContact O-N 3.44Å; V115-A117 PolarHBondContact O-N 3.07Å; V115-K118 PolarHBondContact O-N 3.29Å; V115-I119 HydrophobicContact CG1-CD1 3.7Å; V115-I119 WeakPolarHBondContact O-CG1 3.34Å; V115-I119 PolarHBondContact O-N 3.16Å; V115-I119 VanDerWaalsContact O-N 3.07Å
116F97.1Very high93.7Very high0 Ų037.6 Ų37.60%018%0.178CC..Hα-helixtrans-57.8-48.5174.8-92.6-100.7000111.4F78 A79 V82 I101 I112 F113 K118 I119 A120 M127 I151 I153F78-F116 HydrophobicContact CD2-CE2 4.05Å; F78-F116 HydrophobicContact CD2-CZ 4.2Å; F78-F116 AromaticContact CE2-CE2 3.82Å; F78-F116 HydrophobicContact CE2-CE2 3.82Å; F78-F116 HydrophobicContact CE2-CZ 4.38Å; A79-F116 VanDerWaalsContact CA-CZ 3.46Å; A79-F116 HydrophobicContact CB-CD1 4.5Å; A79-F116 HydrophobicContact CB-CD2 4.09Å; A79-F116 HydrophobicContact CB-CE1 4.08Å; A79-F116 HydrophobicContact CB-CE2 3.62Å; A79-F116 HydrophobicContact CB-CZ 3.65Å; V82-F116 HydrophobicContact CB-CE1 3.92Å; V82-F116 HydrophobicContact CB-CZ 4.23Å; V82-F116 HydrophobicContact CG1-CE1 3.8Å; V82-F116 HydrophobicContact CG1-CZ 4.45Å; V82-F116 HydrophobicContact CG2-CE1 4.25Å; V82-F116 HydrophobicContact CG2-CZ 4.1Å; I101-F116 HydrophobicContact CD1-CE1 4.48Å; I101-F116 HydrophobicContact CD1-CZ 4.02Å; I101-F116 HydrophobicContact CG1-CZ 4.48Å; I112-F116 HydrophobicContact CG2-CD2 3.67Å; I112-F116 HydrophobicContact CG2-CE2 3.7Å; I112-F116 WeakPolarHBondContact O-CD2 3.42Å; I112-F116 PolarHBondContact O-N 2.92Å; F113-F116 PolarHBondContact O-N 2.99Å; F116-K118 PolarHBondContact O-N 3.39Å; F116-I119 PolarHBondContact O-N 3.36Å; F116-I119 VanDerWaalsContact O-N 3.15Å; F116-A120 WeakPolarHBondContact O-CA 3.28Å; F116-A120 WeakPolarHBondContact O-CB 3.46Å; F116-A120 PolarHBondContact O-N 2.97Å; F116-M127 HydrophobicContact CB-CE 3.92Å; F116-M127 HydrophobicContact CB-SD 4.1Å; F116-I151 HydrophobicContact CD1-CD1 4.09Å; F116-I151 HydrophobicContact CD1-CG2 4.41Å; F116-I151 HydrophobicContact CE1-CD1 4.22Å; F116-I151 HydrophobicContact CE1-CG2 4.26Å; F116-I153 HydrophobicContact CB-CD1 4.17Å; F116-I153 HydrophobicContact CD2-CD1 4.01Å; F116-I153 HydrophobicContact CG-CD1 3.99Å
117A96.2Very high94.1Very high24 Ų2435.5 Ų35.520%0.19817%0.172CC..Hα-helixtrans-58.4-35.1178.800000112.8F113 V115 M127F113-A117 WeakPolarHBondContact O-CB 3.44Å; F113-A117 PolarHBondContact O-N 2.99Å; V115-A117 PolarHBondContact O-N 3.07Å; A117-M127 HydrophobicContact CB-SD 4.26Å
118K94.8Very high94.5Very high101 Ų10136.2 Ų36.244%0.43918%0.175SC..Hα-helixtrans-71.4-40.7176.3-72.7173.4-175.9-178.40112.9S42 S114 V115 F116 R121S42-K118 PolarHBondContact OG-O 2.75Å; S114-K118 WeakPolarHBondContact O-CG 3.23Å; S114-K118 PolarHBondContact O-N 3.26Å; S114-K118 VanDerWaalsContact O-N 3.15Å; V115-K118 PolarHBondContact O-N 3.29Å; F116-K118 PolarHBondContact O-N 3.39Å; K118-R121 PolarHBondContact O-NE 2.64Å; K118-R121 PolarHBondContact O-NH2 3.49Å
119I95.6Very high94.8Very high0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-84.8-33.9-175.3-58.2169.8000111G38 L39 Y44 I76 L83 V115 F116 R121G38-I119 WeakPolarHBondContact CA-O 3.5Å; L39-I119 HydrophobicContact CD2-CD1 4.04Å; L39-I119 HydrophobicContact CD2-CG1 4.19Å; L39-I119 HydrophobicContact CD2-CG2 3.8Å; L39-I119 HydrophobicContact CG-CG2 3.97Å; Y44-I119 HydrophobicContact CD2-CD1 4.24Å; Y44-I119 HydrophobicContact CD2-CG1 4.26Å; Y44-I119 HydrophobicContact CE2-CD1 4.14Å; Y44-I119 HydrophobicContact CE2-CG1 4.2Å; I76-I119 HydrophobicContact CD1-CD1 4.47Å; I76-I119 HydrophobicContact CG1-CD1 3.93Å; I76-I119 HydrophobicContact CG2-CD1 4.38Å; L83-I119 HydrophobicContact CD1-CB 4.28Å; L83-I119 HydrophobicContact CD1-CG2 3.72Å; V115-I119 HydrophobicContact CG1-CD1 3.7Å; V115-I119 WeakPolarHBondContact O-CG1 3.34Å; V115-I119 PolarHBondContact O-N 3.16Å; V115-I119 VanDerWaalsContact O-N 3.07Å; F116-I119 PolarHBondContact O-N 3.36Å; F116-I119 VanDerWaalsContact O-N 3.15Å; I119-R121 VanDerWaalsContact C-N 3.29Å; I119-R121 PolarHBondContact O-N 3.46Å
120A96Very high94.9Very high8 Ų836.9 Ų36.97%0.06618%0.179CC..SBendtrans-83.22.6-179.100000114L83 F116 E122 H123 M127L83-A120 HydrophobicContact CD1-CB 4.11Å; L83-A120 HydrophobicContact CD2-CB 3.61Å; F116-A120 WeakPolarHBondContact O-CA 3.28Å; F116-A120 WeakPolarHBondContact O-CB 3.46Å; F116-A120 PolarHBondContact O-N 2.97Å; A120-E122 PolarHBondContact O-N 2.77Å; A120-H123 WeakPolarHBondContact O-CB 3.47Å; A120-H123 PolarHBondContact O-N 3.25Å; A120-M127 HydrophobicContact CB-CE 3.94Å
121R94Very high94.9Very high81 Ų8134.5 Ų34.531%0.30617%0.17SC..THydrogen-bonded Turntrans-59.7-19.5-171.977.1178.487.8177.98115.1L41 S42 K118 I119L41-R121 VanDerWaalsContact C-NH2 3.34Å; L41-R121 PolarHBondContact O-NH2 3.38Å; L41-R121 VanDerWaalsContact O-NH2 3.14Å; S42-R121 PolarHBondContact OG-NH2 3.44Å; K118-R121 PolarHBondContact O-NE 2.64Å; K118-R121 PolarHBondContact O-NH2 3.49Å; I119-R121 VanDerWaalsContact C-N 3.29Å; I119-R121 PolarHBondContact O-N 3.46Å
122E94.4Very high94.7Very high55 Ų5534.1 Ų34.126%0.25717%0.174SC..THydrogen-bonded Turntrans-99.6-0.5178.7-56.9-65.5150.300112.4E34 K37 L41 A120E34-E122 HydrophobicContact CB-CB 3.9Å; E34-E122 HydrophobicContact CG-CB 4.46Å; E34-E122 WeakPolarHBondContact CG-O 3.48Å; K37-E122 HydrophobicContact CB-CG 4.07Å; K37-E122 HydrophobicContact CD-CG 3.83Å; K37-E122 WeakPolarHBondContact CD-OE2 3.3Å; K37-E122 VanDerWaalsContact CE-CD 3.48Å; K37-E122 WeakPolarHBondContact CE-OE2 3.27Å; K37-E122 HydrophobicContact CG-CG 3.88Å; K37-E122 IonicContact NZ-OE1 3.73Å; K37-E122 IonicContact NZ-OE2 2.68Å; K37-E122 PolarHBondContact NZ-OE2 3Å; L41-E122 WeakPolarHBondContact CD1-OE1 3.34Å; A120-E122 PolarHBondContact O-N 2.77Å
123H95.6Very high94.2Very high18 Ų1836.4 Ų36.48%0.08320%0.198CC..SBendtrans-101.5158.6173.8-69.4-84.9000110.4S32 T35 H87 A120 F125S32-H123 PolarHBondContact OG-CE1 3.28Å; T35-H123 PolarHBondContact N-NE2 3.45Å; T35-H123 PolarHBondContact OG1-NE2 3.49Å; H87-H123 AromaticContact ND1-CE1 3.71Å; H87-H123 AromaticContact ND1-ND1 3.82Å; A120-H123 WeakPolarHBondContact O-CB 3.47Å; A120-H123 PolarHBondContact O-N 3.25Å; H123-F125 HydrophobicContact CB-CD2 3.57Å; H123-F125 HydrophobicContact CB-CE2 3.6Å; H123-F125 HydrophobicContact CB-CG 4.2Å; H123-F125 HydrophobicContact CB-CZ 4.24Å; H123-F125 AromaticContact CE1-CE2 3.89Å; H123-F125 AromaticContact CG-CD2 3.92Å; H123-F125 AromaticContact CG-CE2 3.47Å; H123-F125 VanDerWaalsContact CG-CE2 3.47Å; H123-F125 AromaticContact ND1-CE2 3.25Å; H123-F125 WeakPolarHBondContact ND1-CE2 3.38Å; H123-F125 AromaticContact ND1-CZ 3.53Å
124H93Very high93.6Very high161 Ų16137.3 Ų37.375%0.74520%0.202SC*.  trans-99.418.1178.2-59.299.5000113.4
125F96.1Very high93.3Very high27 Ų2738 Ų3812%0.11820%0.203CC..  trans-73.6146.7-179.2-51.2-42.9000112.1L83 L86 H87 H123L83-F125 HydrophobicContact CD2-CD2 3.93Å; L83-F125 HydrophobicContact CD2-CE2 4.26Å; L86-F125 HydrophobicContact CB-CD1 4.1Å; L86-F125 HydrophobicContact CB-CD2 4.03Å; L86-F125 HydrophobicContact CB-CE1 3.79Å; L86-F125 HydrophobicContact CB-CE2 3.69Å; L86-F125 HydrophobicContact CB-CG 4.24Å; L86-F125 HydrophobicContact CB-CZ 3.6Å; L86-F125 HydrophobicContact CD2-CB 4.09Å; L86-F125 HydrophobicContact CD2-CD1 4.08Å; L86-F125 HydrophobicContact CD2-CD2 3.96Å; L86-F125 HydrophobicContact CD2-CE2 4.48Å; L86-F125 HydrophobicContact CD2-CG 3.77Å; H87-F125 HydrophobicContact CB-CZ 3.97Å; H123-F125 HydrophobicContact CB-CD2 3.57Å; H123-F125 HydrophobicContact CB-CE2 3.6Å; H123-F125 HydrophobicContact CB-CG 4.2Å; H123-F125 HydrophobicContact CB-CZ 4.24Å; H123-F125 AromaticContact CE1-CE2 3.89Å; H123-F125 AromaticContact CG-CD2 3.92Å; H123-F125 AromaticContact CG-CE2 3.47Å; H123-F125 VanDerWaalsContact CG-CE2 3.47Å; H123-F125 AromaticContact ND1-CE2 3.25Å; H123-F125 WeakPolarHBondContact ND1-CE2 3.38Å; H123-F125 AromaticContact ND1-CZ 3.53Å
126T96.2Very high92.7Very high17 Ų1741.1 Ų41.110%0.10423%0.225CC..  trans-93.2139.9174.356.70000110.5M93 R148 A149 N150 I151M93-T126 HydrophobicContact CB-CG2 4.03Å; T126-R148 VanDerWaalsContact CB-O 3.3Å; T126-R148 WeakPolarHBondContact CB-O 3.18Å; T126-R148 PolarHBondContact OG1-O 3.33Å; T126-A149 WeakPolarHBondContact OG1-CA 3.39Å; T126-N150 PolarHBondContact N-OD1 3Å; T126-N150 WeakPolarHBondContact O-CB 3.23Å; T126-N150 PolarHBondContact O-N 2.59Å; T126-N150 PolarHBondContact OG1-N 2.87Å; T126-N150 PolarHBondContact OG1-OD1 3.02Å; T126-I151 PolarHBondContact O-N 3.33Å
127M96.9Very high92.1Very high35 Ų3544.6 Ų44.617%0.17226%0.255CS..EExtended strand (participates in β ladder)trans-133.8147.8176.864.4174.574.300111.7F113 F116 A117 A120 I151F113-M127 HydrophobicContact CD2-CG 4.27Å; F113-M127 HydrophobicContact CD2-SD 3.98Å; F113-M127 HydrophobicContact CE1-SD 4.28Å; F113-M127 HydrophobicContact CE2-CB 4.11Å; F113-M127 HydrophobicContact CE2-CG 3.48Å; F113-M127 VanDerWaalsContact CE2-CG 3.48Å; F113-M127 HydrophobicContact CE2-SD 3.66Å; F113-M127 HydrophobicContact CG-SD 4.44Å; F113-M127 HydrophobicContact CZ-CG 3.74Å; F113-M127 HydrophobicContact CZ-SD 3.81Å; F116-M127 HydrophobicContact CB-CE 3.92Å; F116-M127 HydrophobicContact CB-SD 4.1Å; A117-M127 HydrophobicContact CB-SD 4.26Å; A120-M127 HydrophobicContact CB-CE 3.94Å; M127-I151 CarbonylContact C-O 3.6Å; M127-I151 VanDerWaalsContact CA-O 3.26Å; M127-I151 WeakPolarHBondContact CA-O 3.35Å; M127-I151 HydrophobicContact CB-CB 4.04Å
128M96.5Very high91.8Very high19 Ų1947.3 Ų47.39%0.09427%0.265CS..EExtended strand (participates in β ladder)trans-137.2132178.3-168.3167.9-74.100111.5I130 E142 S145 I146 A149 I151 L152 I153 I586M128-I130 HydrophobicContact CG-CG2 4.01Å; M128-I130 HydrophobicContact SD-CG2 4.36Å; M128-E142 HydrophobicContact CG-CG 4.34Å; M128-E142 HydrophobicContact SD-CB 4.15Å; M128-E142 HydrophobicContact SD-CG 3.7Å; M128-S145 VanDerWaalsContact CE-CB 3.47Å; M128-I146 HydrophobicContact SD-CB 4.49Å; M128-A149 HydrophobicContact CB-CB 3.7Å; M128-I151 PolarHBondContact N-O 3.38Å; M128-L152 HydrophobicContact CB-CD2 4.02Å; M128-I153 PolarHBondContact O-N 3.22Å; M128-I586 HydrophobicContact CE-CD1 4.01Å
129N95.7Very high91.5Very high18 Ų1846.2 Ų46.210%0.09626%0.261CS..EExtended strand (participates in β ladder)trans-91.8107174.4-169.9-4.4000110.1S109 R110 F113 M131 K134 I153S109-N129 PolarHBondContact OG-OD1 2.87Å; R110-N129 WeakPolarHBondContact CA-ND2 3.43Å; F113-N129 HydrophobicContact CB-CB 4.38Å; F113-N129 HydrophobicContact CD2-CB 3.58Å; F113-N129 HydrophobicContact CE2-CB 3.98Å; F113-N129 HydrophobicContact CG-CB 4.01Å; N129-M131 VanDerWaalsContact CG-CE 3.45Å; N129-M131 WeakPolarHBondContact ND2-CE 2.91Å; N129-M131 WeakPolarHBondContact OD1-CE 3.3Å; N129-M131 WeakPolarHBondContact OD1-CG 3.42Å; N129-M131 PolarHBondContact OD1-SD 3.34Å; N129-K134 WeakPolarHBondContact O-CE 3.46Å; N129-K134 PolarHBondContact O-NZ 2.88Å; N129-I153 CarbonylContact C-O 3.56Å; N129-I153 WeakPolarHBondContact CA-O 3.23Å; N129-I153 PolarHBondContact OD1-O 3.39Å
130I94.8Very high91.3Very high1 Ų150.3 Ų50.31%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-100.7103.1-174.760.9179.9000111.8M128 E142 I146 L152 I153 G154 T155 R158 M159M128-I130 HydrophobicContact CG-CG2 4.01Å; M128-I130 HydrophobicContact SD-CG2 4.36Å; I130-E142 WeakPolarHBondContact CA-OE2 3.32Å; I130-E142 HydrophobicContact CG2-CG 3.94Å; I130-I146 HydrophobicContact CG2-CD1 4.25Å; I130-L152 HydrophobicContact CD1-CB 4.13Å; I130-L152 HydrophobicContact CD1-CD1 4.35Å; I130-L152 HydrophobicContact CG2-CD2 4.36Å; I130-I153 PolarHBondContact N-O 2.92Å; I130-G154 WeakPolarHBondContact O-CA 3.33Å; I130-T155 PolarHBondContact O-N 3.47Å; I130-R158 HydrophobicContact CB-CG 4.27Å; I130-M159 HydrophobicContact CD1-CB 4.17Å; I130-M159 HydrophobicContact CD1-CG 4.41Å; I130-M159 HydrophobicContact CD1-SD 3.34Å; I130-M159 WeakPolarHBondContact CD1-SD 3.46Å
131M91.4Very high91Very high8 Ų853.7 Ų53.74%0.03930%0.297CS..  trans-141.8146.6-174.5-60.5177.6-60.100111.8R106 S109 N129 T155 F326R106-M131 VanDerWaalsContact C-SD 3.57Å; R106-M131 WeakPolarHBondContact CA-SD 3.38Å; R106-M131 HydrophobicContact CB-CB 4.47Å; R106-M131 HydrophobicContact CB-CG 4.4Å; R106-M131 HydrophobicContact CB-SD 3.63Å; R106-M131 HydrophobicContact CG-CB 4.11Å; R106-M131 HydrophobicContact CG-CG 4.4Å; R106-M131 HydrophobicContact CG-SD 4.25Å; S109-M131 VanDerWaalsContact CB-SD 3.54Å; N129-M131 VanDerWaalsContact CG-CE 3.45Å; N129-M131 WeakPolarHBondContact ND2-CE 2.91Å; N129-M131 WeakPolarHBondContact OD1-CE 3.3Å; N129-M131 WeakPolarHBondContact OD1-CG 3.42Å; N129-M131 PolarHBondContact OD1-SD 3.34Å; M131-T155 HydrophobicContact CG-CG2 4.43Å; M131-F326 HydrophobicContact CE-CE2 4.5Å; M131-F326 HydrophobicContact CE-CZ 4.01Å
132G86.6Confident91Very high21 Ų2150.1 Ų50.122%0.21628%0.283CS..THydrogen-bonded Turntrans-65.9167.2169.200000113.1R106 K134R106-G132 WeakPolarHBondContact CD-O 3.44Å; R106-G132 PolarHBondContact NE-O 3.01Å; G132-K134 VanDerWaalsContact C-N 3.33Å; G132-K134 PolarHBondContact O-N 3.2Å
133G84Confident91Very high48 Ų4850.3 Ų50.350%0.49528%0.282SS..THydrogen-bonded Turntrans81.35.7174.500000115.6
134K83.1Confident91Very high68 Ų6853.9 Ų53.930%0.29630%0.302SS..  trans-72.7151.3168.6-66-177.7178.3-177.20111.2N129 G132 L138 E142N129-K134 WeakPolarHBondContact O-CE 3.46Å; N129-K134 PolarHBondContact O-NZ 2.88Å; G132-K134 VanDerWaalsContact C-N 3.33Å; G132-K134 PolarHBondContact O-N 3.2Å; K134-L138 HydrophobicContact CB-CB 4.33Å; K134-L138 HydrophobicContact CD-CB 4.39Å; K134-E142 WeakPolarHBondContact CE-OE2 3.38Å; K134-E142 IonicContact NZ-OE2 3.45Å; K134-E142 PolarHBondContact NZ-OE2 3.08Å
135V86.3Confident91.1Very high71 Ų7147 Ų4743%0.4327%0.272SS..  trans-64.2155.3170.2-640000110.9A137 L138 K139V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 3.34Å; V135-L138 HydrophobicContact CG2-CB 4.17Å; V135-L138 HydrophobicContact CG2-CD1 3.89Å; V135-L138 HydrophobicContact CG2-CG 3.85Å; V135-L138 PolarHBondContact O-N 3.3Å; V135-K139 PolarHBondContact O-N 3.23Å
136S83.2Confident91.1Very high82 Ų8245.8 Ų45.857%0.57327%0.266SS*.Hα-helixtrans-57.1-37.4-171.7-165.70000113.8K139 N140S136-K139 WeakPolarHBondContact O-CB 3.44Å; S136-K139 PolarHBondContact O-N 3.2Å; S136-N140 VanDerWaalsContact O-CG 3.24Å; S136-N140 PolarHBondContact O-N 2.69Å; S136-N140 PolarHBondContact O-OD1 2.8Å
137A84.4Confident91Very high74 Ų7446.9 Ų46.961%0.61228%0.275SS*.Hα-helixtrans-61.9-52.3179.200000111.8V135 K139 N140 Q141V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 3.34Å; A137-K139 VanDerWaalsContact C-N 3.26Å; A137-K139 PolarHBondContact O-N 2.89Å; A137-N140 PolarHBondContact O-N 3.25Å; A137-N140 VanDerWaalsContact O-N 3.16Å; A137-Q141 PolarHBondContact O-N 2.76Å
138L88.2Confident90.9Very high81 Ų8150.7 Ų50.742%0.42429%0.287SS..Hα-helixtrans-63.9-32.6176.9-65.2179.1000112.3K134 V135 E142K134-L138 HydrophobicContact CB-CB 4.33Å; K134-L138 HydrophobicContact CD-CB 4.39Å; V135-L138 HydrophobicContact CG2-CB 4.17Å; V135-L138 HydrophobicContact CG2-CD1 3.89Å; V135-L138 HydrophobicContact CG2-CG 3.85Å; V135-L138 PolarHBondContact O-N 3.3Å; L138-E142 VanDerWaalsContact O-CB 3.28Å; L138-E142 WeakPolarHBondContact O-CB 3.35Å; L138-E142 PolarHBondContact O-N 3.25Å
139K88.8Confident90.9Very high78 Ų7849.8 Ų49.834%0.33928%0.283SS..Hα-helixtrans-63.9-43.2174.4-171.7-169.6174.1-174.40111.5V135 S136 A137 W143 R158V135-K139 PolarHBondContact O-N 3.23Å; S136-K139 WeakPolarHBondContact O-CB 3.44Å; S136-K139 PolarHBondContact O-N 3.2Å; A137-K139 VanDerWaalsContact C-N 3.26Å; A137-K139 PolarHBondContact O-N 2.89Å; K139-W143 WeakPolarHBondContact O-CB 3.32Å; K139-W143 PolarHBondContact O-N 3.21Å; K139-R158 VanDerWaalsContact CG-NH2 3.28Å
140N91.1Very high91Very high86 Ų8649 Ų4946%0.4628%0.278SS..Hα-helixtrans-70.7-40.1179.7-69.4-6.6000111.6S136 A137 W143 N144S136-N140 VanDerWaalsContact O-CG 3.24Å; S136-N140 PolarHBondContact O-N 2.69Å; S136-N140 PolarHBondContact O-OD1 2.8Å; A137-N140 PolarHBondContact O-N 3.25Å; A137-N140 VanDerWaalsContact O-N 3.16Å; N140-W143 WeakPolarHBondContact O-CB 3.43Å; N140-W143 PolarHBondContact O-N 2.89Å; N140-N144 PolarHBondContact O-N 2.93Å; N140-N144 PolarHBondContact O-ND2 3.33Å
141Q91.2Very high91.2Very high78 Ų7848.9 Ų48.936%0.36428%0.278SS..Hα-helixtrans-60.2-49.7173.5-174.4-176.74.800111.1A137 W143 N144 S145A137-Q141 PolarHBondContact O-N 2.76Å; Q141-W143 VanDerWaalsContact C-N 3.28Å; Q141-W143 PolarHBondContact O-N 3.34Å; Q141-N144 PolarHBondContact O-N 3.37Å; Q141-S145 VanDerWaalsContact O-CB 3.28Å; Q141-S145 WeakPolarHBondContact O-CB 3.43Å; Q141-S145 PolarHBondContact O-N 3.17Å; Q141-S145 PolarHBondContact O-OG 2.9Å
142E93.9Very high91.5Very high6 Ų648.5 Ų48.53%0.02828%0.276CS..Hα-helixtrans-54-46.4173.5176.2-172.994.800111.5M128 I130 K134 L138 N144 S145 I146 R158 H162M128-E142 HydrophobicContact CG-CG 4.34Å; M128-E142 HydrophobicContact SD-CB 4.15Å; M128-E142 HydrophobicContact SD-CG 3.7Å; I130-E142 WeakPolarHBondContact CA-OE2 3.32Å; I130-E142 HydrophobicContact CG2-CG 3.94Å; K134-E142 WeakPolarHBondContact CE-OE2 3.38Å; K134-E142 IonicContact NZ-OE2 3.45Å; K134-E142 PolarHBondContact NZ-OE2 3.08Å; L138-E142 VanDerWaalsContact O-CB 3.28Å; L138-E142 WeakPolarHBondContact O-CB 3.35Å; L138-E142 PolarHBondContact O-N 3.25Å; E142-N144 PolarHBondContact O-N 2.61Å; E142-S145 PolarHBondContact O-N 3.03Å; E142-I146 WeakPolarHBondContact O-CB 3.32Å; E142-I146 PolarHBondContact O-N 3.23Å; E142-I146 VanDerWaalsContact O-N 3.12Å; E142-R158 IonicContact OE1-CZ 3.94Å; E142-R158 IonicContact OE1-NE 3.09Å; E142-R158 PolarHBondContact OE1-NE 3.4Å; E142-R158 IonicContact OE1-NH2 3.98Å; E142-R158 PolarHBondContact OE1-NH2 3.5Å; E142-H162 IonicContact OE1-CE1 3.57Å; E142-H162 IonicContact OE1-NE2 2.72Å; E142-H162 PolarHBondContact OE1-NE2 2.85Å; E142-H162 VanDerWaalsContact OE1-NE2 3.16Å
143W94.8Very high92.1Very high59 Ų5947.5 Ų47.522%0.22327%0.266CS..Hα-helixtrans-58.5-45.6-179.3-167.9-87.4000113.5K139 N140 Q141 H162 E165 N166K139-W143 WeakPolarHBondContact O-CB 3.32Å; K139-W143 PolarHBondContact O-N 3.21Å; N140-W143 WeakPolarHBondContact O-CB 3.43Å; N140-W143 PolarHBondContact O-N 2.89Å; Q141-W143 VanDerWaalsContact C-N 3.28Å; Q141-W143 PolarHBondContact O-N 3.34Å; W143-H162 AromaticContact CE3-CE1 3.44Å; W143-H162 VanDerWaalsContact CE3-CE1 3.44Å; W143-H162 AromaticContact CE3-ND1 3.58Å; W143-H162 AromaticContact CZ3-ND1 3.83Å; W143-E165 HydrophobicContact CH2-CB 3.59Å; W143-E165 HydrophobicContact CZ2-CB 4.29Å; W143-E165 WeakPolarHBondContact CZ2-O 3.4Å; W143-N166 HydrophobicContact CD2-CB 4.09Å; W143-N166 VanDerWaalsContact CE2-CG 3.46Å; W143-N166 HydrophobicContact CE3-CB 4.23Å; W143-N166 HydrophobicContact CH2-CB 3.72Å; W143-N166 VanDerWaalsContact CZ2-CA 3.5Å; W143-N166 HydrophobicContact CZ2-CB 3.5Å; W143-N166 VanDerWaalsContact CZ2-CB 3.5Å; W143-N166 HydrophobicContact CZ3-CB 4.06Å; W143-N166 PolarHBondContact NE1-OD1 3.08Å; W143-N166 PolarHBondContact O-ND2 2.96Å
144N94.9Very high92.6Very high93 Ų9345.3 Ų45.350%0.49724%0.243SC..Hα-helixtrans-82.9-22.3-174.8-65.3-24.7000113.1N140 Q141 E142N140-N144 PolarHBondContact O-N 2.93Å; N140-N144 PolarHBondContact O-ND2 3.33Å; Q141-N144 PolarHBondContact O-N 3.37Å; E142-N144 PolarHBondContact O-N 2.61Å
145S94.6Very high93.2Very high18 Ų1842.7 Ų42.713%0.12623%0.233CC..Hα-helixtrans-98.7-4.7-178-61.60000113.9M128 Q141 E142 S147 R148M128-S145 VanDerWaalsContact CE-CB 3.47Å; Q141-S145 VanDerWaalsContact O-CB 3.28Å; Q141-S145 WeakPolarHBondContact O-CB 3.43Å; Q141-S145 PolarHBondContact O-N 3.17Å; Q141-S145 PolarHBondContact O-OG 2.9Å; E142-S145 PolarHBondContact O-N 3.03Å; S145-S147 VanDerWaalsContact C-N 3.26Å; S145-S147 PolarHBondContact O-N 3.31Å; S145-R148 PolarHBondContact O-N 3.3Å
146I95.8Very high93.6Very high0 Ų039.3 Ų39.30%021%0.212CC..G310 helixtrans-59.6-34.4-173.3-158.9163.2000113.5M128 I130 E142 R148 A149 L152 H162 N166 L168 L169M128-I146 HydrophobicContact SD-CB 4.49Å; I130-I146 HydrophobicContact CG2-CD1 4.25Å; E142-I146 WeakPolarHBondContact O-CB 3.32Å; E142-I146 PolarHBondContact O-N 3.23Å; E142-I146 VanDerWaalsContact O-N 3.12Å; I146-R148 PolarHBondContact O-N 2.99Å; I146-A149 PolarHBondContact O-N 3Å; I146-L152 HydrophobicContact CD1-CD1 4.41Å; I146-L152 HydrophobicContact CD1-CD2 4.46Å; I146-L152 HydrophobicContact CG1-CD1 4.28Å; I146-L152 HydrophobicContact CG1-CD2 3.89Å; I146-H162 HydrophobicContact CD1-CB 4Å; I146-N166 VanDerWaalsContact CG2-ND2 3.3Å; I146-N166 WeakPolarHBondContact CG2-ND2 3.41Å; I146-L168 HydrophobicContact CG2-CB 4.23Å; I146-L169 HydrophobicContact CD1-CD1 4.01Å; I146-L169 HydrophobicContact CG1-CD1 4.07Å; I146-L169 HydrophobicContact CG2-CB 4.2Å
147S94.3Very high94.1Very high40 Ų4036.7 Ų36.728%0.2820%0.199SC..G310 helixtrans-65.1-18179.361.40000113.4G96 S145 L168G96-S147 WeakPolarHBondContact CA-O 3.1Å; S145-S147 VanDerWaalsContact C-N 3.26Å; S145-S147 PolarHBondContact O-N 3.31Å; S147-L168 VanDerWaalsContact CB-O 3.25Å; S147-L168 WeakPolarHBondContact CB-O 3.39Å
148R94.9Very high94.6Very high115 Ų11533.7 Ų33.743%0.43417%0.171SC..G310 helixtrans-99.9-0.7-178.6-66178.2172.890.3-2.3113.2M93 T126 S145 I146M93-R148 HydrophobicContact CE-CB 4.24Å; M93-R148 HydrophobicContact CE-CG 4.05Å; M93-R148 WeakPolarHBondContact O-CA 3.42Å; T126-R148 VanDerWaalsContact CB-O 3.3Å; T126-R148 WeakPolarHBondContact CB-O 3.18Å; T126-R148 PolarHBondContact OG1-O 3.33Å; S145-R148 PolarHBondContact O-N 3.3Å; I146-R148 PolarHBondContact O-N 2.99Å
149A97.1Very high95Very high0 Ų029.8 Ų29.80%015%0.151CC..  trans-93.6117.9-176.800000110.4G96 P97 T126 M128 I146 L152G96-A149 CarbonylContact C-O 3.52Å; P97-A149 WeakPolarHBondContact CA-O 3.4Å; P97-A149 WeakPolarHBondContact CG-O 3.24Å; P97-A149 VanDerWaalsContact N-O 3.15Å; T126-A149 WeakPolarHBondContact OG1-CA 3.39Å; M128-A149 HydrophobicContact CB-CB 3.7Å; I146-A149 PolarHBondContact O-N 3Å; A149-L152 HydrophobicContact CB-CD2 3.68Å
150N98Very high95.3Very high1 Ų126.3 Ų26.31%0.00514%0.137CC..SBendtrans-73.7-34.9178.2-55.6131.5000113L86 V91 S92 G96 V98 A99 T126L86-N150 HydrophobicContact CD2-CB 3.74Å; V91-N150 HydrophobicContact CG1-CB 4.07Å; V91-N150 WeakPolarHBondContact CG1-ND2 3.42Å; S92-N150 PolarHBondContact O-ND2 3.44Å; G96-N150 WeakPolarHBondContact O-CA 3.37Å; G96-N150 PolarHBondContact O-ND2 3.33Å; G96-N150 VanDerWaalsContact O-ND2 3.09Å; V98-N150 PolarHBondContact N-O 3.4Å; A99-N150 PolarHBondContact N-O 2.85Å; A99-N150 VanDerWaalsContact N-O 3.09Å; T126-N150 PolarHBondContact N-OD1 3Å; T126-N150 WeakPolarHBondContact O-CB 3.23Å; T126-N150 PolarHBondContact O-N 2.59Å; T126-N150 PolarHBondContact OG1-N 2.87Å; T126-N150 PolarHBondContact OG1-OD1 3.02Å
151I98.5Very high95.5Very high0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-118.5117179.9-53.2168.2000109.2V82 L83 L86 A99 I101 F116 T126 M127 M128 I153V82-I151 HydrophobicContact CG1-CD1 3.85Å; V82-I151 HydrophobicContact CG1-CG1 3.99Å; V82-I151 HydrophobicContact CG1-CG2 4.49Å; L83-I151 HydrophobicContact CD2-CD1 4.21Å; L86-I151 HydrophobicContact CD2-CD1 3.93Å; L86-I151 HydrophobicContact CD2-CG1 3.64Å; A99-I151 WeakPolarHBondContact O-CA 3.2Å; I101-I151 HydrophobicContact CD1-CG2 3.5Å; F116-I151 HydrophobicContact CD1-CD1 4.09Å; F116-I151 HydrophobicContact CD1-CG2 4.41Å; F116-I151 HydrophobicContact CE1-CD1 4.22Å; F116-I151 HydrophobicContact CE1-CG2 4.26Å; T126-I151 PolarHBondContact O-N 3.33Å; M127-I151 CarbonylContact C-O 3.6Å; M127-I151 VanDerWaalsContact CA-O 3.26Å; M127-I151 WeakPolarHBondContact CA-O 3.35Å; M127-I151 HydrophobicContact CB-CB 4.04Å; M128-I151 PolarHBondContact N-O 3.38Å; I151-I153 HydrophobicContact CG2-CD1 4.24Å; I151-I153 HydrophobicContact CG2-CG1 3.97Å
152L98.2Very high95.7Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-101.7125.2172.6-60.5179.2000109.9P97 A99 I100 I101 M128 I130 I146 A149 M159 L169P97-L152 HydrophobicContact CB-CD1 3.81Å; P97-L152 HydrophobicContact CB-CG 4.1Å; P97-L152 HydrophobicContact CG-CD1 3.72Å; P97-L152 HydrophobicContact CG-CG 4.16Å; A99-L152 PolarHBondContact O-N 3.35Å; I100-L152 CarbonylContact C-O 3.43Å; I100-L152 WeakPolarHBondContact CA-O 3.28Å; I100-L152 HydrophobicContact CG1-CB 4.13Å; I100-L152 HydrophobicContact CG1-CD1 4.23Å; I101-L152 PolarHBondContact N-O 2.79Å; M128-L152 HydrophobicContact CB-CD2 4.02Å; I130-L152 HydrophobicContact CD1-CB 4.13Å; I130-L152 HydrophobicContact CD1-CD1 4.35Å; I130-L152 HydrophobicContact CG2-CD2 4.36Å; I146-L152 HydrophobicContact CD1-CD1 4.41Å; I146-L152 HydrophobicContact CD1-CD2 4.46Å; I146-L152 HydrophobicContact CG1-CD1 4.28Å; I146-L152 HydrophobicContact CG1-CD2 3.89Å; A149-L152 HydrophobicContact CB-CD2 3.68Å; L152-M159 HydrophobicContact CD1-CE 4.44Å; L152-M159 HydrophobicContact CD1-SD 4.33Å; L152-L169 HydrophobicContact CD1-CD1 3.9Å
153I98.3Very high95.7Very high0 Ų022.4 Ų22.40%012%0.116CC..EExtended strand (participates in β ladder)trans-121.3123.4177.8-54.6171.8000107.2I101 S109 I112 F113 F116 M128 N129 I130 I151I101-I153 HydrophobicContact CB-CG1 4.3Å; I101-I153 HydrophobicContact CB-CG2 4.35Å; I101-I153 HydrophobicContact CD1-CG1 3.81Å; I101-I153 WeakPolarHBondContact O-CA 3.5Å; S109-I153 PolarHBondContact OG-O 2.72Å; I112-I153 HydrophobicContact CB-CG2 4.06Å; I112-I153 HydrophobicContact CG2-CD1 4.18Å; I112-I153 HydrophobicContact CG2-CG2 3.89Å; F113-I153 HydrophobicContact CB-CD1 4.18Å; F113-I153 HydrophobicContact CD2-CD1 4.08Å; F116-I153 HydrophobicContact CB-CD1 4.17Å; F116-I153 HydrophobicContact CD2-CD1 4.01Å; F116-I153 HydrophobicContact CG-CD1 3.99Å; M128-I153 PolarHBondContact O-N 3.22Å; N129-I153 CarbonylContact C-O 3.56Å; N129-I153 WeakPolarHBondContact CA-O 3.23Å; N129-I153 PolarHBondContact OD1-O 3.39Å; I130-I153 PolarHBondContact N-O 2.92Å; I151-I153 HydrophobicContact CG2-CD1 4.24Å; I151-I153 HydrophobicContact CG2-CG1 3.97Å
154G95.9Very high95.6Very high1 Ų123.8 Ų23.81%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-172.9-178.7-172.200000117.9I101 L102 T103 S109 I130I101-G154 PolarHBondContact O-N 2.91Å; L102-G154 WeakPolarHBondContact CA-O 3.45Å; T103-G154 PolarHBondContact N-O 2.73Å; S109-G154 VanDerWaalsContact OG-CA 3.28Å; S109-G154 WeakPolarHBondContact OG-CA 3.23Å; S109-G154 PolarHBondContact OG-N 3.09Å; I130-G154 WeakPolarHBondContact O-CA 3.33Å
155T94.3Very high95.6Very high13 Ų1324.9 Ų24.98%0.0813%0.133CC..  trans-96.2142.6177.356.30000111.5T103 R106 I130 M131 G157 R158 M159T103-T155 WeakPolarHBondContact O-CA 3.15Å; R106-T155 HydrophobicContact CG-CG2 3.92Å; I130-T155 PolarHBondContact O-N 3.47Å; M131-T155 HydrophobicContact CG-CG2 4.43Å; T155-G157 PolarHBondContact O-N 3.48Å; T155-R158 PolarHBondContact O-N 2.91Å; T155-M159 PolarHBondContact O-N 2.86Å
156P95Very high95.6Very high0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-48.1-54-175.9-30.835000114.3T103 R158 M159 A160 L185 F190 D193 I197T103-P156 WeakPolarHBondContact O-CD 2.98Å; P156-R158 PolarHBondContact O-N 3.43Å; P156-M159 WeakPolarHBondContact O-CB 3.47Å; P156-M159 PolarHBondContact O-N 3.39Å; P156-A160 PolarHBondContact O-N 2.84Å; P156-L185 HydrophobicContact CG-CD2 3.6Å; P156-F190 HydrophobicContact CB-CB 4.29Å; P156-F190 HydrophobicContact CG-CB 4.31Å; P156-D193 HydrophobicContact CB-CB 4.1Å; P156-I197 HydrophobicContact CB-CD1 4Å; P156-I197 WeakPolarHBondContact O-CD1 3.46Å
157G93.4Very high95.5Very high28 Ų2829.9 Ų29.929%0.28917%0.167SC..Hα-helixtrans-58.7-28.9-176.700000114.9T155 Q161 D193T155-G157 PolarHBondContact O-N 3.48Å; G157-Q161 WeakPolarHBondContact O-CB 3.5Å; G157-Q161 PolarHBondContact O-N 3.08Å; G157-D193 WeakPolarHBondContact CA-OD2 3.25Å
158R94.7Very high95.5Very high10 Ų1031.4 Ų31.44%0.03817%0.172CC..Hα-helixtrans-79.8-37.2174.9-17259.5173.315411.9112.1I130 K139 E142 T155 P156 Q161 H162I130-R158 HydrophobicContact CB-CG 4.27Å; K139-R158 VanDerWaalsContact CG-NH2 3.28Å; E142-R158 IonicContact OE1-CZ 3.94Å; E142-R158 IonicContact OE1-NE 3.09Å; E142-R158 PolarHBondContact OE1-NE 3.4Å; E142-R158 IonicContact OE1-NH2 3.98Å; E142-R158 PolarHBondContact OE1-NH2 3.5Å; T155-R158 PolarHBondContact O-N 2.91Å; P156-R158 PolarHBondContact O-N 3.43Å; R158-Q161 VanDerWaalsContact NH1-CD 3.3Å; R158-Q161 PolarHBondContact O-N 3.4Å; R158-H162 PolarHBondContact NH2-NE2 3.05Å; R158-H162 PolarHBondContact O-CD2 2.88Å; R158-H162 VanDerWaalsContact O-CD2 3.26Å; R158-H162 PolarHBondContact O-N 3.02Å; R158-H162 VanDerWaalsContact O-N 3.1Å
159M96.5Very high95.6Very high0 Ų027 Ų270%016%0.157CC..Hα-helixtrans-64.4-47.4174.8-176.470.3-141.900111.4I100 L102 I130 L152 T155 P156 Q161 H162 Q163 L169 T171 I197I100-M159 HydrophobicContact CD1-CE 3.91Å; I100-M159 HydrophobicContact CD1-SD 4.32Å; L102-M159 HydrophobicContact CD2-CB 3.99Å; L102-M159 HydrophobicContact CD2-CG 4.1Å; I130-M159 HydrophobicContact CD1-CB 4.17Å; I130-M159 HydrophobicContact CD1-CG 4.41Å; I130-M159 HydrophobicContact CD1-SD 3.34Å; I130-M159 WeakPolarHBondContact CD1-SD 3.46Å; L152-M159 HydrophobicContact CD1-CE 4.44Å; L152-M159 HydrophobicContact CD1-SD 4.33Å; T155-M159 PolarHBondContact O-N 2.86Å; P156-M159 WeakPolarHBondContact O-CB 3.47Å; P156-M159 PolarHBondContact O-N 3.39Å; M159-Q161 VanDerWaalsContact C-N 3.27Å; M159-Q161 PolarHBondContact O-N 3.11Å; M159-H162 PolarHBondContact O-N 2.93Å; M159-Q163 HydrophobicContact CE-CG 3.77Å; M159-Q163 PolarHBondContact O-N 3.22Å; M159-L169 HydrophobicContact CE-CD1 4.31Å; M159-L169 HydrophobicContact CE-CD2 3.35Å; M159-L169 HydrophobicContact CE-CG 4.42Å; M159-T171 HydrophobicContact CE-CG2 4.37Å; M159-I197 HydrophobicContact CB-CD1 3.78Å; M159-I197 HydrophobicContact CB-CG1 4.28Å; M159-I197 HydrophobicContact CG-CD1 3.91Å; M159-I197 HydrophobicContact CG-CG1 3.99Å; M159-I197 HydrophobicContact CG-CG2 4.22Å
160A95.7Very high95.5Very high4 Ų431.4 Ų31.43%0.03318%0.18CC..Hα-helixtrans-59.3-39.9176.900000111.6P156 Q163 T164 D193 I197P156-A160 PolarHBondContact O-N 2.84Å; A160-Q163 PolarHBondContact O-N 2.84Å; A160-T164 WeakPolarHBondContact O-CB 3.41Å; A160-T164 PolarHBondContact O-N 3.05Å; A160-T164 PolarHBondContact O-OG1 3.02Å; A160-D193 HydrophobicContact CB-CB 3.95Å; A160-I197 HydrophobicContact CB-CD1 4.16Å; A160-I197 HydrophobicContact CB-CG1 3.98Å
161Q94.7Very high95.3Very high54 Ų5432 Ų3225%0.25218%0.184SC..Hα-helixtrans-59.8-47.3172.6-175.6175.519.600111.7G157 R158 M159 Q163 T164 E165G157-Q161 WeakPolarHBondContact O-CB 3.5Å; G157-Q161 PolarHBondContact O-N 3.08Å; R158-Q161 VanDerWaalsContact NH1-CD 3.3Å; R158-Q161 PolarHBondContact O-N 3.4Å; M159-Q161 VanDerWaalsContact C-N 3.27Å; M159-Q161 PolarHBondContact O-N 3.11Å; Q161-Q163 PolarHBondContact O-N 3.1Å; Q161-T164 PolarHBondContact O-N 3.09Å; Q161-E165 HydrophobicContact CG-CG 4.37Å; Q161-E165 VanDerWaalsContact CG-OE2 3.26Å; Q161-E165 WeakPolarHBondContact CG-OE2 3.5Å; Q161-E165 PolarHBondContact NE2-OE2 2.93Å; Q161-E165 VanDerWaalsContact O-CB 3.31Å; Q161-E165 WeakPolarHBondContact O-CB 3.46Å; Q161-E165 PolarHBondContact O-N 3.31Å
162H96.1Very high95.1Very high0 Ų034.8 Ų34.80%020%0.204CC..Hα-helixtrans-61.3-44.1177.8-82-68.1000112.4E142 W143 I146 R158 M159 T164 N166 L169E142-H162 IonicContact OE1-CE1 3.57Å; E142-H162 IonicContact OE1-NE2 2.72Å; E142-H162 PolarHBondContact OE1-NE2 2.85Å; E142-H162 VanDerWaalsContact OE1-NE2 3.16Å; W143-H162 AromaticContact CE3-CE1 3.44Å; W143-H162 VanDerWaalsContact CE3-CE1 3.44Å; W143-H162 AromaticContact CE3-ND1 3.58Å; W143-H162 AromaticContact CZ3-ND1 3.83Å; I146-H162 HydrophobicContact CD1-CB 4Å; R158-H162 PolarHBondContact NH2-NE2 3.05Å; R158-H162 PolarHBondContact O-CD2 2.88Å; R158-H162 VanDerWaalsContact O-CD2 3.26Å; R158-H162 PolarHBondContact O-N 3.02Å; R158-H162 VanDerWaalsContact O-N 3.1Å; M159-H162 PolarHBondContact O-N 2.93Å; H162-T164 VanDerWaalsContact C-N 3.29Å; H162-T164 PolarHBondContact O-N 2.87Å; H162-N166 HydrophobicContact CB-CB 4.3Å; H162-N166 PolarHBondContact ND1-ND2 3.13Å; H162-N166 WeakPolarHBondContact O-CA 3.5Å; H162-N166 WeakPolarHBondContact O-CB 3.44Å; H162-N166 PolarHBondContact O-N 3.08Å; H162-L169 HydrophobicContact CB-CD2 3.78Å
163Q94.6Very high94.9Very high35 Ų3538.2 Ų38.216%0.16422%0.222CC..Hα-helixtrans-62.8-36.1177.3-74.1177.5-31.300113.1M159 A160 Q161 L169 I197M159-Q163 HydrophobicContact CE-CG 3.77Å; M159-Q163 PolarHBondContact O-N 3.22Å; A160-Q163 PolarHBondContact O-N 2.84Å; Q161-Q163 PolarHBondContact O-N 3.1Å; Q163-L169 HydrophobicContact CB-CD2 4.37Å; Q163-L169 HydrophobicContact CG-CD2 3.61Å; Q163-I197 PolarHBondContact NE2-O 3.32Å
164T92.6Very high94.8Very high87 Ų8738.2 Ų38.253%0.53422%0.222SC..Hα-helixtrans-82.2-37.1-175.7-53.60000112.3A160 Q161 H162A160-T164 WeakPolarHBondContact O-CB 3.41Å; A160-T164 PolarHBondContact O-N 3.05Å; A160-T164 PolarHBondContact O-OG1 3.02Å; Q161-T164 PolarHBondContact O-N 3.09Å; H162-T164 VanDerWaalsContact C-N 3.29Å; H162-T164 PolarHBondContact O-N 2.87Å
165E94.5Very high94.9Very high116 Ų11642.7 Ų42.754%0.54224%0.241SC..Hα-helixtrans-115.4-22.8-166.7-62.5176.6-175.100113.9W143 Q161W143-E165 HydrophobicContact CH2-CB 3.59Å; W143-E165 HydrophobicContact CZ2-CB 4.29Å; W143-E165 WeakPolarHBondContact CZ2-O 3.4Å; Q161-E165 HydrophobicContact CG-CG 4.37Å; Q161-E165 VanDerWaalsContact CG-OE2 3.26Å; Q161-E165 WeakPolarHBondContact CG-OE2 3.5Å; Q161-E165 PolarHBondContact NE2-OE2 2.93Å; Q161-E165 VanDerWaalsContact O-CB 3.31Å; Q161-E165 WeakPolarHBondContact O-CB 3.46Å; Q161-E165 PolarHBondContact O-N 3.31Å
166N94.7Very high95Very high5 Ų542 Ų423%0.02724%0.237CC..  trans-102.4103.6-177.2-166.7-0000112.1W143 I146 H162 L168 L169W143-N166 HydrophobicContact CD2-CB 4.09Å; W143-N166 VanDerWaalsContact CE2-CG 3.46Å; W143-N166 HydrophobicContact CE3-CB 4.23Å; W143-N166 HydrophobicContact CH2-CB 3.72Å; W143-N166 VanDerWaalsContact CZ2-CA 3.5Å; W143-N166 HydrophobicContact CZ2-CB 3.5Å; W143-N166 VanDerWaalsContact CZ2-CB 3.5Å; W143-N166 HydrophobicContact CZ3-CB 4.06Å; W143-N166 PolarHBondContact NE1-OD1 3.08Å; W143-N166 PolarHBondContact O-ND2 2.96Å; I146-N166 VanDerWaalsContact CG2-ND2 3.3Å; I146-N166 WeakPolarHBondContact CG2-ND2 3.41Å; H162-N166 HydrophobicContact CB-CB 4.3Å; H162-N166 PolarHBondContact ND1-ND2 3.13Å; H162-N166 WeakPolarHBondContact O-CA 3.5Å; H162-N166 WeakPolarHBondContact O-CB 3.44Å; H162-N166 PolarHBondContact O-N 3.08Å; N166-L168 PolarHBondContact O-N 3.46Å; N166-L168 WeakPolarHBondContact OD1-CB 3.39Å; N166-L168 PolarHBondContact OD1-N 3.03Å; N166-L169 PolarHBondContact O-N 2.87Å
167S93.6Very high95.1Very high118 Ų11842 Ų4283%0.82524%0.237SC*.THydrogen-bonded Turntrans-67.2-14176.355.40000114.4L169S167-L169 VanDerWaalsContact C-N 3.3Å
168L94.8Very high95.4Very high73 Ų7340.7 Ų40.738%0.38222%0.224SC..THydrogen-bonded Turntrans-78.1-17.7176-59.4175.1000112.5I146 S147 N166 D170I146-L168 HydrophobicContact CG2-CB 4.23Å; S147-L168 VanDerWaalsContact CB-O 3.25Å; S147-L168 WeakPolarHBondContact CB-O 3.39Å; N166-L168 PolarHBondContact O-N 3.46Å; N166-L168 WeakPolarHBondContact OD1-CB 3.39Å; N166-L168 PolarHBondContact OD1-N 3.03Å; L168-D170 PolarHBondContact O-N 2.94Å
169L96Very high95.4Very high23 Ų2340.2 Ų40.212%0.1222%0.222CC..  trans-78.7109176.3176.168.7000109P97 I146 L152 M159 H162 Q163 N166 S167 T171P97-L169 HydrophobicContact CG-CD1 3.98Å; I146-L169 HydrophobicContact CD1-CD1 4.01Å; I146-L169 HydrophobicContact CG1-CD1 4.07Å; I146-L169 HydrophobicContact CG2-CB 4.2Å; L152-L169 HydrophobicContact CD1-CD1 3.9Å; M159-L169 HydrophobicContact CE-CD1 4.31Å; M159-L169 HydrophobicContact CE-CD2 3.35Å; M159-L169 HydrophobicContact CE-CG 4.42Å; H162-L169 HydrophobicContact CB-CD2 3.78Å; Q163-L169 HydrophobicContact CB-CD2 4.37Å; Q163-L169 HydrophobicContact CG-CD2 3.61Å; N166-L169 PolarHBondContact O-N 2.87Å; S167-L169 VanDerWaalsContact C-N 3.3Å; L169-T171 HydrophobicContact CD1-CG2 3.86Å; L169-T171 HydrophobicContact CD2-CG2 4.29Å; L169-T171 HydrophobicContact CG-CG2 4.01Å
170D94.5Very high95.3Very high91 Ų9140.4 Ų40.449%0.48722%0.223SC..  trans-106.7129.3164.5-173.411.2000109.4P97 L168 S172P97-D170 WeakPolarHBondContact CD-O 3.3Å; L168-D170 PolarHBondContact O-N 2.94Å; D170-S172 WeakPolarHBondContact OD1-CB 3.49Å; D170-S172 PolarHBondContact OD1-N 2.9Å; D170-S172 PolarHBondContact OD1-OG 3.45Å; D170-S172 PolarHBondContact OD2-OG 3.17Å
171T95.1Very high94.9Very high15 Ų1540.6 Ų40.69%0.09222%0.223CC..  trans-118.917.1176.457.90000111.8I100 M159 L169 N173 L174 L201I100-T171 HydrophobicContact CD1-CG2 4.05Å; M159-T171 HydrophobicContact CE-CG2 4.37Å; L169-T171 HydrophobicContact CD1-CG2 3.86Å; L169-T171 HydrophobicContact CD2-CG2 4.29Å; L169-T171 HydrophobicContact CG-CG2 4.01Å; T171-N173 PolarHBondContact O-N 3.21Å; T171-L174 VanDerWaalsContact O-CB 3.25Å; T171-L174 WeakPolarHBondContact O-CB 3.45Å; T171-L174 PolarHBondContact O-N 2.79Å; T171-L174 VanDerWaalsContact O-N 3.14Å; T171-L201 HydrophobicContact CG2-CD2 3.99Å
172S93.2Very high94.6Very high58 Ų5838 Ų3841%0.40621%0.211SC..THydrogen-bonded Turntrans-55.8-38.4175.460.70000112.3D170 L174D170-S172 WeakPolarHBondContact OD1-CB 3.49Å; D170-S172 PolarHBondContact OD1-N 2.9Å; D170-S172 PolarHBondContact OD1-OG 3.45Å; D170-S172 PolarHBondContact OD2-OG 3.17Å; S172-L174 VanDerWaalsContact C-N 3.31Å; S172-L174 PolarHBondContact O-N 2.82Å
173N94.5Very high93.9Very high71 Ų7139.1 Ų39.138%0.3822%0.217SC..THydrogen-bonded Turntrans-867179.5-67.7-26.4000114.3D95 T171 K175D95-N173 PolarHBondContact O-ND2 3.09Å; T171-N173 PolarHBondContact O-N 3.21Å; N173-K175 PolarHBondContact O-N 3.31Å
174L96.8Very high93.3Very high0 Ų038 Ų380%021%0.211CC..  trans-62.1124.9178.8-174.777.2000110.3I100 T171 S172 L201 T202I100-L174 HydrophobicContact CB-CD1 4.04Å; I100-L174 HydrophobicContact CD1-CD1 3.71Å; I100-L174 HydrophobicContact CD1-CD2 4.17Å; I100-L174 HydrophobicContact CG1-CD1 3.58Å; T171-L174 VanDerWaalsContact O-CB 3.25Å; T171-L174 WeakPolarHBondContact O-CB 3.45Å; T171-L174 PolarHBondContact O-N 2.79Å; T171-L174 VanDerWaalsContact O-N 3.14Å; S172-L174 VanDerWaalsContact C-N 3.31Å; S172-L174 PolarHBondContact O-N 2.82Å; L174-L201 HydrophobicContact CD2-CB 4.07Å; L174-L201 HydrophobicContact CD2-CD1 3.74Å; L174-L201 HydrophobicContact CD2-CD2 3.75Å; L174-L201 HydrophobicContact CD2-CG 4.02Å; L174-T202 PolarHBondContact O-OG1 3.04Å
175K96.8Very high93Very high95 Ų9533.9 Ų33.941%0.41319%0.186SC..  trans-114.1-23.9176.9-63.8-57.6-177.3-1770113.6L85 V98 N173 R205 Q206L85-K175 HydrophobicContact CD2-CB 3.8Å; V98-K175 HydrophobicContact CG1-CB 4.02Å; V98-K175 HydrophobicContact CG1-CG 4.08Å; V98-K175 PolarHBondContact O-N 2.72Å; N173-K175 PolarHBondContact O-N 3.31Å; K175-R205 WeakPolarHBondContact O-CA 3.25Å; K175-Q206 PolarHBondContact O-N 3.39Å
176L97.7Very high92.4Very high0 Ų029.4 Ų29.40%017%0.165CC..EExtended strand (participates in β ladder)trans-137.7124.8-176-171.559.9000112.4V82 L85 V98 A99 I100 I178 Q206 L208V82-L176 HydrophobicContact CB-CD2 4.18Å; V82-L176 HydrophobicContact CG2-CD2 3.43Å; V82-L176 VanDerWaalsContact CG2-CD2 3.43Å; V82-L176 HydrophobicContact CG2-CG 4.41Å; L85-L176 HydrophobicContact CD2-CB 3.7Å; L85-L176 HydrophobicContact CD2-CD2 4.19Å; V98-L176 PolarHBondContact O-N 2.67Å; A99-L176 VanDerWaalsContact CA-O 3.31Å; A99-L176 WeakPolarHBondContact CA-O 3.43Å; A99-L176 HydrophobicContact CB-CB 4.38Å; I100-L176 PolarHBondContact N-O 3.03Å; L176-I178 HydrophobicContact CD2-CD1 4.4Å; L176-I178 HydrophobicContact CG-CD1 4.5Å; L176-I178 HydrophobicContact CG-CG1 4.41Å; L176-Q206 WeakPolarHBondContact CA-O 3.39Å; L176-Q206 HydrophobicContact CD1-CB 3.71Å; L176-Q206 HydrophobicContact CD1-CG 3.66Å; L176-L208 HydrophobicContact CD1-CD1 4.09Å; L176-L208 HydrophobicContact CD1-CG 3.98Å
177L97.8Very high91.6Very high0 Ų030.7 Ų30.70%017%0.172CC..EExtended strand (participates in β ladder)trans-113.7128.6172.6176.465000110.1I100 L102 L179 L198 L201 Q206 T207 L208I100-L177 HydrophobicContact CB-CD1 4.1Å; I100-L177 HydrophobicContact CG2-CD1 3.97Å; I100-L177 CarbonylContact O-C 3.53Å; I100-L177 WeakPolarHBondContact O-CA 3.4Å; L102-L177 HydrophobicContact CD1-CD1 4.41Å; L177-L179 HydrophobicContact CD1-CD2 4.09Å; L177-L179 HydrophobicContact CD2-CD2 4.23Å; L177-L179 HydrophobicContact CG-CD2 4.09Å; L177-L179 HydrophobicContact CG-CG 4.36Å; L177-L198 HydrophobicContact CD2-CD2 3.53Å; L177-L201 HydrophobicContact CD1-CD1 3.97Å; L177-L201 HydrophobicContact CD2-CD1 4.02Å; L177-Q206 PolarHBondContact N-O 3.19Å; L177-T207 HydrophobicContact CD2-CG2 4.38Å; L177-T207 HydrophobicContact CG-CG2 4.49Å; L177-T207 CarbonylContact O-C 3.47Å; L177-T207 VanDerWaalsContact O-CA 3.26Å; L177-T207 WeakPolarHBondContact O-CA 3.44Å; L177-L208 PolarHBondContact O-N 2.88Å
178I97.8Very high90.7Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-116.6130.2175.1-62.8155.3000109.5F78 V82 I100 I101 L102 L176 L208 F210F78-I178 HydrophobicContact CB-CD1 3.78Å; F78-I178 HydrophobicContact CB-CG1 4.21Å; F78-I178 HydrophobicContact CB-CG2 4.25Å; F78-I178 HydrophobicContact CD1-CG2 4.05Å; F78-I178 HydrophobicContact CD2-CD1 3.73Å; F78-I178 HydrophobicContact CD2-CG2 4.03Å; F78-I178 HydrophobicContact CE1-CG2 4.3Å; F78-I178 HydrophobicContact CE2-CG2 4.27Å; F78-I178 HydrophobicContact CG-CD1 4.06Å; F78-I178 HydrophobicContact CG-CG2 3.9Å; F78-I178 HydrophobicContact CZ-CG2 4.4Å; V82-I178 HydrophobicContact CG2-CD1 3.34Å; I100-I178 PolarHBondContact O-N 3.06Å; I101-I178 WeakPolarHBondContact CA-O 3.48Å; I101-I178 HydrophobicContact CB-CB 4.3Å; I101-I178 HydrophobicContact CD1-CD1 4.32Å; I101-I178 HydrophobicContact CG1-CB 3.87Å; I101-I178 HydrophobicContact CG1-CD1 3.57Å; I101-I178 HydrophobicContact CG1-CG1 4.26Å; I101-I178 HydrophobicContact CG1-CG2 4.46Å; I101-I178 HydrophobicContact CG2-CB 4.15Å; I101-I178 HydrophobicContact CG2-CG2 4.03Å; L102-I178 PolarHBondContact N-O 2.88Å; L176-I178 HydrophobicContact CD2-CD1 4.4Å; L176-I178 HydrophobicContact CG-CD1 4.5Å; L176-I178 HydrophobicContact CG-CG1 4.41Å; I178-L208 CarbonylContact C-O 3.52Å; I178-L208 WeakPolarHBondContact CA-O 3.44Å; I178-L208 HydrophobicContact CG1-CB 4.18Å; I178-L208 HydrophobicContact CG1-CD1 4.23Å; I178-L208 HydrophobicContact CG1-CG 4.49Å; I178-F210 HydrophobicContact CG2-CD2 4.1Å; I178-F210 HydrophobicContact CG2-CE2 4.24Å
179L95.7Very high89.9Confident0 Ų030.9 Ų30.90%017%0.173CC..EExtended strand (participates in β ladder)trans-115.598.1176.5-56.4-178.8000108.4L102 L177 L185 L194 T207 L208 F210 L221L102-L179 HydrophobicContact CB-CD2 3.99Å; L102-L179 HydrophobicContact CD1-CD2 3.85Å; L102-L179 HydrophobicContact CG-CD2 4.3Å; L177-L179 HydrophobicContact CD1-CD2 4.09Å; L177-L179 HydrophobicContact CD2-CD2 4.23Å; L177-L179 HydrophobicContact CG-CD2 4.09Å; L177-L179 HydrophobicContact CG-CG 4.36Å; L179-L185 HydrophobicContact CB-CD1 3.87Å; L179-L185 HydrophobicContact CD2-CD1 4.2Å; L179-L194 HydrophobicContact CD2-CD1 4.33Å; L179-T207 HydrophobicContact CD1-CG2 4.49Å; L179-L208 PolarHBondContact N-O 3.4Å; L179-F210 PolarHBondContact O-N 3.19Å; L179-L221 HydrophobicContact CD1-CD1 4.13Å; L179-L221 HydrophobicContact CD1-CD2 3.85Å; L179-L221 HydrophobicContact CD1-CG 4.04Å
180D93.3Very high89.3Confident4 Ų431.5 Ų31.52%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-94142.4179.4-167.526.3000111.5F78 L102 P104 I112 L185F78-D180 HydrophobicContact CE1-CB 4.37Å; F78-D180 HydrophobicContact CZ-CB 4.45Å; L102-D180 PolarHBondContact O-N 3.28Å; P104-D180 WeakPolarHBondContact CD-O 3.4Å; I112-D180 HydrophobicContact CD1-CB 4.47Å; D180-L185 WeakPolarHBondContact O-CD1 3.29Å
181E88Confident88.8Confident8 Ų830.3 Ų30.34%0.03716%0.164CC..THydrogen-bonded Turntrans51.452.5-169.7-60.5-81.7147.700111.4K74 P104 L108 D183 R184 L185 F210 H373K74-E181 IonicContact NZ-OE1 2.66Å; P104-E181 HydrophobicContact CG-CB 3.83Å; L108-E181 HydrophobicContact CD2-CG 3.69Å; E181-D183 PolarHBondContact O-N 3.37Å; E181-R184 HydrophobicContact CB-CB 4.31Å; E181-R184 HydrophobicContact CB-CG 4.32Å; E181-R184 CarbonylContact O-C 3.52Å; E181-R184 WeakPolarHBondContact O-CA 3.41Å; E181-R184 VanDerWaalsContact O-CB 3.27Å; E181-R184 WeakPolarHBondContact O-CB 3.39Å; E181-R184 PolarHBondContact O-N 3.14Å; E181-L185 PolarHBondContact O-N 3.43Å; E181-L185 VanDerWaalsContact O-N 3.07Å; E181-F210 PolarHBondContact N-O 3.05Å; E181-H373 IonicContact OE2-CE1 3.12Å; E181-H373 IonicContact OE2-ND1 3.88Å
182A88.6Confident88.5Confident0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-61.3-34.9-168.900000115.3R184 L185 L186 L209 F210 T218 L221A182-R184 PolarHBondContact O-N 2.93Å; A182-R184 VanDerWaalsContact O-N 3.16Å; A182-L185 PolarHBondContact O-N 2.88Å; A182-L185 VanDerWaalsContact O-N 3.17Å; A182-L186 WeakPolarHBondContact O-CG 3.39Å; A182-L186 PolarHBondContact O-N 3.36Å; A182-L209 HydrophobicContact CB-CD1 3.9Å; A182-L209 HydrophobicContact CB-CD2 3.55Å; A182-L209 HydrophobicContact CB-CG 3.52Å; A182-F210 PolarHBondContact N-O 3.16Å; A182-T218 HydrophobicContact CB-CG2 4.37Å; A182-L221 HydrophobicContact CB-CD2 4.11Å
183D81.3Confident88.5Confident22 Ų2234.9 Ų34.912%0.11818%0.179CC..Hα-helixtrans-56.4-27.7170.860.7-56.3000112E181 S211 T218 H373E181-D183 PolarHBondContact O-N 3.37Å; D183-S211 PolarHBondContact OD1-OG 3.41Å; D183-T218 HydrophobicContact CB-CG2 3.89Å; D183-H373 IonicContact OD2-CE1 3.83Å; D183-H373 PolarHBondContact OD2-CE1 3.18Å; D183-H373 IonicContact OD2-ND1 3.88Å; D183-H373 IonicContact OD2-NE2 2.72Å
184R81.5Confident88.4Confident13 Ų1331.7 Ų31.75%0.04916%0.162CC..Hα-helixtrans-93.8-25.7178-52.1-51.7178.7152.76.7113.8P104 E181 A182 L186 D187 E369 D370 H373P104-R184 HydrophobicContact CB-CB 4.02Å; P104-R184 HydrophobicContact CG-CB 3.92Å; E181-R184 HydrophobicContact CB-CB 4.31Å; E181-R184 HydrophobicContact CB-CG 4.32Å; E181-R184 CarbonylContact O-C 3.52Å; E181-R184 WeakPolarHBondContact O-CA 3.41Å; E181-R184 VanDerWaalsContact O-CB 3.27Å; E181-R184 WeakPolarHBondContact O-CB 3.39Å; E181-R184 PolarHBondContact O-N 3.14Å; A182-R184 PolarHBondContact O-N 2.93Å; A182-R184 VanDerWaalsContact O-N 3.16Å; R184-L186 PolarHBondContact O-N 2.77Å; R184-D187 WeakPolarHBondContact O-CB 3.45Å; R184-D187 PolarHBondContact O-N 2.85Å; R184-E369 PolarHBondContact NH2-O 2.92Å; R184-D370 IonicContact CZ-OD1 3.54Å; R184-D370 IonicContact NH1-OD1 3.53Å; R184-D370 PolarHBondContact NH1-OD1 3.21Å; R184-D370 IonicContact NH2-OD1 2.77Å; R184-D370 PolarHBondContact NH2-OD1 3.07Å; R184-H373 PolarHBondContact NE-CE1 2.75Å; R184-H373 PolarHBondContact NE-ND1 3.2Å; R184-H373 VanDerWaalsContact NE-ND1 3.16Å; R184-H373 PolarHBondContact NH2-CE1 3.44Å; R184-H373 PolarHBondContact NH2-ND1 2.85Å
185L87.6Confident88Confident0 Ų035.3 Ų35.30%018%0.179CC..Hα-helixtrans-64.2-23.3170.2-71.3174.2000111.9L102 P104 P156 L179 D180 E181 A182 D187 L194L102-L185 HydrophobicContact CB-CD1 4.31Å; P104-L185 HydrophobicContact CB-CD2 4.32Å; P156-L185 HydrophobicContact CG-CD2 3.6Å; L179-L185 HydrophobicContact CB-CD1 3.87Å; L179-L185 HydrophobicContact CD2-CD1 4.2Å; D180-L185 WeakPolarHBondContact O-CD1 3.29Å; E181-L185 PolarHBondContact O-N 3.43Å; E181-L185 VanDerWaalsContact O-N 3.07Å; A182-L185 PolarHBondContact O-N 2.88Å; A182-L185 VanDerWaalsContact O-N 3.17Å; L185-D187 VanDerWaalsContact C-N 3.34Å; L185-L194 HydrophobicContact CB-CD2 4.1Å
186L81.7Confident87.7Confident22 Ų2233.3 Ų33.312%0.11518%0.175CC..THydrogen-bonded Turntrans-87.94.2178.4-65.3169.9000114.5A182 R184 L194 A217 T218 L221A182-L186 WeakPolarHBondContact O-CG 3.39Å; A182-L186 PolarHBondContact O-N 3.36Å; R184-L186 PolarHBondContact O-N 2.77Å; L186-L194 HydrophobicContact CD2-CD2 4.02Å; L186-A217 HydrophobicContact CD1-CB 3.9Å; L186-A217 WeakPolarHBondContact CD1-O 3.43Å; L186-T218 HydrophobicContact CD1-CG2 4.01Å; L186-L221 HydrophobicContact CD1-CB 4.02Å; L186-L221 HydrophobicContact CD1-CD2 4.09Å; L186-L221 HydrophobicContact CD2-CB 4.16Å; L186-L221 HydrophobicContact CD2-CD1 4.23Å; L186-L221 HydrophobicContact CD2-CD2 4.13Å; L186-L221 HydrophobicContact CD2-CG 4.42Å; L186-L221 HydrophobicContact CG-CD2 4.08Å
187D78.1Confident87.5Confident32 Ų3233.3 Ų33.317%0.17118%0.175CC..SBendtrans-57.4141.3173.4-128.9-25.2000109R184 L185 T189 F190 R191 R349R184-D187 WeakPolarHBondContact O-CB 3.45Å; R184-D187 PolarHBondContact O-N 2.85Å; L185-D187 VanDerWaalsContact C-N 3.34Å; D187-T189 PolarHBondContact O-N 3.23Å; D187-F190 HydrophobicContact CB-CD2 4.44Å; D187-F190 PolarHBondContact O-N 3.07Å; D187-R191 PolarHBondContact O-N 2.86Å; D187-R349 IonicContact OD2-CZ 2.96Å; D187-R349 VanDerWaalsContact OD2-CZ 3.27Å; D187-R349 IonicContact OD2-NH1 3.97Å; D187-R349 PolarHBondContact OD2-NH1 2.88Å; D187-R349 IonicContact OD2-NH2 3.84Å; D187-R349 PolarHBondContact OD2-NH2 2.87Å
188P73.7Confident87.3Confident93 Ų9334.5 Ų34.560%0.60418%0.181SC*.THydrogen-bonded Turntrans-59-7.5-177.5-25.435000115.2
189T78.5Confident86.9Confident102 Ų10241.8 Ų41.863%0.62622%0.215SC*.THydrogen-bonded Turntrans-78.4-26.9174.3-53.20000112.6D187D187-T189 PolarHBondContact O-N 3.23Å
190F83.2Confident86.7Confident35 Ų3545.8 Ų45.815%0.15424%0.236CC..THydrogen-bonded Turntrans-120-8.3-174-52.2-53.5000113.3P104 P156 D187 E192 D193 L194P104-F190 HydrophobicContact CB-CE2 4.32Å; P156-F190 HydrophobicContact CB-CB 4.29Å; P156-F190 HydrophobicContact CG-CB 4.31Å; D187-F190 HydrophobicContact CB-CD2 4.44Å; D187-F190 PolarHBondContact O-N 3.07Å; F190-E192 PolarHBondContact O-N 3.05Å; F190-D193 PolarHBondContact O-N 3.38Å; F190-L194 WeakPolarHBondContact O-CB 3.43Å; F190-L194 PolarHBondContact O-N 3.49Å
191R84.3Confident86.7Confident67 Ų6746 Ų4625%0.25324%0.237SC..Hα-helixtrans-57.8-47.5-173.2-176177.6-177.21313.7112.1D187 D193 L194 E195D187-R191 PolarHBondContact O-N 2.86Å; R191-D193 VanDerWaalsContact C-N 3.35Å; R191-D193 PolarHBondContact O-N 3.25Å; R191-L194 PolarHBondContact O-N 3.3Å; R191-E195 HydrophobicContact CG-CG 4.48Å; R191-E195 WeakPolarHBondContact CG-OE1 3.43Å; R191-E195 IonicContact CZ-OE1 3.4Å; R191-E195 IonicContact NE-OE1 3.25Å; R191-E195 PolarHBondContact NE-OE1 3.26Å; R191-E195 IonicContact NH2-OE1 2.69Å; R191-E195 WeakPolarHBondContact O-CB 3.23Å; R191-E195 WeakPolarHBondContact O-CG 3.39Å; R191-E195 PolarHBondContact O-N 3.27Å
192E88.6Confident86.9Confident112 Ų11247.5 Ų47.552%0.52325%0.247SC..Hα-helixtrans-63.8-42.6179.2-64.477.2-172.900111.2F190 L194 E195 V196F190-E192 PolarHBondContact O-N 3.05Å; E192-L194 VanDerWaalsContact C-N 3.34Å; E192-L194 PolarHBondContact O-N 3.35Å; E192-E195 PolarHBondContact O-N 2.99Å; E192-V196 VanDerWaalsContact O-CG2 3.3Å; E192-V196 WeakPolarHBondContact O-CG2 3.33Å; E192-V196 PolarHBondContact O-N 2.97Å
193D92.9Very high86.8Confident56 Ų5652 Ų5230%0.29928%0.277SS..Hα-helixtrans-62.9-42.3176.2-69.3-28.7000111P156 G157 A160 F190 R191 V196 I197P156-D193 HydrophobicContact CB-CB 4.1Å; G157-D193 WeakPolarHBondContact CA-OD2 3.25Å; A160-D193 HydrophobicContact CB-CB 3.95Å; F190-D193 PolarHBondContact O-N 3.38Å; R191-D193 VanDerWaalsContact C-N 3.35Å; R191-D193 PolarHBondContact O-N 3.25Å; D193-V196 PolarHBondContact O-N 3.14Å; D193-I197 VanDerWaalsContact O-CD1 3.32Å; D193-I197 WeakPolarHBondContact O-CD1 3.45Å; D193-I197 WeakPolarHBondContact O-CG1 3.46Å; D193-I197 PolarHBondContact O-N 3.29Å
194L91.9Very high87.3Confident4 Ų455.8 Ų55.82%0.02130%0.297CS..Hα-helixtrans-66.4-43178.6-174.566.7000111.8L102 L179 L185 L186 F190 R191 E192 I197 L198 L221L102-L194 HydrophobicContact CD1-CD1 3.77Å; L179-L194 HydrophobicContact CD2-CD1 4.33Å; L185-L194 HydrophobicContact CB-CD2 4.1Å; L186-L194 HydrophobicContact CD2-CD2 4.02Å; F190-L194 WeakPolarHBondContact O-CB 3.43Å; F190-L194 PolarHBondContact O-N 3.49Å; R191-L194 PolarHBondContact O-N 3.3Å; E192-L194 VanDerWaalsContact C-N 3.34Å; E192-L194 PolarHBondContact O-N 3.35Å; L194-I197 PolarHBondContact O-N 3.08Å; L194-L198 HydrophobicContact CD1-CG 4.44Å; L194-L198 HydrophobicContact CG-CD1 4.12Å; L194-L198 HydrophobicContact CG-CG 4.45Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 2.94Å; L194-L221 HydrophobicContact CD2-CD1 3.92Å; L194-L221 HydrophobicContact CD2-CD2 4.44Å
195E88.9Confident87.9Confident77 Ų7756.4 Ų56.436%0.3630%0.299SS..Hα-helixtrans-60.2-45.3175.9-75.9173.6-171.200111R191 E192 I197 L198 Q199R191-E195 HydrophobicContact CG-CG 4.48Å; R191-E195 WeakPolarHBondContact CG-OE1 3.43Å; R191-E195 IonicContact CZ-OE1 3.4Å; R191-E195 IonicContact NE-OE1 3.25Å; R191-E195 PolarHBondContact NE-OE1 3.26Å; R191-E195 IonicContact NH2-OE1 2.69Å; R191-E195 WeakPolarHBondContact O-CB 3.23Å; R191-E195 WeakPolarHBondContact O-CG 3.39Å; R191-E195 PolarHBondContact O-N 3.27Å; E192-E195 PolarHBondContact O-N 2.99Å; E195-I197 VanDerWaalsContact C-N 3.31Å; E195-I197 PolarHBondContact O-N 3.39Å; E195-L198 PolarHBondContact O-N 2.95Å; E195-Q199 WeakPolarHBondContact O-CB 3.33Å; E195-Q199 VanDerWaalsContact O-CG 3.22Å; E195-Q199 WeakPolarHBondContact O-CG 3.28Å; E195-Q199 PolarHBondContact O-N 3.3Å; E195-Q199 VanDerWaalsContact O-N 3.09Å
196V90.1Very high88.3Confident52 Ų5257.4 Ų57.432%0.31530%0.304SS..Hα-helixtrans-59.9-42.6173.91700000111E192 D193 N200E192-V196 VanDerWaalsContact O-CG2 3.3Å; E192-V196 WeakPolarHBondContact O-CG2 3.33Å; E192-V196 PolarHBondContact O-N 2.97Å; D193-V196 PolarHBondContact O-N 3.14Å; V196-N200 PolarHBondContact O-N 3.09Å; V196-N200 PolarHBondContact O-ND2 3.21Å; V196-N200 VanDerWaalsContact O-ND2 3.08Å
197I94.4Very high89Confident0 Ų056.3 Ų56.30%030%0.298CS..Hα-helixtrans-60.8-54.5178.7-66.7157000111.2L102 P156 M159 A160 Q163 D193 L194 E195 Q199 N200 L201L102-I197 HydrophobicContact CD1-CD1 4.15Å; L102-I197 HydrophobicContact CD1-CG2 4.01Å; L102-I197 HydrophobicContact CD2-CD1 4.49Å; P156-I197 HydrophobicContact CB-CD1 4Å; P156-I197 WeakPolarHBondContact O-CD1 3.46Å; M159-I197 HydrophobicContact CB-CD1 3.78Å; M159-I197 HydrophobicContact CB-CG1 4.28Å; M159-I197 HydrophobicContact CG-CD1 3.91Å; M159-I197 HydrophobicContact CG-CG1 3.99Å; M159-I197 HydrophobicContact CG-CG2 4.22Å; A160-I197 HydrophobicContact CB-CD1 4.16Å; A160-I197 HydrophobicContact CB-CG1 3.98Å; Q163-I197 PolarHBondContact NE2-O 3.32Å; D193-I197 VanDerWaalsContact O-CD1 3.32Å; D193-I197 WeakPolarHBondContact O-CD1 3.45Å; D193-I197 WeakPolarHBondContact O-CG1 3.46Å; D193-I197 PolarHBondContact O-N 3.29Å; L194-I197 PolarHBondContact O-N 3.08Å; E195-I197 VanDerWaalsContact C-N 3.31Å; E195-I197 PolarHBondContact O-N 3.39Å; I197-Q199 VanDerWaalsContact C-N 3.25Å; I197-Q199 PolarHBondContact O-N 3.36Å; I197-N200 PolarHBondContact O-N 3.34Å; I197-N200 VanDerWaalsContact O-N 3.08Å; I197-L201 HydrophobicContact CG2-CD1 3.81Å; I197-L201 HydrophobicContact CG2-CG 4.16Å; I197-L201 WeakPolarHBondContact O-CG 3.49Å; I197-L201 PolarHBondContact O-N 3.49Å
198L92.6Very high89.9Confident26 Ų2654.8 Ų54.814%0.13629%0.29CS..Hα-helixtrans-61.4-34.2-175.9-66174.1000112.7L177 L194 E195 N200 L221L177-L198 HydrophobicContact CD2-CD2 3.53Å; L194-L198 HydrophobicContact CD1-CG 4.44Å; L194-L198 HydrophobicContact CG-CD1 4.12Å; L194-L198 HydrophobicContact CG-CG 4.45Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 2.94Å; E195-L198 PolarHBondContact O-N 2.95Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-L221 HydrophobicContact CD1-CD1 3.63Å
199Q90Very high90.9Very high152 Ų15250.4 Ų50.471%0.7126%0.261SS*.Hα-helixtrans-68.2-31.2176.6-74.3171.214.400113.3E195 I197E195-Q199 WeakPolarHBondContact O-CB 3.33Å; E195-Q199 VanDerWaalsContact O-CG 3.22Å; E195-Q199 WeakPolarHBondContact O-CG 3.28Å; E195-Q199 PolarHBondContact O-N 3.3Å; E195-Q199 VanDerWaalsContact O-N 3.09Å; I197-Q199 VanDerWaalsContact C-N 3.25Å; I197-Q199 PolarHBondContact O-N 3.36Å
200N91.9Very high91.6Very high84 Ų8445.5 Ų45.545%0.44923%0.232SC..Hα-helixtrans-90-10.7-178.2-69.4-31.9000113.4V196 I197 L198V196-N200 PolarHBondContact O-N 3.09Å; V196-N200 PolarHBondContact O-ND2 3.21Å; V196-N200 VanDerWaalsContact O-ND2 3.08Å; I197-N200 PolarHBondContact O-N 3.34Å; I197-N200 VanDerWaalsContact O-N 3.08Å; L198-N200 VanDerWaalsContact C-N 3.34Å
201L93.9Very high91.8Very high8 Ų843.9 Ų43.94%0.04222%0.224CC..SBendtrans-87.8142178.4-66.3-177.8000111.4I100 T171 L174 L177 I197 R205I100-L201 HydrophobicContact CD1-CD1 4.45Å; I100-L201 HydrophobicContact CD1-CD2 3.87Å; T171-L201 HydrophobicContact CG2-CD2 3.99Å; L174-L201 HydrophobicContact CD2-CB 4.07Å; L174-L201 HydrophobicContact CD2-CD1 3.74Å; L174-L201 HydrophobicContact CD2-CD2 3.75Å; L174-L201 HydrophobicContact CD2-CG 4.02Å; L177-L201 HydrophobicContact CD1-CD1 3.97Å; L177-L201 HydrophobicContact CD2-CD1 4.02Å; I197-L201 HydrophobicContact CG2-CD1 3.81Å; I197-L201 HydrophobicContact CG2-CG 4.16Å; I197-L201 WeakPolarHBondContact O-CG 3.49Å; I197-L201 PolarHBondContact O-N 3.49Å; L201-R205 PolarHBondContact O-NH1 3.06Å; L201-R205 VanDerWaalsContact O-NH1 3.13Å
202T90.8Very high91.5Very high41 Ų4141.4 Ų41.425%0.25222%0.219SC..  trans-58128.2178.148.50000111.2L174 D204 R205L174-T202 PolarHBondContact O-OG1 3.04Å; T202-D204 PolarHBondContact O-N 2.97Å; T202-R205 VanDerWaalsContact C-NH1 3.32Å; T202-R205 VanDerWaalsContact O-CD 3.28Å; T202-R205 WeakPolarHBondContact O-CD 3.3Å; T202-R205 WeakPolarHBondContact O-CG 3.49Å; T202-R205 PolarHBondContact O-NH1 3.37Å
203P87.1Confident90.8Very high95 Ų9536.5 Ų36.562%0.61720%0.196SC*.SBendtrans-69.8-23.6-175.328.4-35.4000112.5R205 R227P203-R205 VanDerWaalsContact C-N 3.26Å; P203-R205 PolarHBondContact O-N 3.02Å; P203-R227 VanDerWaalsContact O-CZ 3.24Å; P203-R227 PolarHBondContact O-NH2 3.36Å
204D91.1Very high89.9Confident101 Ų10135.3 Ų35.354%0.5419%0.19SC..SBendtrans-79.573.1176.5-168.546.1000111.8T202 R227T202-D204 PolarHBondContact O-N 2.97Å; D204-R227 IonicContact OD1-NH1 2.66Å; D204-R227 PolarHBondContact OD1-NH1 3Å
205R94.9Very high88.9Confident26 Ų2636.8 Ų36.810%0.09820%0.199CC..SBendtrans-148.3154.4-179.467.2-178.3-174-94.4-1.7110K175 L201 T202 P203K175-R205 WeakPolarHBondContact O-CA 3.25Å; L201-R205 PolarHBondContact O-NH1 3.06Å; L201-R205 VanDerWaalsContact O-NH1 3.13Å; T202-R205 VanDerWaalsContact C-NH1 3.32Å; T202-R205 VanDerWaalsContact O-CD 3.28Å; T202-R205 WeakPolarHBondContact O-CD 3.3Å; T202-R205 WeakPolarHBondContact O-CG 3.49Å; T202-R205 PolarHBondContact O-NH1 3.37Å; P203-R205 VanDerWaalsContact C-N 3.26Å; P203-R205 PolarHBondContact O-N 3.02Å
206Q96.5Very high88.1Confident20 Ų2039.2 Ų39.29%0.09321%0.208CC..EExtended strand (participates in β ladder)trans-79.1142164.6-178.8-175.32100109.6A58 G61 Q62 D63 K175 L176 L177 L208A58-Q206 PolarHBondContact O-NE2 3.4Å; G61-Q206 VanDerWaalsContact C-NE2 3.29Å; Q62-Q206 PolarHBondContact O-NE2 2.91Å; D63-Q206 WeakPolarHBondContact OD1-CA 3.3Å; K175-Q206 PolarHBondContact O-N 3.39Å; L176-Q206 WeakPolarHBondContact CA-O 3.39Å; L176-Q206 HydrophobicContact CD1-CB 3.71Å; L176-Q206 HydrophobicContact CD1-CG 3.66Å; L177-Q206 PolarHBondContact N-O 3.19Å; Q206-L208 HydrophobicContact CG-CD2 4.22Å
207T96.9Very high87.1Confident0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-123.4131.5174.5-59.10000110.7D63 V64 L177 L179 S225 M226D63-T207 VanDerWaalsContact CA-O 3.32Å; D63-T207 WeakPolarHBondContact CA-O 3.38Å; D63-T207 PolarHBondContact OD1-N 3.16Å; V64-T207 PolarHBondContact N-O 3.43Å; L177-T207 HydrophobicContact CD2-CG2 4.38Å; L177-T207 HydrophobicContact CG-CG2 4.49Å; L177-T207 CarbonylContact O-C 3.47Å; L177-T207 VanDerWaalsContact O-CA 3.26Å; L177-T207 WeakPolarHBondContact O-CA 3.44Å; L179-T207 HydrophobicContact CD1-CG2 4.49Å; T207-S225 PolarHBondContact OG1-O 2.99Å; T207-M226 HydrophobicContact CG2-CE 4.17Å; T207-M226 HydrophobicContact CG2-CG 3.91Å; T207-M226 HydrophobicContact CG2-SD 4.36Å; T207-M226 WeakPolarHBondContact O-CE 3.48Å
208L96.7Very high86Confident0 Ų038.6 Ų38.60%021%0.208CC..EExtended strand (participates in β ladder)trans-118.3119.9174-49.6176.5000109.4A58 V64 F78 P81 L176 L177 I178 L179 Q206 F210A58-L208 HydrophobicContact CB-CD1 4.21Å; A58-L208 HydrophobicContact CB-CD2 4.1Å; V64-L208 HydrophobicContact CB-CD2 3.75Å; V64-L208 HydrophobicContact CG2-CD2 3.81Å; V64-L208 WeakPolarHBondContact O-CA 3.36Å; F78-L208 HydrophobicContact CB-CD1 4.2Å; P81-L208 HydrophobicContact CB-CD1 4.46Å; L176-L208 HydrophobicContact CD1-CD1 4.09Å; L176-L208 HydrophobicContact CD1-CG 3.98Å; L177-L208 PolarHBondContact O-N 2.88Å; I178-L208 CarbonylContact C-O 3.52Å; I178-L208 WeakPolarHBondContact CA-O 3.44Å; I178-L208 HydrophobicContact CG1-CB 4.18Å; I178-L208 HydrophobicContact CG1-CD1 4.23Å; I178-L208 HydrophobicContact CG1-CG 4.49Å; L179-L208 PolarHBondContact N-O 3.4Å; Q206-L208 HydrophobicContact CG-CD2 4.22Å; L208-F210 HydrophobicContact CB-CD2 4.4Å; L208-F210 HydrophobicContact CB-CE2 3.61Å; L208-F210 HydrophobicContact CB-CZ 4.38Å; L208-F210 HydrophobicContact CD1-CE2 4.5Å
209L94.8Very high85.3Confident0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-108.9126-179.1-173.1154.4000109.5V64 V65 A66 A182 L221 V222 M226V64-L209 PolarHBondContact O-N 3.23Å; V65-L209 HydrophobicContact CG1-CD2 4.25Å; V65-L209 HydrophobicContact CG2-CB 4.38Å; A66-L209 PolarHBondContact N-O 2.91Å; A182-L209 HydrophobicContact CB-CD1 3.9Å; A182-L209 HydrophobicContact CB-CD2 3.55Å; A182-L209 HydrophobicContact CB-CG 3.52Å; L209-L221 HydrophobicContact CD1-CB 4.46Å; L209-L221 HydrophobicContact CD1-CD2 3.81Å; L209-L221 HydrophobicContact CD1-CG 4.07Å; L209-V222 HydrophobicContact CD1-CG2 3.83Å; L209-M226 HydrophobicContact CB-CE 4.29Å; L209-M226 HydrophobicContact CB-SD 3.98Å; L209-M226 HydrophobicContact CD1-SD 4.41Å
210F92.5Very high84.6Confident0 Ų035.8 Ų35.80%020%0.195CC..EExtended strand (participates in β ladder)trans-119.6128.5177.8-67.2-94.1000109.9V54 A66 K74 A77 F78 I178 L179 E181 A182 L208V54-F210 HydrophobicContact CG1-CE1 4.29Å; V54-F210 HydrophobicContact CG1-CZ 3.99Å; V54-F210 HydrophobicContact CG2-CE1 4.16Å; A66-F210 HydrophobicContact CB-CD1 3.46Å; A66-F210 VanDerWaalsContact CB-CD1 3.46Å; A66-F210 HydrophobicContact CB-CE1 3.52Å; A66-F210 HydrophobicContact CB-CG 4.25Å; A66-F210 HydrophobicContact CB-CZ 4.33Å; A66-F210 WeakPolarHBondContact O-CA 3.41Å; K74-F210 HydrophobicContact CB-CD1 3.9Å; K74-F210 HydrophobicContact CB-CE1 4.42Å; K74-F210 HydrophobicContact CD-CB 4.25Å; K74-F210 HydrophobicContact CD-CD1 4.09Å; K74-F210 HydrophobicContact CG-CD1 4.08Å; A77-F210 HydrophobicContact CB-CE1 4.27Å; F78-F210 HydrophobicContact CB-CD2 4.49Å; F78-F210 HydrophobicContact CB-CE2 3.55Å; F78-F210 HydrophobicContact CB-CZ 3.7Å; F78-F210 HydrophobicContact CD1-CD1 4.34Å; F78-F210 AromaticContact CD1-CD2 3.66Å; F78-F210 HydrophobicContact CD1-CD2 3.66Å; F78-F210 HydrophobicContact CD1-CE1 4.18Å; F78-F210 AromaticContact CD1-CE2 3.49Å; F78-F210 HydrophobicContact CD1-CE2 3.49Å; F78-F210 VanDerWaalsContact CD1-CE2 3.49Å; F78-F210 HydrophobicContact CD1-CG 4.1Å; F78-F210 AromaticContact CD1-CZ 3.77Å; F78-F210 HydrophobicContact CD1-CZ 3.77Å; F78-F210 HydrophobicContact CE1-CD2 4.28Å; F78-F210 HydrophobicContact CE1-CG 4.49Å; F78-F210 HydrophobicContact CG-CD2 4.46Å; F78-F210 AromaticContact CG-CE2 3.94Å; F78-F210 HydrophobicContact CG-CE2 3.94Å; F78-F210 HydrophobicContact CG-CZ 4.25Å; I178-F210 HydrophobicContact CG2-CD2 4.1Å; I178-F210 HydrophobicContact CG2-CE2 4.24Å; L179-F210 PolarHBondContact O-N 3.19Å; E181-F210 PolarHBondContact N-O 3.05Å; A182-F210 PolarHBondContact N-O 3.16Å; L208-F210 HydrophobicContact CB-CD2 4.4Å; L208-F210 HydrophobicContact CB-CE2 3.61Å; L208-F210 HydrophobicContact CB-CZ 4.38Å; L208-F210 HydrophobicContact CD1-CE2 4.5Å
211S87.6Confident84Confident0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans-145.8157173.2-177.40000111A66 E67 A68 D183 T213A66-S211 PolarHBondContact O-N 3.47Å; E67-S211 WeakPolarHBondContact CA-O 3.41Å; A68-S211 PolarHBondContact N-O 3.3Å; D183-S211 PolarHBondContact OD1-OG 3.41Å; S211-T213 PolarHBondContact OG-N 3.24Å; S211-T213 VanDerWaalsContact OG-N 3.13Å; S211-T213 PolarHBondContact OG-O 3.01Å
212A78.3Confident83.3Confident16 Ų1632.2 Ų32.213%0.13218%0.176CC..SBendtrans-81.1-21.9169.400000112.4A68A68-A212 WeakPolarHBondContact O-CA 3.23Å
213T73.3Confident82.9Confident9 Ų938.1 Ų38.16%0.05519%0.194CC..SBendtrans-142127.3-178.858.60000110.8S211 T215 L253 I372S211-T213 PolarHBondContact OG-N 3.24Å; S211-T213 VanDerWaalsContact OG-N 3.13Å; S211-T213 PolarHBondContact OG-O 3.01Å; T213-T215 PolarHBondContact O-N 3Å; T213-L253 HydrophobicContact CG2-CD2 3.73Å; T213-I372 HydrophobicContact CG2-CD1 3.96Å
214L74Confident82.5Confident31 Ų3140 Ų4016%0.16220%0.199CC..  trans-84.9110.9172.3-64178.6000110.3V65 E67 T231 L249V65-L214 HydrophobicContact CG1-CD1 4.23Å; V65-L214 HydrophobicContact CG1-CD2 3.63Å; E67-L214 HydrophobicContact CB-CD1 4Å; E67-L214 HydrophobicContact CB-CG 4Å; E67-L214 HydrophobicContact CG-CD1 4.48Å; E67-L214 HydrophobicContact CG-CG 4.13Å; E67-L214 PolarHBondContact OE1-N 3.43Å; L214-T231 HydrophobicContact CD1-CG2 4.21Å; L214-L249 WeakPolarHBondContact O-CD2 3.39Å
215T71.8Confident82Confident35 Ų3535.9 Ų35.922%0.21518%0.177CC..  trans-107.2168.3177.267.90000111.3T213 A217 T218 D219T213-T215 PolarHBondContact O-N 3Å; T215-A217 PolarHBondContact O-N 3.11Å; T215-A217 PolarHBondContact OG1-N 2.81Å; T215-T218 PolarHBondContact N-OG1 2.72Å; T215-T218 PolarHBondContact O-N 3.32Å; T215-T218 VanDerWaalsContact O-N 3.16Å; T215-T218 PolarHBondContact O-OG1 2.76Å; T215-T218 PolarHBondContact OG1-N 3.34Å; T215-T218 PolarHBondContact OG1-OG1 2.92Å; T215-D219 PolarHBondContact O-N 3.12Å
216K70.3Confident81.7Confident128 Ų12835.4 Ų35.456%0.55718%0.177SC*.Hα-helixtrans-60.1-30.4171.5-67.3-173.9178.7-178.70112.6D219 Q220 L249K216-D219 PolarHBondContact O-N 3.17Å; K216-Q220 PolarHBondContact O-N 3.18Å; K216-L249 HydrophobicContact CG-CD1 4.44Å; K216-L249 HydrophobicContact CG-CD2 4.33Å
217A69.1Low81.1Confident37 Ų3741.1 Ų41.131%0.30620%0.197SC..Hα-helixtrans-68.1-42.5176.900000110.5L186 T215 D219 Q220 L221L186-A217 HydrophobicContact CD1-CB 3.9Å; L186-A217 WeakPolarHBondContact CD1-O 3.43Å; T215-A217 PolarHBondContact O-N 3.11Å; T215-A217 PolarHBondContact OG1-N 2.81Å; A217-D219 VanDerWaalsContact C-N 3.29Å; A217-D219 PolarHBondContact O-N 2.66Å; A217-Q220 WeakPolarHBondContact O-CB 3.17Å; A217-Q220 PolarHBondContact O-N 3.17Å; A217-L221 PolarHBondContact O-N 3.49Å
218T72.8Confident80.6Confident2 Ų247 Ų471%0.01223%0.228CC..Hα-helixtrans-64.8-34.3174.352.10000111.6A182 D183 L186 T215 Q220 L221 V222A182-T218 HydrophobicContact CB-CG2 4.37Å; D183-T218 HydrophobicContact CB-CG2 3.89Å; L186-T218 HydrophobicContact CD1-CG2 4.01Å; T215-T218 PolarHBondContact N-OG1 2.72Å; T215-T218 PolarHBondContact O-N 3.32Å; T215-T218 VanDerWaalsContact O-N 3.16Å; T215-T218 PolarHBondContact O-OG1 2.76Å; T215-T218 PolarHBondContact OG1-N 3.34Å; T215-T218 PolarHBondContact OG1-OG1 2.92Å; T218-Q220 VanDerWaalsContact C-N 3.28Å; T218-Q220 PolarHBondContact O-N 3.39Å; T218-L221 WeakPolarHBondContact O-CB 3.16Å; T218-L221 PolarHBondContact O-N 3.26Å; T218-L221 VanDerWaalsContact O-N 3.09Å; T218-V222 VanDerWaalsContact O-CG2 3.27Å; T218-V222 WeakPolarHBondContact O-CG2 3.44Å; T218-V222 PolarHBondContact O-N 3.12Å
219D77.6Confident80.3Confident24 Ų2447.4 Ų47.413%0.12823%0.231CC..Hα-helixtrans-61.2-35.8173.9-16555.4000112.4T215 K216 A217 V222 R223T215-D219 PolarHBondContact O-N 3.12Å; K216-D219 PolarHBondContact O-N 3.17Å; A217-D219 VanDerWaalsContact C-N 3.29Å; A217-D219 PolarHBondContact O-N 2.66Å; D219-V222 PolarHBondContact O-N 3.29Å; D219-R223 VanDerWaalsContact O-CG 3.28Å; D219-R223 WeakPolarHBondContact O-CG 3.24Å; D219-R223 PolarHBondContact O-N 3.47Å; D219-R223 IonicContact OD2-CZ 3.77Å; D219-R223 VanDerWaalsContact OD2-CZ 3.24Å; D219-R223 IonicContact OD2-NE 3.35Å; D219-R223 PolarHBondContact OD2-NE 3.17Å; D219-R223 IonicContact OD2-NH2 2.72Å; D219-R223 PolarHBondContact OD2-NH2 3.08Å
220Q74.3Confident80Confident94 Ų9448.5 Ų48.544%0.43924%0.237SC..Hα-helixtrans-64.1-43172.3-67.4-178.7-12.700111.9K216 A217 T218 R223 L224K216-Q220 PolarHBondContact O-N 3.18Å; A217-Q220 WeakPolarHBondContact O-CB 3.17Å; A217-Q220 PolarHBondContact O-N 3.17Å; T218-Q220 VanDerWaalsContact C-N 3.28Å; T218-Q220 PolarHBondContact O-N 3.39Å; Q220-R223 PolarHBondContact O-N 3.02Å; Q220-L224 WeakPolarHBondContact O-CB 3.26Å; Q220-L224 VanDerWaalsContact O-CG 3.3Å; Q220-L224 WeakPolarHBondContact O-CG 3.49Å; Q220-L224 PolarHBondContact O-N 3.18Å; Q220-L224 VanDerWaalsContact O-N 3.07Å
221L78.9Confident79.8Confident5 Ų549.4 Ų49.43%0.02624%0.243CC..Hα-helixtrans-62.3-45.1177.5-174.661.9000110.9L179 A182 L186 L194 L198 L209 A217 T218 R223 L224 S225L179-L221 HydrophobicContact CD1-CD1 4.13Å; L179-L221 HydrophobicContact CD1-CD2 3.85Å; L179-L221 HydrophobicContact CD1-CG 4.04Å; A182-L221 HydrophobicContact CB-CD2 4.11Å; L186-L221 HydrophobicContact CD1-CB 4.02Å; L186-L221 HydrophobicContact CD1-CD2 4.09Å; L186-L221 HydrophobicContact CD2-CB 4.16Å; L186-L221 HydrophobicContact CD2-CD1 4.23Å; L186-L221 HydrophobicContact CD2-CD2 4.13Å; L186-L221 HydrophobicContact CD2-CG 4.42Å; L186-L221 HydrophobicContact CG-CD2 4.08Å; L194-L221 HydrophobicContact CD2-CD1 3.92Å; L194-L221 HydrophobicContact CD2-CD2 4.44Å; L198-L221 HydrophobicContact CD1-CD1 3.63Å; L209-L221 HydrophobicContact CD1-CB 4.46Å; L209-L221 HydrophobicContact CD1-CD2 3.81Å; L209-L221 HydrophobicContact CD1-CG 4.07Å; A217-L221 PolarHBondContact O-N 3.49Å; T218-L221 WeakPolarHBondContact O-CB 3.16Å; T218-L221 PolarHBondContact O-N 3.26Å; T218-L221 VanDerWaalsContact O-N 3.09Å; L221-R223 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 2.9Å; L221-L224 PolarHBondContact O-N 3.34Å; L221-L224 VanDerWaalsContact O-N 3.15Å; L221-S225 PolarHBondContact O-N 2.86Å; L221-S225 PolarHBondContact O-OG 3.06Å
222V81.1Confident79.8Confident12 Ų1249.4 Ų49.47%0.07324%0.243CC..Hα-helixtrans-54.6-49.2175.2173.50000111V65 L209 T218 D219 L224 M226 P229V65-V222 HydrophobicContact CG2-CG1 4.11Å; V65-V222 HydrophobicContact CG2-CG2 3.63Å; L209-V222 HydrophobicContact CD1-CG2 3.83Å; T218-V222 VanDerWaalsContact O-CG2 3.27Å; T218-V222 WeakPolarHBondContact O-CG2 3.44Å; T218-V222 PolarHBondContact O-N 3.12Å; D219-V222 PolarHBondContact O-N 3.29Å; V222-L224 VanDerWaalsContact C-N 3.3Å; V222-L224 PolarHBondContact O-N 3.47Å; V222-M226 HydrophobicContact CB-SD 4.29Å; V222-M226 HydrophobicContact CG1-SD 4.06Å; V222-M226 HydrophobicContact CG2-SD 4.07Å; V222-M226 VanDerWaalsContact O-CB 3.27Å; V222-M226 WeakPolarHBondContact O-CB 3.46Å; V222-M226 PolarHBondContact O-N 2.83Å; V222-P229 HydrophobicContact CG1-CG 3.59Å
223R81.2Confident80Confident166 Ų16649 Ų4963%0.62624%0.239SC*.Hα-helixtrans-65.1-31179.7-69.1173.2-166.9-146.42.1113.9D219 Q220 L221D219-R223 VanDerWaalsContact O-CG 3.28Å; D219-R223 WeakPolarHBondContact O-CG 3.24Å; D219-R223 PolarHBondContact O-N 3.47Å; D219-R223 IonicContact OD2-CZ 3.77Å; D219-R223 VanDerWaalsContact OD2-CZ 3.24Å; D219-R223 IonicContact OD2-NE 3.35Å; D219-R223 PolarHBondContact OD2-NE 3.17Å; D219-R223 IonicContact OD2-NH2 2.72Å; D219-R223 PolarHBondContact OD2-NH2 3.08Å; Q220-R223 PolarHBondContact O-N 3.02Å; L221-R223 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 2.9Å
224L78.2Confident79.9Confident135 Ų13550.2 Ų50.271%0.70725%0.246SC*.Hα-helixtrans-86.1-27.9-177.1-71.7172.7000113.1Q220 L221 V222Q220-L224 WeakPolarHBondContact O-CB 3.26Å; Q220-L224 VanDerWaalsContact O-CG 3.3Å; Q220-L224 WeakPolarHBondContact O-CG 3.49Å; Q220-L224 PolarHBondContact O-N 3.18Å; Q220-L224 VanDerWaalsContact O-N 3.07Å; L221-L224 PolarHBondContact O-N 3.34Å; L221-L224 VanDerWaalsContact O-N 3.15Å; V222-L224 VanDerWaalsContact C-N 3.3Å; V222-L224 PolarHBondContact O-N 3.47Å
225S81.8Confident79.4Confident13 Ų1352.4 Ų52.49%0.09126%0.258CS..Hα-helixtrans-114.6-11.3-172.268.50000115.5T207 L221T207-S225 PolarHBondContact OG1-O 2.99Å; L221-S225 PolarHBondContact O-N 2.86Å; L221-S225 PolarHBondContact O-OG 3.06Å
226M87.6Confident78.8Confident17 Ų1754.9 Ų54.98%0.08427%0.27CS..  trans-125.9153.6-168.5-46.8-175.476.500113.1D63 V64 V65 T207 L209 V222 P229D63-M226 HydrophobicContact CB-CB 4.29Å; D63-M226 HydrophobicContact CB-CE 3.72Å; D63-M226 WeakPolarHBondContact OD2-CA 3.49Å; D63-M226 VanDerWaalsContact OD2-CB 3.3Å; D63-M226 WeakPolarHBondContact OD2-CB 3.49Å; V64-M226 VanDerWaalsContact O-CE 3.28Å; V64-M226 WeakPolarHBondContact O-CE 3.38Å; V65-M226 HydrophobicContact CG2-CE 3.98Å; V65-M226 HydrophobicContact CG2-SD 3.66Å; T207-M226 HydrophobicContact CG2-CE 4.17Å; T207-M226 HydrophobicContact CG2-CG 3.91Å; T207-M226 HydrophobicContact CG2-SD 4.36Å; T207-M226 WeakPolarHBondContact O-CE 3.48Å; L209-M226 HydrophobicContact CB-CE 4.29Å; L209-M226 HydrophobicContact CB-SD 3.98Å; L209-M226 HydrophobicContact CD1-SD 4.41Å; V222-M226 HydrophobicContact CB-SD 4.29Å; V222-M226 HydrophobicContact CG1-SD 4.06Å; V222-M226 HydrophobicContact CG2-SD 4.07Å; V222-M226 VanDerWaalsContact O-CB 3.27Å; V222-M226 WeakPolarHBondContact O-CB 3.46Å; V222-M226 PolarHBondContact O-N 2.83Å; M226-P229 HydrophobicContact CB-CB 4.23Å; M226-P229 HydrophobicContact CB-CG 4.27Å; M226-P229 HydrophobicContact CE-CB 3.93Å; M226-P229 HydrophobicContact SD-CB 4.24Å
227R85.3Confident78Confident140 Ų14054.4 Ų54.453%0.52827%0.273SS..SBendtrans-115.8113177.9-60.5173.2-178172.7-3.2109.6D63 P203 D204D63-R227 PolarHBondContact OD2-N 2.82Å; P203-R227 VanDerWaalsContact O-CZ 3.24Å; P203-R227 PolarHBondContact O-NH2 3.36Å; D204-R227 IonicContact OD1-NH1 2.66Å; D204-R227 PolarHBondContact OD1-NH1 3Å
228N85.5Confident77.3Confident122 Ų12257.4 Ų57.465%0.65228%0.284SS*.SBendtrans42.859.4178.9-63.9-25.9000114
229P89.8Confident76.6Confident10 Ų1061 Ų617%0.06530%0.303CS..PPolyproline II helixtrans-71.8142.8-171.730.5-35.5000112.3D63 V65 V222 M226 T242D63-P229 HydrophobicContact CB-CB 4.02Å; D63-P229 WeakPolarHBondContact O-CA 3.46Å; V65-P229 HydrophobicContact CG2-CB 3.99Å; V65-P229 HydrophobicContact CG2-CG 4.36Å; V222-P229 HydrophobicContact CG1-CG 3.59Å; M226-P229 HydrophobicContact CB-CB 4.23Å; M226-P229 HydrophobicContact CB-CG 4.27Å; M226-P229 HydrophobicContact CE-CB 3.93Å; M226-P229 HydrophobicContact SD-CB 4.24Å; P229-T242 WeakPolarHBondContact O-CB 3.29Å; P229-T242 PolarHBondContact O-N 3.01Å; P229-T242 PolarHBondContact O-OG1 2.87Å
230I89.5Confident75.8Confident23 Ų2363.9 Ų63.912%0.11832%0.318CS..EExtended strand (participates in β ladder)trans-82.1123.6169.6-66.4176.8000108.6P57 Q62 D63 V64 V65 V232 I239P57-I230 HydrophobicContact CB-CD1 3.76Å; Q62-I230 HydrophobicContact CB-CD1 4.17Å; Q62-I230 HydrophobicContact CG-CD1 4.43Å; D63-I230 PolarHBondContact O-N 2.88Å; V64-I230 CarbonylContact C-O 3.5Å; V64-I230 WeakPolarHBondContact CA-O 3.22Å; V65-I230 PolarHBondContact N-O 2.69Å; I230-V232 HydrophobicContact CG2-CG1 4.02Å; I230-I239 HydrophobicContact CG2-CG2 3.38Å
231T88.8Confident74.7Confident19 Ų1963.3 Ų63.312%0.11732%0.324CS..EExtended strand (participates in β ladder)trans-94.3125.8174.9-64.50000109.8V65 L214 N240 T242V65-T231 HydrophobicContact CG1-CG2 4.41Å; V65-T231 CarbonylContact O-C 3.4Å; V65-T231 WeakPolarHBondContact O-CA 3.38Å; L214-T231 HydrophobicContact CD1-CG2 4.21Å; T231-N240 PolarHBondContact N-O 3.38Å; T231-N240 PolarHBondContact O-N 2.9Å; T231-T242 PolarHBondContact OG1-OG1 2.91Å
232V86.4Confident73.4Confident0 Ų064.1 Ų64.10%033%0.329CS..EExtended strand (participates in β ladder)trans-121.3133.4174.7-58.40000109.7I50 L53 V54 V64 V65 A66 E67 I230 I239I50-V232 HydrophobicContact CD1-CG2 4.01Å; L53-V232 HydrophobicContact CB-CB 4.14Å; L53-V232 HydrophobicContact CB-CG1 4.32Å; L53-V232 HydrophobicContact CB-CG2 4.46Å; V54-V232 HydrophobicContact CG2-CG2 3.71Å; V64-V232 HydrophobicContact CG1-CG2 3.92Å; V65-V232 PolarHBondContact O-N 2.97Å; A66-V232 HydrophobicContact CB-CG2 3.82Å; E67-V232 PolarHBondContact N-O 3.27Å; I230-V232 HydrophobicContact CG2-CG1 4.02Å; V232-I239 HydrophobicContact CG1-CG1 4.14Å; V232-I239 HydrophobicContact CG1-CG2 4.33Å
233S82.6Confident71.5Confident8 Ų869.4 Ų69.46%0.05636%0.357CS..EExtended strand (participates in β ladder)trans-135.1131.7176.2-177.10000109.4E67 N235 N236 N237E67-S233 PolarHBondContact OE2-OG 2.95Å; S233-N235 PolarHBondContact O-N 3.39Å; S233-N236 PolarHBondContact O-N 2.87Å; S233-N237 PolarHBondContact O-N 3.5Å
234V71.6Confident69.7Low34 Ų3467.9 Ų67.921%0.20636%0.362CS..THydrogen-bonded Turntrans-61.8-31.1-178.1-179.40000111.5A49 I50 A68 N237A49-V234 HydrophobicContact CB-CG1 4.16Å; I50-V234 HydrophobicContact CB-CG2 3.73Å; I50-V234 HydrophobicContact CD1-CG2 3.88Å; I50-V234 HydrophobicContact CG1-CG2 4.24Å; A68-V234 HydrophobicContact CB-CG2 3.79Å; V234-N237 PolarHBondContact O-OD1 3.17Å
235N62.7Low67.9Low77 Ų7768.6 Ų68.641%0.41237%0.366SS..THydrogen-bonded Turntrans-79.3-31.7-173.3-63.1-15.5000112.8S233 N237 H254S233-N235 PolarHBondContact O-N 3.39Å; N235-N237 VanDerWaalsContact C-N 3.35Å; N235-H254 VanDerWaalsContact ND2-CB 3.35Å; N235-H254 WeakPolarHBondContact ND2-CB 3.5Å; N235-H254 PolarHBondContact ND2-CD2 3.04Å; N235-H254 PolarHBondContact ND2-ND1 3.2Å; N235-H254 PolarHBondContact ND2-NE2 3.44Å
236N59.2Low66.1Low86 Ų8669.9 Ų69.946%0.4638%0.381SS..THydrogen-bonded Turntrans-85.5-10178.8-73.3-8000112.6S233 N238S233-N236 PolarHBondContact O-N 2.87Å; N236-N238 HydrophobicContact CB-CB 4.44Å; N236-N238 WeakPolarHBondContact O-CB 3.28Å; N236-N238 PolarHBondContact O-N 2.8Å; N236-N238 PolarHBondContact O-OD1 3.28Å
237N54.7Low64Low118 Ų11870.8 Ų70.863%0.63139%0.388SS*.  trans46.413.3-171.6-81.5-21.7000114.9S233 V234 N235S233-N237 PolarHBondContact O-N 3.5Å; V234-N237 PolarHBondContact O-OD1 3.17Å; N235-N237 VanDerWaalsContact C-N 3.35Å
238N54.3Low61.8Low101 Ų10170.8 Ų70.854%0.5440%0.403SS..  trans-117.8137.5-170.9-74.2-13.8000109.4N236N236-N238 HydrophobicContact CB-CB 4.44Å; N236-N238 WeakPolarHBondContact O-CB 3.28Å; N236-N238 PolarHBondContact O-N 2.8Å; N236-N238 PolarHBondContact O-OD1 3.28Å
239I56.5Low59.9Low78 Ų7868.3 Ų68.340%0.439%0.39SS..EExtended strand (participates in β ladder)trans-91.2109171.3-61.3174.8000105.9I20 L53 I230 V232I20-I239 HydrophobicContact CD1-CD1 4.12Å; L53-I239 HydrophobicContact CD2-CD1 4.32Å; L53-I239 HydrophobicContact CD2-CG1 4.04Å; I230-I239 HydrophobicContact CG2-CG2 3.38Å; V232-I239 HydrophobicContact CG1-CG1 4.14Å; V232-I239 HydrophobicContact CG1-CG2 4.33Å
240N61.1Low57.9Low84 Ų8470 Ų7045%0.44940%0.402SS..EExtended strand (participates in β ladder)trans-104.7128.3177.8-68.9-14.9000109.1T231 T242T231-N240 PolarHBondContact N-O 3.38Å; T231-N240 PolarHBondContact O-N 2.9Å; N240-T242 PolarHBondContact O-N 2.66Å
241S52.5Low55.9Low81 Ų8174.2 Ų74.257%0.56642%0.42SS*.EExtended strand (participates in β ladder)trans-72.7123.4166-1700000108.4N243S241-N243 VanDerWaalsContact C-N 3.34Å; S241-N243 PolarHBondContact O-N 3.38Å
242T51Low54.4Low22 Ų2278.1 Ų78.114%0.13544%0.436CS..  trans-76.389.7178.1-340000108.1P229 T231 N240 T247P229-T242 WeakPolarHBondContact O-CB 3.29Å; P229-T242 PolarHBondContact O-N 3.01Å; P229-T242 PolarHBondContact O-OG1 2.87Å; T231-T242 PolarHBondContact OG1-OG1 2.91Å; N240-T242 PolarHBondContact O-N 2.66Å; T242-T247 HydrophobicContact CG2-CG2 3.62Å
243N41.1Very low53.1Low124 Ų12478.8 Ų78.866%0.66344%0.44SS*.  trans-64.2143162.9-73-19.2000107.6S241 N245S241-N243 VanDerWaalsContact C-N 3.34Å; S241-N243 PolarHBondContact O-N 3.38Å; N243-N245 CarbonylContact O-C 3.57Å; N243-N245 PolarHBondContact O-N 2.85Å
244N44.4Very low52.2Low134 Ų13481.5 Ų81.572%0.71745%0.452SS*.SBendtrans-50-6.2-176.1-71.1-35.4000116.3G246N244-G246 PolarHBondContact O-N 2.8Å
245N39.9Very low51.9Low150 Ų15081.8 Ų81.880%0.80245%0.453SS*.SBendtrans-87.778173.1-63.7-9.7000109.8N243N243-N245 CarbonylContact O-C 3.57Å; N243-N245 PolarHBondContact O-N 2.85Å
246G44.1Very low52Low39 Ų3979.6 Ų79.640%0.40244%0.444SS..  trans42.9109.2159.900000116.1N244 T248N244-G246 PolarHBondContact O-N 2.8Å; G246-T248 PolarHBondContact O-N 3.24Å
247T43.3Very low52.5Low36 Ų3680.6 Ų80.622%0.22146%0.457CS..  trans-38.8122.2160.844.10000109.1T242 L249T242-T247 HydrophobicContact CG2-CG2 3.62Å; T247-L249 PolarHBondContact O-N 3.21Å
248T39.5Very low53.4Low140 Ų14078.5 Ų78.586%0.85944%0.444SS*.  trans-61.590.8168-14.70000104.5G246 S250G246-T248 PolarHBondContact O-N 3.24Å; T248-S250 PolarHBondContact O-N 3.39Å
249L45.3Very low54.8Low70 Ų7074.2 Ų74.237%0.36642%0.421SS..  trans-61.292.1177-96.5106000105.5L214 K216 T247 K251L214-L249 WeakPolarHBondContact O-CD2 3.39Å; K216-L249 HydrophobicContact CG-CD1 4.44Å; K216-L249 HydrophobicContact CG-CD2 4.33Å; T247-L249 PolarHBondContact O-N 3.21Å; L249-K251 VanDerWaalsContact C-N 3.27Å; L249-K251 PolarHBondContact O-N 2.88Å
250S46.4Very low56.4Low47 Ų4773.4 Ų73.433%0.32942%0.417SS..  trans-60.1103.3159.742.30000104.8T248 E252T248-S250 PolarHBondContact O-N 3.39Å; S250-E252 PolarHBondContact O-N 3.41Å
251K49.5Very low57.9Low111 Ų11170.2 Ų70.248%0.48340%0.399SS..  trans-64.16.2173.2-115.4-167.4-178.2-160.70112.2L249 L253 H405 E471L249-K251 VanDerWaalsContact C-N 3.27Å; L249-K251 PolarHBondContact O-N 2.88Å; K251-L253 PolarHBondContact O-N 3.43Å; K251-H405 PolarHBondContact O-CD2 3.03Å; K251-E471 IonicContact NZ-OE1 3.94Å; K251-E471 PolarHBondContact NZ-OE1 3.32Å
252E55.6Low60Low100 Ų10068.7 Ų68.747%0.46738%0.382SS..  trans-74.6116.2-177-64.6-171.4174.100109.4S250 H254S250-E252 PolarHBondContact O-N 3.41Å; E252-H254 WeakPolarHBondContact CB-NE2 3.4Å; E252-H254 PolarHBondContact O-CD2 3.48Å; E252-H254 IonicContact OE2-CE1 3.74Å; E252-H254 PolarHBondContact OE2-CE1 2.96Å; E252-H254 IonicContact OE2-NE2 3.27Å
253L59.1Low62.2Low14 Ų1469.9 Ų69.97%0.07338%0.384CS..  trans-92.3104.2177.3-71.7173000107.2T213 K251 T368 I372 H405 V407T213-L253 HydrophobicContact CG2-CD2 3.73Å; K251-L253 PolarHBondContact O-N 3.43Å; L253-T368 HydrophobicContact CD1-CG2 3.34Å; L253-I372 HydrophobicContact CB-CD1 3.27Å; L253-I372 HydrophobicContact CB-CG1 3.97Å; L253-I372 HydrophobicContact CD1-CD1 3.75Å; L253-I372 HydrophobicContact CD2-CD1 3.12Å; L253-I372 HydrophobicContact CG-CD1 3.45Å; L253-I372 VanDerWaalsContact CG-CD1 3.45Å; L253-H405 HydrophobicContact CB-CB 3.82Å; L253-H405 HydrophobicContact CD1-CB 3.41Å; L253-H405 VanDerWaalsContact CD1-CB 3.41Å; L253-H405 WeakPolarHBondContact CD1-CD2 3.46Å; L253-H405 VanDerWaalsContact CD1-CG 3.43Å; L253-H405 HydrophobicContact CG-CB 3.75Å; L253-H405 PolarHBondContact N-O 2.91Å; L253-H405 VanDerWaalsContact N-O 3.14Å; L253-V407 HydrophobicContact CB-CG2 4.24Å
254H64.7Low64.9Low65 Ų6564 Ų6430%0.30135%0.353SS..  trans-90.1136.5-170.4-60.4-84.1000112.9N235 E252N235-H254 VanDerWaalsContact ND2-CB 3.35Å; N235-H254 WeakPolarHBondContact ND2-CB 3.5Å; N235-H254 PolarHBondContact ND2-CD2 3.04Å; N235-H254 PolarHBondContact ND2-ND1 3.2Å; N235-H254 PolarHBondContact ND2-NE2 3.44Å; E252-H254 WeakPolarHBondContact CB-NE2 3.4Å; E252-H254 PolarHBondContact O-CD2 3.48Å; E252-H254 IonicContact OE2-CE1 3.74Å; E252-H254 PolarHBondContact OE2-CE1 2.96Å; E252-H254 IonicContact OE2-NE2 3.27Å
255T64.8Low67.4Low40 Ų4060.4 Ų60.425%0.24533%0.333CS..  trans-113147.2176.759.50000110.5Q261 I375 V407T255-Q261 PolarHBondContact OG1-NE2 3.06Å; T255-I375 HydrophobicContact CG2-CD1 3.45Å; T255-I375 VanDerWaalsContact CG2-CD1 3.45Å; T255-V407 HydrophobicContact CG2-CG2 4.2Å
256P65.5Low70.1Confident32 Ų3253.4 Ų53.421%0.20830%0.295CS..  trans-53.2140.9175.1-2432.7000112.4E258 L259P256-E258 VanDerWaalsContact C-N 3.28Å; P256-E258 PolarHBondContact O-N 3.49Å; P256-L259 HydrophobicContact CB-CB 4.22Å; P256-L259 VanDerWaalsContact O-CB 3.29Å; P256-L259 WeakPolarHBondContact O-CB 3.4Å; P256-L259 PolarHBondContact O-N 3.03Å
257S68.4Low72.6Confident107 Ų10753.5 Ų53.575%0.74829%0.289SS*.THydrogen-bonded Turntrans-60.9-33.9-17730.90000113.5L259S257-L259 VanDerWaalsContact C-N 3.25Å; S257-L259 PolarHBondContact O-N 2.81Å
258E74.8Confident75.2Confident74 Ų7452 Ų5235%0.34628%0.28SS..THydrogen-bonded Turntrans-83.90.9-177.5-54.772.3-148.600113.1P256 G385P256-E258 VanDerWaalsContact C-N 3.28Å; P256-E258 PolarHBondContact O-N 3.49Å; E258-G385 PolarHBondContact O-N 3.31Å
259L83.2Confident77.8Confident11 Ų1147.2 Ų47.26%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-89.1113.2-175.2-179.459000111.7P256 S257 Q261 I375 T378P256-L259 HydrophobicContact CB-CB 4.22Å; P256-L259 VanDerWaalsContact O-CB 3.29Å; P256-L259 WeakPolarHBondContact O-CB 3.4Å; P256-L259 PolarHBondContact O-N 3.03Å; S257-L259 VanDerWaalsContact C-N 3.25Å; S257-L259 PolarHBondContact O-N 2.81Å; L259-Q261 HydrophobicContact CD2-CG 4.25Å; L259-Q261 HydrophobicContact CG-CG 3.94Å; L259-I375 HydrophobicContact CD2-CB 3.85Å; L259-I375 HydrophobicContact CD2-CD1 3.67Å; L259-I375 HydrophobicContact CD2-CG1 3.79Å; L259-T378 HydrophobicContact CD1-CG2 3.46Å; L259-T378 VanDerWaalsContact CD1-CG2 3.46Å
260L89.6Confident80.2Confident60 Ų6045.7 Ų45.731%0.31424%0.238SC..EExtended strand (participates in β ladder)trans-84.4125.3172.7-57.7174.9000110.2Y262 I384 G385 R386 S387L260-Y262 HydrophobicContact CB-CE2 3.69Å; L260-I384 HydrophobicContact CD1-CG2 4.2Å; L260-I384 HydrophobicContact CG-CG2 4.46Å; L260-G385 PolarHBondContact N-O 2.93Å; L260-R386 HydrophobicContact CB-CG 4.22Å; L260-R386 HydrophobicContact CD1-CG 4.35Å; L260-R386 CarbonylContact O-C 3.54Å; L260-R386 WeakPolarHBondContact O-CA 3.37Å; L260-S387 PolarHBondContact O-N 3.45Å
261Q93.3Very high82.7Confident17 Ų1743.5 Ų43.58%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-117125.5-173.2-57.6178.463.600110.6T255 L259 Y371 I375 V407 L409 K410T255-Q261 PolarHBondContact OG1-NE2 3.06Å; L259-Q261 HydrophobicContact CD2-CG 4.25Å; L259-Q261 HydrophobicContact CG-CG 3.94Å; Q261-Y371 PolarHBondContact OE1-OH 3.14Å; Q261-I375 HydrophobicContact CG-CD1 4.42Å; Q261-I375 VanDerWaalsContact OE1-CD1 3.25Å; Q261-V407 VanDerWaalsContact OE1-CG1 3.27Å; Q261-L409 HydrophobicContact CB-CG 4.29Å; Q261-K410 PolarHBondContact O-N 3.45Å
262Y96.6Very high84.9Confident50 Ų5038.9 Ų38.920%0.19620%0.204CC..EExtended strand (participates in β ladder)trans-125.6157.1-176.8-58-80.7000111.4L260 W358 S387 I388 L389 K410 V412L260-Y262 HydrophobicContact CB-CE2 3.69Å; Y262-W358 HydrophobicContact CD2-CH2 4.24Å; Y262-W358 HydrophobicContact CD2-CZ3 4.15Å; Y262-W358 HydrophobicContact CE2-CH2 4.27Å; Y262-S387 WeakPolarHBondContact CB-O 3.42Å; Y262-S387 WeakPolarHBondContact CD2-O 3.16Å; Y262-S387 PolarHBondContact N-O 3.23Å; Y262-I388 CarbonylContact O-C 3.59Å; Y262-I388 VanDerWaalsContact O-CA 3.28Å; Y262-I388 WeakPolarHBondContact O-CA 3.49Å; Y262-L389 PolarHBondContact O-N 3.36Å; Y262-K410 CarbonylContact C-O 3.51Å; Y262-K410 WeakPolarHBondContact CA-O 3.46Å; Y262-K410 HydrophobicContact CD1-CB 3.79Å; Y262-K410 HydrophobicContact CE1-CB 4.09Å; Y262-K410 HydrophobicContact CE1-CD 4.44Å; Y262-V412 HydrophobicContact CD1-CG2 3.41Å; Y262-V412 VanDerWaalsContact CD1-CG2 3.41Å; Y262-V412 HydrophobicContact CE1-CG2 4.23Å; Y262-V412 HydrophobicContact CG-CG2 3.81Å
263Y97.4Very high86.9Confident46 Ų4634.3 Ų34.318%0.1818%0.182CC..EExtended strand (participates in β ladder)trans-133.1154.316576.3-86.7000110.8I265 L389 L391 I399 L409 K410 P411 V412Y263-I265 HydrophobicContact CD2-CD1 3.82Å; Y263-I265 HydrophobicContact CD2-CG1 4.42Å; Y263-I265 HydrophobicContact CE2-CD1 3.79Å; Y263-I265 HydrophobicContact CE2-CG1 4.12Å; Y263-L389 CarbonylContact C-O 3.53Å; Y263-L389 VanDerWaalsContact CA-O 3.23Å; Y263-L389 WeakPolarHBondContact CA-O 3.27Å; Y263-L391 HydrophobicContact CD2-CD1 4.07Å; Y263-L391 HydrophobicContact CG-CD1 4.47Å; Y263-I399 HydrophobicContact CD1-CD1 4.23Å; Y263-I399 HydrophobicContact CD1-CG1 4.47Å; Y263-I399 HydrophobicContact CD2-CD1 3.68Å; Y263-I399 HydrophobicContact CD2-CG1 4.4Å; Y263-I399 HydrophobicContact CE1-CD1 3.91Å; Y263-I399 HydrophobicContact CE1-CG1 4.48Å; Y263-I399 HydrophobicContact CE2-CD1 3.35Å; Y263-I399 HydrophobicContact CE2-CG1 4.45Å; Y263-I399 HydrophobicContact CG-CD1 4.1Å; Y263-I399 HydrophobicContact CG-CG1 4.4Å; Y263-I399 VanDerWaalsContact CZ-CD1 3.45Å; Y263-L409 HydrophobicContact CD1-CB 3.69Å; Y263-L409 HydrophobicContact CG-CB 4.47Å; Y263-K410 PolarHBondContact N-O 3.47Å; Y263-P411 HydrophobicContact CE1-CB 3.78Å; Y263-P411 HydrophobicContact CE1-CG 4.4Å; Y263-P411 HydrophobicContact CE2-CB 4.27Å; Y263-P411 CarbonylContact O-C 3.35Å; Y263-V412 PolarHBondContact O-N 3.21Å
264A97.4Very high88.8Confident1 Ų133.7 Ų33.71%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-134.7135.2172.700000110.1V266 I388 L389 F390 L391 V412 F414A264-V266 HydrophobicContact CB-CG2 4.03Å; A264-I388 HydrophobicContact CB-CD1 4.23Å; A264-L389 PolarHBondContact N-O 2.85Å; A264-F390 HydrophobicContact CB-CD1 4.16Å; A264-F390 HydrophobicContact CB-CE1 4.39Å; A264-L391 PolarHBondContact O-N 3.01Å; A264-V412 WeakPolarHBondContact CA-O 3.4Å; A264-V412 WeakPolarHBondContact CB-O 3.24Å; A264-F414 HydrophobicContact CB-CD2 3.85Å; A264-F414 HydrophobicContact CB-CE2 3.58Å
265I97.2Very high90.3Very high59 Ų5930.6 Ų30.630%0.30317%0.165SC..EExtended strand (participates in β ladder)trans-84.8116.8172.1-51.6-50000107.9Y263 L391 P393 Q396Y263-I265 HydrophobicContact CD2-CD1 3.82Å; Y263-I265 HydrophobicContact CD2-CG1 4.42Å; Y263-I265 HydrophobicContact CE2-CD1 3.79Å; Y263-I265 HydrophobicContact CE2-CG1 4.12Å; I265-L391 CarbonylContact C-O 3.58Å; I265-L391 VanDerWaalsContact CA-O 3.32Å; I265-L391 WeakPolarHBondContact CA-O 3.3Å; I265-L391 HydrophobicContact CD1-CB 3.76Å; I265-L391 HydrophobicContact CD1-CD1 4.06Å; I265-L391 HydrophobicContact CD1-CG 4.46Å; I265-P393 HydrophobicContact CG2-CB 4.27Å; I265-P393 HydrophobicContact CG2-CG 3.94Å; I265-Q396 HydrophobicContact CD1-CG 3.56Å; I265-Q396 HydrophobicContact CG1-CG 4.25Å
266V96.8Very high91.9Very high3 Ų328.8 Ų28.82%0.01815%0.153CC..  trans-133.4119.2-173.6-173.30000108.8A264 Q270 K271 T274 F390 L391 L392A264-V266 HydrophobicContact CB-CG2 4.03Å; V266-Q270 HydrophobicContact CG1-CB 4.15Å; V266-K271 HydrophobicContact CB-CG 4.27Å; V266-K271 HydrophobicContact CG1-CB 4.41Å; V266-K271 HydrophobicContact CG1-CG 3.9Å; V266-T274 HydrophobicContact CG1-CG2 4.23Å; V266-T274 VanDerWaalsContact CG1-OG1 3.3Å; V266-T274 WeakPolarHBondContact CG1-OG1 3.38Å; V266-T274 HydrophobicContact CG2-CG2 4.03Å; V266-F390 HydrophobicContact CG2-CD1 4.28Å; V266-F390 HydrophobicContact CG2-CG 4.26Å; V266-L391 PolarHBondContact N-O 2.99Å; V266-L392 WeakPolarHBondContact O-CD2 3.41Å
267P96.3Very high93.4Very high40 Ų4028 Ų2826%0.2615%0.148SC..  trans-58.5146.3174.3-19.930.8000111.2E269 Q270 K271P267-E269 VanDerWaalsContact C-N 3.3Å; P267-E269 PolarHBondContact O-N 2.85Å; P267-Q270 HydrophobicContact CB-CG 4.06Å; P267-Q270 HydrophobicContact CG-CG 4.25Å; P267-Q270 WeakPolarHBondContact O-CA 3.42Å; P267-Q270 PolarHBondContact O-N 2.85Å; P267-K271 PolarHBondContact O-N 3.13Å
268L96.9Very high94.7Very high6 Ų623.2 Ų23.23%0.03111%0.114CC..G310 helixtrans-56.1-44.5-169.5177.355.8000112.5Q270 K271 L392 Y448 L481 P482 F486L268-Q270 PolarHBondContact O-N 2.89Å; L268-K271 HydrophobicContact CD1-CD 3.87Å; L268-K271 PolarHBondContact O-N 3.23Å; L268-L392 HydrophobicContact CB-CD1 4.48Å; L268-L392 HydrophobicContact CB-CD2 3.64Å; L268-L392 HydrophobicContact CD1-CD2 4.21Å; L268-L392 HydrophobicContact CG-CD2 4.48Å; L268-Y448 HydrophobicContact CD1-CE1 3.64Å; L268-Y448 HydrophobicContact CD2-CE1 3.75Å; L268-Y448 HydrophobicContact CG-CE1 4.37Å; L268-L481 HydrophobicContact CD2-CD2 4.13Å; L268-P482 HydrophobicContact CB-CG 3.99Å; L268-F486 HydrophobicContact CD1-CD2 3.78Å; L268-F486 HydrophobicContact CD1-CE2 3.87Å; L268-F486 HydrophobicContact CD1-CG 4.25Å; L268-F486 HydrophobicContact CD1-CZ 4.41Å; L268-F486 HydrophobicContact CD2-CB 3.66Å; L268-F486 HydrophobicContact CD2-CD1 3.94Å; L268-F486 HydrophobicContact CD2-CD2 3.98Å; L268-F486 HydrophobicContact CD2-CG 3.58Å; L268-F486 HydrophobicContact CG-CB 3.85Å; L268-F486 HydrophobicContact CG-CD1 4.41Å; L268-F486 HydrophobicContact CG-CD2 3.53Å; L268-F486 HydrophobicContact CG-CE2 4.16Å; L268-F486 HydrophobicContact CG-CG 3.67Å
269E95.4Very high95.8Very high39 Ų3919.7 Ų19.718%0.18210%0.097CC..G310 helixtrans-66.9-13.4178.870.5-86.6-153.300114P267 K485 S489P267-E269 VanDerWaalsContact C-N 3.3Å; P267-E269 PolarHBondContact O-N 2.85Å; E269-K485 HydrophobicContact CB-CB 3.75Å; E269-K485 WeakPolarHBondContact CB-O 3.28Å; E269-K485 HydrophobicContact CG-CB 3.98Å; E269-K485 HydrophobicContact CG-CD 4.43Å; E269-K485 WeakPolarHBondContact OE1-CD 3.5Å; E269-S489 WeakPolarHBondContact O-CB 3.28Å
270Q96Very high96.4Very high37 Ų3720.1 Ų20.117%0.17310%0.099CC..G310 helixtrans-103.2-14.3179.8-49.1-167.7-2.400112.7V266 P267 L268 L272 D273 T274V266-Q270 HydrophobicContact CG1-CB 4.15Å; P267-Q270 HydrophobicContact CB-CG 4.06Å; P267-Q270 HydrophobicContact CG-CG 4.25Å; P267-Q270 WeakPolarHBondContact O-CA 3.42Å; P267-Q270 PolarHBondContact O-N 2.85Å; L268-Q270 PolarHBondContact O-N 2.89Å; Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 3.26Å; Q270-L272 VanDerWaalsContact O-N 3.16Å; Q270-D273 PolarHBondContact O-N 3.41Å; Q270-T274 PolarHBondContact O-N 3.46Å; Q270-T274 PolarHBondContact O-OG1 2.82Å; Q270-T274 VanDerWaalsContact O-OG1 3.06Å
271K97.3Very high96.6Very high2 Ų221.2 Ų21.21%0.00911%0.112CC..Hα-helixtrans-53-43.8-171-70.3-178.171.5171.90113.6V266 P267 L268 T274 L275 F362 D363 L392V266-K271 HydrophobicContact CB-CG 4.27Å; V266-K271 HydrophobicContact CG1-CB 4.41Å; V266-K271 HydrophobicContact CG1-CG 3.9Å; P267-K271 PolarHBondContact O-N 3.13Å; L268-K271 HydrophobicContact CD1-CD 3.87Å; L268-K271 PolarHBondContact O-N 3.23Å; K271-T274 PolarHBondContact O-N 2.87Å; K271-L275 WeakPolarHBondContact O-CB 3.49Å; K271-L275 PolarHBondContact O-N 3.35Å; K271-F362 HydrophobicContact CB-CE1 4.36Å; K271-F362 HydrophobicContact CB-CE2 3.6Å; K271-F362 HydrophobicContact CB-CZ 3.48Å; K271-F362 VanDerWaalsContact CB-CZ 3.48Å; K271-F362 HydrophobicContact CD-CZ 4.39Å; K271-F362 WeakPolarHBondContact CE-O 3.11Å; K271-F362 PolarHBondContact NZ-O 2.98Å; K271-F362 WeakPolarHBondContact O-CE2 3.28Å; K271-D363 IonicContact NZ-OD1 2.77Å; K271-D363 PolarHBondContact NZ-OD1 3.19Å; K271-L392 HydrophobicContact CD-CD2 3.85Å
272L97.4Very high96.7Very high14 Ų1422.8 Ų22.87%0.07312%0.119CC..Hα-helixtrans-70-38.6179.7-76.8-179.6000113.1Q270 T274 L275 W276 F291 Y299 A300 F362 V423 L490Q270-L272 VanDerWaalsContact C-N 3.31Å; Q270-L272 PolarHBondContact O-N 3.26Å; Q270-L272 VanDerWaalsContact O-N 3.16Å; L272-T274 VanDerWaalsContact C-N 3.33Å; L272-L275 HydrophobicContact CD2-CD2 4.46Å; L272-L275 PolarHBondContact O-N 2.9Å; L272-W276 WeakPolarHBondContact O-CB 3.18Å; L272-W276 PolarHBondContact O-N 2.86Å; L272-F291 HydrophobicContact CD2-CE1 4.49Å; L272-Y299 HydrophobicContact CD1-CD1 4.46Å; L272-Y299 HydrophobicContact CD1-CE1 3.84Å; L272-A300 HydrophobicContact CD2-CB 4.48Å; L272-F362 HydrophobicContact CD2-CE2 3.84Å; L272-F362 HydrophobicContact CD2-CZ 3.75Å; L272-F362 HydrophobicContact CG-CE2 4.35Å; L272-F362 HydrophobicContact CG-CZ 4.03Å; L272-V423 HydrophobicContact CB-CG1 4.07Å; L272-V423 HydrophobicContact CD1-CG1 4.38Å; L272-L490 HydrophobicContact CD1-CD2 3.58Å
273D97.2Very high96.6Very high3 Ų321.9 Ų21.92%0.01612%0.12CC..Hα-helixtrans-64.6-40.4173.5-75.7-39.1000110.9Q270 W276 T277 L419 R421 V423 S424Q270-D273 PolarHBondContact O-N 3.41Å; D273-W276 PolarHBondContact O-N 2.82Å; D273-T277 WeakPolarHBondContact O-CB 3.43Å; D273-T277 PolarHBondContact O-N 2.98Å; D273-T277 PolarHBondContact O-OG1 3.28Å; D273-L419 HydrophobicContact CB-CD1 4.11Å; D273-L419 HydrophobicContact CB-CG 4.3Å; D273-R421 WeakPolarHBondContact OD1-CA 3.17Å; D273-R421 WeakPolarHBondContact OD2-CD 3.46Å; D273-R421 IonicContact OD2-NH1 3.65Å; D273-R421 PolarHBondContact OD2-NH1 3.23Å; D273-V423 WeakPolarHBondContact OD1-CA 3.46Å; D273-V423 VanDerWaalsContact OD1-CB 3.28Å; D273-V423 WeakPolarHBondContact OD1-CB 3.42Å; D273-V423 PolarHBondContact OD1-N 2.86Å; D273-V423 VanDerWaalsContact OD1-N 3.08Å; D273-S424 PolarHBondContact OD1-N 3.02Å; D273-S424 PolarHBondContact OD1-OG 3.41Å; D273-S424 VanDerWaalsContact OD2-CB 3.24Å; D273-S424 WeakPolarHBondContact OD2-CB 3.26Å; D273-S424 PolarHBondContact OD2-OG 2.61Å
274T97.6Very high96.5Very high2 Ų227.6 Ų27.61%0.01215%0.145CC..Hα-helixtrans-65.4-44.3176.8-53.50000110.9V266 Q270 K271 L272 T277 F278 F390 F414 L419V266-T274 HydrophobicContact CG1-CG2 4.23Å; V266-T274 VanDerWaalsContact CG1-OG1 3.3Å; V266-T274 WeakPolarHBondContact CG1-OG1 3.38Å; V266-T274 HydrophobicContact CG2-CG2 4.03Å; Q270-T274 PolarHBondContact O-N 3.46Å; Q270-T274 PolarHBondContact O-OG1 2.82Å; Q270-T274 VanDerWaalsContact O-OG1 3.06Å; K271-T274 PolarHBondContact O-N 2.87Å; L272-T274 VanDerWaalsContact C-N 3.33Å; T274-T277 PolarHBondContact O-N 3.12Å; T274-F278 VanDerWaalsContact O-CB 3.3Å; T274-F278 WeakPolarHBondContact O-CB 3.27Å; T274-F278 PolarHBondContact O-N 3.27Å; T274-F390 HydrophobicContact CG2-CE1 4.48Å; T274-F390 HydrophobicContact CG2-CE2 4.19Å; T274-F390 HydrophobicContact CG2-CZ 3.91Å; T274-F414 HydrophobicContact CG2-CB 4.22Å; T274-F414 HydrophobicContact CG2-CD1 3.86Å; T274-F414 HydrophobicContact CG2-CD2 3.57Å; T274-F414 HydrophobicContact CG2-CE1 4.07Å; T274-F414 HydrophobicContact CG2-CE2 3.8Å; T274-F414 HydrophobicContact CG2-CG 3.6Å; T274-F414 HydrophobicContact CG2-CZ 4.04Å; T274-L419 VanDerWaalsContact CA-CD1 3.49Å
275L98.1Very high96.4Very high0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-59.2-49.1173.5178.564.4000110.7K271 L272 T277 F278 L279 V289 F291 F304 V360 F362 F390K271-L275 WeakPolarHBondContact O-CB 3.49Å; K271-L275 PolarHBondContact O-N 3.35Å; L272-L275 HydrophobicContact CD2-CD2 4.46Å; L272-L275 PolarHBondContact O-N 2.9Å; L275-T277 PolarHBondContact O-N 3.34Å; L275-F278 WeakPolarHBondContact O-CB 3.36Å; L275-F278 PolarHBondContact O-N 2.98Å; L275-L279 HydrophobicContact CD1-CD1 3.95Å; L275-L279 HydrophobicContact CD1-CD2 4.27Å; L275-L279 HydrophobicContact CD1-CG 3.92Å; L275-L279 HydrophobicContact CD2-CD1 4.43Å; L275-L279 HydrophobicContact CG-CD1 3.86Å; L275-L279 HydrophobicContact CG-CG 4.2Å; L275-L279 VanDerWaalsContact O-CG 3.25Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 2.73Å; L275-V289 HydrophobicContact CD1-CG1 3.87Å; L275-V289 HydrophobicContact CD1-CG2 4.17Å; L275-V289 HydrophobicContact CD2-CG1 4.01Å; L275-F291 HydrophobicContact CD2-CE1 4.48Å; L275-F291 HydrophobicContact CD2-CZ 3.77Å; L275-F304 HydrophobicContact CD2-CE2 4.05Å; L275-F304 HydrophobicContact CD2-CZ 4.12Å; L275-F304 HydrophobicContact CG-CE2 4.37Å; L275-F304 HydrophobicContact CG-CZ 4.41Å; L275-V360 HydrophobicContact CD1-CG1 3.89Å; L275-F362 HydrophobicContact CB-CD2 4.06Å; L275-F362 HydrophobicContact CB-CE2 4.05Å; L275-F362 HydrophobicContact CD2-CD2 3.74Å; L275-F362 HydrophobicContact CD2-CE2 4.03Å; L275-F362 HydrophobicContact CG-CD2 4.33Å; L275-F390 HydrophobicContact CB-CE2 4.15Å
276W97.3Very high96.4Very high1 Ų129 Ų290%0.00415%0.149CC..Hα-helixtrans-56.3-50178.5176.3-92.6000111.5L272 D273 F278 L279 Q280 F304 L307 P309 Q420 V423L272-W276 WeakPolarHBondContact O-CB 3.18Å; L272-W276 PolarHBondContact O-N 2.86Å; D273-W276 PolarHBondContact O-N 2.82Å; W276-F278 VanDerWaalsContact C-N 3.32Å; W276-F278 PolarHBondContact O-N 3.31Å; W276-L279 PolarHBondContact O-N 2.98Å; W276-Q280 HydrophobicContact CD2-CG 4.27Å; W276-Q280 HydrophobicContact CG-CG 4.42Å; W276-Q280 VanDerWaalsContact CH2-NE2 3.34Å; W276-Q280 HydrophobicContact CZ2-CG 4.25Å; W276-Q280 WeakPolarHBondContact O-CB 3.19Å; W276-Q280 VanDerWaalsContact O-CG 3.23Å; W276-Q280 WeakPolarHBondContact O-CG 3.22Å; W276-Q280 PolarHBondContact O-N 2.89Å; W276-F304 HydrophobicContact CB-CZ 4.33Å; W276-F304 AromaticContact CE3-CD1 3.7Å; W276-F304 HydrophobicContact CE3-CD1 3.7Å; W276-F304 HydrophobicContact CE3-CD2 4.28Å; W276-F304 AromaticContact CE3-CE1 3.73Å; W276-F304 HydrophobicContact CE3-CE1 3.73Å; W276-F304 HydrophobicContact CE3-CE2 4.32Å; W276-F304 AromaticContact CE3-CG 3.98Å; W276-F304 HydrophobicContact CE3-CG 3.98Å; W276-F304 HydrophobicContact CE3-CZ 4.05Å; W276-F304 HydrophobicContact CZ3-CB 4.2Å; W276-F304 AromaticContact CZ3-CD1 3.93Å; W276-F304 HydrophobicContact CZ3-CD1 3.93Å; W276-F304 HydrophobicContact CZ3-CD2 4.49Å; W276-F304 HydrophobicContact CZ3-CE1 4.43Å; W276-F304 AromaticContact CZ3-CG 3.96Å; W276-F304 HydrophobicContact CZ3-CG 3.96Å; W276-L307 HydrophobicContact CD2-CD1 4.45Å; W276-L307 HydrophobicContact CE3-CD1 3.99Å; W276-L307 HydrophobicContact CH2-CB 3.31Å; W276-L307 HydrophobicContact CH2-CD1 4.11Å; W276-L307 HydrophobicContact CH2-CG 4.35Å; W276-L307 HydrophobicContact CZ2-CB 4.05Å; W276-L307 HydrophobicContact CZ3-CB 3.64Å; W276-L307 HydrophobicContact CZ3-CD1 3.82Å; W276-L307 HydrophobicContact CZ3-CG 4.4Å; W276-P309 HydrophobicContact CH2-CB 4.04Å; W276-P309 HydrophobicContact CZ3-CB 4.14Å; W276-Q420 VanDerWaalsContact NE1-OE1 3.16Å; W276-V423 HydrophobicContact CB-CG2 3.53Å; W276-V423 HydrophobicContact CD2-CG2 4.09Å; W276-V423 HydrophobicContact CE3-CG2 4.34Å; W276-V423 HydrophobicContact CG-CG2 3.75Å
277T96.5Very high96.4Very high16 Ų1628.8 Ų28.810%0.09815%0.148CC..Hα-helixtrans-58.3-44.5177.1-56.80000111.9D273 T274 L275 Q280 S281 K418 Q420D273-T277 WeakPolarHBondContact O-CB 3.43Å; D273-T277 PolarHBondContact O-N 2.98Å; D273-T277 PolarHBondContact O-OG1 3.28Å; T274-T277 PolarHBondContact O-N 3.12Å; L275-T277 PolarHBondContact O-N 3.34Å; T277-Q280 PolarHBondContact O-N 3.41Å; T277-S281 PolarHBondContact O-N 3.41Å; T277-S281 PolarHBondContact O-OG 2.99Å; T277-K418 VanDerWaalsContact CG2-O 3.25Å; T277-K418 WeakPolarHBondContact CG2-O 3.49Å; T277-Q420 HydrophobicContact CG2-CG 4.42Å; T277-Q420 WeakPolarHBondContact OG1-CB 3.41Å; T277-Q420 PolarHBondContact OG1-N 3.21Å
278F97.1Very high96.3Very high6 Ų626.9 Ų26.93%0.02614%0.136CC..Hα-helixtrans-62.1-47.2177.4178.7-91.8000111.6T274 L275 W276 Q280 S281 H282 I287 W358 V360 I388 F414T274-F278 VanDerWaalsContact O-CB 3.3Å; T274-F278 WeakPolarHBondContact O-CB 3.27Å; T274-F278 PolarHBondContact O-N 3.27Å; L275-F278 WeakPolarHBondContact O-CB 3.36Å; L275-F278 PolarHBondContact O-N 2.98Å; W276-F278 VanDerWaalsContact C-N 3.32Å; W276-F278 PolarHBondContact O-N 3.31Å; F278-Q280 PolarHBondContact O-N 3.43Å; F278-S281 PolarHBondContact O-N 3.36Å; F278-S281 PolarHBondContact O-OG 3.24Å; F278-H282 AromaticContact CD2-CE1 3.98Å; F278-H282 AromaticContact CD2-ND1 3.96Å; F278-H282 AromaticContact CE2-CE1 3.64Å; F278-H282 AromaticContact CE2-ND1 3.82Å; F278-H282 PolarHBondContact O-N 3.34Å; F278-H282 PolarHBondContact O-ND1 3.33Å; F278-I287 HydrophobicContact CE1-CD1 4.32Å; F278-W358 HydrophobicContact CE2-CE3 4.35Å; F278-W358 HydrophobicContact CE2-CH2 4.27Å; F278-W358 HydrophobicContact CE2-CZ2 4.47Å; F278-W358 HydrophobicContact CE2-CZ3 4.21Å; F278-W358 AromaticContact CZ-CD2 3.67Å; F278-W358 HydrophobicContact CZ-CD2 3.67Å; F278-W358 AromaticContact CZ-CE3 3.63Å; F278-W358 HydrophobicContact CZ-CE3 3.63Å; F278-W358 HydrophobicContact CZ-CG 4.14Å; F278-W358 HydrophobicContact CZ-CH2 4.28Å; F278-W358 HydrophobicContact CZ-CZ2 4.31Å; F278-W358 AromaticContact CZ-CZ3 3.94Å; F278-W358 HydrophobicContact CZ-CZ3 3.94Å; F278-V360 HydrophobicContact CD1-CG2 3.79Å; F278-V360 HydrophobicContact CE1-CG2 3.33Å; F278-V360 HydrophobicContact CZ-CG2 4.11Å; F278-I388 HydrophobicContact CE2-CG2 4.3Å; F278-I388 HydrophobicContact CZ-CG2 4.15Å; F278-F414 HydrophobicContact CB-CE1 4.13Å; F278-F414 HydrophobicContact CB-CZ 4.35Å; F278-F414 HydrophobicContact CD2-CE1 4.04Å; F278-F414 AromaticContact CD2-CZ 3.88Å; F278-F414 HydrophobicContact CD2-CZ 3.88Å
279L97.3Very high96.4Very high0 Ų026.6 Ų26.60%013%0.134CC..Hα-helixtrans-67.5-37.1-179.6-64176.8000112L275 W276 H282 C283 I287 V289 F304 F311 V340L275-L279 HydrophobicContact CD1-CD1 3.95Å; L275-L279 HydrophobicContact CD1-CD2 4.27Å; L275-L279 HydrophobicContact CD1-CG 3.92Å; L275-L279 HydrophobicContact CD2-CD1 4.43Å; L275-L279 HydrophobicContact CG-CD1 3.86Å; L275-L279 HydrophobicContact CG-CG 4.2Å; L275-L279 VanDerWaalsContact O-CG 3.25Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 2.73Å; W276-L279 PolarHBondContact O-N 2.98Å; L279-H282 CarbonylContact O-C 3.59Å; L279-H282 PolarHBondContact O-N 2.8Å; L279-C283 WeakPolarHBondContact O-CA 3.18Å; L279-C283 PolarHBondContact O-N 3.18Å; L279-I287 HydrophobicContact CD2-CB 4.41Å; L279-I287 HydrophobicContact CD2-CD1 3.75Å; L279-I287 HydrophobicContact CD2-CG2 3.99Å; L279-V289 HydrophobicContact CD2-CG2 4.13Å; L279-F304 HydrophobicContact CD1-CD2 4.37Å; L279-F304 HydrophobicContact CD1-CE2 3.78Å; L279-F311 HydrophobicContact CB-CD1 4.38Å; L279-F311 HydrophobicContact CB-CE1 3.48Å; L279-F311 VanDerWaalsContact CB-CE1 3.48Å; L279-F311 HydrophobicContact CB-CE2 4.45Å; L279-F311 HydrophobicContact CB-CZ 3.52Å; L279-F311 HydrophobicContact CD1-CE2 4.23Å; L279-F311 HydrophobicContact CD1-CZ 3.78Å; L279-F311 HydrophobicContact CG-CZ 4.27Å; L279-V340 HydrophobicContact CD1-CG1 4.07Å; L279-V340 HydrophobicContact CD2-CG1 3.95Å; L279-V340 HydrophobicContact CD2-CG2 4Å
280Q95Very high96.4Very high20 Ų2024.8 Ų24.89%0.09313%0.126CC..Hα-helixtrans-65.9-43.5176.8-71.1-66.80.100112.2W276 T277 F278 H282 C283W276-Q280 HydrophobicContact CD2-CG 4.27Å; W276-Q280 HydrophobicContact CG-CG 4.42Å; W276-Q280 VanDerWaalsContact CH2-NE2 3.34Å; W276-Q280 HydrophobicContact CZ2-CG 4.25Å; W276-Q280 WeakPolarHBondContact O-CB 3.19Å; W276-Q280 VanDerWaalsContact O-CG 3.23Å; W276-Q280 WeakPolarHBondContact O-CG 3.22Å; W276-Q280 PolarHBondContact O-N 2.89Å; T277-Q280 PolarHBondContact O-N 3.41Å; F278-Q280 PolarHBondContact O-N 3.43Å; Q280-H282 PolarHBondContact O-N 3.36Å; Q280-C283 WeakPolarHBondContact O-CB 3.16Å; Q280-C283 PolarHBondContact O-N 2.91Å
281S94.6Very high96.5Very high84 Ų8423.1 Ų23.159%0.58712%0.118SC*.Hα-helixtrans-66.5-18.4174.954.50000113.6T277 F278T277-S281 PolarHBondContact O-N 3.41Å; T277-S281 PolarHBondContact O-OG 2.99Å; F278-S281 PolarHBondContact O-N 3.36Å; F278-S281 PolarHBondContact O-OG 3.24Å
282H95.8Very high96.3Very high49 Ų4923.9 Ų23.923%0.22712%0.124CC..THydrogen-bonded Turntrans-117.628.4178.2-61.681.7000112.3F278 L279 Q280 K284 K285 I287 W358F278-H282 AromaticContact CD2-CE1 3.98Å; F278-H282 AromaticContact CD2-ND1 3.96Å; F278-H282 AromaticContact CE2-CE1 3.64Å; F278-H282 AromaticContact CE2-ND1 3.82Å; F278-H282 PolarHBondContact O-N 3.34Å; F278-H282 PolarHBondContact O-ND1 3.33Å; L279-H282 CarbonylContact O-C 3.59Å; L279-H282 PolarHBondContact O-N 2.8Å; Q280-H282 PolarHBondContact O-N 3.36Å; H282-K284 PolarHBondContact O-N 3.36Å; H282-K285 HydrophobicContact CB-CB 4.3Å; H282-K285 HydrophobicContact CB-CG 4.09Å; H282-K285 WeakPolarHBondContact O-CB 3.27Å; H282-K285 PolarHBondContact O-N 2.86Å; H282-I287 HydrophobicContact CB-CD1 3.83Å; H282-W358 AromaticContact CD2-CE2 3.95Å; H282-W358 AromaticContact CD2-NE1 3.39Å; H282-W358 PolarHBondContact CD2-NE1 2.95Å; H282-W358 AromaticContact NE2-CE2 3.94Å; H282-W358 AromaticContact NE2-CZ2 3.76Å; H282-W358 AromaticContact NE2-NE1 3.83Å
283C94.9Very high96.2Very high32 Ų3224 Ų2422%0.21613%0.125CC..THydrogen-bonded Turntrans-60.2-21.9-170.962.40000114.4L279 Q280 F311 G338L279-C283 WeakPolarHBondContact O-CA 3.18Å; L279-C283 PolarHBondContact O-N 3.18Å; Q280-C283 WeakPolarHBondContact O-CB 3.16Å; Q280-C283 PolarHBondContact O-N 2.91Å; C283-F311 HydrophobicContact CB-CB 4.46Å; C283-F311 HydrophobicContact CB-CD1 4.01Å; C283-F311 WeakPolarHBondContact O-CB 3.39Å; C283-G338 VanDerWaalsContact O-CA 3.24Å; C283-G338 WeakPolarHBondContact O-CA 3.43Å
284K95.4Very high96.1Very high165 Ų16526.9 Ų26.972%0.71714%0.138SC*.THydrogen-bonded Turntrans-86.6-1.7174.6-60.9-175.1-178.9-178.40113.7H282 H337 G338H282-K284 PolarHBondContact O-N 3.36Å; K284-H337 WeakPolarHBondContact O-CB 3.46Å; K284-G338 PolarHBondContact O-N 3.36Å
285K95.3Very high96.1Very high87 Ų8730.2 Ų30.238%0.37815%0.152SC..SBendtrans-95.5157.9-176.7-59.2-58.1-175.5-177.30111.4H282 I287 G338 S339 H357H282-K285 HydrophobicContact CB-CB 4.3Å; H282-K285 HydrophobicContact CB-CG 4.09Å; H282-K285 WeakPolarHBondContact O-CB 3.27Å; H282-K285 PolarHBondContact O-N 2.86Å; K285-I287 HydrophobicContact CB-CD1 4.21Å; K285-I287 HydrophobicContact CB-CG1 4.02Å; K285-G338 PolarHBondContact O-N 3.25Å; K285-S339 PolarHBondContact O-N 3.04Å; K285-H357 HydrophobicContact CB-CB 4.09Å; K285-H357 HydrophobicContact CD-CB 4.3Å
286K95.5Very high96.1Very high2 Ų230.7 Ų30.71%0.00916%0.155CC..EExtended strand (participates in β ladder)trans-91.5117169.9-172.1176.8-171.5169.50109F332 A333 S335 S339 P354 H357 W358K286-F332 HydrophobicContact CD-CE2 4.47Å; K286-F332 HydrophobicContact CD-CZ 4.25Å; K286-F332 WeakPolarHBondContact CE-O 3.34Å; K286-F332 HydrophobicContact CG-CE1 4.42Å; K286-F332 HydrophobicContact CG-CE2 3.71Å; K286-F332 HydrophobicContact CG-CZ 3.59Å; K286-F332 PolarHBondContact NZ-O 3.1Å; K286-A333 PolarHBondContact NZ-O 3.48Å; K286-S335 WeakPolarHBondContact CD-O 3.14Å; K286-S335 VanDerWaalsContact CE-O 3.32Å; K286-S335 WeakPolarHBondContact CE-O 3.32Å; K286-S335 PolarHBondContact NZ-O 3.24Å; K286-S339 CarbonylContact C-O 3.58Å; K286-S339 WeakPolarHBondContact CA-O 3.47Å; K286-P354 PolarHBondContact NZ-O 3.39Å; K286-H357 WeakPolarHBondContact CB-ND1 3.46Å; K286-H357 PolarHBondContact N-ND1 2.93Å; K286-H357 VanDerWaalsContact N-ND1 3.18Å; K286-H357 WeakPolarHBondContact O-CB 3.09Å; K286-H357 PolarHBondContact O-N 2.8Å; K286-W358 PolarHBondContact O-N 2.96Å
287I96.5Very high96.2Very high0 Ų030.7 Ų30.70%016%0.155CC..EExtended strand (participates in β ladder)trans-129.5137.9-167-47.2-173.6000110.5F278 L279 H282 K285 V289 S339 V340 L341 W358 V360F278-I287 HydrophobicContact CE1-CD1 4.32Å; L279-I287 HydrophobicContact CD2-CB 4.41Å; L279-I287 HydrophobicContact CD2-CD1 3.75Å; L279-I287 HydrophobicContact CD2-CG2 3.99Å; H282-I287 HydrophobicContact CB-CD1 3.83Å; K285-I287 HydrophobicContact CB-CD1 4.21Å; K285-I287 HydrophobicContact CB-CG1 4.02Å; I287-V289 HydrophobicContact CG2-CG2 4.13Å; I287-S339 PolarHBondContact N-O 3.25Å; I287-V340 HydrophobicContact CB-CG2 4.2Å; I287-V340 HydrophobicContact CG1-CG2 4.49Å; I287-V340 CarbonylContact O-C 3.5Å; I287-V340 VanDerWaalsContact O-CA 3.32Å; I287-V340 WeakPolarHBondContact O-CA 3.16Å; I287-L341 PolarHBondContact O-N 3.41Å; I287-W358 VanDerWaalsContact CA-O 3.32Å; I287-W358 WeakPolarHBondContact CA-O 3.47Å; I287-W358 HydrophobicContact CB-CB 4.36Å; I287-W358 HydrophobicContact CD1-CB 4.44Å; I287-W358 HydrophobicContact CG1-CB 4.06Å; I287-W358 HydrophobicContact CG2-CB 3.91Å; I287-V360 HydrophobicContact CG2-CG2 3.85Å
288I96Very high96.2Very high0 Ų034 Ų340%017%0.165CC..EExtended strand (participates in β ladder)trans-109133.4166.4-57.6175.9000108.2F290 F332 L341 E348 F353 V356 W358 V359 V360 R377I288-F290 HydrophobicContact CB-CE2 4.49Å; I288-F290 HydrophobicContact CG2-CD2 4.21Å; I288-F290 HydrophobicContact CG2-CE1 4.35Å; I288-F290 HydrophobicContact CG2-CE2 3.71Å; I288-F290 HydrophobicContact CG2-CZ 3.8Å; I288-F332 HydrophobicContact CD1-CE1 3.97Å; I288-F332 HydrophobicContact CD1-CZ 4.45Å; I288-F332 HydrophobicContact CG1-CE1 3.67Å; I288-F332 HydrophobicContact CG1-CZ 3.69Å; I288-L341 CarbonylContact C-O 3.21Å; I288-L341 WeakPolarHBondContact CA-O 3.28Å; I288-L341 HydrophobicContact CG1-CB 4.46Å; I288-E348 HydrophobicContact CG2-CG 4.43Å; I288-F353 HydrophobicContact CD1-CD2 3.74Å; I288-F353 HydrophobicContact CD1-CE2 4.33Å; I288-V356 HydrophobicContact CD1-CG1 4.01Å; I288-V356 HydrophobicContact CD1-CG2 3.85Å; I288-V356 HydrophobicContact CG1-CG1 3.95Å; I288-V356 HydrophobicContact CG1-CG2 4.33Å; I288-W358 PolarHBondContact N-O 3.16Å; I288-V359 CarbonylContact O-C 3.6Å; I288-V359 WeakPolarHBondContact O-CA 3.41Å; I288-V360 PolarHBondContact O-N 3.33Å; I288-R377 HydrophobicContact CD1-CB 4.03Å; I288-R377 HydrophobicContact CD1-CG 4.41Å
289V97.6Very high96.3Very high0 Ų033.9 Ų33.90%017%0.165CC..EExtended strand (participates in β ladder)trans-119117.9177.7-171.20000109.7L275 L279 I287 F291 V340 L341 L342 A343 V360 F362L275-V289 HydrophobicContact CD1-CG1 3.87Å; L275-V289 HydrophobicContact CD1-CG2 4.17Å; L275-V289 HydrophobicContact CD2-CG1 4.01Å; L279-V289 HydrophobicContact CD2-CG2 4.13Å; I287-V289 HydrophobicContact CG2-CG2 4.13Å; V289-F291 HydrophobicContact CB-CE2 4.08Å; V289-F291 HydrophobicContact CG1-CD2 4.2Å; V289-F291 HydrophobicContact CG1-CE2 3.53Å; V289-F291 HydrophobicContact CG1-CZ 3.97Å; V289-V340 HydrophobicContact CG2-CG1 3.76Å; V289-L341 PolarHBondContact N-O 3.25Å; V289-L342 HydrophobicContact CB-CD2 3.73Å; V289-L342 HydrophobicContact CG1-CD2 4.37Å; V289-L342 HydrophobicContact CG2-CD2 3.8Å; V289-A343 PolarHBondContact O-N 3.45Å; V289-V360 CarbonylContact C-O 3.48Å; V289-V360 VanDerWaalsContact CA-O 3.27Å; V289-V360 WeakPolarHBondContact CA-O 3.37Å; V289-V360 HydrophobicContact CB-CB 4.44Å; V289-V360 HydrophobicContact CG1-CB 4.18Å; V289-V360 HydrophobicContact CG1-CG1 4.21Å; V289-V360 HydrophobicContact CG2-CB 4.16Å; V289-F362 HydrophobicContact CG1-CB 3.92Å
290F96.7Very high96.3Very high1 Ų133.9 Ų33.90%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-94.2120.3179.5-69.5-79.7000112.3I288 A343 E348 V359 V360 Q361 F362 D363 R374 R377I288-F290 HydrophobicContact CB-CE2 4.49Å; I288-F290 HydrophobicContact CG2-CD2 4.21Å; I288-F290 HydrophobicContact CG2-CE1 4.35Å; I288-F290 HydrophobicContact CG2-CE2 3.71Å; I288-F290 HydrophobicContact CG2-CZ 3.8Å; F290-A343 CarbonylContact C-O 3.54Å; F290-A343 WeakPolarHBondContact CA-O 3.36Å; F290-E348 HydrophobicContact CE1-CB 3.78Å; F290-E348 HydrophobicContact CE1-CG 3.88Å; F290-E348 WeakPolarHBondContact CE1-OE2 3.34Å; F290-E348 HydrophobicContact CZ-CB 4.39Å; F290-E348 HydrophobicContact CZ-CG 4.02Å; F290-E348 WeakPolarHBondContact CZ-OE2 3.34Å; F290-V359 HydrophobicContact CD2-CG1 3.75Å; F290-V359 HydrophobicContact CE2-CG1 3.57Å; F290-V360 PolarHBondContact N-O 3.38Å; F290-Q361 HydrophobicContact CD2-CG 4.49Å; F290-F362 WeakPolarHBondContact O-CA 3.33Å; F290-F362 VanDerWaalsContact O-CB 3.28Å; F290-F362 WeakPolarHBondContact O-CB 3.34Å; F290-F362 PolarHBondContact O-N 3.34Å; F290-D363 PolarHBondContact O-N 3.23Å; F290-R374 HydrophobicContact CD1-CG 4.01Å; F290-R374 HydrophobicContact CD2-CB 3.89Å; F290-R374 HydrophobicContact CD2-CG 3.82Å; F290-R374 HydrophobicContact CE1-CG 3.98Å; F290-R374 HydrophobicContact CE2-CB 3.64Å; F290-R374 HydrophobicContact CE2-CG 3.81Å; F290-R374 HydrophobicContact CG-CB 4.49Å; F290-R374 HydrophobicContact CG-CG 3.9Å; F290-R374 HydrophobicContact CZ-CB 4.04Å; F290-R374 HydrophobicContact CZ-CG 3.89Å; F290-R377 HydrophobicContact CZ-CG 4.26Å
291F97Very high96.5Very high2 Ų235.1 Ų35.11%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-104.8155.5168.9-64.2-98.3000110.3L272 L275 V289 Q296 V297 A300 L342 A343 F362L272-F291 HydrophobicContact CD2-CE1 4.49Å; L275-F291 HydrophobicContact CD2-CE1 4.48Å; L275-F291 HydrophobicContact CD2-CZ 3.77Å; V289-F291 HydrophobicContact CB-CE2 4.08Å; V289-F291 HydrophobicContact CG1-CD2 4.2Å; V289-F291 HydrophobicContact CG1-CE2 3.53Å; V289-F291 HydrophobicContact CG1-CZ 3.97Å; F291-Q296 HydrophobicContact CB-CB 4.23Å; F291-Q296 HydrophobicContact CD1-CB 3.79Å; F291-Q296 HydrophobicContact CG-CB 4.28Å; F291-V297 HydrophobicContact CB-CG2 3.73Å; F291-V297 HydrophobicContact CD2-CG2 3.8Å; F291-V297 HydrophobicContact CG-CG2 3.99Å; F291-A300 HydrophobicContact CE1-CB 4.17Å; F291-A300 HydrophobicContact CZ-CB 3.84Å; F291-L342 HydrophobicContact CD2-CB 4.49Å; F291-L342 HydrophobicContact CE2-CB 4.03Å; F291-L342 HydrophobicContact CE2-CD1 4.28Å; F291-L342 HydrophobicContact CE2-CD2 3.99Å; F291-L342 HydrophobicContact CE2-CG 4.31Å; F291-A343 PolarHBondContact N-O 3.22Å; F291-F362 HydrophobicContact CD1-CB 4.22Å; F291-F362 AromaticContact CD1-CD1 3.37Å; F291-F362 HydrophobicContact CD1-CD1 3.37Å; F291-F362 AromaticContact CD1-CE1 3.85Å; F291-F362 HydrophobicContact CD1-CE1 3.85Å; F291-F362 AromaticContact CD1-CG 3.87Å; F291-F362 HydrophobicContact CD1-CG 3.87Å; F291-F362 HydrophobicContact CE1-CB 4.17Å; F291-F362 AromaticContact CE1-CD1 3.43Å; F291-F362 HydrophobicContact CE1-CD1 3.43Å; F291-F362 VanDerWaalsContact CE1-CD1 3.43Å; F291-F362 HydrophobicContact CE1-CD2 4.04Å; F291-F362 AromaticContact CE1-CE1 3.71Å; F291-F362 HydrophobicContact CE1-CE1 3.71Å; F291-F362 HydrophobicContact CE1-CE2 4.23Å; F291-F362 AromaticContact CE1-CG 3.61Å; F291-F362 HydrophobicContact CE1-CG 3.61Å; F291-F362 HydrophobicContact CE1-CZ 4.09Å; F291-F362 HydrophobicContact CG-CD1 4.33Å; F291-F362 HydrophobicContact CZ-CB 4.43Å; F291-F362 HydrophobicContact CZ-CD1 4.41Å; F291-F362 HydrophobicContact CZ-CD2 4.41Å; F291-F362 HydrophobicContact CZ-CG 4.18Å
292S93.4Very high96.6Very high18 Ų1832.9 Ų32.913%0.12615%0.149CC..SBendtrans-68.7-40.917553.70000112Q296 D363 D451S292-Q296 PolarHBondContact OG-OE1 3.49Å; S292-D363 WeakPolarHBondContact CB-OD2 3.23Å; S292-D363 PolarHBondContact N-OD2 3.48Å; S292-D363 PolarHBondContact OG-OD2 3Å; S292-D451 VanDerWaalsContact CB-OD2 3.29Å; S292-D451 WeakPolarHBondContact CB-OD2 3.42Å
293T95.4Very high96.7Very high16 Ų1630.5 Ų30.510%0.09814%0.139CC..  trans-120.7149.5-173.876.90000115K295 Q296 V297 T344 A447 D451T293-K295 PolarHBondContact O-N 3.48Å; T293-Q296 PolarHBondContact O-N 3.44Å; T293-Q296 WeakPolarHBondContact OG1-CG 3.18Å; T293-Q296 PolarHBondContact OG1-N 2.84Å; T293-Q296 PolarHBondContact OG1-OE1 3.06Å; T293-V297 PolarHBondContact O-N 3.22Å; T293-T344 VanDerWaalsContact C-CG2 3.4Å; T293-A447 HydrophobicContact CG2-CB 4.09Å; T293-D451 HydrophobicContact CG2-CB 3.58Å
294Q95.6Very high96.8Very high63 Ų6329 Ų2929%0.29413%0.128SC..Hα-helixtrans-64.6-28.7176.6-62.2179.552.900112.2V297 R298 R317 N319 T344Q294-V297 PolarHBondContact O-N 3.16Å; Q294-R298 PolarHBondContact O-N 3.02Å; Q294-R317 HydrophobicContact CB-CB 4.29Å; Q294-R317 HydrophobicContact CG-CB 4.23Å; Q294-R317 WeakPolarHBondContact O-CD 3.3Å; Q294-N319 PolarHBondContact OE1-OD1 2.95Å; Q294-T344 HydrophobicContact CB-CG2 4.38Å; Q294-T344 HydrophobicContact CG-CG2 3.84Å
295K97.7Very high96.9Very high72 Ų7225.4 Ų25.431%0.31311%0.114SC..Hα-helixtrans-72-38179.2-60.8-60.6-171174.30111.4T293 R298 Y299 L443 A444 A447T293-K295 PolarHBondContact O-N 3.48Å; K295-R298 WeakPolarHBondContact O-CB 3.32Å; K295-R298 PolarHBondContact O-N 3.27Å; K295-Y299 PolarHBondContact O-N 3.18Å; K295-L443 HydrophobicContact CB-CB 4.34Å; K295-L443 HydrophobicContact CD-CB 4.04Å; K295-L443 HydrophobicContact CD-CD1 4.39Å; K295-L443 HydrophobicContact CG-CB 4.21Å; K295-A444 HydrophobicContact CB-CB 4.45Å; K295-A447 HydrophobicContact CB-CB 3.77Å; K295-A447 HydrophobicContact CG-CB 3.89Å
296Q98.1Very high96.9Very high11 Ų1123.8 Ų23.85%0.05111%0.109CC..Hα-helixtrans-62.6-45.7170.7-72.4164.9-7000112F291 S292 T293 R298 Y299 A300 D363 A444F291-Q296 HydrophobicContact CB-CB 4.23Å; F291-Q296 HydrophobicContact CD1-CB 3.79Å; F291-Q296 HydrophobicContact CG-CB 4.28Å; S292-Q296 PolarHBondContact OG-OE1 3.49Å; T293-Q296 PolarHBondContact O-N 3.44Å; T293-Q296 WeakPolarHBondContact OG1-CG 3.18Å; T293-Q296 PolarHBondContact OG1-N 2.84Å; T293-Q296 PolarHBondContact OG1-OE1 3.06Å; Q296-R298 PolarHBondContact O-N 2.91Å; Q296-Y299 PolarHBondContact O-N 3.23Å; Q296-A300 WeakPolarHBondContact O-CB 3.43Å; Q296-A300 PolarHBondContact O-N 2.78Å; Q296-D363 PolarHBondContact NE2-OD2 2.62Å; Q296-D363 PolarHBondContact OE1-OD2 3.47Å; Q296-A444 HydrophobicContact CG-CB 4.31Å
297V98.1Very high96.9Very high0 Ų023.7 Ų23.70%011%0.109CC..Hα-helixtrans-55-44.9176175.80000110.7F291 T293 Q294 Y301 Q315 R317 L342 T344F291-V297 HydrophobicContact CB-CG2 3.73Å; F291-V297 HydrophobicContact CD2-CG2 3.8Å; F291-V297 HydrophobicContact CG-CG2 3.99Å; T293-V297 PolarHBondContact O-N 3.22Å; Q294-V297 PolarHBondContact O-N 3.16Å; V297-Y301 VanDerWaalsContact O-CB 3.23Å; V297-Y301 WeakPolarHBondContact O-CB 3.49Å; V297-Y301 PolarHBondContact O-N 3.14Å; V297-Q315 HydrophobicContact CG1-CB 3.84Å; V297-R317 HydrophobicContact CB-CG 3.89Å; V297-R317 HydrophobicContact CG1-CG 3.53Å; V297-L342 HydrophobicContact CG1-CB 3.87Å; V297-L342 WeakPolarHBondContact CG1-O 3.45Å; V297-T344 HydrophobicContact CG2-CG2 3.77Å
298R97.8Very high96.7Very high85 Ų8533.8 Ų33.832%0.32115%0.147SC..Hα-helixtrans-59.5-54177.9-177.7169.2-178.1177-2.1112.2Q294 K295 Q296 Y301 E302Q294-R298 PolarHBondContact O-N 3.02Å; K295-R298 WeakPolarHBondContact O-CB 3.32Å; K295-R298 PolarHBondContact O-N 3.27Å; Q296-R298 PolarHBondContact O-N 2.91Å; R298-Y301 PolarHBondContact O-N 3.05Å; R298-E302 HydrophobicContact CG-CG 4.43Å; R298-E302 WeakPolarHBondContact CG-OE1 3.42Å; R298-E302 IonicContact CZ-OE1 2.77Å; R298-E302 IonicContact NE-OE1 3.52Å; R298-E302 PolarHBondContact NE-OE1 3.24Å; R298-E302 IonicContact NE-OE2 3.74Å; R298-E302 IonicContact NH2-OE1 2.75Å; R298-E302 PolarHBondContact NH2-OE1 3.34Å; R298-E302 WeakPolarHBondContact O-CG 3.33Å; R298-E302 PolarHBondContact O-N 3.42Å
299Y98.4Very high96.6Very high4 Ų435 Ų352%0.01616%0.155CC..Hα-helixtrans-61.9-47.9-177.7170.8-107.7000111.7L272 K295 Q296 Y301 E302 L303 L431 L437 S440 A441 A444 L490L272-Y299 HydrophobicContact CD1-CD1 4.46Å; L272-Y299 HydrophobicContact CD1-CE1 3.84Å; K295-Y299 PolarHBondContact O-N 3.18Å; Q296-Y299 PolarHBondContact O-N 3.23Å; Y299-Y301 VanDerWaalsContact C-N 3.32Å; Y299-Y301 PolarHBondContact O-N 3.35Å; Y299-E302 PolarHBondContact O-N 3.41Å; Y299-L303 HydrophobicContact CE1-CD2 3.89Å; Y299-L303 HydrophobicContact CE2-CB 4.48Å; Y299-L303 HydrophobicContact CE2-CD2 4.39Å; Y299-L303 WeakPolarHBondContact O-CB 3.49Å; Y299-L303 PolarHBondContact O-N 2.82Å; Y299-L303 WeakPolarHBondContact OH-CD2 3.4Å; Y299-L431 HydrophobicContact CE2-CD1 4.2Å; Y299-L437 HydrophobicContact CD2-CD1 4Å; Y299-L437 HydrophobicContact CE2-CD1 4.04Å; Y299-L437 HydrophobicContact CE2-CG 4.39Å; Y299-S440 WeakPolarHBondContact CA-OG 3.37Å; Y299-A441 VanDerWaalsContact CD2-CA 3.47Å; Y299-A441 HydrophobicContact CD2-CB 3.67Å; Y299-A441 HydrophobicContact CE2-CB 3.38Å; Y299-A441 HydrophobicContact CG-CB 4.49Å; Y299-A444 HydrophobicContact CD1-CB 4.29Å; Y299-A444 HydrophobicContact CG-CB 4.09Å; Y299-L490 HydrophobicContact CD1-CD2 4.15Å; Y299-L490 HydrophobicContact CE1-CB 4.3Å; Y299-L490 HydrophobicContact CE1-CD2 3.55Å; Y299-L490 HydrophobicContact CE1-CG 4.48Å; Y299-L490 VanDerWaalsContact OH-C 3.24Å; Y299-L490 WeakPolarHBondContact OH-CA 3.38Å; Y299-L490 PolarHBondContact OH-O 2.84Å
300A98.3Very high96.5Very high1 Ų144 Ų441%0.00819%0.19CC..Hα-helixtrans-60.7-41178.600000111.9L272 F291 Q296 F304 L342L272-A300 HydrophobicContact CD2-CB 4.48Å; F291-A300 HydrophobicContact CE1-CB 4.17Å; F291-A300 HydrophobicContact CZ-CB 3.84Å; Q296-A300 WeakPolarHBondContact O-CB 3.43Å; Q296-A300 PolarHBondContact O-N 2.78Å; A300-F304 VanDerWaalsContact O-CB 3.23Å; A300-F304 WeakPolarHBondContact O-CB 3.34Å; A300-F304 VanDerWaalsContact O-CG 3.23Å; A300-F304 WeakPolarHBondContact O-CG 3.32Å; A300-F304 PolarHBondContact O-N 3.32Å; A300-L342 HydrophobicContact CB-CD1 3.82Å
301Y98.1Very high96.4Very high45 Ų4544.5 Ų44.518%0.17619%0.192CC..Hα-helixtrans-61.9-53.8175.2175.4-97.2000112V297 R298 Y299 L303 F304 Q305 I313 Q315V297-Y301 VanDerWaalsContact O-CB 3.23Å; V297-Y301 WeakPolarHBondContact O-CB 3.49Å; V297-Y301 PolarHBondContact O-N 3.14Å; R298-Y301 PolarHBondContact O-N 3.05Å; Y299-Y301 VanDerWaalsContact C-N 3.32Å; Y299-Y301 PolarHBondContact O-N 3.35Å; Y301-L303 VanDerWaalsContact C-N 3.34Å; Y301-L303 PolarHBondContact O-N 2.9Å; Y301-F304 PolarHBondContact O-N 3.07Å; Y301-Q305 HydrophobicContact CE1-CG 4.27Å; Y301-Q305 HydrophobicContact CE2-CG 4.34Å; Y301-Q305 VanDerWaalsContact CZ-NE2 3.34Å; Y301-Q305 WeakPolarHBondContact O-CG 3.42Å; Y301-Q305 PolarHBondContact O-N 3.02Å; Y301-Q305 PolarHBondContact OH-NE2 3.16Å; Y301-I313 HydrophobicContact CD2-CD1 4.34Å; Y301-I313 HydrophobicContact CD2-CG1 4.04Å; Y301-I313 HydrophobicContact CD2-CG2 4.23Å; Y301-I313 HydrophobicContact CE2-CG2 4.06Å; Y301-I313 WeakPolarHBondContact CE2-O 3.15Å; Y301-Q315 HydrophobicContact CD1-CG 4.06Å; Y301-Q315 HydrophobicContact CD2-CB 3.74Å; Y301-Q315 HydrophobicContact CD2-CG 3.71Å; Y301-Q315 HydrophobicContact CE1-CG 4.23Å; Y301-Q315 HydrophobicContact CE2-CB 4.33Å; Y301-Q315 HydrophobicContact CE2-CG 3.95Å; Y301-Q315 HydrophobicContact CG-CB 3.95Å; Y301-Q315 HydrophobicContact CG-CG 3.76Å; Y301-Q315 VanDerWaalsContact CG-OE1 3.31Å
302E97.8Very high96.4Very high37 Ų3751.7 Ų51.717%0.17322%0.224CC..Hα-helixtrans-61.7-42.6-178.1-71.3167.717200111.2R298 Y299 L306 L437 S440R298-E302 HydrophobicContact CG-CG 4.43Å; R298-E302 WeakPolarHBondContact CG-OE1 3.42Å; R298-E302 IonicContact CZ-OE1 2.77Å; R298-E302 IonicContact NE-OE1 3.52Å; R298-E302 PolarHBondContact NE-OE1 3.24Å; R298-E302 IonicContact NE-OE2 3.74Å; R298-E302 IonicContact NH2-OE1 2.75Å; R298-E302 PolarHBondContact NH2-OE1 3.34Å; R298-E302 WeakPolarHBondContact O-CG 3.33Å; R298-E302 PolarHBondContact O-N 3.42Å; Y299-E302 PolarHBondContact O-N 3.41Å; E302-L306 WeakPolarHBondContact O-CG 3.33Å; E302-L306 PolarHBondContact O-N 3.34Å; E302-L437 HydrophobicContact CB-CD1 3.8Å; E302-S440 WeakPolarHBondContact OE2-CB 3.3Å; E302-S440 PolarHBondContact OE2-OG 2.74Å
303L97.7Very high96.6Very high0 Ų051.8 Ų51.80%022%0.222CC..Hα-helixtrans-64.4-50.1177.4-178.363.3000111.6Y299 Y301 Q305 L306 L307 V423 L430 L437Y299-L303 HydrophobicContact CE1-CD2 3.89Å; Y299-L303 HydrophobicContact CE2-CB 4.48Å; Y299-L303 HydrophobicContact CE2-CD2 4.39Å; Y299-L303 WeakPolarHBondContact O-CB 3.49Å; Y299-L303 PolarHBondContact O-N 2.82Å; Y299-L303 WeakPolarHBondContact OH-CD2 3.4Å; Y301-L303 VanDerWaalsContact C-N 3.34Å; Y301-L303 PolarHBondContact O-N 2.9Å; L303-Q305 VanDerWaalsContact C-N 3.3Å; L303-Q305 PolarHBondContact O-N 3.27Å; L303-L306 WeakPolarHBondContact O-CB 3.21Å; L303-L306 PolarHBondContact O-N 3.32Å; L303-L306 VanDerWaalsContact O-N 3.08Å; L303-L307 HydrophobicContact CG-CD1 4.21Å; L303-L307 WeakPolarHBondContact O-CG 3.48Å; L303-L307 PolarHBondContact O-N 2.79Å; L303-L307 VanDerWaalsContact O-N 3.09Å; L303-V423 HydrophobicContact CD2-CG1 3.39Å; L303-V423 HydrophobicContact CG-CG1 4.39Å; L303-L430 HydrophobicContact CD1-CD1 3.85Å; L303-L437 HydrophobicContact CB-CD1 4.39Å; L303-L437 HydrophobicContact CD1-CD2 4.28Å
304F97.4Very high96.7Very high0 Ų051.6 Ų51.60%022%0.221CC..Hα-helixtrans-65.6-34.9-178.2-74.15.4000111.4L275 W276 L279 A300 Y301 L306 L307 R308 P309 I313 V423L275-F304 HydrophobicContact CD2-CE2 4.05Å; L275-F304 HydrophobicContact CD2-CZ 4.12Å; L275-F304 HydrophobicContact CG-CE2 4.37Å; L275-F304 HydrophobicContact CG-CZ 4.41Å; W276-F304 HydrophobicContact CB-CZ 4.33Å; W276-F304 AromaticContact CE3-CD1 3.7Å; W276-F304 HydrophobicContact CE3-CD1 3.7Å; W276-F304 HydrophobicContact CE3-CD2 4.28Å; W276-F304 AromaticContact CE3-CE1 3.73Å; W276-F304 HydrophobicContact CE3-CE1 3.73Å; W276-F304 HydrophobicContact CE3-CE2 4.32Å; W276-F304 AromaticContact CE3-CG 3.98Å; W276-F304 HydrophobicContact CE3-CG 3.98Å; W276-F304 HydrophobicContact CE3-CZ 4.05Å; W276-F304 HydrophobicContact CZ3-CB 4.2Å; W276-F304 AromaticContact CZ3-CD1 3.93Å; W276-F304 HydrophobicContact CZ3-CD1 3.93Å; W276-F304 HydrophobicContact CZ3-CD2 4.49Å; W276-F304 HydrophobicContact CZ3-CE1 4.43Å; W276-F304 AromaticContact CZ3-CG 3.96Å; W276-F304 HydrophobicContact CZ3-CG 3.96Å; L279-F304 HydrophobicContact CD1-CD2 4.37Å; L279-F304 HydrophobicContact CD1-CE2 3.78Å; A300-F304 VanDerWaalsContact O-CB 3.23Å; A300-F304 WeakPolarHBondContact O-CB 3.34Å; A300-F304 VanDerWaalsContact O-CG 3.23Å; A300-F304 WeakPolarHBondContact O-CG 3.32Å; A300-F304 PolarHBondContact O-N 3.32Å; Y301-F304 PolarHBondContact O-N 3.07Å; F304-L306 PolarHBondContact O-N 3.17Å; F304-L307 HydrophobicContact CD1-CD1 4.12Å; F304-L307 PolarHBondContact O-N 2.89Å; F304-L307 VanDerWaalsContact O-N 3.14Å; F304-R308 PolarHBondContact O-N 2.86Å; F304-P309 WeakPolarHBondContact O-CD 3.31Å; F304-I313 HydrophobicContact CB-CD1 3.34Å; F304-I313 HydrophobicContact CD2-CD1 3.66Å; F304-I313 HydrophobicContact CG-CD1 3.98Å; F304-V423 HydrophobicContact CE1-CG2 3.96Å
305Q96.1Very high96.7Very high90 Ų9049.5 Ų49.542%0.42121%0.211SC..Hα-helixtrans-56-40.1172.1-77.1-170.5-56.600112.5Y301 L303 R308 I313Y301-Q305 HydrophobicContact CE1-CG 4.27Å; Y301-Q305 HydrophobicContact CE2-CG 4.34Å; Y301-Q305 VanDerWaalsContact CZ-NE2 3.34Å; Y301-Q305 WeakPolarHBondContact O-CG 3.42Å; Y301-Q305 PolarHBondContact O-N 3.02Å; Y301-Q305 PolarHBondContact OH-NE2 3.16Å; L303-Q305 VanDerWaalsContact C-N 3.3Å; L303-Q305 PolarHBondContact O-N 3.27Å; Q305-R308 PolarHBondContact O-N 3.18Å; Q305-I313 HydrophobicContact CG-CG2 3.72Å
306L95.7Very high96.5Very high53 Ų5346 Ų4628%0.27720%0.196SC..Hα-helixtrans-72.7-31.7178.4-61.5171.6000112.9E302 L303 F304 R308 L430 K434 L437E302-L306 WeakPolarHBondContact O-CG 3.33Å; E302-L306 PolarHBondContact O-N 3.34Å; L303-L306 WeakPolarHBondContact O-CB 3.21Å; L303-L306 PolarHBondContact O-N 3.32Å; L303-L306 VanDerWaalsContact O-N 3.08Å; F304-L306 PolarHBondContact O-N 3.17Å; L306-R308 PolarHBondContact O-N 3.23Å; L306-L430 HydrophobicContact CB-CD1 4.21Å; L306-L430 HydrophobicContact CB-CD2 4.32Å; L306-K434 HydrophobicContact CD1-CD 4.02Å; L306-K434 HydrophobicContact CD2-CD 4.24Å; L306-K434 VanDerWaalsContact CD2-NZ 3.29Å; L306-L437 HydrophobicContact CD1-CD2 3.63Å
307L95.2Very high96.2Very high0 Ų046.7 Ų46.70%020%0.198CC..Hα-helixtrans-74.5-9176.4-64.7175.2000113.6W276 L303 F304 R422 V423 E426 L430W276-L307 HydrophobicContact CD2-CD1 4.45Å; W276-L307 HydrophobicContact CE3-CD1 3.99Å; W276-L307 HydrophobicContact CH2-CB 3.31Å; W276-L307 HydrophobicContact CH2-CD1 4.11Å; W276-L307 HydrophobicContact CH2-CG 4.35Å; W276-L307 HydrophobicContact CZ2-CB 4.05Å; W276-L307 HydrophobicContact CZ3-CB 3.64Å; W276-L307 HydrophobicContact CZ3-CD1 3.82Å; W276-L307 HydrophobicContact CZ3-CG 4.4Å; L303-L307 HydrophobicContact CG-CD1 4.21Å; L303-L307 WeakPolarHBondContact O-CG 3.48Å; L303-L307 PolarHBondContact O-N 2.79Å; L303-L307 VanDerWaalsContact O-N 3.09Å; F304-L307 HydrophobicContact CD1-CD1 4.12Å; F304-L307 PolarHBondContact O-N 2.89Å; F304-L307 VanDerWaalsContact O-N 3.14Å; L307-R422 HydrophobicContact CD2-CG 4.46Å; L307-R422 PolarHBondContact O-NH1 3Å; L307-R422 PolarHBondContact O-NH2 2.77Å; L307-V423 HydrophobicContact CD1-CG2 3.95Å; L307-E426 HydrophobicContact CD2-CB 3.96Å; L307-E426 HydrophobicContact CD2-CG 4.48Å; L307-E426 WeakPolarHBondContact CD2-OE2 3.31Å; L307-L430 HydrophobicContact CD2-CD1 3.8Å; L307-L430 HydrophobicContact CG-CD1 4.34Å
308R93.6Very high95.6Very high212 Ų21248 Ų4880%0.821%0.211SC*.  trans53.670.6177.2-60.7-176.4179.6171.8-1.9113.4F304 Q305 L306F304-R308 PolarHBondContact O-N 2.86Å; Q305-R308 PolarHBondContact O-N 3.18Å; L306-R308 PolarHBondContact O-N 3.23Å
309P93.9Very high95Very high25 Ų2548.5 Ų48.516%0.16222%0.22CC..  trans-68.5157.8177.928.5-37.4000112.5W276 F304 F311W276-P309 HydrophobicContact CH2-CB 4.04Å; W276-P309 HydrophobicContact CZ3-CB 4.14Å; F304-P309 WeakPolarHBondContact O-CD 3.31Å; P309-F311 HydrophobicContact CB-CD1 3.86Å; P309-F311 HydrophobicContact CB-CD2 3.99Å; P309-F311 HydrophobicContact CB-CE1 3.52Å; P309-F311 HydrophobicContact CB-CE2 3.68Å; P309-F311 HydrophobicContact CB-CG 4.08Å; P309-F311 HydrophobicContact CB-CZ 3.43Å; P309-F311 VanDerWaalsContact CB-CZ 3.43Å; P309-F311 HydrophobicContact CG-CD2 4.18Å; P309-F311 HydrophobicContact CG-CE2 3.89Å; P309-F311 HydrophobicContact CG-CZ 4.11Å; P309-F311 PolarHBondContact O-N 3.24Å; P309-F311 VanDerWaalsContact O-N 3.13Å
310Y94Very high94.6Very high189 Ų18949.3 Ų49.374%0.74122%0.224SC*.SBendtrans-77.514.8173.8-59.8-64.9000114
311F95.7Very high94.3Very high12 Ų1254 Ų545%0.05325%0.249CC..SBendtrans-135.8152.5-179.353.3-100.3000110.3L279 C283 P309 I313 V340L279-F311 HydrophobicContact CB-CD1 4.38Å; L279-F311 HydrophobicContact CB-CE1 3.48Å; L279-F311 VanDerWaalsContact CB-CE1 3.48Å; L279-F311 HydrophobicContact CB-CE2 4.45Å; L279-F311 HydrophobicContact CB-CZ 3.52Å; L279-F311 HydrophobicContact CD1-CE2 4.23Å; L279-F311 HydrophobicContact CD1-CZ 3.78Å; L279-F311 HydrophobicContact CG-CZ 4.27Å; C283-F311 HydrophobicContact CB-CB 4.46Å; C283-F311 HydrophobicContact CB-CD1 4.01Å; C283-F311 WeakPolarHBondContact O-CB 3.39Å; P309-F311 HydrophobicContact CB-CD1 3.86Å; P309-F311 HydrophobicContact CB-CD2 3.99Å; P309-F311 HydrophobicContact CB-CE1 3.52Å; P309-F311 HydrophobicContact CB-CE2 3.68Å; P309-F311 HydrophobicContact CB-CG 4.08Å; P309-F311 HydrophobicContact CB-CZ 3.43Å; P309-F311 VanDerWaalsContact CB-CZ 3.43Å; P309-F311 HydrophobicContact CG-CD2 4.18Å; P309-F311 HydrophobicContact CG-CE2 3.89Å; P309-F311 HydrophobicContact CG-CZ 4.11Å; P309-F311 PolarHBondContact O-N 3.24Å; P309-F311 VanDerWaalsContact O-N 3.13Å; F311-I313 HydrophobicContact CE2-CB 4.44Å; F311-I313 PolarHBondContact O-N 3.49Å; F311-V340 HydrophobicContact CB-CG2 4.32Å; F311-V340 HydrophobicContact CD1-CG2 4.47Å; F311-V340 HydrophobicContact CD2-CB 3.82Å; F311-V340 HydrophobicContact CD2-CG2 3.27Å; F311-V340 HydrophobicContact CE2-CB 3.95Å; F311-V340 HydrophobicContact CE2-CG2 3.59Å; F311-V340 HydrophobicContact CG-CG2 3.78Å; F311-V340 HydrophobicContact CZ-CG2 4.33Å
312K96.4Very high93.8Very high153 Ų15352.4 Ų52.467%0.66524%0.243SC*.EExtended strand (participates in β ladder)trans-71.5121.6176.1-65.8179.2-177.5178.70109.2G338 S339 V340K312-G338 PolarHBondContact N-O 2.87Å; K312-S339 CarbonylContact O-C 3.53Å; K312-S339 WeakPolarHBondContact O-CA 3.46Å; K312-V340 PolarHBondContact O-N 3.45Å
313I97.6Very high93.4Very high19 Ų1955.9 Ų55.910%0.09726%0.259CS..EExtended strand (participates in β ladder)trans-100.3132.1177.2-163.9173.4000111.3Y301 F304 Q305 F311 L342Y301-I313 HydrophobicContact CD2-CD1 4.34Å; Y301-I313 HydrophobicContact CD2-CG1 4.04Å; Y301-I313 HydrophobicContact CD2-CG2 4.23Å; Y301-I313 HydrophobicContact CE2-CG2 4.06Å; Y301-I313 WeakPolarHBondContact CE2-O 3.15Å; F304-I313 HydrophobicContact CB-CD1 3.34Å; F304-I313 HydrophobicContact CD2-CD1 3.66Å; F304-I313 HydrophobicContact CG-CD1 3.98Å; Q305-I313 HydrophobicContact CG-CG2 3.72Å; F311-I313 HydrophobicContact CE2-CB 4.44Å; F311-I313 PolarHBondContact O-N 3.49Å; I313-L342 HydrophobicContact CD1-CD1 3.92Å; I313-L342 HydrophobicContact CD1-CG 4.32Å; I313-L342 HydrophobicContact CG1-CD1 4.36Å; I313-L342 HydrophobicContact CG1-CG 4.28Å
314L97Very high93.1Very high13 Ų1361.5 Ų61.57%0.06828%0.284CS..EExtended strand (participates in β ladder)trans-129.4159178.9-60.7176000109.4V328 R331 F332 V340 L341 L342L314-V328 HydrophobicContact CB-CG1 4.11Å; L314-R331 HydrophobicContact CD1-CG 4.2Å; L314-R331 HydrophobicContact CD2-CG 4.32Å; L314-F332 HydrophobicContact CD1-CB 3.71Å; L314-F332 HydrophobicContact CD1-CD2 4.01Å; L314-F332 HydrophobicContact CD1-CG 4.32Å; L314-V340 PolarHBondContact N-O 3.45Å; L314-L341 HydrophobicContact CB-CD1 3.82Å; L314-L342 PolarHBondContact O-N 2.93Å
315Q96.5Very high92.8Very high18 Ų1862.3 Ų62.38%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-138.7141.3175.561.9178-11.800112.3V297 Y301 M320 V328 L342V297-Q315 HydrophobicContact CG1-CB 3.84Å; Y301-Q315 HydrophobicContact CD1-CG 4.06Å; Y301-Q315 HydrophobicContact CD2-CB 3.74Å; Y301-Q315 HydrophobicContact CD2-CG 3.71Å; Y301-Q315 HydrophobicContact CE1-CG 4.23Å; Y301-Q315 HydrophobicContact CE2-CB 4.33Å; Y301-Q315 HydrophobicContact CE2-CG 3.95Å; Y301-Q315 HydrophobicContact CG-CB 3.95Å; Y301-Q315 HydrophobicContact CG-CG 3.76Å; Y301-Q315 VanDerWaalsContact CG-OE1 3.31Å; Q315-M320 HydrophobicContact CG-SD 4.44Å; Q315-M320 WeakPolarHBondContact O-CE 3.36Å; Q315-V328 WeakPolarHBondContact O-CG1 3.35Å; Q315-L342 CarbonylContact C-O 3.54Å; Q315-L342 VanDerWaalsContact CA-O 3.24Å; Q315-L342 WeakPolarHBondContact CA-O 3.36Å
316L93.6Very high92.5Very high0 Ų059.6 Ų59.60%027%0.274CS..EExtended strand (participates in β ladder)trans-130.7113.9175.7-164.463.8000110R325 V328 L341 L342 A343 A347 L351L316-R325 HydrophobicContact CD1-CB 3.81Å; L316-R325 HydrophobicContact CD1-CG 3.87Å; L316-V328 HydrophobicContact CD1-CG1 4.48Å; L316-L341 HydrophobicContact CB-CD1 4.02Å; L316-L342 PolarHBondContact N-O 3.22Å; L316-A343 HydrophobicContact CB-CB 4.36Å; L316-A343 WeakPolarHBondContact O-CA 3.43Å; L316-A347 HydrophobicContact CB-CB 4.41Å; L316-A347 WeakPolarHBondContact CD2-O 3.42Å; L316-A347 HydrophobicContact CG-CB 4.07Å; L316-A347 WeakPolarHBondContact O-CB 3.33Å; L316-L351 HydrophobicContact CD2-CD1 3.53Å
317R91.4Very high92.3Very high25 Ų2562.9 Ų62.99%0.09429%0.288CS..  trans-130.6148.7-178-51.7-179.6-54.9-131.13.5109.8Q294 V297 N319 M320Q294-R317 HydrophobicContact CB-CB 4.29Å; Q294-R317 HydrophobicContact CG-CB 4.23Å; Q294-R317 WeakPolarHBondContact O-CD 3.3Å; V297-R317 HydrophobicContact CB-CG 3.89Å; V297-R317 HydrophobicContact CG1-CG 3.53Å; R317-N319 VanDerWaalsContact C-N 3.27Å; R317-N319 PolarHBondContact O-N 3.17Å; R317-M320 HydrophobicContact CB-CG 4.15Å; R317-M320 HydrophobicContact CB-SD 4.07Å; R317-M320 HydrophobicContact CG-SD 4.32Å; R317-M320 PolarHBondContact N-SD 3.09Å; R317-M320 WeakPolarHBondContact O-CB 3.33Å; R317-M320 PolarHBondContact O-N 3.27Å
318G85.3Confident92.2Very high26 Ų2663.7 Ų63.727%0.26829%0.293SS..THydrogen-bonded Turntrans-61.5-30.4-176.800000114.7M320G318-M320 VanDerWaalsContact C-N 3.33Å; G318-M320 PolarHBondContact O-N 3.44Å
319N85.9Confident92Very high97 Ų9754.8 Ų54.852%0.51926%0.259SS..THydrogen-bonded Turntrans-84.62.8-17974.1-20.1000115.2Q294 R317Q294-N319 PolarHBondContact OE1-OD1 2.95Å; R317-N319 VanDerWaalsContact C-N 3.27Å; R317-N319 PolarHBondContact O-N 3.17Å
320M90.5Very high91.9Very high21 Ų2156.4 Ų56.410%0.10327%0.267CS..SBendtrans-74149176.1-70.5171.56400110.9Q315 R317 G318 Q322 K324 R325 V328Q315-M320 HydrophobicContact CG-SD 4.44Å; Q315-M320 WeakPolarHBondContact O-CE 3.36Å; R317-M320 HydrophobicContact CB-CG 4.15Å; R317-M320 HydrophobicContact CB-SD 4.07Å; R317-M320 HydrophobicContact CG-SD 4.32Å; R317-M320 PolarHBondContact N-SD 3.09Å; R317-M320 WeakPolarHBondContact O-CB 3.33Å; R317-M320 PolarHBondContact O-N 3.27Å; G318-M320 VanDerWaalsContact C-N 3.33Å; G318-M320 PolarHBondContact O-N 3.44Å; M320-Q322 PolarHBondContact O-N 3.26Å; M320-K324 HydrophobicContact CE-CD 4.25Å; M320-K324 HydrophobicContact CE-CG 3.97Å; M320-R325 HydrophobicContact CB-CG 3.55Å; M320-V328 HydrophobicContact CE-CG2 4.17Å
321N89.9Confident91.9Very high99 Ų9955.5 Ų55.553%0.52926%0.262SS..  trans-53.9136.5170178.9-65.2000110.1Q323 K324 R325N321-Q323 VanDerWaalsContact C-N 3.34Å; N321-Q323 PolarHBondContact O-N 3.08Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.41Å; N321-Q323 PolarHBondContact OD1-N 3.43Å; N321-K324 HydrophobicContact CB-CB 4.36Å; N321-K324 WeakPolarHBondContact O-CB 3.44Å; N321-K324 PolarHBondContact O-N 3.46Å; N321-K324 VanDerWaalsContact O-N 3.12Å; N321-R325 PolarHBondContact O-N 3Å
322Q88.9Confident91.8Very high12 Ų1255 Ų556%0.05626%0.259CS..Hα-helixtrans-60.6-39.1-172.7-168.359.848.400113.4E107 M320 K324 R325 F326E107-Q322 PolarHBondContact OE1-NE2 2.92Å; M320-Q322 PolarHBondContact O-N 3.26Å; Q322-K324 VanDerWaalsContact C-N 3.35Å; Q322-R325 WeakPolarHBondContact O-CB 3.47Å; Q322-R325 PolarHBondContact O-N 3.07Å; Q322-F326 HydrophobicContact CG-CD2 4.29Å; Q322-F326 HydrophobicContact CG-CE2 3.79Å; Q322-F326 HydrophobicContact CG-CZ 3.95Å; Q322-F326 VanDerWaalsContact NE2-CZ 3.29Å; Q322-F326 WeakPolarHBondContact O-CG 3.42Å; Q322-F326 PolarHBondContact O-N 3.01Å
323Q89.3Confident91.4Very high109 Ų10948.4 Ų48.451%0.50923%0.234SC..Hα-helixtrans-64.2-42.5176.9-69176-37.900110.8N321 R325 F326 Q327N321-Q323 VanDerWaalsContact C-N 3.34Å; N321-Q323 PolarHBondContact O-N 3.08Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.41Å; N321-Q323 PolarHBondContact OD1-N 3.43Å; Q323-R325 VanDerWaalsContact C-N 3.33Å; Q323-R325 PolarHBondContact O-N 3.27Å; Q323-F326 PolarHBondContact O-N 3.41Å; Q323-Q327 WeakPolarHBondContact O-CG 3.34Å; Q323-Q327 PolarHBondContact O-N 3.3Å
324K91.5Very high91.1Very high119 Ų11953.9 Ų53.952%0.51726%0.263SS..Hα-helixtrans-64-37.5175-170169.1-175.3165.50111.9M320 N321 Q322 Q327 V328M320-K324 HydrophobicContact CE-CD 4.25Å; M320-K324 HydrophobicContact CE-CG 3.97Å; N321-K324 HydrophobicContact CB-CB 4.36Å; N321-K324 WeakPolarHBondContact O-CB 3.44Å; N321-K324 PolarHBondContact O-N 3.46Å; N321-K324 VanDerWaalsContact O-N 3.12Å; Q322-K324 VanDerWaalsContact C-N 3.35Å; K324-Q327 PolarHBondContact O-N 2.84Å; K324-V328 WeakPolarHBondContact O-CG2 3.3Å; K324-V328 PolarHBondContact O-N 2.97Å
325R90.9Very high90.9Very high17 Ų1753.9 Ų53.96%0.06426%0.264CS..Hα-helixtrans-61-45.4173.6-70.6-173.867.2-167-8.5111.5E107 L316 M320 N321 Q322 Q323 V328 Y329 A347E107-R325 IonicContact OE1-CZ 3.42Å; E107-R325 IonicContact OE1-NE 3.22Å; E107-R325 PolarHBondContact OE1-NE 2.86Å; E107-R325 VanDerWaalsContact OE1-NE 3.13Å; E107-R325 IonicContact OE1-NH1 3.69Å; E107-R325 PolarHBondContact OE1-NH1 2.96Å; E107-R325 IonicContact OE1-NH2 3.78Å; E107-R325 PolarHBondContact OE1-NH2 3.31Å; E107-R325 IonicContact OE2-CZ 2.79Å; E107-R325 IonicContact OE2-NH1 3.69Å; E107-R325 IonicContact OE2-NH2 3.63Å; E107-R325 PolarHBondContact OE2-NH2 3.49Å; L316-R325 HydrophobicContact CD1-CB 3.81Å; L316-R325 HydrophobicContact CD1-CG 3.87Å; M320-R325 HydrophobicContact CB-CG 3.55Å; N321-R325 PolarHBondContact O-N 3Å; Q322-R325 WeakPolarHBondContact O-CB 3.47Å; Q322-R325 PolarHBondContact O-N 3.07Å; Q323-R325 VanDerWaalsContact C-N 3.33Å; Q323-R325 PolarHBondContact O-N 3.27Å; R325-V328 PolarHBondContact O-N 3.01Å; R325-Y329 WeakPolarHBondContact O-CB 3.4Å; R325-Y329 PolarHBondContact O-N 2.81Å; R325-A347 PolarHBondContact NH2-O 3.06Å
326F89.9Confident90.5Very high32 Ų3257 Ų5714%0.1429%0.286CS..Hα-helixtrans-63-43.3175.4-71.9-24.8000112.7E107 R110 M131 Q322 Q323 V328 Y329 D330E107-F326 HydrophobicContact CG-CD1 4.28Å; E107-F326 HydrophobicContact CG-CE1 4.04Å; R110-F326 HydrophobicContact CB-CE1 4.23Å; R110-F326 HydrophobicContact CB-CZ 4.3Å; R110-F326 VanDerWaalsContact CZ-CD1 3.48Å; R110-F326 VanDerWaalsContact NE-CD1 3.33Å; M131-F326 HydrophobicContact CE-CE2 4.5Å; M131-F326 HydrophobicContact CE-CZ 4.01Å; Q322-F326 HydrophobicContact CG-CD2 4.29Å; Q322-F326 HydrophobicContact CG-CE2 3.79Å; Q322-F326 HydrophobicContact CG-CZ 3.95Å; Q322-F326 VanDerWaalsContact NE2-CZ 3.29Å; Q322-F326 WeakPolarHBondContact O-CG 3.42Å; Q322-F326 PolarHBondContact O-N 3.01Å; Q323-F326 PolarHBondContact O-N 3.41Å; F326-V328 PolarHBondContact O-N 3.05Å; F326-Y329 WeakPolarHBondContact O-CB 3.49Å; F326-Y329 PolarHBondContact O-N 3.21Å; F326-D330 WeakPolarHBondContact O-CB 3.28Å; F326-D330 PolarHBondContact O-N 2.8Å; F326-D330 VanDerWaalsContact O-OD2 3.07Å
327Q92.5Very high90.3Very high123 Ų12362.6 Ų62.658%0.57531%0.312SS*.Hα-helixtrans-60.9-43.1174.9-71.4170.2-1.900112.5Q323 K324 Y329 D330 R331Q323-Q327 WeakPolarHBondContact O-CG 3.34Å; Q323-Q327 PolarHBondContact O-N 3.3Å; K324-Q327 PolarHBondContact O-N 2.84Å; Q327-Y329 VanDerWaalsContact C-N 3.35Å; Q327-D330 PolarHBondContact O-N 2.91Å; Q327-R331 WeakPolarHBondContact O-CB 3.38Å; Q327-R331 PolarHBondContact O-N 2.84Å
328V92.8Very high90.4Very high16 Ų1662 Ų6210%0.09731%0.314CS..Hα-helixtrans-65.1-41.5175.9171.30000111L314 Q315 L316 M320 K324 R325 F326 R331 F332 L341L314-V328 HydrophobicContact CB-CG1 4.11Å; Q315-V328 WeakPolarHBondContact O-CG1 3.35Å; L316-V328 HydrophobicContact CD1-CG1 4.48Å; M320-V328 HydrophobicContact CE-CG2 4.17Å; K324-V328 WeakPolarHBondContact O-CG2 3.3Å; K324-V328 PolarHBondContact O-N 2.97Å; R325-V328 PolarHBondContact O-N 3.01Å; F326-V328 PolarHBondContact O-N 3.05Å; V328-R331 PolarHBondContact O-N 3.06Å; V328-F332 WeakPolarHBondContact O-CB 3.25Å; V328-F332 PolarHBondContact O-N 3.27Å; V328-L341 HydrophobicContact CG1-CD1 3.97Å
329Y89.4Confident91Very high25 Ų2560.9 Ų60.910%0.09830%0.302CS..Hα-helixtrans-56.7-53.4174.3175.3-81.3000110.6R325 F326 Q327 R331 F332 A333 L351 D352 F353R325-Y329 WeakPolarHBondContact O-CB 3.4Å; R325-Y329 PolarHBondContact O-N 2.81Å; F326-Y329 WeakPolarHBondContact O-CB 3.49Å; F326-Y329 PolarHBondContact O-N 3.21Å; Q327-Y329 VanDerWaalsContact C-N 3.35Å; Y329-R331 VanDerWaalsContact C-N 3.32Å; Y329-R331 PolarHBondContact O-N 3.26Å; Y329-F332 PolarHBondContact O-N 3Å; Y329-A333 HydrophobicContact CE1-CB 4.26Å; Y329-A333 VanDerWaalsContact O-CB 3.29Å; Y329-A333 WeakPolarHBondContact O-CB 3.39Å; Y329-A333 PolarHBondContact O-N 3.19Å; Y329-L351 HydrophobicContact CD2-CD1 3.97Å; Y329-L351 HydrophobicContact CD2-CD2 3.87Å; Y329-L351 HydrophobicContact CD2-CG 4.37Å; Y329-L351 HydrophobicContact CE2-CB 4.09Å; Y329-L351 HydrophobicContact CE2-CD1 4.25Å; Y329-L351 HydrophobicContact CE2-CD2 3.71Å; Y329-L351 HydrophobicContact CE2-CG 4.22Å; Y329-D352 PolarHBondContact OH-O 2.96Å; Y329-F353 HydrophobicContact CD2-CD1 4.42Å; Y329-F353 AromaticContact CD2-CE1 3.33Å; Y329-F353 HydrophobicContact CD2-CE1 3.33Å; Y329-F353 AromaticContact CD2-CZ 3.51Å; Y329-F353 HydrophobicContact CD2-CZ 3.51Å; Y329-F353 HydrophobicContact CE2-CD1 4.06Å; Y329-F353 AromaticContact CE2-CE1 3.36Å; Y329-F353 HydrophobicContact CE2-CE1 3.36Å; Y329-F353 AromaticContact CE2-CZ 3.74Å; Y329-F353 HydrophobicContact CE2-CZ 3.74Å; Y329-F353 AromaticContact CG-CE1 3.95Å; Y329-F353 HydrophobicContact CG-CE1 3.95Å; Y329-F353 HydrophobicContact CG-CZ 4.37Å
330D90.4Very high91.5Very high60 Ų6056.3 Ų56.332%0.32128%0.277SS..Hα-helixtrans-63.9-41.3-176.8-64.1-30.8000110.2R110 F326 Q327 F332 A333 N334R110-D330 IonicContact CZ-OD1 2.91Å; R110-D330 IonicContact CZ-OD2 3.27Å; R110-D330 IonicContact NH1-OD1 3.16Å; R110-D330 IonicContact NH1-OD2 2.61Å; R110-D330 PolarHBondContact NH1-OD2 2.99Å; R110-D330 IonicContact NH2-OD1 3.72Å; R110-D330 PolarHBondContact NH2-OD1 3.49Å; R110-D330 IonicContact NH2-OD2 3.01Å; R110-D330 PolarHBondContact NH2-OD2 3.16Å; F326-D330 WeakPolarHBondContact O-CB 3.28Å; F326-D330 PolarHBondContact O-N 2.8Å; F326-D330 VanDerWaalsContact O-OD2 3.07Å; Q327-D330 PolarHBondContact O-N 2.91Å; D330-F332 PolarHBondContact O-N 3.34Å; D330-A333 PolarHBondContact O-N 3.13Å; D330-N334 VanDerWaalsContact O-CB 3.29Å; D330-N334 WeakPolarHBondContact O-CB 3.27Å; D330-N334 VanDerWaalsContact O-CG 3.23Å; D330-N334 PolarHBondContact O-N 3.36Å; D330-N334 PolarHBondContact O-ND2 3.3Å
331R93.9Very high91.9Very high170 Ų17055.3 Ų55.364%0.64227%0.273SS*.Hα-helixtrans-61.3-41.2175.4-174.4178.7-71.1-174.1-2.9112.7L314 Q327 V328 Y329 S335L314-R331 HydrophobicContact CD1-CG 4.2Å; L314-R331 HydrophobicContact CD2-CG 4.32Å; Q327-R331 WeakPolarHBondContact O-CB 3.38Å; Q327-R331 PolarHBondContact O-N 2.84Å; V328-R331 PolarHBondContact O-N 3.06Å; Y329-R331 VanDerWaalsContact C-N 3.32Å; Y329-R331 PolarHBondContact O-N 3.26Å; R331-S335 WeakPolarHBondContact O-CB 3.25Å; R331-S335 PolarHBondContact O-N 3.06Å
332F93.8Very high92.2Very high0 Ų050.6 Ų50.60%025%0.247CC..Hα-helixtrans-75.3-41.7177.3-173.1-112.9000111.8K286 I288 L314 V328 Y329 D330 N334 S335 L341 F353 V356K286-F332 HydrophobicContact CD-CE2 4.47Å; K286-F332 HydrophobicContact CD-CZ 4.25Å; K286-F332 WeakPolarHBondContact CE-O 3.34Å; K286-F332 HydrophobicContact CG-CE1 4.42Å; K286-F332 HydrophobicContact CG-CE2 3.71Å; K286-F332 HydrophobicContact CG-CZ 3.59Å; K286-F332 PolarHBondContact NZ-O 3.1Å; I288-F332 HydrophobicContact CD1-CE1 3.97Å; I288-F332 HydrophobicContact CD1-CZ 4.45Å; I288-F332 HydrophobicContact CG1-CE1 3.67Å; I288-F332 HydrophobicContact CG1-CZ 3.69Å; L314-F332 HydrophobicContact CD1-CB 3.71Å; L314-F332 HydrophobicContact CD1-CD2 4.01Å; L314-F332 HydrophobicContact CD1-CG 4.32Å; V328-F332 WeakPolarHBondContact O-CB 3.25Å; V328-F332 PolarHBondContact O-N 3.27Å; Y329-F332 PolarHBondContact O-N 3Å; D330-F332 PolarHBondContact O-N 3.34Å; F332-N334 VanDerWaalsContact C-N 3.32Å; F332-N334 PolarHBondContact O-N 3.36Å; F332-S335 PolarHBondContact O-N 3.46Å; F332-L341 HydrophobicContact CD1-CB 4.12Å; F332-L341 HydrophobicContact CD1-CD2 3.73Å; F332-L341 HydrophobicContact CD1-CG 4.49Å; F332-L341 HydrophobicContact CD2-CB 3.84Å; F332-L341 HydrophobicContact CE1-CB 4Å; F332-L341 HydrophobicContact CE1-CD2 4Å; F332-L341 HydrophobicContact CE2-CB 3.7Å; F332-L341 HydrophobicContact CG-CB 4.04Å; F332-L341 HydrophobicContact CG-CD2 4.16Å; F332-L341 HydrophobicContact CZ-CB 3.78Å; F332-F353 HydrophobicContact CB-CE1 4.37Å; F332-F353 HydrophobicContact CD1-CB 4.34Å; F332-F353 AromaticContact CD1-CD1 3.6Å; F332-F353 HydrophobicContact CD1-CD1 3.6Å; F332-F353 AromaticContact CD1-CD2 3.86Å; F332-F353 HydrophobicContact CD1-CD2 3.86Å; F332-F353 AromaticContact CD1-CE1 3.7Å; F332-F353 HydrophobicContact CD1-CE1 3.7Å; F332-F353 AromaticContact CD1-CE2 3.93Å; F332-F353 HydrophobicContact CD1-CE2 3.93Å; F332-F353 AromaticContact CD1-CG 3.66Å; F332-F353 HydrophobicContact CD1-CG 3.66Å; F332-F353 AromaticContact CD1-CZ 3.84Å; F332-F353 HydrophobicContact CD1-CZ 3.84Å; F332-F353 HydrophobicContact CE1-CB 4.13Å; F332-F353 HydrophobicContact CE1-CD1 4.22Å; F332-F353 AromaticContact CE1-CD2 3.82Å; F332-F353 HydrophobicContact CE1-CD2 3.82Å; F332-F353 HydrophobicContact CE1-CE2 4.2Å; F332-F353 AromaticContact CE1-CG 3.8Å; F332-F353 HydrophobicContact CE1-CG 3.8Å; F332-V356 HydrophobicContact CE1-CG2 4.34Å
333A89.4Confident92.5Very high16 Ų1650 Ų5013%0.13225%0.245CC..Hα-helixtrans-56.7-47.5177.300000111.1K286 Y329 D330 S335 F353K286-A333 PolarHBondContact NZ-O 3.48Å; Y329-A333 HydrophobicContact CE1-CB 4.26Å; Y329-A333 VanDerWaalsContact O-CB 3.29Å; Y329-A333 WeakPolarHBondContact O-CB 3.39Å; Y329-A333 PolarHBondContact O-N 3.19Å; D330-A333 PolarHBondContact O-N 3.13Å; A333-S335 VanDerWaalsContact C-N 3.3Å; A333-S335 PolarHBondContact O-N 2.82Å; A333-F353 HydrophobicContact CB-CD1 4.07Å; A333-F353 HydrophobicContact CB-CE1 4.38Å
334N91.5Very high92.6Very high133 Ų13345.1 Ų45.171%0.71122%0.222SC*.THydrogen-bonded Turntrans-78.5-8.7-178.8-63.9-19.4000114D330 F332 P336D330-N334 VanDerWaalsContact O-CB 3.29Å; D330-N334 WeakPolarHBondContact O-CB 3.27Å; D330-N334 VanDerWaalsContact O-CG 3.23Å; D330-N334 PolarHBondContact O-N 3.36Å; D330-N334 PolarHBondContact O-ND2 3.3Å; F332-N334 VanDerWaalsContact C-N 3.32Å; F332-N334 PolarHBondContact O-N 3.36Å; N334-P336 VanDerWaalsContact O-CD 3.31Å; N334-P336 WeakPolarHBondContact O-CD 3.31Å
335S91.8Very high92.1Very high13 Ų1340.4 Ų40.49%0.09120%0.203CC..  trans-77.2119.4174.8178.60000110K286 R331 F332 A333 H337 S339K286-S335 WeakPolarHBondContact CD-O 3.14Å; K286-S335 VanDerWaalsContact CE-O 3.32Å; K286-S335 WeakPolarHBondContact CE-O 3.32Å; K286-S335 PolarHBondContact NZ-O 3.24Å; R331-S335 WeakPolarHBondContact O-CB 3.25Å; R331-S335 PolarHBondContact O-N 3.06Å; F332-S335 PolarHBondContact O-N 3.46Å; A333-S335 VanDerWaalsContact C-N 3.3Å; A333-S335 PolarHBondContact O-N 2.82Å; S335-H337 PolarHBondContact OG-O 2.99Å; S335-S339 WeakPolarHBondContact CB-OG 3.26Å; S335-S339 WeakPolarHBondContact OG-CB 3.34Å; S335-S339 PolarHBondContact OG-OG 3.38Å
336P87.8Confident91.1Very high83 Ų8343.7 Ų43.754%0.53922%0.221SC..  trans-74.7-36.1-17928.3-33.9000112N334N334-P336 VanDerWaalsContact O-CD 3.31Å; N334-P336 WeakPolarHBondContact O-CD 3.31Å
337H90.6Very high89.9Confident119 Ų11942.2 Ų42.255%0.55122%0.215SC*.SBendtrans-162171.3-175.151.2-105.2000111.2K284 S335 S339K284-H337 WeakPolarHBondContact O-CB 3.46Å; S335-H337 PolarHBondContact OG-O 2.99Å; H337-S339 PolarHBondContact O-N 2.88Å
338G93.4Very high88.6Confident13 Ų1336.6 Ų36.613%0.13419%0.188CC..SBendtrans62.835.8176.500000115.4C283 K284 K285 K312C283-G338 VanDerWaalsContact O-CA 3.24Å; C283-G338 WeakPolarHBondContact O-CA 3.43Å; K284-G338 PolarHBondContact O-N 3.36Å; K285-G338 PolarHBondContact O-N 3.25Å; K312-G338 PolarHBondContact N-O 2.87Å
339S96.5Very high87.5Confident1 Ų137.4 Ų37.41%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-134.4141.3-179.955.30000112.2K285 K286 I287 K312 S335 H337K285-S339 PolarHBondContact O-N 3.04Å; K286-S339 CarbonylContact C-O 3.58Å; K286-S339 WeakPolarHBondContact CA-O 3.47Å; I287-S339 PolarHBondContact N-O 3.25Å; K312-S339 CarbonylContact O-C 3.53Å; K312-S339 WeakPolarHBondContact O-CA 3.46Å; S335-S339 WeakPolarHBondContact CB-OG 3.26Å; S335-S339 WeakPolarHBondContact OG-CB 3.34Å; S335-S339 PolarHBondContact OG-OG 3.38Å; H337-S339 PolarHBondContact O-N 2.88Å
340V97.8Very high86.2Confident1 Ų136.4 Ų36.41%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-125.1119.8-178.5-178.40000109.1L279 I287 V289 F311 K312 L314 L342L279-V340 HydrophobicContact CD1-CG1 4.07Å; L279-V340 HydrophobicContact CD2-CG1 3.95Å; L279-V340 HydrophobicContact CD2-CG2 4Å; I287-V340 HydrophobicContact CB-CG2 4.2Å; I287-V340 HydrophobicContact CG1-CG2 4.49Å; I287-V340 CarbonylContact O-C 3.5Å; I287-V340 VanDerWaalsContact O-CA 3.32Å; I287-V340 WeakPolarHBondContact O-CA 3.16Å; V289-V340 HydrophobicContact CG2-CG1 3.76Å; F311-V340 HydrophobicContact CB-CG2 4.32Å; F311-V340 HydrophobicContact CD1-CG2 4.47Å; F311-V340 HydrophobicContact CD2-CB 3.82Å; F311-V340 HydrophobicContact CD2-CG2 3.27Å; F311-V340 HydrophobicContact CE2-CB 3.95Å; F311-V340 HydrophobicContact CE2-CG2 3.59Å; F311-V340 HydrophobicContact CG-CG2 3.78Å; F311-V340 HydrophobicContact CZ-CG2 4.33Å; K312-V340 PolarHBondContact O-N 3.45Å; L314-V340 PolarHBondContact N-O 3.45Å; V340-L342 HydrophobicContact CG1-CD2 3.75Å
341L97.3Very high85.2Confident1 Ų133.6 Ų33.61%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-100.9112.3174.5-178.164.9000110.2I287 I288 V289 L314 L316 V328 F332 F353I287-L341 PolarHBondContact O-N 3.41Å; I288-L341 CarbonylContact C-O 3.21Å; I288-L341 WeakPolarHBondContact CA-O 3.28Å; I288-L341 HydrophobicContact CG1-CB 4.46Å; V289-L341 PolarHBondContact N-O 3.25Å; L314-L341 HydrophobicContact CB-CD1 3.82Å; L316-L341 HydrophobicContact CB-CD1 4.02Å; V328-L341 HydrophobicContact CG1-CD1 3.97Å; F332-L341 HydrophobicContact CD1-CB 4.12Å; F332-L341 HydrophobicContact CD1-CD2 3.73Å; F332-L341 HydrophobicContact CD1-CG 4.49Å; F332-L341 HydrophobicContact CD2-CB 3.84Å; F332-L341 HydrophobicContact CE1-CB 4Å; F332-L341 HydrophobicContact CE1-CD2 4Å; F332-L341 HydrophobicContact CE2-CB 3.7Å; F332-L341 HydrophobicContact CG-CB 4.04Å; F332-L341 HydrophobicContact CG-CD2 4.16Å; F332-L341 HydrophobicContact CZ-CB 3.78Å; L341-F353 HydrophobicContact CD2-CE2 3.67Å; L341-F353 HydrophobicContact CD2-CZ 3.85Å
342L97.8Very high84.1Confident0 Ų028.5 Ų28.50%016%0.158CC..EExtended strand (participates in β ladder)trans-85.9122.4170.8-49.4-170.4000109.5V289 F291 V297 A300 I313 L314 Q315 L316 V340V289-L342 HydrophobicContact CB-CD2 3.73Å; V289-L342 HydrophobicContact CG1-CD2 4.37Å; V289-L342 HydrophobicContact CG2-CD2 3.8Å; F291-L342 HydrophobicContact CD2-CB 4.49Å; F291-L342 HydrophobicContact CE2-CB 4.03Å; F291-L342 HydrophobicContact CE2-CD1 4.28Å; F291-L342 HydrophobicContact CE2-CD2 3.99Å; F291-L342 HydrophobicContact CE2-CG 4.31Å; V297-L342 HydrophobicContact CG1-CB 3.87Å; V297-L342 WeakPolarHBondContact CG1-O 3.45Å; A300-L342 HydrophobicContact CB-CD1 3.82Å; I313-L342 HydrophobicContact CD1-CD1 3.92Å; I313-L342 HydrophobicContact CD1-CG 4.32Å; I313-L342 HydrophobicContact CG1-CD1 4.36Å; I313-L342 HydrophobicContact CG1-CG 4.28Å; L314-L342 PolarHBondContact O-N 2.93Å; Q315-L342 CarbonylContact C-O 3.54Å; Q315-L342 VanDerWaalsContact CA-O 3.24Å; Q315-L342 WeakPolarHBondContact CA-O 3.36Å; L316-L342 PolarHBondContact N-O 3.22Å; V340-L342 HydrophobicContact CG1-CD2 3.75Å
343A95.3Very high83.6Confident0 Ų028.5 Ų28.50%016%0.158CC..EExtended strand (participates in β ladder)trans-143.1160.3-174.700000113.2V289 F290 F291 L316 E348V289-A343 PolarHBondContact O-N 3.45Å; F290-A343 CarbonylContact C-O 3.54Å; F290-A343 WeakPolarHBondContact CA-O 3.36Å; F291-A343 PolarHBondContact N-O 3.22Å; L316-A343 HydrophobicContact CB-CB 4.36Å; L316-A343 WeakPolarHBondContact O-CA 3.43Å; A343-E348 HydrophobicContact CB-CB 4.11Å; A343-E348 HydrophobicContact CB-CG 4.33Å
344T91.3Very high83.1Confident6 Ų630.8 Ų30.84%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-99.9157.4163.556.50000109.8T293 Q294 V297 L346 A347 E348T293-T344 VanDerWaalsContact C-CG2 3.4Å; Q294-T344 HydrophobicContact CB-CG2 4.38Å; Q294-T344 HydrophobicContact CG-CG2 3.84Å; V297-T344 HydrophobicContact CG2-CG2 3.77Å; T344-L346 VanDerWaalsContact C-N 3.34Å; T344-L346 PolarHBondContact O-N 3.44Å; T344-A347 WeakPolarHBondContact O-CB 3.41Å; T344-A347 PolarHBondContact O-N 2.95Å; T344-A347 WeakPolarHBondContact OG1-CB 3.32Å; T344-E348 PolarHBondContact O-N 2.92Å
345N80.1Confident82.7Confident20 Ų2028.9 Ų28.911%0.10716%0.161CC..Hα-helixtrans-44.5-57.7176.9-68.63.2000112A347 E348 R349 D370 R374N345-A347 PolarHBondContact O-N 3.31Å; N345-E348 PolarHBondContact O-N 2.9Å; N345-R349 WeakPolarHBondContact O-CG 3.44Å; N345-R349 PolarHBondContact O-N 3.21Å; N345-D370 PolarHBondContact ND2-OD2 2.77Å; N345-R374 VanDerWaalsContact CG-NH2 3.29Å; N345-R374 PolarHBondContact ND2-NE 3.43Å; N345-R374 PolarHBondContact ND2-NH2 3.16Å; N345-R374 PolarHBondContact OD1-NE 2.72Å; N345-R374 PolarHBondContact OD1-NH2 3.45Å
346L70.2Confident82.7Confident86 Ų8628.7 Ų28.745%0.4516%0.159SC..Hα-helixtrans-55.4-31.7-177.4-175.863.5000113.7T344T344-L346 VanDerWaalsContact C-N 3.34Å; T344-L346 PolarHBondContact O-N 3.44Å
347A63.9Low83Confident1 Ų127.4 Ų27.41%0.00815%0.146CC..Hα-helixtrans-79.9-21.6-17600000112.7L316 R325 T344 N345L316-A347 HydrophobicContact CB-CB 4.41Å; L316-A347 WeakPolarHBondContact CD2-O 3.42Å; L316-A347 HydrophobicContact CG-CB 4.07Å; L316-A347 WeakPolarHBondContact O-CB 3.33Å; R325-A347 PolarHBondContact NH2-O 3.06Å; T344-A347 WeakPolarHBondContact O-CB 3.41Å; T344-A347 PolarHBondContact O-N 2.95Å; T344-A347 WeakPolarHBondContact OG1-CB 3.32Å; N345-A347 PolarHBondContact O-N 3.31Å
348E64.9Low83.2Confident4 Ų422.9 Ų22.92%0.01912%0.124CC..Hα-helixtrans-115.5-6.2-171.6-155-79.6155.500113.2I288 F290 A343 T344 N345 G350 L351 F353 R377I288-E348 HydrophobicContact CG2-CG 4.43Å; F290-E348 HydrophobicContact CE1-CB 3.78Å; F290-E348 HydrophobicContact CE1-CG 3.88Å; F290-E348 WeakPolarHBondContact CE1-OE2 3.34Å; F290-E348 HydrophobicContact CZ-CB 4.39Å; F290-E348 HydrophobicContact CZ-CG 4.02Å; F290-E348 WeakPolarHBondContact CZ-OE2 3.34Å; A343-E348 HydrophobicContact CB-CB 4.11Å; A343-E348 HydrophobicContact CB-CG 4.33Å; T344-E348 PolarHBondContact O-N 2.92Å; N345-E348 PolarHBondContact O-N 2.9Å; E348-G350 PolarHBondContact O-N 3.25Å; E348-L351 HydrophobicContact CB-CD1 4.28Å; E348-L351 HydrophobicContact CG-CD1 4.05Å; E348-L351 WeakPolarHBondContact O-CB 3.43Å; E348-L351 WeakPolarHBondContact O-CG 3.37Å; E348-L351 PolarHBondContact O-N 3.19Å; E348-F353 HydrophobicContact CG-CE2 4.31Å; E348-R377 WeakPolarHBondContact OE1-CD 3.28Å; E348-R377 VanDerWaalsContact OE1-CG 3.28Å; E348-R377 WeakPolarHBondContact OE1-CG 3.25Å; E348-R377 WeakPolarHBondContact OE2-CD 3.5Å; E348-R377 WeakPolarHBondContact OE2-CG 3.5Å; E348-R377 IonicContact OE2-NE 2.99Å
349R70.1Confident83.3Confident33 Ų3322.3 Ų22.313%0.12512%0.118CC..THydrogen-bonded Turntrans-55.3130.9178.8-65-167.3-179.5157.4-10.1111.8T105 D187 N345 L351T105-R349 HydrophobicContact CG2-CB 3.75Å; T105-R349 WeakPolarHBondContact CG2-O 3.38Å; T105-R349 PolarHBondContact OG1-O 3.38Å; D187-R349 IonicContact OD2-CZ 2.96Å; D187-R349 VanDerWaalsContact OD2-CZ 3.27Å; D187-R349 IonicContact OD2-NH1 3.97Å; D187-R349 PolarHBondContact OD2-NH1 2.88Å; D187-R349 IonicContact OD2-NH2 3.84Å; D187-R349 PolarHBondContact OD2-NH2 2.87Å; N345-R349 WeakPolarHBondContact O-CG 3.44Å; N345-R349 PolarHBondContact O-N 3.21Å; R349-L351 PolarHBondContact O-N 3.16Å
350G62.4Low83.4Confident5 Ų522.2 Ų22.25%0.05212%0.117CC..THydrogen-bonded Turntrans76.3-3177.700000114.6L108 E348 D352L108-G350 WeakPolarHBondContact CD1-O 3Å; E348-G350 PolarHBondContact O-N 3.25Å; G350-D352 PolarHBondContact O-N 2.72Å
351L70.3Confident83.3Confident0 Ų022.2 Ų22.20%012%0.117CC..  trans-71.8130.4-176.9-59.3-170.6000111.9E107 L316 Y329 E348 R349 F353 R377E107-L351 HydrophobicContact CB-CD2 3.08Å; E107-L351 HydrophobicContact CB-CG 4.48Å; E107-L351 HydrophobicContact CG-CD2 3.83Å; L316-L351 HydrophobicContact CD2-CD1 3.53Å; Y329-L351 HydrophobicContact CD2-CD1 3.97Å; Y329-L351 HydrophobicContact CD2-CD2 3.87Å; Y329-L351 HydrophobicContact CD2-CG 4.37Å; Y329-L351 HydrophobicContact CE2-CB 4.09Å; Y329-L351 HydrophobicContact CE2-CD1 4.25Å; Y329-L351 HydrophobicContact CE2-CD2 3.71Å; Y329-L351 HydrophobicContact CE2-CG 4.22Å; E348-L351 HydrophobicContact CB-CD1 4.28Å; E348-L351 HydrophobicContact CG-CD1 4.05Å; E348-L351 WeakPolarHBondContact O-CB 3.43Å; E348-L351 WeakPolarHBondContact O-CG 3.37Å; E348-L351 PolarHBondContact O-N 3.19Å; R349-L351 PolarHBondContact O-N 3.16Å; L351-F353 HydrophobicContact CB-CD2 4.14Å; L351-F353 HydrophobicContact CB-CE2 3.7Å; L351-F353 HydrophobicContact CB-CZ 4.09Å; L351-F353 HydrophobicContact CD1-CE2 3.62Å; L351-F353 HydrophobicContact CD1-CZ 3.56Å; L351-F353 HydrophobicContact CG-CE2 4.31Å; L351-F353 HydrophobicContact CG-CZ 4.42Å; L351-R377 WeakPolarHBondContact O-CD 3.28Å; L351-R377 PolarHBondContact O-NH1 3.15Å
352D71Confident83.4Confident63 Ų6322.6 Ų22.634%0.33712%0.119SC..  trans-103.993.9174.6-168.98.1000111.2Q111 Y329 G350 R380Q111-D352 VanDerWaalsContact CD-CB 3.44Å; Q111-D352 PolarHBondContact NE2-OD2 2.9Å; Q111-D352 VanDerWaalsContact OE1-CB 3.25Å; Q111-D352 VanDerWaalsContact OE1-N 3.14Å; Y329-D352 PolarHBondContact OH-O 2.96Å; G350-D352 PolarHBondContact O-N 2.72Å; D352-R380 IonicContact OD1-CZ 3.86Å; D352-R380 IonicContact OD1-NH1 3.18Å; D352-R380 PolarHBondContact OD1-NH1 2.78Å
353F81.3Confident83.3Confident1 Ų122.8 Ų22.80%0.00412%0.12CC..  trans-94.8127.9173.5-63.8-59.8000110.9I288 Y329 F332 A333 L341 E348 L351 V356 R380I288-F353 HydrophobicContact CD1-CD2 3.74Å; I288-F353 HydrophobicContact CD1-CE2 4.33Å; Y329-F353 HydrophobicContact CD2-CD1 4.42Å; Y329-F353 AromaticContact CD2-CE1 3.33Å; Y329-F353 HydrophobicContact CD2-CE1 3.33Å; Y329-F353 AromaticContact CD2-CZ 3.51Å; Y329-F353 HydrophobicContact CD2-CZ 3.51Å; Y329-F353 HydrophobicContact CE2-CD1 4.06Å; Y329-F353 AromaticContact CE2-CE1 3.36Å; Y329-F353 HydrophobicContact CE2-CE1 3.36Å; Y329-F353 AromaticContact CE2-CZ 3.74Å; Y329-F353 HydrophobicContact CE2-CZ 3.74Å; Y329-F353 AromaticContact CG-CE1 3.95Å; Y329-F353 HydrophobicContact CG-CE1 3.95Å; Y329-F353 HydrophobicContact CG-CZ 4.37Å; F332-F353 HydrophobicContact CB-CE1 4.37Å; F332-F353 HydrophobicContact CD1-CB 4.34Å; F332-F353 AromaticContact CD1-CD1 3.6Å; F332-F353 HydrophobicContact CD1-CD1 3.6Å; F332-F353 AromaticContact CD1-CD2 3.86Å; F332-F353 HydrophobicContact CD1-CD2 3.86Å; F332-F353 AromaticContact CD1-CE1 3.7Å; F332-F353 HydrophobicContact CD1-CE1 3.7Å; F332-F353 AromaticContact CD1-CE2 3.93Å; F332-F353 HydrophobicContact CD1-CE2 3.93Å; F332-F353 AromaticContact CD1-CG 3.66Å; F332-F353 HydrophobicContact CD1-CG 3.66Å; F332-F353 AromaticContact CD1-CZ 3.84Å; F332-F353 HydrophobicContact CD1-CZ 3.84Å; F332-F353 HydrophobicContact CE1-CB 4.13Å; F332-F353 HydrophobicContact CE1-CD1 4.22Å; F332-F353 AromaticContact CE1-CD2 3.82Å; F332-F353 HydrophobicContact CE1-CD2 3.82Å; F332-F353 HydrophobicContact CE1-CE2 4.2Å; F332-F353 AromaticContact CE1-CG 3.8Å; F332-F353 HydrophobicContact CE1-CG 3.8Å; A333-F353 HydrophobicContact CB-CD1 4.07Å; A333-F353 HydrophobicContact CB-CE1 4.38Å; L341-F353 HydrophobicContact CD2-CE2 3.67Å; L341-F353 HydrophobicContact CD2-CZ 3.85Å; E348-F353 HydrophobicContact CG-CE2 4.31Å; L351-F353 HydrophobicContact CB-CD2 4.14Å; L351-F353 HydrophobicContact CB-CE2 3.7Å; L351-F353 HydrophobicContact CB-CZ 4.09Å; L351-F353 HydrophobicContact CD1-CE2 3.62Å; L351-F353 HydrophobicContact CD1-CZ 3.56Å; L351-F353 HydrophobicContact CG-CE2 4.31Å; L351-F353 HydrophobicContact CG-CZ 4.42Å; F353-V356 HydrophobicContact CB-CG2 3.6Å; F353-R380 PolarHBondContact O-NH1 2.94Å
354P80.3Confident83.1Confident64 Ų6422.9 Ų22.942%0.41612%0.121SC..THydrogen-bonded Turntrans-72.414517429.5-33.6000110.7K286 V356K286-P354 PolarHBondContact NZ-O 3.39Å; P354-V356 VanDerWaalsContact C-N 3.33Å; P354-V356 PolarHBondContact O-N 3Å
355N83.6Confident83Confident93 Ų9322.7 Ų22.750%0.49712%0.119SC..THydrogen-bonded Turntrans57.736166.8-53.9-26.6000115.1H357N355-H357 PolarHBondContact O-CE1 3.31Å; N355-H357 PolarHBondContact O-N 3.02Å; N355-H357 PolarHBondContact O-ND1 3.25Å; N355-H357 VanDerWaalsContact O-ND1 3.12Å
356V91.5Very high83Confident9 Ų923.6 Ų23.66%0.05512%0.123CC..  trans-69.6121.4169.7-179.60000108.6I288 F332 F353 P354 W358 V359 R377 T378I288-V356 HydrophobicContact CD1-CG1 4.01Å; I288-V356 HydrophobicContact CD1-CG2 3.85Å; I288-V356 HydrophobicContact CG1-CG1 3.95Å; I288-V356 HydrophobicContact CG1-CG2 4.33Å; F332-V356 HydrophobicContact CE1-CG2 4.34Å; F353-V356 HydrophobicContact CB-CG2 3.6Å; P354-V356 VanDerWaalsContact C-N 3.33Å; P354-V356 PolarHBondContact O-N 3Å; V356-W358 WeakPolarHBondContact CG1-O 3.48Å; V356-V359 HydrophobicContact CG1-CG2 4.24Å; V356-R377 WeakPolarHBondContact CB-O 3.2Å; V356-T378 WeakPolarHBondContact O-CB 3.36Å; V356-T378 PolarHBondContact O-OG1 3.4Å
357H93.7Very high83.5Confident55 Ų5522.1 Ų22.126%0.25511%0.113SC..  trans-87.3-37.7-176.3-6282.9000112.1K285 K286 N355 R386K285-H357 HydrophobicContact CB-CB 4.09Å; K285-H357 HydrophobicContact CD-CB 4.3Å; K286-H357 WeakPolarHBondContact CB-ND1 3.46Å; K286-H357 PolarHBondContact N-ND1 2.93Å; K286-H357 VanDerWaalsContact N-ND1 3.18Å; K286-H357 WeakPolarHBondContact O-CB 3.09Å; K286-H357 PolarHBondContact O-N 2.8Å; N355-H357 PolarHBondContact O-CE1 3.31Å; N355-H357 PolarHBondContact O-N 3.02Å; N355-H357 PolarHBondContact O-ND1 3.25Å; N355-H357 VanDerWaalsContact O-ND1 3.12Å; H357-R386 PolarHBondContact O-N 2.85Å; H357-R386 VanDerWaalsContact O-N 3.16Å
358W95.6Very high84.3Confident25 Ų2522.5 Ų22.510%0.09512%0.115CC..EExtended strand (participates in β ladder)trans-134.6137.5-177.2-7896.4000112Y262 F278 H282 K286 I287 I288 V356 R386 I388Y262-W358 HydrophobicContact CD2-CH2 4.24Å; Y262-W358 HydrophobicContact CD2-CZ3 4.15Å; Y262-W358 HydrophobicContact CE2-CH2 4.27Å; F278-W358 HydrophobicContact CE2-CE3 4.35Å; F278-W358 HydrophobicContact CE2-CH2 4.27Å; F278-W358 HydrophobicContact CE2-CZ2 4.47Å; F278-W358 HydrophobicContact CE2-CZ3 4.21Å; F278-W358 AromaticContact CZ-CD2 3.67Å; F278-W358 HydrophobicContact CZ-CD2 3.67Å; F278-W358 AromaticContact CZ-CE3 3.63Å; F278-W358 HydrophobicContact CZ-CE3 3.63Å; F278-W358 HydrophobicContact CZ-CG 4.14Å; F278-W358 HydrophobicContact CZ-CH2 4.28Å; F278-W358 HydrophobicContact CZ-CZ2 4.31Å; F278-W358 AromaticContact CZ-CZ3 3.94Å; F278-W358 HydrophobicContact CZ-CZ3 3.94Å; H282-W358 AromaticContact CD2-CE2 3.95Å; H282-W358 AromaticContact CD2-NE1 3.39Å; H282-W358 PolarHBondContact CD2-NE1 2.95Å; H282-W358 AromaticContact NE2-CE2 3.94Å; H282-W358 AromaticContact NE2-CZ2 3.76Å; H282-W358 AromaticContact NE2-NE1 3.83Å; K286-W358 PolarHBondContact O-N 2.96Å; I287-W358 VanDerWaalsContact CA-O 3.32Å; I287-W358 WeakPolarHBondContact CA-O 3.47Å; I287-W358 HydrophobicContact CB-CB 4.36Å; I287-W358 HydrophobicContact CD1-CB 4.44Å; I287-W358 HydrophobicContact CG1-CB 4.06Å; I287-W358 HydrophobicContact CG2-CB 3.91Å; I288-W358 PolarHBondContact N-O 3.16Å; V356-W358 WeakPolarHBondContact CG1-O 3.48Å; W358-R386 CarbonylContact C-O 3.58Å; W358-R386 VanDerWaalsContact CA-O 3.25Å; W358-R386 WeakPolarHBondContact CA-O 3.12Å; W358-R386 HydrophobicContact CD2-CB 3.53Å; W358-R386 HydrophobicContact CE3-CB 3.38Å; W358-R386 HydrophobicContact CG-CB 4.33Å; W358-R386 HydrophobicContact CH2-CB 3.74Å; W358-R386 HydrophobicContact CH2-CG 4.28Å; W358-R386 HydrophobicContact CZ2-CB 3.87Å; W358-R386 HydrophobicContact CZ2-CG 4.17Å; W358-R386 HydrophobicContact CZ3-CB 3.49Å; W358-R386 VanDerWaalsContact CZ3-CB 3.49Å; W358-R386 HydrophobicContact CZ3-CG 4.49Å; W358-I388 HydrophobicContact CE3-CG2 4.39Å; W358-I388 HydrophobicContact CZ3-CB 4.23Å; W358-I388 HydrophobicContact CZ3-CG2 4.31Å
359V95.1Very high84.8Confident0 Ų024.9 Ų24.90%013%0.126CC..EExtended strand (participates in β ladder)trans-112.3117163.3170.50000108.5I288 F290 V356 Q361 R377 T378 R386 S387 I388I288-V359 CarbonylContact O-C 3.6Å; I288-V359 WeakPolarHBondContact O-CA 3.41Å; F290-V359 HydrophobicContact CD2-CG1 3.75Å; F290-V359 HydrophobicContact CE2-CG1 3.57Å; V356-V359 HydrophobicContact CG1-CG2 4.24Å; V359-Q361 HydrophobicContact CG1-CG 4.21Å; V359-R377 HydrophobicContact CG2-CB 4.01Å; V359-T378 HydrophobicContact CB-CG2 4.22Å; V359-T378 HydrophobicContact CG2-CG2 3.7Å; V359-R386 PolarHBondContact N-O 3.37Å; V359-S387 CarbonylContact O-C 3.53Å; V359-S387 WeakPolarHBondContact O-CA 3.35Å; V359-I388 PolarHBondContact O-N 3.12Å
360V97.5Very high85.4Confident0 Ų023.6 Ų23.60%012%0.122CC..EExtended strand (participates in β ladder)trans-101.7117.9173.6-177.60000108L275 F278 I287 I288 V289 F290 F362 I388 F390L275-V360 HydrophobicContact CD1-CG1 3.89Å; F278-V360 HydrophobicContact CD1-CG2 3.79Å; F278-V360 HydrophobicContact CE1-CG2 3.33Å; F278-V360 HydrophobicContact CZ-CG2 4.11Å; I287-V360 HydrophobicContact CG2-CG2 3.85Å; I288-V360 PolarHBondContact O-N 3.33Å; V289-V360 CarbonylContact C-O 3.48Å; V289-V360 VanDerWaalsContact CA-O 3.27Å; V289-V360 WeakPolarHBondContact CA-O 3.37Å; V289-V360 HydrophobicContact CB-CB 4.44Å; V289-V360 HydrophobicContact CG1-CB 4.18Å; V289-V360 HydrophobicContact CG1-CG1 4.21Å; V289-V360 HydrophobicContact CG2-CB 4.16Å; F290-V360 PolarHBondContact N-O 3.38Å; V360-F362 PolarHBondContact O-N 3Å; V360-I388 HydrophobicContact CB-CG2 4.25Å; V360-I388 HydrophobicContact CG1-CG2 4.11Å; V360-I388 HydrophobicContact CG2-CG2 3.88Å; V360-F390 HydrophobicContact CG1-CE2 4.32Å; V360-F390 HydrophobicContact CG1-CZ 4.27Å
361Q97Very high86.6Confident0 Ų023.3 Ų23.30%012%0.119CC..EExtended strand (participates in β ladder)trans-9391.5170.9-58.1-17973.700107.1F290 V359 D363 R374 I388 L389 F390F290-Q361 HydrophobicContact CD2-CG 4.49Å; V359-Q361 HydrophobicContact CG1-CG 4.21Å; Q361-D363 VanDerWaalsContact C-N 3.34Å; Q361-R374 HydrophobicContact CG-CB 4.4Å; Q361-I388 PolarHBondContact N-O 3.01Å; Q361-L389 HydrophobicContact CB-CB 4.45Å; Q361-L389 HydrophobicContact CB-CD1 3.56Å; Q361-F390 PolarHBondContact O-N 2.89Å
362F98Very high87.1Confident9 Ų924 Ų244%0.03912%0.123CC..  trans-64.2-42.5-178179.8-91.6000110.4K271 L272 L275 V289 F290 F291 V360 F390K271-F362 HydrophobicContact CB-CE1 4.36Å; K271-F362 HydrophobicContact CB-CE2 3.6Å; K271-F362 HydrophobicContact CB-CZ 3.48Å; K271-F362 VanDerWaalsContact CB-CZ 3.48Å; K271-F362 HydrophobicContact CD-CZ 4.39Å; K271-F362 WeakPolarHBondContact CE-O 3.11Å; K271-F362 PolarHBondContact NZ-O 2.98Å; K271-F362 WeakPolarHBondContact O-CE2 3.28Å; L272-F362 HydrophobicContact CD2-CE2 3.84Å; L272-F362 HydrophobicContact CD2-CZ 3.75Å; L272-F362 HydrophobicContact CG-CE2 4.35Å; L272-F362 HydrophobicContact CG-CZ 4.03Å; L275-F362 HydrophobicContact CB-CD2 4.06Å; L275-F362 HydrophobicContact CB-CE2 4.05Å; L275-F362 HydrophobicContact CD2-CD2 3.74Å; L275-F362 HydrophobicContact CD2-CE2 4.03Å; L275-F362 HydrophobicContact CG-CD2 4.33Å; V289-F362 HydrophobicContact CG1-CB 3.92Å; F290-F362 WeakPolarHBondContact O-CA 3.33Å; F290-F362 VanDerWaalsContact O-CB 3.28Å; F290-F362 WeakPolarHBondContact O-CB 3.34Å; F290-F362 PolarHBondContact O-N 3.34Å; F291-F362 HydrophobicContact CD1-CB 4.22Å; F291-F362 AromaticContact CD1-CD1 3.37Å; F291-F362 HydrophobicContact CD1-CD1 3.37Å; F291-F362 AromaticContact CD1-CE1 3.85Å; F291-F362 HydrophobicContact CD1-CE1 3.85Å; F291-F362 AromaticContact CD1-CG 3.87Å; F291-F362 HydrophobicContact CD1-CG 3.87Å; F291-F362 HydrophobicContact CE1-CB 4.17Å; F291-F362 AromaticContact CE1-CD1 3.43Å; F291-F362 HydrophobicContact CE1-CD1 3.43Å; F291-F362 VanDerWaalsContact CE1-CD1 3.43Å; F291-F362 HydrophobicContact CE1-CD2 4.04Å; F291-F362 AromaticContact CE1-CE1 3.71Å; F291-F362 HydrophobicContact CE1-CE1 3.71Å; F291-F362 HydrophobicContact CE1-CE2 4.23Å; F291-F362 AromaticContact CE1-CG 3.61Å; F291-F362 HydrophobicContact CE1-CG 3.61Å; F291-F362 HydrophobicContact CE1-CZ 4.09Å; F291-F362 HydrophobicContact CG-CD1 4.33Å; F291-F362 HydrophobicContact CZ-CB 4.43Å; F291-F362 HydrophobicContact CZ-CD1 4.41Å; F291-F362 HydrophobicContact CZ-CD2 4.41Å; F291-F362 HydrophobicContact CZ-CG 4.18Å; V360-F362 PolarHBondContact O-N 3Å; F362-F390 HydrophobicContact CD2-CD2 4.1Å; F362-F390 HydrophobicContact CD2-CE2 4.42Å
363D95.8Very high87.5Confident4 Ų421.8 Ų21.82%0.02111%0.11CC..SBendtrans-114151.2173.4-63.2-40.5000111.8K271 F290 S292 Q296 Q361 R374K271-D363 IonicContact NZ-OD1 2.77Å; K271-D363 PolarHBondContact NZ-OD1 3.19Å; F290-D363 PolarHBondContact O-N 3.23Å; S292-D363 WeakPolarHBondContact CB-OD2 3.23Å; S292-D363 PolarHBondContact N-OD2 3.48Å; S292-D363 PolarHBondContact OG-OD2 3Å; Q296-D363 PolarHBondContact NE2-OD2 2.62Å; Q296-D363 PolarHBondContact OE1-OD2 3.47Å; Q361-D363 VanDerWaalsContact C-N 3.34Å; D363-R374 PolarHBondContact O-NH1 2.81Å
364C91.7Very high87.8Confident3 Ų322 Ų222%0.0211%0.111CC..  trans-53.6142.5174.1-72.70000111.6L391 E395 L398 M455 F476C364-L391 WeakPolarHBondContact SG-CD2 3.01Å; C364-E395 PolarHBondContact SG-OE2 3.34Å; C364-L398 HydrophobicContact CB-CD2 4.19Å; C364-M455 HydrophobicContact CB-CE 4.38Å; C364-F476 HydrophobicContact CB-CE1 3.68Å; C364-F476 HydrophobicContact CB-CZ 3.67Å
365P88.4Confident88Confident1 Ų118.9 Ų18.91%0.0069%0.091CC..  trans-69.8151.2170.626.6-28.3000111.2F367 D370 Y371 R374 M455P365-F367 VanDerWaalsContact C-N 3.26Å; P365-F367 WeakPolarHBondContact CB-O 3.21Å; P365-F367 PolarHBondContact O-N 3.44Å; P365-D370 HydrophobicContact CB-CB 3.65Å; P365-Y371 HydrophobicContact CG-CD2 4.48Å; P365-R374 VanDerWaalsContact N-NH1 3.19Å; P365-M455 WeakPolarHBondContact O-CE 3.48Å
366H81.6Confident87.9Confident40 Ų4014.8 Ų14.819%0.1857%0.071CC..SBendtrans-73.6-19.1176-62.878.6000113.6D451 M455 L472H366-D451 IonicContact CE1-OD1 3.34Å; H366-D451 IonicContact CE1-OD2 2.96Å; H366-D451 PolarHBondContact CE1-OD2 2.86Å; H366-D451 VanDerWaalsContact NE2-CG 3.34Å; H366-D451 IonicContact NE2-OD1 2.87Å; H366-D451 PolarHBondContact NE2-OD1 2.99Å; H366-D451 VanDerWaalsContact NE2-OD1 3.09Å; H366-D451 IonicContact NE2-OD2 3Å; H366-D451 PolarHBondContact NE2-OD2 2.63Å; H366-M455 HydrophobicContact CB-CE 4.46Å; H366-M455 VanDerWaalsContact CD2-CG 3.42Å; H366-M455 WeakPolarHBondContact CD2-CG 3.42Å; H366-L472 VanDerWaalsContact O-CD1 3.29Å; H366-L472 WeakPolarHBondContact O-CD1 3.32Å
367F79.4Confident87.4Confident55 Ų5514.6 Ų14.624%0.2417%0.069CC..SBendtrans-143.5152.6-178.1-54.9-84.3000110.1P365 E369 D370 R458P365-F367 VanDerWaalsContact C-N 3.26Å; P365-F367 WeakPolarHBondContact CB-O 3.21Å; P365-F367 PolarHBondContact O-N 3.44Å; F367-E369 WeakPolarHBondContact CB-OE2 3.35Å; F367-E369 PolarHBondContact O-N 3.2Å; F367-D370 HydrophobicContact CB-CB 4.48Å; F367-D370 WeakPolarHBondContact O-CB 3.24Å; F367-D370 PolarHBondContact O-N 3.17Å; F367-R458 VanDerWaalsContact CE1-CZ 3.43Å; F367-R458 VanDerWaalsContact CZ-CZ 3.5Å
368T80.3Confident87Confident9 Ų912 Ų126%0.0556%0.057CC..Hα-helixtrans-63.2-33.8178.1-43.90000111.2L253 D370 Y371 L402L253-T368 HydrophobicContact CD1-CG2 3.34Å; T368-D370 VanDerWaalsContact C-N 3.33Å; T368-D370 PolarHBondContact O-N 3.41Å; T368-Y371 VanDerWaalsContact O-CB 3.24Å; T368-Y371 WeakPolarHBondContact O-CB 3.12Å; T368-Y371 PolarHBondContact O-N 3.37Å; T368-L402 HydrophobicContact CG2-CD2 3.78Å
369E77.1Confident86Confident54 Ų5411.2 Ų11.225%0.2526%0.056SC..Hα-helixtrans-67.7-33.5178-58.177-170.400111.8R184 F367 Y371 I372 H373R184-E369 PolarHBondContact NH2-O 2.92Å; F367-E369 WeakPolarHBondContact CB-OE2 3.35Å; F367-E369 PolarHBondContact O-N 3.2Å; E369-Y371 PolarHBondContact O-N 2.98Å; E369-I372 PolarHBondContact O-N 3.29Å; E369-H373 PolarHBondContact O-CD2 2.9Å; E369-H373 PolarHBondContact O-N 3.26Å; E369-H373 VanDerWaalsContact O-N 3.14Å
370D82.4Confident85.1Confident5 Ų512.6 Ų12.63%0.0276%0.062CC..Hα-helixtrans-61.1-34.7174-79.86.3000111.6R184 N345 P365 F367 T368 H373 R374R184-D370 IonicContact CZ-OD1 3.54Å; R184-D370 IonicContact NH1-OD1 3.53Å; R184-D370 PolarHBondContact NH1-OD1 3.21Å; R184-D370 IonicContact NH2-OD1 2.77Å; R184-D370 PolarHBondContact NH2-OD1 3.07Å; N345-D370 PolarHBondContact ND2-OD2 2.77Å; P365-D370 HydrophobicContact CB-CB 3.65Å; F367-D370 HydrophobicContact CB-CB 4.48Å; F367-D370 WeakPolarHBondContact O-CB 3.24Å; F367-D370 PolarHBondContact O-N 3.17Å; T368-D370 VanDerWaalsContact C-N 3.33Å; T368-D370 PolarHBondContact O-N 3.41Å; D370-H373 PolarHBondContact O-N 2.97Å; D370-R374 WeakPolarHBondContact O-CB 3.18Å; D370-R374 WeakPolarHBondContact O-CD 3.42Å; D370-R374 WeakPolarHBondContact O-CG 3.49Å; D370-R374 PolarHBondContact O-N 3.04Å
371Y86.9Confident83.7Confident0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-58.4-53.5176.7177.4-91.6000110.8Q261 P365 T368 E369 H373 R374 I375 L389 L402 V407 L409Q261-Y371 PolarHBondContact OE1-OH 3.14Å; P365-Y371 HydrophobicContact CG-CD2 4.48Å; T368-Y371 VanDerWaalsContact O-CB 3.24Å; T368-Y371 WeakPolarHBondContact O-CB 3.12Å; T368-Y371 PolarHBondContact O-N 3.37Å; E369-Y371 PolarHBondContact O-N 2.98Å; Y371-H373 VanDerWaalsContact C-N 3.27Å; Y371-H373 PolarHBondContact O-N 2.93Å; Y371-R374 WeakPolarHBondContact O-CB 3.22Å; Y371-R374 PolarHBondContact O-N 3.46Å; Y371-I375 HydrophobicContact CD1-CD1 3.94Å; Y371-I375 HydrophobicContact CD1-CG1 4.49Å; Y371-I375 HydrophobicContact CE1-CD1 3.33Å; Y371-I375 HydrophobicContact CE1-CG1 4.21Å; Y371-I375 HydrophobicContact CE1-CG2 4.16Å; Y371-I375 HydrophobicContact CE2-CG2 4.22Å; Y371-I375 WeakPolarHBondContact O-CG1 3.42Å; Y371-I375 PolarHBondContact O-N 3.35Å; Y371-L389 HydrophobicContact CD2-CD2 4.31Å; Y371-L389 HydrophobicContact CE2-CB 4.48Å; Y371-L389 HydrophobicContact CE2-CD2 4.06Å; Y371-L402 HydrophobicContact CD1-CD2 3.9Å; Y371-L402 HydrophobicContact CD2-CD1 4.02Å; Y371-L402 HydrophobicContact CD2-CD2 4.29Å; Y371-L402 HydrophobicContact CE1-CD2 4.44Å; Y371-L402 HydrophobicContact CE2-CD1 3.95Å; Y371-L402 HydrophobicContact CG-CD1 4.38Å; Y371-L402 HydrophobicContact CG-CD2 3.83Å; Y371-V407 HydrophobicContact CD1-CG1 4.11Å; Y371-V407 HydrophobicContact CE1-CG1 3.35Å; Y371-L409 HydrophobicContact CE2-CD2 4.03Å; Y371-L409 WeakPolarHBondContact OH-CD2 3.29Å; Y371-L409 WeakPolarHBondContact OH-CG 3.36Å
372I81Confident82.3Confident14 Ų1422 Ų227%0.07213%0.125CC..Hα-helixtrans-60.8-41.8-178.5-53.1155.6000110.3T213 L253 E369 R374 I375 G376T213-I372 HydrophobicContact CG2-CD1 3.96Å; L253-I372 HydrophobicContact CB-CD1 3.27Å; L253-I372 HydrophobicContact CB-CG1 3.97Å; L253-I372 HydrophobicContact CD1-CD1 3.75Å; L253-I372 HydrophobicContact CD2-CD1 3.12Å; L253-I372 HydrophobicContact CG-CD1 3.45Å; L253-I372 VanDerWaalsContact CG-CD1 3.45Å; E369-I372 PolarHBondContact O-N 3.29Å; I372-R374 VanDerWaalsContact C-N 3.31Å; I372-R374 PolarHBondContact O-N 3.04Å; I372-I375 WeakPolarHBondContact O-CG1 3.29Å; I372-I375 PolarHBondContact O-N 2.89Å; I372-G376 PolarHBondContact O-N 3.36Å
373H79.3Confident81.3Confident16 Ų1627 Ų277%0.07415%0.148CC..Hα-helixtrans-66.4-36.7-176.7-72.9-147.4000111.7E181 D183 R184 E369 D370 Y371 R377E181-H373 IonicContact OE2-CE1 3.12Å; E181-H373 IonicContact OE2-ND1 3.88Å; D183-H373 IonicContact OD2-CE1 3.83Å; D183-H373 PolarHBondContact OD2-CE1 3.18Å; D183-H373 IonicContact OD2-ND1 3.88Å; D183-H373 IonicContact OD2-NE2 2.72Å; R184-H373 PolarHBondContact NE-CE1 2.75Å; R184-H373 PolarHBondContact NE-ND1 3.2Å; R184-H373 VanDerWaalsContact NE-ND1 3.16Å; R184-H373 PolarHBondContact NH2-CE1 3.44Å; R184-H373 PolarHBondContact NH2-ND1 2.85Å; E369-H373 PolarHBondContact O-CD2 2.9Å; E369-H373 PolarHBondContact O-N 3.26Å; E369-H373 VanDerWaalsContact O-N 3.14Å; D370-H373 PolarHBondContact O-N 2.97Å; Y371-H373 VanDerWaalsContact C-N 3.27Å; Y371-H373 PolarHBondContact O-N 2.93Å; H373-R377 PolarHBondContact O-NE 3.36Å; H373-R377 PolarHBondContact O-NH2 3.07Å; H373-R377 VanDerWaalsContact O-NH2 3.11Å
374R87.2Confident80.7Confident5 Ų531.5 Ų31.52%0.01917%0.171CC..Hα-helixtrans-67.6-49.6174.3-71.7166.1175-168-1.6111.3F290 N345 Q361 D363 P365 D370 Y371 I372 G376 R377F290-R374 HydrophobicContact CD1-CG 4.01Å; F290-R374 HydrophobicContact CD2-CB 3.89Å; F290-R374 HydrophobicContact CD2-CG 3.82Å; F290-R374 HydrophobicContact CE1-CG 3.98Å; F290-R374 HydrophobicContact CE2-CB 3.64Å; F290-R374 HydrophobicContact CE2-CG 3.81Å; F290-R374 HydrophobicContact CG-CB 4.49Å; F290-R374 HydrophobicContact CG-CG 3.9Å; F290-R374 HydrophobicContact CZ-CB 4.04Å; F290-R374 HydrophobicContact CZ-CG 3.89Å; N345-R374 VanDerWaalsContact CG-NH2 3.29Å; N345-R374 PolarHBondContact ND2-NE 3.43Å; N345-R374 PolarHBondContact ND2-NH2 3.16Å; N345-R374 PolarHBondContact OD1-NE 2.72Å; N345-R374 PolarHBondContact OD1-NH2 3.45Å; Q361-R374 HydrophobicContact CG-CB 4.4Å; D363-R374 PolarHBondContact O-NH1 2.81Å; P365-R374 VanDerWaalsContact N-NH1 3.19Å; D370-R374 WeakPolarHBondContact O-CB 3.18Å; D370-R374 WeakPolarHBondContact O-CD 3.42Å; D370-R374 WeakPolarHBondContact O-CG 3.49Å; D370-R374 PolarHBondContact O-N 3.04Å; Y371-R374 WeakPolarHBondContact O-CB 3.22Å; Y371-R374 PolarHBondContact O-N 3.46Å; I372-R374 VanDerWaalsContact C-N 3.31Å; I372-R374 PolarHBondContact O-N 3.04Å; R374-G376 VanDerWaalsContact C-N 3.31Å; R374-G376 PolarHBondContact O-N 2.84Å; R374-R377 WeakPolarHBondContact O-CB 3.47Å; R374-R377 VanDerWaalsContact O-CG 3.26Å; R374-R377 WeakPolarHBondContact O-CG 3.39Å; R374-R377 PolarHBondContact O-N 2.96Å
375I85.6Confident80.6Confident0 Ų031.4 Ų31.40%017%0.17CC..Hα-helixtrans-72.6-27-176.268.3171.2000112.3T255 L259 Q261 Y371 I372 R377 T378T255-I375 HydrophobicContact CG2-CD1 3.45Å; T255-I375 VanDerWaalsContact CG2-CD1 3.45Å; L259-I375 HydrophobicContact CD2-CB 3.85Å; L259-I375 HydrophobicContact CD2-CD1 3.67Å; L259-I375 HydrophobicContact CD2-CG1 3.79Å; Q261-I375 HydrophobicContact CG-CD1 4.42Å; Q261-I375 VanDerWaalsContact OE1-CD1 3.25Å; Y371-I375 HydrophobicContact CD1-CD1 3.94Å; Y371-I375 HydrophobicContact CD1-CG1 4.49Å; Y371-I375 HydrophobicContact CE1-CD1 3.33Å; Y371-I375 HydrophobicContact CE1-CG1 4.21Å; Y371-I375 HydrophobicContact CE1-CG2 4.16Å; Y371-I375 HydrophobicContact CE2-CG2 4.22Å; Y371-I375 WeakPolarHBondContact O-CG1 3.42Å; Y371-I375 PolarHBondContact O-N 3.35Å; I372-I375 WeakPolarHBondContact O-CG1 3.29Å; I372-I375 PolarHBondContact O-N 2.89Å; I375-R377 PolarHBondContact O-N 3.25Å; I375-T378 VanDerWaalsContact O-CG2 3.25Å; I375-T378 WeakPolarHBondContact O-CG2 3.49Å; I375-T378 PolarHBondContact O-N 2.98Å; I375-T378 VanDerWaalsContact O-N 3.12Å
376G80.5Confident80.9Confident7 Ų735.3 Ų35.37%0.07219%0.185CC..THydrogen-bonded Turntrans-64.5-2.717400000114.7T70 I372 R374 T378 R380T70-G376 PolarHBondContact OG1-O 3.2Å; I372-G376 PolarHBondContact O-N 3.36Å; R374-G376 VanDerWaalsContact C-N 3.31Å; R374-G376 PolarHBondContact O-N 2.84Å; G376-T378 VanDerWaalsContact C-N 3.28Å; G376-R380 PolarHBondContact O-NE 2.89Å; G376-R380 PolarHBondContact O-NH2 2.93Å
377R81.3Confident81.5Confident4 Ų433.4 Ų33.42%0.01518%0.176CC..THydrogen-bonded Turntrans-75.1-15.8170.6-57-53.1114.6172.69.9113.5I288 F290 E348 L351 V356 V359 H373 R374 I375I288-R377 HydrophobicContact CD1-CB 4.03Å; I288-R377 HydrophobicContact CD1-CG 4.41Å; F290-R377 HydrophobicContact CZ-CG 4.26Å; E348-R377 WeakPolarHBondContact OE1-CD 3.28Å; E348-R377 VanDerWaalsContact OE1-CG 3.28Å; E348-R377 WeakPolarHBondContact OE1-CG 3.25Å; E348-R377 WeakPolarHBondContact OE2-CD 3.5Å; E348-R377 WeakPolarHBondContact OE2-CG 3.5Å; E348-R377 IonicContact OE2-NE 2.99Å; L351-R377 WeakPolarHBondContact O-CD 3.28Å; L351-R377 PolarHBondContact O-NH1 3.15Å; V356-R377 WeakPolarHBondContact CB-O 3.2Å; V359-R377 HydrophobicContact CG2-CB 4.01Å; H373-R377 PolarHBondContact O-NE 3.36Å; H373-R377 PolarHBondContact O-NH2 3.07Å; H373-R377 VanDerWaalsContact O-NH2 3.11Å; R374-R377 WeakPolarHBondContact O-CB 3.47Å; R374-R377 VanDerWaalsContact O-CG 3.26Å; R374-R377 WeakPolarHBondContact O-CG 3.39Å; R374-R377 PolarHBondContact O-N 2.96Å; I375-R377 PolarHBondContact O-N 3.25Å
378T84.4Confident82.3Confident2 Ų231 Ų311%0.01217%0.165CC..SBendtrans-122.2169.3176-174.50000109.9L259 V356 V359 I375 G376 G385L259-T378 HydrophobicContact CD1-CG2 3.46Å; L259-T378 VanDerWaalsContact CD1-CG2 3.46Å; V356-T378 WeakPolarHBondContact O-CB 3.36Å; V356-T378 PolarHBondContact O-OG1 3.4Å; V359-T378 HydrophobicContact CB-CG2 4.22Å; V359-T378 HydrophobicContact CG2-CG2 3.7Å; I375-T378 VanDerWaalsContact O-CG2 3.25Å; I375-T378 WeakPolarHBondContact O-CG2 3.49Å; I375-T378 PolarHBondContact O-N 2.98Å; I375-T378 VanDerWaalsContact O-N 3.12Å; G376-T378 VanDerWaalsContact C-N 3.28Å; T378-G385 WeakPolarHBondContact OG1-CA 3.29Å
379G76.2Confident83.2Confident7 Ų730.5 Ų30.57%0.07216%0.163CC..SBendtrans77.934.1179.300000113.9H383G379-H383 CarbonylContact C-O 3.59Å; G379-H383 VanDerWaalsContact CA-O 3.23Å; G379-H383 WeakPolarHBondContact CA-O 3.42Å
380R75.6Confident84.1Confident30 Ų3028 Ų2811%0.11315%0.151CC..  trans-102.1150.1-173.4-66.6178.6177.6174-16.6111.9T70 D352 F353 G376 G382 H383T70-R380 PolarHBondContact OG1-NH2 3.09Å; D352-R380 IonicContact OD1-CZ 3.86Å; D352-R380 IonicContact OD1-NH1 3.18Å; D352-R380 PolarHBondContact OD1-NH1 2.78Å; F353-R380 PolarHBondContact O-NH1 2.94Å; G376-R380 PolarHBondContact O-NE 2.89Å; G376-R380 PolarHBondContact O-NH2 2.93Å; R380-G382 VanDerWaalsContact C-N 3.27Å; R380-G382 PolarHBondContact O-N 3.35Å; R380-H383 WeakPolarHBondContact O-CB 3.35Å; R380-H383 PolarHBondContact O-N 2.66Å
381N68.3Low84.8Confident143 Ų14327.7 Ų27.777%0.76515%0.149SC*.THydrogen-bonded Turntrans52.839176.3-60.6-15.7000113.9H383N381-H383 PolarHBondContact O-N 3.13Å
382G67.8Low85.3Confident54 Ų5427.9 Ų27.956%0.55715%0.15SC*.THydrogen-bonded Turntrans76.2-1-17900000115R380R380-G382 VanDerWaalsContact C-N 3.27Å; R380-G382 PolarHBondContact O-N 3.35Å
383H76.9Confident86Confident113 Ų11330.7 Ų30.752%0.52317%0.17SC..PPolyproline II helixtrans-75.7139.4172.1-67.6-61.4000111.1G379 R380 N381 G385G379-H383 CarbonylContact C-O 3.59Å; G379-H383 VanDerWaalsContact CA-O 3.23Å; G379-H383 WeakPolarHBondContact CA-O 3.42Å; R380-H383 WeakPolarHBondContact O-CB 3.35Å; R380-H383 PolarHBondContact O-N 2.66Å; N381-H383 PolarHBondContact O-N 3.13Å; H383-G385 PolarHBondContact O-N 2.96Å
384I83.9Confident86.6Confident100 Ų10031.9 Ų31.951%0.51318%0.179SC..PPolyproline II helixtrans-69.7116.3177.4-59.5169.9000109.7L260L260-I384 HydrophobicContact CD1-CG2 4.2Å; L260-I384 HydrophobicContact CG-CG2 4.46Å
385G88.5Confident86.9Confident0 Ų031.8 Ų31.80%018%0.179CC..EExtended strand (participates in β ladder)trans-97.9154.1172.800000112.3E258 L260 T378 H383E258-G385 PolarHBondContact O-N 3.31Å; L260-G385 PolarHBondContact N-O 2.93Å; T378-G385 WeakPolarHBondContact OG1-CA 3.29Å; H383-G385 PolarHBondContact O-N 2.96Å
386R94.5Very high87.2Confident84 Ų8436.2 Ų36.232%0.31720%0.2SC..EExtended strand (participates in β ladder)trans-131.6138.7173.9-61.6179.6177.569.80.5110.6L260 H357 W358 V359L260-R386 HydrophobicContact CB-CG 4.22Å; L260-R386 HydrophobicContact CD1-CG 4.35Å; L260-R386 CarbonylContact O-C 3.54Å; L260-R386 WeakPolarHBondContact O-CA 3.37Å; H357-R386 PolarHBondContact O-N 2.85Å; H357-R386 VanDerWaalsContact O-N 3.16Å; W358-R386 CarbonylContact C-O 3.58Å; W358-R386 VanDerWaalsContact CA-O 3.25Å; W358-R386 WeakPolarHBondContact CA-O 3.12Å; W358-R386 HydrophobicContact CD2-CB 3.53Å; W358-R386 HydrophobicContact CE3-CB 3.38Å; W358-R386 HydrophobicContact CG-CB 4.33Å; W358-R386 HydrophobicContact CH2-CB 3.74Å; W358-R386 HydrophobicContact CH2-CG 4.28Å; W358-R386 HydrophobicContact CZ2-CB 3.87Å; W358-R386 HydrophobicContact CZ2-CG 4.17Å; W358-R386 HydrophobicContact CZ3-CB 3.49Å; W358-R386 VanDerWaalsContact CZ3-CB 3.49Å; W358-R386 HydrophobicContact CZ3-CG 4.49Å; V359-R386 PolarHBondContact N-O 3.37Å
387S94.7Very high87.7Confident0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-129145.3172.966.10000111.1L260 Y262 V359L260-S387 PolarHBondContact O-N 3.45Å; Y262-S387 WeakPolarHBondContact CB-O 3.42Å; Y262-S387 WeakPolarHBondContact CD2-O 3.16Å; Y262-S387 PolarHBondContact N-O 3.23Å; V359-S387 CarbonylContact O-C 3.53Å; V359-S387 WeakPolarHBondContact O-CA 3.35Å
388I97.1Very high88.2Confident3 Ų339 Ų392%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-133.5129173.3-170.7164.6000110.4Y262 A264 F278 W358 V359 V360 Q361 F390 V412 F414Y262-I388 CarbonylContact O-C 3.59Å; Y262-I388 VanDerWaalsContact O-CA 3.28Å; Y262-I388 WeakPolarHBondContact O-CA 3.49Å; A264-I388 HydrophobicContact CB-CD1 4.23Å; F278-I388 HydrophobicContact CE2-CG2 4.3Å; F278-I388 HydrophobicContact CZ-CG2 4.15Å; W358-I388 HydrophobicContact CE3-CG2 4.39Å; W358-I388 HydrophobicContact CZ3-CB 4.23Å; W358-I388 HydrophobicContact CZ3-CG2 4.31Å; V359-I388 PolarHBondContact O-N 3.12Å; V360-I388 HydrophobicContact CB-CG2 4.25Å; V360-I388 HydrophobicContact CG1-CG2 4.11Å; V360-I388 HydrophobicContact CG2-CG2 3.88Å; Q361-I388 PolarHBondContact N-O 3.01Å; I388-F390 HydrophobicContact CD1-CE1 3.96Å; I388-F390 HydrophobicContact CG1-CD1 4.24Å; I388-F390 HydrophobicContact CG1-CE1 4.04Å; I388-F390 HydrophobicContact CG2-CE1 4.28Å; I388-V412 HydrophobicContact CD1-CB 4.4Å; I388-F414 HydrophobicContact CD1-CE2 3.95Å; I388-F414 HydrophobicContact CD1-CZ 3.99Å
389L97.3Very high88.5Confident0 Ų040.4 Ų40.40%022%0.221CC..EExtended strand (participates in β ladder)trans-102.1123.9175.1176.861.7000110.3Y262 Y263 A264 Q361 Y371 L391 L398 L402 L409Y262-L389 PolarHBondContact O-N 3.36Å; Y263-L389 CarbonylContact C-O 3.53Å; Y263-L389 VanDerWaalsContact CA-O 3.23Å; Y263-L389 WeakPolarHBondContact CA-O 3.27Å; A264-L389 PolarHBondContact N-O 2.85Å; Q361-L389 HydrophobicContact CB-CB 4.45Å; Q361-L389 HydrophobicContact CB-CD1 3.56Å; Y371-L389 HydrophobicContact CD2-CD2 4.31Å; Y371-L389 HydrophobicContact CE2-CB 4.48Å; Y371-L389 HydrophobicContact CE2-CD2 4.06Å; L389-L391 HydrophobicContact CD1-CD2 4.31Å; L389-L391 HydrophobicContact CD2-CD2 3.66Å; L389-L391 HydrophobicContact CD2-CG 4.22Å; L389-L391 HydrophobicContact CG-CD2 3.73Å; L389-L391 HydrophobicContact CG-CG 4.07Å; L389-L398 HydrophobicContact CD2-CD2 3.99Å; L389-L402 HydrophobicContact CD2-CD1 4.2Å; L389-L409 HydrophobicContact CB-CD2 4.17Å; L389-L409 HydrophobicContact CD2-CD2 4.19Å
390F98Very high89.2Confident0 Ų044.6 Ų44.60%024%0.241CC..EExtended strand (participates in β ladder)trans-88.4123.1170.7-68.3-6.2000109.4A264 V266 T274 L275 V360 Q361 F362 I388 F414A264-F390 HydrophobicContact CB-CD1 4.16Å; A264-F390 HydrophobicContact CB-CE1 4.39Å; V266-F390 HydrophobicContact CG2-CD1 4.28Å; V266-F390 HydrophobicContact CG2-CG 4.26Å; T274-F390 HydrophobicContact CG2-CE1 4.48Å; T274-F390 HydrophobicContact CG2-CE2 4.19Å; T274-F390 HydrophobicContact CG2-CZ 3.91Å; L275-F390 HydrophobicContact CB-CE2 4.15Å; V360-F390 HydrophobicContact CG1-CE2 4.32Å; V360-F390 HydrophobicContact CG1-CZ 4.27Å; Q361-F390 PolarHBondContact O-N 2.89Å; F362-F390 HydrophobicContact CD2-CD2 4.1Å; F362-F390 HydrophobicContact CD2-CE2 4.42Å; I388-F390 HydrophobicContact CD1-CE1 3.96Å; I388-F390 HydrophobicContact CG1-CD1 4.24Å; I388-F390 HydrophobicContact CG1-CE1 4.04Å; I388-F390 HydrophobicContact CG2-CE1 4.28Å; F390-F414 AromaticContact CE1-CE2 3.86Å; F390-F414 HydrophobicContact CE1-CE2 3.86Å; F390-F414 HydrophobicContact CE1-CZ 4.09Å; F390-F414 HydrophobicContact CZ-CE2 4.33Å; F390-F414 HydrophobicContact CZ-CZ 4.28Å
391L96.8Very high89.8Confident0 Ų043.5 Ų43.50%024%0.238CC..EExtended strand (participates in β ladder)trans-115.8139.4177.7-60.9176.7000109.5Y263 A264 I265 V266 C364 L389 E395 L398 I399Y263-L391 HydrophobicContact CD2-CD1 4.07Å; Y263-L391 HydrophobicContact CG-CD1 4.47Å; A264-L391 PolarHBondContact O-N 3.01Å; I265-L391 CarbonylContact C-O 3.58Å; I265-L391 VanDerWaalsContact CA-O 3.32Å; I265-L391 WeakPolarHBondContact CA-O 3.3Å; I265-L391 HydrophobicContact CD1-CB 3.76Å; I265-L391 HydrophobicContact CD1-CD1 4.06Å; I265-L391 HydrophobicContact CD1-CG 4.46Å; V266-L391 PolarHBondContact N-O 2.99Å; C364-L391 WeakPolarHBondContact SG-CD2 3.01Å; L389-L391 HydrophobicContact CD1-CD2 4.31Å; L389-L391 HydrophobicContact CD2-CD2 3.66Å; L389-L391 HydrophobicContact CD2-CG 4.22Å; L389-L391 HydrophobicContact CG-CD2 3.73Å; L389-L391 HydrophobicContact CG-CG 4.07Å; L391-E395 HydrophobicContact CB-CB 4.34Å; L391-E395 HydrophobicContact CD2-CB 4.28Å; L391-L398 HydrophobicContact CD2-CB 4.33Å; L391-L398 HydrophobicContact CD2-CD2 3.84Å; L391-L398 HydrophobicContact CD2-CG 4.49Å; L391-I399 HydrophobicContact CD1-CD1 3.78Å; L391-I399 HydrophobicContact CD1-CG1 3.63Å
392L96.3Very high90.8Very high4 Ų436.7 Ų36.72%0.02120%0.201CC..  trans-67.1157.1162.7-57.9-176.6000110.1V266 L268 K271 S394 E395 Y452 L481V266-L392 WeakPolarHBondContact O-CD2 3.41Å; L268-L392 HydrophobicContact CB-CD1 4.48Å; L268-L392 HydrophobicContact CB-CD2 3.64Å; L268-L392 HydrophobicContact CD1-CD2 4.21Å; L268-L392 HydrophobicContact CG-CD2 4.48Å; K271-L392 HydrophobicContact CD-CD2 3.85Å; L392-S394 PolarHBondContact O-N 3.11Å; L392-S394 VanDerWaalsContact O-N 3.16Å; L392-E395 HydrophobicContact CB-CB 4.35Å; L392-E395 HydrophobicContact CB-CG 3.9Å; L392-E395 HydrophobicContact CG-CG 4.34Å; L392-E395 WeakPolarHBondContact CG-OE2 3.4Å; L392-E395 PolarHBondContact N-OE2 2.97Å; L392-E395 PolarHBondContact O-N 2.88Å; L392-Y452 HydrophobicContact CD1-CE2 4.02Å; L392-L481 HydrophobicContact CD1-CD2 3.48Å; L392-L481 VanDerWaalsContact CD1-CD2 3.48Å
393P95.2Very high91.7Very high73 Ų7336.6 Ų36.647%0.47420%0.195SC..G310 helixtrans-52.2-34.7172.5-28.135.6000113.9I265 Q396I265-P393 HydrophobicContact CG2-CB 4.27Å; I265-P393 HydrophobicContact CG2-CG 3.94Å; P393-Q396 WeakPolarHBondContact O-CG 3.32Å
394S92.4Very high92Very high40 Ų4038.8 Ų38.828%0.2820%0.203SC..G310 helixtrans-74.7-19.9176.6510000114.3L392L392-S394 PolarHBondContact O-N 3.11Å; L392-S394 VanDerWaalsContact O-N 3.16Å
395E93.9Very high91.8Very high3 Ų334.5 Ų34.51%0.01418%0.181CC..G310 helixtrans-92.43.8-173.5-65.9172.5153.800113.5C364 L391 L392 N397 L398 Y452 V475 F476C364-E395 PolarHBondContact SG-OE2 3.34Å; L391-E395 HydrophobicContact CB-CB 4.34Å; L391-E395 HydrophobicContact CD2-CB 4.28Å; L392-E395 HydrophobicContact CB-CB 4.35Å; L392-E395 HydrophobicContact CB-CG 3.9Å; L392-E395 HydrophobicContact CG-CG 4.34Å; L392-E395 WeakPolarHBondContact CG-OE2 3.4Å; L392-E395 PolarHBondContact N-OE2 2.97Å; L392-E395 PolarHBondContact O-N 2.88Å; E395-N397 PolarHBondContact O-N 3.26Å; E395-N397 VanDerWaalsContact O-N 3.08Å; E395-L398 VanDerWaalsContact O-CB 3.27Å; E395-L398 WeakPolarHBondContact O-CB 2.99Å; E395-L398 PolarHBondContact O-N 3.31Å; E395-Y452 WeakPolarHBondContact OE1-CE2 2.96Å; E395-V475 HydrophobicContact CB-CG1 4.05Å; E395-V475 HydrophobicContact CG-CG1 4.3Å; E395-F476 HydrophobicContact CG-CD1 4.32Å; E395-F476 HydrophobicContact CG-CE1 4.24Å; E395-F476 WeakPolarHBondContact OE1-CE1 3.48Å
396Q92.4Very high91.3Very high94 Ų9437.7 Ų37.744%0.43920%0.203SC..THydrogen-bonded Turntrans-57.1-29.1-173.1-73.2-17612.200114.3I265 P393 L398 I399I265-Q396 HydrophobicContact CD1-CG 3.56Å; I265-Q396 HydrophobicContact CG1-CG 4.25Å; P393-Q396 WeakPolarHBondContact O-CG 3.32Å; Q396-L398 PolarHBondContact O-N 3.21Å; Q396-L398 VanDerWaalsContact O-N 3.08Å; Q396-I399 WeakPolarHBondContact O-CB 3.23Å; Q396-I399 WeakPolarHBondContact O-CD1 3.48Å; Q396-I399 WeakPolarHBondContact O-CG1 3.38Å; Q396-I399 PolarHBondContact O-N 3.47Å
397N91Very high90.8Very high69 Ų6933.7 Ų33.737%0.36919%0.188SC..Hα-helixtrans-62.6-17.2179.3-164.935.6000113.1E395 I399 N400 I401E395-N397 PolarHBondContact O-N 3.26Å; E395-N397 VanDerWaalsContact O-N 3.08Å; N397-I399 PolarHBondContact O-N 3.39Å; N397-N400 PolarHBondContact O-N 2.94Å; N397-N400 VanDerWaalsContact O-N 3.17Å; N397-N400 PolarHBondContact OD1-ND2 3.13Å; N397-N400 VanDerWaalsContact OD1-ND2 3.1Å; N397-I401 PolarHBondContact O-N 2.75Å
398L91Very high90.4Very high1 Ų139.1 Ų39.11%0.00522%0.221CC..Hα-helixtrans-56.3-34.1170.9-178.650.8000112.4C364 L389 L391 E395 Q396 N400 I401 L402 L472 V475C364-L398 HydrophobicContact CB-CD2 4.19Å; L389-L398 HydrophobicContact CD2-CD2 3.99Å; L391-L398 HydrophobicContact CD2-CB 4.33Å; L391-L398 HydrophobicContact CD2-CD2 3.84Å; L391-L398 HydrophobicContact CD2-CG 4.49Å; E395-L398 VanDerWaalsContact O-CB 3.27Å; E395-L398 WeakPolarHBondContact O-CB 2.99Å; E395-L398 PolarHBondContact O-N 3.31Å; Q396-L398 PolarHBondContact O-N 3.21Å; Q396-L398 VanDerWaalsContact O-N 3.08Å; L398-N400 VanDerWaalsContact C-N 3.3Å; L398-N400 PolarHBondContact O-N 3.3Å; L398-I401 PolarHBondContact O-N 3.44Å; L398-I401 VanDerWaalsContact O-N 3.17Å; L398-L402 HydrophobicContact CD1-CD1 4.33Å; L398-L402 HydrophobicContact CD1-CG 4.09Å; L398-L402 HydrophobicContact CG-CD1 4.06Å; L398-L402 HydrophobicContact CG-CG 4.32Å; L398-L402 WeakPolarHBondContact O-CG 3.47Å; L398-L402 PolarHBondContact O-N 3.08Å; L398-L472 HydrophobicContact CD1-CD2 3.27Å; L398-V475 HydrophobicContact CB-CG1 4.09Å
399I91.7Very high90.2Very high30 Ų3039.5 Ų39.515%0.15422%0.223CC..Hα-helixtrans-61.4-42.3179.3-59160.4000110.4Y263 L391 Q396 N397 I401 L402 A403Y263-I399 HydrophobicContact CD1-CD1 4.23Å; Y263-I399 HydrophobicContact CD1-CG1 4.47Å; Y263-I399 HydrophobicContact CD2-CD1 3.68Å; Y263-I399 HydrophobicContact CD2-CG1 4.4Å; Y263-I399 HydrophobicContact CE1-CD1 3.91Å; Y263-I399 HydrophobicContact CE1-CG1 4.48Å; Y263-I399 HydrophobicContact CE2-CD1 3.35Å; Y263-I399 HydrophobicContact CE2-CG1 4.45Å; Y263-I399 HydrophobicContact CG-CD1 4.1Å; Y263-I399 HydrophobicContact CG-CG1 4.4Å; Y263-I399 VanDerWaalsContact CZ-CD1 3.45Å; L391-I399 HydrophobicContact CD1-CD1 3.78Å; L391-I399 HydrophobicContact CD1-CG1 3.63Å; Q396-I399 WeakPolarHBondContact O-CB 3.23Å; Q396-I399 WeakPolarHBondContact O-CD1 3.48Å; Q396-I399 WeakPolarHBondContact O-CG1 3.38Å; Q396-I399 PolarHBondContact O-N 3.47Å; N397-I399 PolarHBondContact O-N 3.39Å; I399-I401 VanDerWaalsContact C-N 3.32Å; I399-I401 PolarHBondContact O-N 2.85Å; I399-L402 PolarHBondContact O-N 2.99Å; I399-A403 WeakPolarHBondContact O-CB 3.48Å; I399-A403 PolarHBondContact O-N 2.99Å
400N90.9Very high90.1Very high95 Ų9545.6 Ų45.651%0.50825%0.249SC..Hα-helixtrans-66.8-36178.3-61.9-29.5000111.6N397 L398 K404N397-N400 PolarHBondContact O-N 2.94Å; N397-N400 VanDerWaalsContact O-N 3.17Å; N397-N400 PolarHBondContact OD1-ND2 3.13Å; N397-N400 VanDerWaalsContact OD1-ND2 3.1Å; L398-N400 VanDerWaalsContact C-N 3.3Å; L398-N400 PolarHBondContact O-N 3.3Å; N400-K404 WeakPolarHBondContact O-CG 3.37Å; N400-K404 PolarHBondContact O-N 3.33Å
401I87.5Confident90Very high8 Ų849.9 Ų49.94%0.04128%0.277CS..Hα-helixtrans-68.5-42.5176.7-63.3167.1000110.6N397 L398 I399 K404 H405 E471 L472 V475N397-I401 PolarHBondContact O-N 2.75Å; L398-I401 PolarHBondContact O-N 3.44Å; L398-I401 VanDerWaalsContact O-N 3.17Å; I399-I401 VanDerWaalsContact C-N 3.32Å; I399-I401 PolarHBondContact O-N 2.85Å; I401-K404 WeakPolarHBondContact O-CB 3.25Å; I401-K404 PolarHBondContact O-N 2.83Å; I401-H405 PolarHBondContact O-ND1 3.45Å; I401-E471 VanDerWaalsContact CD1-O 3.3Å; I401-E471 WeakPolarHBondContact CD1-O 3.1Å; I401-E471 HydrophobicContact CG2-CB 4.15Å; I401-L472 HydrophobicContact CD1-CD2 4.02Å; I401-L472 HydrophobicContact CG2-CD2 4.43Å; I401-V475 HydrophobicContact CD1-CG2 3.45Å; I401-V475 VanDerWaalsContact CD1-CG2 3.45Å
402L88.3Confident89.9Confident0 Ų052.2 Ų52.20%029%0.291CS..Hα-helixtrans-64.3-41.1175.4-69.4173.3000111.3T368 Y371 L389 L398 I399 K404 H405 V407 L409T368-L402 HydrophobicContact CG2-CD2 3.78Å; Y371-L402 HydrophobicContact CD1-CD2 3.9Å; Y371-L402 HydrophobicContact CD2-CD1 4.02Å; Y371-L402 HydrophobicContact CD2-CD2 4.29Å; Y371-L402 HydrophobicContact CE1-CD2 4.44Å; Y371-L402 HydrophobicContact CE2-CD1 3.95Å; Y371-L402 HydrophobicContact CG-CD1 4.38Å; Y371-L402 HydrophobicContact CG-CD2 3.83Å; L389-L402 HydrophobicContact CD2-CD1 4.2Å; L398-L402 HydrophobicContact CD1-CD1 4.33Å; L398-L402 HydrophobicContact CD1-CG 4.09Å; L398-L402 HydrophobicContact CG-CD1 4.06Å; L398-L402 HydrophobicContact CG-CG 4.32Å; L398-L402 WeakPolarHBondContact O-CG 3.47Å; L398-L402 PolarHBondContact O-N 3.08Å; I399-L402 PolarHBondContact O-N 2.99Å; L402-K404 VanDerWaalsContact C-N 3.29Å; L402-K404 PolarHBondContact O-N 3.2Å; L402-H405 CarbonylContact O-C 3.36Å; L402-H405 WeakPolarHBondContact O-CA 3.28Å; L402-H405 PolarHBondContact O-N 3.01Å; L402-V407 CarbonylContact C-O 3.56Å; L402-V407 HydrophobicContact CB-CB 4.09Å; L402-V407 HydrophobicContact CB-CG1 4.29Å; L402-V407 WeakPolarHBondContact O-CB 3.39Å; L402-V407 PolarHBondContact O-N 2.87Å; L402-L409 HydrophobicContact CB-CD1 4.07Å; L402-L409 HydrophobicContact CD1-CD1 3.71Å; L402-L409 HydrophobicContact CD1-CD2 4.25Å
403A87.3Confident89.7Confident51 Ų5161.2 Ų61.242%0.42133%0.33SS..Hα-helixtrans-61-35.8177.200000112.9I399 H405 S406 V407I399-A403 WeakPolarHBondContact O-CB 3.48Å; I399-A403 PolarHBondContact O-N 2.99Å; A403-H405 PolarHBondContact O-N 3.18Å; A403-S406 PolarHBondContact O-N 3.28Å; A403-V407 WeakPolarHBondContact CA-O 3.48Å; A403-V407 PolarHBondContact N-O 3.18Å
404K84.4Confident89.5Confident160 Ų16060.5 Ų60.570%0.69632%0.32SS*.Hα-helixtrans-62.6-21.2173.8-73.5173.6-177.9-179.30113.8N400 I401 L402N400-K404 WeakPolarHBondContact O-CG 3.37Å; N400-K404 PolarHBondContact O-N 3.33Å; I401-K404 WeakPolarHBondContact O-CB 3.25Å; I401-K404 PolarHBondContact O-N 2.83Å; L402-K404 VanDerWaalsContact C-N 3.29Å; L402-K404 PolarHBondContact O-N 3.2Å
405H78.2Confident89.2Confident10 Ų1061.7 Ų61.75%0.04633%0.327CS..THydrogen-bonded Turntrans-10525.7176.3-59.989000112.2K251 L253 I401 L402 A403 V407 E471K251-H405 PolarHBondContact O-CD2 3.03Å; L253-H405 HydrophobicContact CB-CB 3.82Å; L253-H405 HydrophobicContact CD1-CB 3.41Å; L253-H405 VanDerWaalsContact CD1-CB 3.41Å; L253-H405 WeakPolarHBondContact CD1-CD2 3.46Å; L253-H405 VanDerWaalsContact CD1-CG 3.43Å; L253-H405 HydrophobicContact CG-CB 3.75Å; L253-H405 PolarHBondContact N-O 2.91Å; L253-H405 VanDerWaalsContact N-O 3.14Å; I401-H405 PolarHBondContact O-ND1 3.45Å; L402-H405 CarbonylContact O-C 3.36Å; L402-H405 WeakPolarHBondContact O-CA 3.28Å; L402-H405 PolarHBondContact O-N 3.01Å; A403-H405 PolarHBondContact O-N 3.18Å; H405-V407 PolarHBondContact O-N 3.32Å; H405-E471 IonicContact CE1-OE1 3.91Å; H405-E471 IonicContact CE1-OE2 3.58Å; H405-E471 PolarHBondContact CE1-OE2 2.96Å; H405-E471 IonicContact NE2-OE1 3.62Å; H405-E471 IonicContact NE2-OE2 2.98Å
406S79.6Confident88.9Confident66 Ų6666.6 Ų66.646%0.46235%0.349SS..THydrogen-bonded Turntrans65.622.3177.9-51.90000114.6A403A403-S406 PolarHBondContact O-N 3.28Å
407V84Confident88.6Confident1 Ų167.6 Ų67.61%0.00637%0.367CS..  trans-106.9106.1176.4-177.10000109.8L253 T255 Q261 Y371 L402 A403 H405 L409L253-V407 HydrophobicContact CB-CG2 4.24Å; T255-V407 HydrophobicContact CG2-CG2 4.2Å; Q261-V407 VanDerWaalsContact OE1-CG1 3.27Å; Y371-V407 HydrophobicContact CD1-CG1 4.11Å; Y371-V407 HydrophobicContact CE1-CG1 3.35Å; L402-V407 CarbonylContact C-O 3.56Å; L402-V407 HydrophobicContact CB-CB 4.09Å; L402-V407 HydrophobicContact CB-CG1 4.29Å; L402-V407 WeakPolarHBondContact O-CB 3.39Å; L402-V407 PolarHBondContact O-N 2.87Å; A403-V407 WeakPolarHBondContact CA-O 3.48Å; A403-V407 PolarHBondContact N-O 3.18Å; H405-V407 PolarHBondContact O-N 3.32Å; V407-L409 HydrophobicContact CG1-CD1 3.69Å
408V86.3Confident88.4Confident113 Ų11371.6 Ų71.669%0.68538%0.381SS*.  trans-105.7121.8-179.6-176.40000110.6
409L92.2Very high88.4Confident12 Ų1272.4 Ų72.46%0.06339%0.385CS..  trans-106.7138.3-179-66.577000110.7Q261 Y263 Y371 L389 L402 V407Q261-L409 HydrophobicContact CB-CG 4.29Å; Y263-L409 HydrophobicContact CD1-CB 3.69Å; Y263-L409 HydrophobicContact CG-CB 4.47Å; Y371-L409 HydrophobicContact CE2-CD2 4.03Å; Y371-L409 WeakPolarHBondContact OH-CD2 3.29Å; Y371-L409 WeakPolarHBondContact OH-CG 3.36Å; L389-L409 HydrophobicContact CB-CD2 4.17Å; L389-L409 HydrophobicContact CD2-CD2 4.19Å; L402-L409 HydrophobicContact CB-CD1 4.07Å; L402-L409 HydrophobicContact CD1-CD1 3.71Å; L402-L409 HydrophobicContact CD1-CD2 4.25Å; V407-L409 HydrophobicContact CG1-CD1 3.69Å
410K94.1Very high88.3Confident127 Ų12775.1 Ų75.155%0.55240%0.397SS*.EExtended strand (participates in β ladder)trans-87.6134176.1-66.1-177.7-179.5-179.30111.2Q261 Y262 Y263Q261-K410 PolarHBondContact O-N 3.45Å; Y262-K410 CarbonylContact C-O 3.51Å; Y262-K410 WeakPolarHBondContact CA-O 3.46Å; Y262-K410 HydrophobicContact CD1-CB 3.79Å; Y262-K410 HydrophobicContact CE1-CB 4.09Å; Y262-K410 HydrophobicContact CE1-CD 4.44Å; Y263-K410 PolarHBondContact N-O 3.47Å
411P96.2Very high88.2Confident91 Ų9173.4 Ų73.459%0.59138%0.384SS*.EExtended strand (participates in β ladder)trans-68.9140.9177.426-32.1000111.9Y263Y263-P411 HydrophobicContact CE1-CB 3.78Å; Y263-P411 HydrophobicContact CE1-CG 4.4Å; Y263-P411 HydrophobicContact CE2-CB 4.27Å; Y263-P411 CarbonylContact O-C 3.35Å
412V94.8Very high88.5Confident48 Ų4877.4 Ų77.429%0.29140%0.398SS..  trans-129.7136170.1177.20000108.6Y262 Y263 A264 I388Y262-V412 HydrophobicContact CD1-CG2 3.41Å; Y262-V412 VanDerWaalsContact CD1-CG2 3.41Å; Y262-V412 HydrophobicContact CE1-CG2 4.23Å; Y262-V412 HydrophobicContact CG-CG2 3.81Å; Y263-V412 PolarHBondContact O-N 3.21Å; A264-V412 WeakPolarHBondContact CA-O 3.4Å; A264-V412 WeakPolarHBondContact CB-O 3.24Å; I388-V412 HydrophobicContact CD1-CB 4.4Å
413K92.3Very high88.7Confident194 Ų19477.4 Ų77.484%0.84340%0.398SS*.  trans-105.8141174.8-65.4-175.5179.3-179.20109.8P415K413-P415 WeakPolarHBondContact O-CD 3.35Å
414F90.7Very high88.9Confident58 Ų5876.6 Ų76.625%0.25439%0.39SS..  trans-101.7105.1167.3-70.7-89.3000107.8A264 T274 F278 I388 F390 E416A264-F414 HydrophobicContact CB-CD2 3.85Å; A264-F414 HydrophobicContact CB-CE2 3.58Å; T274-F414 HydrophobicContact CG2-CB 4.22Å; T274-F414 HydrophobicContact CG2-CD1 3.86Å; T274-F414 HydrophobicContact CG2-CD2 3.57Å; T274-F414 HydrophobicContact CG2-CE1 4.07Å; T274-F414 HydrophobicContact CG2-CE2 3.8Å; T274-F414 HydrophobicContact CG2-CG 3.6Å; T274-F414 HydrophobicContact CG2-CZ 4.04Å; F278-F414 HydrophobicContact CB-CE1 4.13Å; F278-F414 HydrophobicContact CB-CZ 4.35Å; F278-F414 HydrophobicContact CD2-CE1 4.04Å; F278-F414 AromaticContact CD2-CZ 3.88Å; F278-F414 HydrophobicContact CD2-CZ 3.88Å; I388-F414 HydrophobicContact CD1-CE2 3.95Å; I388-F414 HydrophobicContact CD1-CZ 3.99Å; F390-F414 AromaticContact CE1-CE2 3.86Å; F390-F414 HydrophobicContact CE1-CE2 3.86Å; F390-F414 HydrophobicContact CE1-CZ 4.09Å; F390-F414 HydrophobicContact CZ-CE2 4.33Å; F390-F414 HydrophobicContact CZ-CZ 4.28Å; F414-E416 PolarHBondContact O-N 3.28Å
415P87Confident89.3Confident64 Ų6476.9 Ų76.942%0.41639%0.391SS..  trans-61.1135.3178.4-21.432.9000110.6K413 S417 K418 L419K413-P415 WeakPolarHBondContact O-CD 3.35Å; P415-S417 PolarHBondContact O-N 2.86Å; P415-K418 HydrophobicContact CB-CG 4.47Å; P415-K418 HydrophobicContact CG-CD 4.38Å; P415-K418 PolarHBondContact O-N 2.95Å; P415-L419 PolarHBondContact O-N 2.76Å
416E86.9Confident90.1Very high106 Ų10679.7 Ų79.750%0.49540%0.404SS..G310 helixtrans-56.3-35.2179.8-168.962-149.700111.7F414 K418 L419 R421F414-E416 PolarHBondContact O-N 3.28Å; E416-K418 PolarHBondContact O-N 3.19Å; E416-L419 WeakPolarHBondContact O-CB 3.42Å; E416-L419 PolarHBondContact O-N 3.42Å; E416-L419 VanDerWaalsContact O-N 3.14Å; E416-R421 IonicContact OE1-CZ 3.71Å; E416-R421 IonicContact OE1-NE 2.77Å; E416-R421 PolarHBondContact OE1-NE 3.33Å; E416-R421 IonicContact OE1-NH2 3.14Å; E416-R421 PolarHBondContact OE1-NH2 2.67Å; E416-R421 IonicContact OE2-NH2 2.62Å
417S85.5Confident90.8Very high116 Ų11676.6 Ų76.681%0.81138%0.382SS*.G310 helixtrans-63.3-21.5176.757.60000114.6P415P415-S417 PolarHBondContact O-N 2.86Å
418K88.5Confident91.2Very high153 Ų15379 Ų7967%0.66540%0.399SS*.G310 helixtrans-100.9-6.2178.4-65.3-172.5178.3-178.10112.7T277 P415 E416 Q420T277-K418 VanDerWaalsContact CG2-O 3.25Å; T277-K418 WeakPolarHBondContact CG2-O 3.49Å; P415-K418 HydrophobicContact CB-CG 4.47Å; P415-K418 HydrophobicContact CG-CD 4.38Å; P415-K418 PolarHBondContact O-N 2.95Å; E416-K418 PolarHBondContact O-N 3.19Å; K418-Q420 PolarHBondContact O-N 3.41Å
419L89.7Confident91.6Very high17 Ų1777.1 Ų77.19%0.08939%0.391CS..  trans-76.5111.3-174.9-171.660.7000110.3D273 T274 P415 E416 R421D273-L419 HydrophobicContact CB-CD1 4.11Å; D273-L419 HydrophobicContact CB-CG 4.3Å; T274-L419 VanDerWaalsContact CA-CD1 3.49Å; P415-L419 PolarHBondContact O-N 2.76Å; E416-L419 WeakPolarHBondContact O-CB 3.42Å; E416-L419 PolarHBondContact O-N 3.42Å; E416-L419 VanDerWaalsContact O-N 3.14Å; L419-R421 PolarHBondContact O-N 2.75Å
420Q89.4Confident91.7Very high88 Ų8877.7 Ų77.741%0.41139%0.394SS..  trans-74.599.1175.1-63.2-177.55.900109.7W276 T277 K418 R422W276-Q420 VanDerWaalsContact NE1-OE1 3.16Å; T277-Q420 HydrophobicContact CG2-CG 4.42Å; T277-Q420 WeakPolarHBondContact OG1-CB 3.41Å; T277-Q420 PolarHBondContact OG1-N 3.21Å; K418-Q420 PolarHBondContact O-N 3.41Å; Q420-R422 PolarHBondContact O-N 3.26Å
421R90.3Very high91.7Very high59 Ų5971.9 Ų71.922%0.22337%0.369CS..THydrogen-bonded Turntrans-72.130176.3-62.6-63-168.3168.51.6114.3D273 E416 L419 S424 K425D273-R421 WeakPolarHBondContact OD1-CA 3.17Å; D273-R421 WeakPolarHBondContact OD2-CD 3.46Å; D273-R421 IonicContact OD2-NH1 3.65Å; D273-R421 PolarHBondContact OD2-NH1 3.23Å; E416-R421 IonicContact OE1-CZ 3.71Å; E416-R421 IonicContact OE1-NE 2.77Å; E416-R421 PolarHBondContact OE1-NE 3.33Å; E416-R421 IonicContact OE1-NH2 3.14Å; E416-R421 PolarHBondContact OE1-NH2 2.67Å; E416-R421 IonicContact OE2-NH2 2.62Å; L419-R421 PolarHBondContact O-N 2.75Å; R421-S424 PolarHBondContact O-OG 3.35Å; R421-K425 HydrophobicContact CB-CD 4.31Å; R421-K425 HydrophobicContact CB-CG 4.44Å; R421-K425 VanDerWaalsContact O-CB 3.26Å; R421-K425 WeakPolarHBondContact O-CB 3.41Å; R421-K425 WeakPolarHBondContact O-CD 3.33Å; R421-K425 WeakPolarHBondContact O-CG 3.18Å; R421-K425 PolarHBondContact O-N 3.15Å
422R92.1Very high91.5Very high92 Ų9271.9 Ų71.935%0.34738%0.377SS..Hα-helixtrans-70.9-39-172.9-166174.3-178.8-161.3-11.9111.2L307 Q420 E426L307-R422 HydrophobicContact CD2-CG 4.46Å; L307-R422 PolarHBondContact O-NH1 3Å; L307-R422 PolarHBondContact O-NH2 2.77Å; Q420-R422 PolarHBondContact O-N 3.26Å; R422-E426 HydrophobicContact CG-CG 4.42Å; R422-E426 WeakPolarHBondContact CG-OE1 3.2Å; R422-E426 IonicContact CZ-OE1 3.16Å; R422-E426 IonicContact NE-OE1 3.18Å; R422-E426 PolarHBondContact NE-OE1 3.29Å; R422-E426 IonicContact NH2-OE1 3.98Å; R422-E426 WeakPolarHBondContact O-CB 3.44Å; R422-E426 PolarHBondContact O-N 2.89Å
423V93.5Very high91.5Very high0 Ų079.2 Ų79.20%040%0.399CS..Hα-helixtrans-68.3-51.2-177.1-171.90000110L272 D273 W276 L303 F304 L307 K425 S427L272-V423 HydrophobicContact CB-CG1 4.07Å; L272-V423 HydrophobicContact CD1-CG1 4.38Å; D273-V423 WeakPolarHBondContact OD1-CA 3.46Å; D273-V423 VanDerWaalsContact OD1-CB 3.28Å; D273-V423 WeakPolarHBondContact OD1-CB 3.42Å; D273-V423 PolarHBondContact OD1-N 2.86Å; D273-V423 VanDerWaalsContact OD1-N 3.08Å; W276-V423 HydrophobicContact CB-CG2 3.53Å; W276-V423 HydrophobicContact CD2-CG2 4.09Å; W276-V423 HydrophobicContact CE3-CG2 4.34Å; W276-V423 HydrophobicContact CG-CG2 3.75Å; L303-V423 HydrophobicContact CD2-CG1 3.39Å; L303-V423 HydrophobicContact CG-CG1 4.39Å; F304-V423 HydrophobicContact CE1-CG2 3.96Å; L307-V423 HydrophobicContact CD1-CG2 3.95Å; V423-K425 VanDerWaalsContact C-N 3.34Å; V423-K425 PolarHBondContact O-N 3.42Å; V423-S427 WeakPolarHBondContact O-CB 3.19Å; V423-S427 PolarHBondContact O-N 2.94Å; V423-S427 PolarHBondContact O-OG 3.4Å
424S92.4Very high91.5Very high34 Ų3475.1 Ų75.124%0.23838%0.381CS..Hα-helixtrans-63.8-36.2179.451.10000113D273 R421 S427D273-S424 PolarHBondContact OD1-N 3.02Å; D273-S424 PolarHBondContact OD1-OG 3.41Å; D273-S424 VanDerWaalsContact OD2-CB 3.24Å; D273-S424 WeakPolarHBondContact OD2-CB 3.26Å; D273-S424 PolarHBondContact OD2-OG 2.61Å; R421-S424 PolarHBondContact O-OG 3.35Å; S424-S427 PolarHBondContact O-OG 3.44Å
425K92.8Very high91.6Very high166 Ų16678 Ų7872%0.72240%0.399SS*.Hα-helixtrans-72.8-42.5178.3-73.3178.1179.1-1740113.9R421 V423R421-K425 HydrophobicContact CB-CD 4.31Å; R421-K425 HydrophobicContact CB-CG 4.44Å; R421-K425 VanDerWaalsContact O-CB 3.26Å; R421-K425 WeakPolarHBondContact O-CB 3.41Å; R421-K425 WeakPolarHBondContact O-CD 3.33Å; R421-K425 WeakPolarHBondContact O-CG 3.18Å; R421-K425 PolarHBondContact O-N 3.15Å; V423-K425 VanDerWaalsContact C-N 3.34Å; V423-K425 PolarHBondContact O-N 3.42Å
426E94.4Very high92Very high69 Ų6981.9 Ų81.932%0.32241%0.411SS..Hα-helixtrans-91.1-23.5-173.3-67.4-174-137.400113.4L307 R422 S428 S429 L430L307-E426 HydrophobicContact CD2-CB 3.96Å; L307-E426 HydrophobicContact CD2-CG 4.48Å; L307-E426 WeakPolarHBondContact CD2-OE2 3.31Å; R422-E426 HydrophobicContact CG-CG 4.42Å; R422-E426 WeakPolarHBondContact CG-OE1 3.2Å; R422-E426 IonicContact CZ-OE1 3.16Å; R422-E426 IonicContact NE-OE1 3.18Å; R422-E426 PolarHBondContact NE-OE1 3.29Å; R422-E426 IonicContact NH2-OE1 3.98Å; R422-E426 WeakPolarHBondContact O-CB 3.44Å; R422-E426 PolarHBondContact O-N 2.89Å; E426-S428 PolarHBondContact O-N 2.84Å; E426-S429 PolarHBondContact O-N 2.81Å; E426-S429 VanDerWaalsContact O-N 3.16Å; E426-L430 HydrophobicContact CB-CD1 4.22Å; E426-L430 WeakPolarHBondContact O-CG 3.31Å; E426-L430 PolarHBondContact O-N 3.29Å
427S93.2Very high92.5Very high0 Ų077.1 Ų77.10%039%0.389CS..Hα-helixtrans-52.7-51.4-176550000112.6V423 S424 S429 L430 L431 G491V423-S427 WeakPolarHBondContact O-CB 3.19Å; V423-S427 PolarHBondContact O-N 2.94Å; V423-S427 PolarHBondContact O-OG 3.4Å; S424-S427 PolarHBondContact O-OG 3.44Å; S427-S429 VanDerWaalsContact C-N 3.32Å; S427-S429 PolarHBondContact O-N 3.21Å; S427-L430 PolarHBondContact O-N 3.12Å; S427-L430 VanDerWaalsContact O-N 3.16Å; S427-L431 WeakPolarHBondContact O-CB 3.35Å; S427-L431 WeakPolarHBondContact O-CD1 3.39Å; S427-L431 PolarHBondContact O-N 3.44Å; S427-G491 WeakPolarHBondContact OG-CA 3.41Å; S427-G491 PolarHBondContact OG-N 2.82Å
428S92.7Very high93Very high52 Ų5272.6 Ų72.636%0.36436%0.357SS..Hα-helixtrans-55.6-43.6179.9-58.20000113.2E426 L431 A432 G491E426-S428 PolarHBondContact O-N 2.84Å; S428-L431 PolarHBondContact O-N 3.43Å; S428-A432 WeakPolarHBondContact O-CB 3.33Å; S428-A432 PolarHBondContact O-N 2.91Å; S428-G491 WeakPolarHBondContact OG-CA 3.34Å
429S94.5Very high93.3Very high73 Ų7370.3 Ų70.351%0.5135%0.348SS..Hα-helixtrans-68.4-42.5178.4179.70000111.7E426 S427 L431 A432 R433E426-S429 PolarHBondContact O-N 2.81Å; E426-S429 VanDerWaalsContact O-N 3.16Å; S427-S429 VanDerWaalsContact C-N 3.32Å; S427-S429 PolarHBondContact O-N 3.21Å; S429-L431 VanDerWaalsContact C-N 3.34Å; S429-L431 PolarHBondContact O-N 3.42Å; S429-A432 PolarHBondContact O-N 2.99Å; S429-R433 WeakPolarHBondContact O-CG 2.99Å; S429-R433 PolarHBondContact O-N 3.32Å; S429-R433 VanDerWaalsContact O-N 3.16Å
430L94.9Very high93.7Very high24 Ų2469.7 Ų69.713%0.12635%0.345CS..Hα-helixtrans-64.5-38.8176.7-68.8172.7000112.1L303 L306 L307 E426 S427 R433 K434 L437L303-L430 HydrophobicContact CD1-CD1 3.85Å; L306-L430 HydrophobicContact CB-CD1 4.21Å; L306-L430 HydrophobicContact CB-CD2 4.32Å; L307-L430 HydrophobicContact CD2-CD1 3.8Å; L307-L430 HydrophobicContact CG-CD1 4.34Å; E426-L430 HydrophobicContact CB-CD1 4.22Å; E426-L430 WeakPolarHBondContact O-CG 3.31Å; E426-L430 PolarHBondContact O-N 3.29Å; S427-L430 PolarHBondContact O-N 3.12Å; S427-L430 VanDerWaalsContact O-N 3.16Å; L430-R433 PolarHBondContact O-N 3.35Å; L430-K434 PolarHBondContact O-N 3.19Å; L430-K434 VanDerWaalsContact O-N 3.09Å; L430-L437 HydrophobicContact CB-CD2 3.96Å
431L94.3Very high94.1Very high6 Ų665.5 Ų65.53%0.03133%0.326CS..Hα-helixtrans-66.3-43.3176.8-92.474000111.4Y299 S427 S428 S429 R433 K434 L437 T438 A441 L490 G491 L492Y299-L431 HydrophobicContact CE2-CD1 4.2Å; S427-L431 WeakPolarHBondContact O-CB 3.35Å; S427-L431 WeakPolarHBondContact O-CD1 3.39Å; S427-L431 PolarHBondContact O-N 3.44Å; S428-L431 PolarHBondContact O-N 3.43Å; S429-L431 VanDerWaalsContact C-N 3.34Å; S429-L431 PolarHBondContact O-N 3.42Å; L431-R433 PolarHBondContact O-N 2.66Å; L431-K434 CarbonylContact O-C 3.23Å; L431-K434 PolarHBondContact O-N 2.64Å; L431-K434 VanDerWaalsContact O-O 3.11Å; L431-L437 HydrophobicContact CD1-CD2 3.64Å; L431-L437 HydrophobicContact CD1-CG 3.77Å; L431-L437 HydrophobicContact CG-CD2 4.34Å; L431-L437 HydrophobicContact CG-CG 4.2Å; L431-T438 VanDerWaalsContact C-OG1 3.3Å; L431-T438 WeakPolarHBondContact CA-OG1 3.35Å; L431-T438 VanDerWaalsContact CB-OG1 3.31Å; L431-T438 WeakPolarHBondContact CB-OG1 3.47Å; L431-T438 PolarHBondContact O-OG1 3.05Å; L431-A441 HydrophobicContact CD2-CB 3.64Å; L431-A441 HydrophobicContact CG-CB 4.48Å; L431-L490 WeakPolarHBondContact CD2-O 3.09Å; L431-G491 WeakPolarHBondContact CD2-O 3.41Å; L431-L492 HydrophobicContact CD2-CD2 3.89Å; L431-L492 HydrophobicContact CD2-CG 4.43Å
432A92.6Very high94.4Very high91 Ų9167 Ų6775%0.75233%0.332SS*.Hα-helixtrans-59.6-34.6175.800000112.3S428 S429S428-A432 WeakPolarHBondContact O-CB 3.33Å; S428-A432 PolarHBondContact O-N 2.91Å; S429-A432 PolarHBondContact O-N 2.99Å
433R93.4Very high94.6Very high201 Ų20166.3 Ų66.376%0.75834%0.335SS*.Hα-helixtrans-79.7-24.3177.6-68.417666.3178.93.1114.2S429 L430 L431S429-R433 WeakPolarHBondContact O-CG 2.99Å; S429-R433 PolarHBondContact O-N 3.32Å; S429-R433 VanDerWaalsContact O-N 3.16Å; L430-R433 PolarHBondContact O-N 3.35Å; L431-R433 PolarHBondContact O-N 2.66Å
434K94Very high94.8Very high108 Ų10866.4 Ų66.447%0.4734%0.335SS..  trans-133102.7-174.2-68.4-167.2174.3-167.50111.7L306 L430 L431 E436 L437 T438L306-K434 HydrophobicContact CD1-CD 4.02Å; L306-K434 HydrophobicContact CD2-CD 4.24Å; L306-K434 VanDerWaalsContact CD2-NZ 3.29Å; L430-K434 PolarHBondContact O-N 3.19Å; L430-K434 VanDerWaalsContact O-N 3.09Å; L431-K434 CarbonylContact O-C 3.23Å; L431-K434 PolarHBondContact O-N 2.64Å; L431-K434 VanDerWaalsContact O-O 3.11Å; K434-E436 VanDerWaalsContact C-N 3.29Å; K434-E436 PolarHBondContact O-N 3.04Å; K434-L437 HydrophobicContact CB-CB 4.01Å; K434-L437 WeakPolarHBondContact O-CB 3.28Å; K434-L437 PolarHBondContact O-N 3.3Å; K434-L437 VanDerWaalsContact O-N 3.1Å; K434-T438 PolarHBondContact O-N 2.99Å; K434-T438 VanDerWaalsContact O-N 3.16Å
435L92.8Very high95.1Very high120 Ų12065 Ų6563%0.62833%0.325SS*.Hα-helixtrans-56.6-40.9179.6-178.962000112.9L437 T438 Q439L435-L437 VanDerWaalsContact C-N 3.3Å; L435-L437 PolarHBondContact O-N 3.33Å; L435-T438 WeakPolarHBondContact O-CB 3.32Å; L435-T438 PolarHBondContact O-N 2.96Å; L435-T438 VanDerWaalsContact O-N 3.16Å; L435-Q439 WeakPolarHBondContact O-CG 3.48Å; L435-Q439 PolarHBondContact O-N 3.16Å
436E94.6Very high95.2Very high145 Ų14559.1 Ų59.168%0.67830%0.302SS*.Hα-helixtrans-60.9-39.4178.6-61.2-170.8157.800112.3K434 T438 Q439 S440K434-E436 VanDerWaalsContact C-N 3.29Å; K434-E436 PolarHBondContact O-N 3.04Å; E436-T438 VanDerWaalsContact C-N 3.35Å; E436-Q439 PolarHBondContact O-N 2.68Å; E436-S440 WeakPolarHBondContact O-CB 3.33Å; E436-S440 PolarHBondContact O-N 3.21Å
437L96.2Very high95.4Very high6 Ų656.9 Ų56.93%0.03130%0.296CS..Hα-helixtrans-67.4-38.6176.6-175.267.1000110.9Y299 E302 L303 L306 L430 L431 K434 L435 S440 A441Y299-L437 HydrophobicContact CD2-CD1 4Å; Y299-L437 HydrophobicContact CE2-CD1 4.04Å; Y299-L437 HydrophobicContact CE2-CG 4.39Å; E302-L437 HydrophobicContact CB-CD1 3.8Å; L303-L437 HydrophobicContact CB-CD1 4.39Å; L303-L437 HydrophobicContact CD1-CD2 4.28Å; L306-L437 HydrophobicContact CD1-CD2 3.63Å; L430-L437 HydrophobicContact CB-CD2 3.96Å; L431-L437 HydrophobicContact CD1-CD2 3.64Å; L431-L437 HydrophobicContact CD1-CG 3.77Å; L431-L437 HydrophobicContact CG-CD2 4.34Å; L431-L437 HydrophobicContact CG-CG 4.2Å; K434-L437 HydrophobicContact CB-CB 4.01Å; K434-L437 WeakPolarHBondContact O-CB 3.28Å; K434-L437 PolarHBondContact O-N 3.3Å; K434-L437 VanDerWaalsContact O-N 3.1Å; L435-L437 VanDerWaalsContact C-N 3.3Å; L435-L437 PolarHBondContact O-N 3.33Å; L437-S440 WeakPolarHBondContact O-CB 3.26Å; L437-S440 PolarHBondContact O-N 2.69Å; L437-A441 WeakPolarHBondContact O-CB 3.3Å; L437-A441 PolarHBondContact O-N 3.26Å
438T96.1Very high95.5Very high21 Ų2157.1 Ų57.113%0.12930%0.297CS..Hα-helixtrans-60.5-44.8173.3-66.30000111.7L431 K434 L435 E436 S440 A441 R442 L492L431-T438 VanDerWaalsContact C-OG1 3.3Å; L431-T438 WeakPolarHBondContact CA-OG1 3.35Å; L431-T438 VanDerWaalsContact CB-OG1 3.31Å; L431-T438 WeakPolarHBondContact CB-OG1 3.47Å; L431-T438 PolarHBondContact O-OG1 3.05Å; K434-T438 PolarHBondContact O-N 2.99Å; K434-T438 VanDerWaalsContact O-N 3.16Å; L435-T438 WeakPolarHBondContact O-CB 3.32Å; L435-T438 PolarHBondContact O-N 2.96Å; L435-T438 VanDerWaalsContact O-N 3.16Å; E436-T438 VanDerWaalsContact C-N 3.35Å; T438-S440 VanDerWaalsContact C-N 3.33Å; T438-S440 PolarHBondContact O-N 3.41Å; T438-A441 PolarHBondContact O-N 3.07Å; T438-R442 WeakPolarHBondContact O-CG 3.38Å; T438-R442 PolarHBondContact O-N 2.91Å; T438-L492 HydrophobicContact CG2-CD2 4.49Å
439Q95.9Very high95.7Very high104 Ų10454.6 Ų54.649%0.48628%0.279SS..Hα-helixtrans-62.9-42175.1-67.5178300111.5L435 E436 A441 R442 L443L435-Q439 WeakPolarHBondContact O-CG 3.48Å; L435-Q439 PolarHBondContact O-N 3.16Å; E436-Q439 PolarHBondContact O-N 2.68Å; Q439-A441 PolarHBondContact O-N 3.16Å; Q439-R442 PolarHBondContact O-N 3.38Å; Q439-L443 WeakPolarHBondContact O-CB 3.46Å; Q439-L443 VanDerWaalsContact O-CG 3.28Å; Q439-L443 WeakPolarHBondContact O-CG 3.47Å; Q439-L443 PolarHBondContact O-N 3.19Å
440S97Very high95.6Very high4 Ų457.3 Ų57.33%0.02828%0.278CS..Hα-helixtrans-59.1-45.4176-163.20000111.9Y299 E302 E436 L437 T438 L443 A444Y299-S440 WeakPolarHBondContact CA-OG 3.37Å; E302-S440 WeakPolarHBondContact OE2-CB 3.3Å; E302-S440 PolarHBondContact OE2-OG 2.74Å; E436-S440 WeakPolarHBondContact O-CB 3.33Å; E436-S440 PolarHBondContact O-N 3.21Å; L437-S440 WeakPolarHBondContact O-CB 3.26Å; L437-S440 PolarHBondContact O-N 2.69Å; T438-S440 VanDerWaalsContact C-N 3.33Å; T438-S440 PolarHBondContact O-N 3.41Å; S440-L443 PolarHBondContact O-N 3.31Å; S440-A444 WeakPolarHBondContact O-CB 3.07Å; S440-A444 PolarHBondContact O-N 2.94Å
441A97.6Very high95.5Very high0 Ų057.5 Ų57.50%028%0.28CS..Hα-helixtrans-60.8-47.517600000112.2Y299 L431 L437 T438 Q439 L443 A444 F445 L492Y299-A441 VanDerWaalsContact CD2-CA 3.47Å; Y299-A441 HydrophobicContact CD2-CB 3.67Å; Y299-A441 HydrophobicContact CE2-CB 3.38Å; Y299-A441 HydrophobicContact CG-CB 4.49Å; L431-A441 HydrophobicContact CD2-CB 3.64Å; L431-A441 HydrophobicContact CG-CB 4.48Å; L437-A441 WeakPolarHBondContact O-CB 3.3Å; L437-A441 PolarHBondContact O-N 3.26Å; T438-A441 PolarHBondContact O-N 3.07Å; Q439-A441 PolarHBondContact O-N 3.16Å; A441-L443 VanDerWaalsContact C-N 3.31Å; A441-L443 PolarHBondContact O-N 3.18Å; A441-A444 PolarHBondContact O-N 3.01Å; A441-F445 WeakPolarHBondContact O-CB 3.17Å; A441-F445 PolarHBondContact O-N 2.81Å; A441-L492 HydrophobicContact CB-CD1 4.22Å; A441-L492 HydrophobicContact CB-CD2 4.07Å; A441-L492 HydrophobicContact CB-CG 4.15Å
442R96.7Very high95.4Very high91 Ų9157.4 Ų57.434%0.34328%0.279SS..Hα-helixtrans-60.5-41.3177.5-72.6178.5178.2169.5-0.4112T438 Q439 T446 L492T438-R442 WeakPolarHBondContact O-CG 3.38Å; T438-R442 PolarHBondContact O-N 2.91Å; Q439-R442 PolarHBondContact O-N 3.38Å; R442-T446 WeakPolarHBondContact O-CB 3.43Å; R442-T446 PolarHBondContact O-N 3.04Å; R442-T446 PolarHBondContact O-OG1 3.44Å; R442-L492 HydrophobicContact CG-CD1 4.07Å; R442-L492 HydrophobicContact CG-CD2 3.72Å
443L97.1Very high95.3Very high78 Ų7853 Ų5341%0.40824%0.243SC..Hα-helixtrans-68.5-38.6176.4-70.1173.7000112K295 Q439 S440 A441 A447K295-L443 HydrophobicContact CB-CB 4.34Å; K295-L443 HydrophobicContact CD-CB 4.04Å; K295-L443 HydrophobicContact CD-CD1 4.39Å; K295-L443 HydrophobicContact CG-CB 4.21Å; Q439-L443 WeakPolarHBondContact O-CB 3.46Å; Q439-L443 VanDerWaalsContact O-CG 3.28Å; Q439-L443 WeakPolarHBondContact O-CG 3.47Å; Q439-L443 PolarHBondContact O-N 3.19Å; S440-L443 PolarHBondContact O-N 3.31Å; A441-L443 VanDerWaalsContact C-N 3.31Å; A441-L443 PolarHBondContact O-N 3.18Å; L443-A447 WeakPolarHBondContact O-CB 3.4Å; L443-A447 PolarHBondContact O-N 3.23Å
444A97.7Very high94.9Very high1 Ų147.9 Ų47.91%0.00823%0.23CC..Hα-helixtrans-64.8-47175.700000111.6K295 Q296 Y299 S440 A441 A447 Y448K295-A444 HydrophobicContact CB-CB 4.45Å; Q296-A444 HydrophobicContact CG-CB 4.31Å; Y299-A444 HydrophobicContact CD1-CB 4.29Å; Y299-A444 HydrophobicContact CG-CB 4.09Å; S440-A444 WeakPolarHBondContact O-CB 3.07Å; S440-A444 PolarHBondContact O-N 2.94Å; A441-A444 PolarHBondContact O-N 3.01Å; A444-A447 PolarHBondContact O-N 3.16Å; A444-Y448 WeakPolarHBondContact O-CB 3.31Å; A444-Y448 PolarHBondContact O-N 2.88Å
445F97.8Very high94.4Very high6 Ų643.5 Ų43.53%0.02621%0.211CC..Hα-helixtrans-54.6-54.5174174.4-102.7000111.5A441 A447 Y448 L449 V483 F486 A487 L490 L492 I495 L498A441-F445 WeakPolarHBondContact O-CB 3.17Å; A441-F445 PolarHBondContact O-N 2.81Å; F445-A447 PolarHBondContact O-N 2.99Å; F445-Y448 PolarHBondContact O-N 3.07Å; F445-L449 HydrophobicContact CD1-CD1 4.32Å; F445-L449 HydrophobicContact CE1-CD1 3.72Å; F445-L449 HydrophobicContact CE2-CD1 3.93Å; F445-L449 HydrophobicContact CE2-CG 4.48Å; F445-L449 HydrophobicContact CZ-CD1 3.51Å; F445-L449 HydrophobicContact CZ-CG 4.5Å; F445-L449 WeakPolarHBondContact O-CG 3.42Å; F445-L449 PolarHBondContact O-N 2.86Å; F445-L449 VanDerWaalsContact O-N 3.13Å; F445-V483 HydrophobicContact CE2-CG1 3.97Å; F445-V483 HydrophobicContact CZ-CG1 3.58Å; F445-F486 AromaticContact CD2-CD1 3.53Å; F445-F486 HydrophobicContact CD2-CD1 3.53Å; F445-F486 AromaticContact CD2-CE1 3.64Å; F445-F486 HydrophobicContact CD2-CE1 3.64Å; F445-F486 HydrophobicContact CD2-CG 4.46Å; F445-F486 AromaticContact CE2-CD1 3.7Å; F445-F486 HydrophobicContact CE2-CD1 3.7Å; F445-F486 HydrophobicContact CE2-CE1 4.24Å; F445-A487 HydrophobicContact CD2-CB 4.15Å; F445-A487 HydrophobicContact CE2-CB 3.69Å; F445-A487 HydrophobicContact CZ-CB 4.15Å; F445-L490 HydrophobicContact CB-CD1 3.7Å; F445-L490 HydrophobicContact CD2-CD1 4.1Å; F445-L490 HydrophobicContact CG-CD1 4.4Å; F445-L492 HydrophobicContact CB-CD1 4Å; F445-L492 HydrophobicContact CG-CD1 4.36Å; F445-I495 HydrophobicContact CE1-CG2 4.12Å; F445-I495 HydrophobicContact CZ-CD1 4.18Å; F445-I495 HydrophobicContact CZ-CG1 4.12Å; F445-I495 HydrophobicContact CZ-CG2 4.34Å; F445-L498 HydrophobicContact CE1-CD2 3.96Å; F445-L498 HydrophobicContact CZ-CD2 3.98Å
446T96.8Very high93.7Very high41 Ų4138.8 Ų38.825%0.25219%0.19SC..Hα-helixtrans-63.4-42.3-178.4-55.10000111.6R442 R450 P499R442-T446 WeakPolarHBondContact O-CB 3.43Å; R442-T446 PolarHBondContact O-N 3.04Å; R442-T446 PolarHBondContact O-OG1 3.44Å; T446-R450 WeakPolarHBondContact O-CB 3.33Å; T446-R450 PolarHBondContact O-N 2.9Å; T446-P499 HydrophobicContact CG2-CB 4.05Å; T446-P499 HydrophobicContact CG2-CG 4.27Å
447A96.7Very high92.4Very high22 Ų2235.5 Ų35.518%0.18217%0.171CC..Hα-helixtrans-65.7-43.7-179.900000111.9T293 K295 L443 A444 F445 R450 D451T293-A447 HydrophobicContact CG2-CB 4.09Å; K295-A447 HydrophobicContact CB-CB 3.77Å; K295-A447 HydrophobicContact CG-CB 3.89Å; L443-A447 WeakPolarHBondContact O-CB 3.4Å; L443-A447 PolarHBondContact O-N 3.23Å; A444-A447 PolarHBondContact O-N 3.16Å; F445-A447 PolarHBondContact O-N 2.99Å; A447-R450 PolarHBondContact O-N 3.26Å; A447-D451 WeakPolarHBondContact O-CB 3.38Å; A447-D451 PolarHBondContact O-N 2.99Å
448Y97Very high90.4Very high5 Ų539.9 Ų39.92%0.0219%0.187CC..Hα-helixtrans-60.7-50177.7175.3-101.6000111.6L268 A444 F445 R450 D451 Y452 L481 F486L268-Y448 HydrophobicContact CD1-CE1 3.64Å; L268-Y448 HydrophobicContact CD2-CE1 3.75Å; L268-Y448 HydrophobicContact CG-CE1 4.37Å; A444-Y448 WeakPolarHBondContact O-CB 3.31Å; A444-Y448 PolarHBondContact O-N 2.88Å; F445-Y448 PolarHBondContact O-N 3.07Å; Y448-R450 VanDerWaalsContact C-N 3.29Å; Y448-R450 PolarHBondContact O-N 3Å; Y448-D451 PolarHBondContact O-N 3.22Å; Y448-Y452 WeakPolarHBondContact O-CB 3.3Å; Y448-Y452 PolarHBondContact O-N 3.32Å; Y448-L481 HydrophobicContact CE1-CD1 4.36Å; Y448-F486 HydrophobicContact CD1-CD1 4.18Å; Y448-F486 AromaticContact CD1-CE1 3.38Å; Y448-F486 HydrophobicContact CD1-CE1 3.38Å; Y448-F486 AromaticContact CD1-CZ 3.61Å; Y448-F486 HydrophobicContact CD1-CZ 3.61Å; Y448-F486 HydrophobicContact CE1-CE1 4.11Å; Y448-F486 HydrophobicContact CE1-CZ 4.25Å; Y448-F486 HydrophobicContact CG-CE1 4.07Å; Y448-F486 AromaticContact CG-CZ 3.98Å; Y448-F486 HydrophobicContact CG-CZ 3.98Å
449L95.9Very high87.7Confident0 Ų044.6 Ų44.60%021%0.212CC..Hα-helixtrans-59.6-41.9178.3-68.3-177000111.7F445 C453 L481 V483 L498 P499 F502F445-L449 HydrophobicContact CD1-CD1 4.32Å; F445-L449 HydrophobicContact CE1-CD1 3.72Å; F445-L449 HydrophobicContact CE2-CD1 3.93Å; F445-L449 HydrophobicContact CE2-CG 4.48Å; F445-L449 HydrophobicContact CZ-CD1 3.51Å; F445-L449 HydrophobicContact CZ-CG 4.5Å; F445-L449 WeakPolarHBondContact O-CG 3.42Å; F445-L449 PolarHBondContact O-N 2.86Å; F445-L449 VanDerWaalsContact O-N 3.13Å; L449-C453 WeakPolarHBondContact O-CB 3.25Å; L449-C453 PolarHBondContact O-N 2.86Å; L449-C453 PolarHBondContact O-SG 3.12Å; L449-L481 HydrophobicContact CD2-CD1 3.81Å; L449-V483 HydrophobicContact CD1-CG1 4.09Å; L449-V483 HydrophobicContact CD2-CG2 4.46Å; L449-L498 HydrophobicContact CD1-CD2 3.76Å; L449-P499 HydrophobicContact CB-CG 3.82Å; L449-P499 HydrophobicContact CD1-CG 4.48Å; L449-F502 HydrophobicContact CB-CD2 4.28Å; L449-F502 HydrophobicContact CD2-CD2 4.22Å; L449-F502 HydrophobicContact CD2-CE2 4.17Å
450R93.4Very high84.9Confident129 Ų12941.2 Ų41.249%0.48720%0.198SC..Hα-helixtrans-62.6-46.4177-170.8-179.4-166.3-1763.5111.6T446 A447 Y448 C453 L454 P499 E501T446-R450 WeakPolarHBondContact O-CB 3.33Å; T446-R450 PolarHBondContact O-N 2.9Å; A447-R450 PolarHBondContact O-N 3.26Å; Y448-R450 VanDerWaalsContact C-N 3.29Å; Y448-R450 PolarHBondContact O-N 3Å; R450-C453 WeakPolarHBondContact O-CB 3.48Å; R450-C453 PolarHBondContact O-N 2.61Å; R450-L454 HydrophobicContact CG-CD1 4.45Å; R450-L454 WeakPolarHBondContact O-CG 3.47Å; R450-L454 PolarHBondContact O-N 3.18Å; R450-P499 HydrophobicContact CB-CB 4.38Å; R450-E501 HydrophobicContact CG-CG 4.45Å; R450-E501 IonicContact CZ-OE1 2.8Å; R450-E501 IonicContact NE-OE1 3.97Å; R450-E501 PolarHBondContact NE-OE1 3.28Å; R450-E501 IonicContact NE-OE2 3.13Å; R450-E501 IonicContact NH2-OE1 3.93Å; R450-E501 PolarHBondContact NH2-OE1 3.27Å
451D92.1Very high82Confident29 Ų2945 Ų4516%0.15522%0.222CC..Hα-helixtrans-63-46179.6-169.374.9000111.5S292 T293 H366 A447 Y448 C453 L454 M455S292-D451 VanDerWaalsContact CB-OD2 3.29Å; S292-D451 WeakPolarHBondContact CB-OD2 3.42Å; T293-D451 HydrophobicContact CG2-CB 3.58Å; H366-D451 IonicContact CE1-OD1 3.34Å; H366-D451 IonicContact CE1-OD2 2.96Å; H366-D451 PolarHBondContact CE1-OD2 2.86Å; H366-D451 VanDerWaalsContact NE2-CG 3.34Å; H366-D451 IonicContact NE2-OD1 2.87Å; H366-D451 PolarHBondContact NE2-OD1 2.99Å; H366-D451 VanDerWaalsContact NE2-OD1 3.09Å; H366-D451 IonicContact NE2-OD2 3Å; H366-D451 PolarHBondContact NE2-OD2 2.63Å; A447-D451 WeakPolarHBondContact O-CB 3.38Å; A447-D451 PolarHBondContact O-N 2.99Å; Y448-D451 PolarHBondContact O-N 3.22Å; D451-C453 VanDerWaalsContact C-N 3.3Å; D451-C453 PolarHBondContact O-N 3.47Å; D451-L454 WeakPolarHBondContact O-CB 3.39Å; D451-L454 PolarHBondContact O-N 3.35Å; D451-M455 WeakPolarHBondContact O-CG 3.32Å; D451-M455 PolarHBondContact O-N 3.43Å
452Y92.2Very high79.3Confident3 Ų354.1 Ų54.11%0.01226%0.261CS..Hα-helixtrans-58.5-41.8174.9-162.4-81.1000112.2L392 E395 Y448 L454 M455 A456 F476 L481L392-Y452 HydrophobicContact CD1-CE2 4.02Å; E395-Y452 WeakPolarHBondContact OE1-CE2 2.96Å; Y448-Y452 WeakPolarHBondContact O-CB 3.3Å; Y448-Y452 PolarHBondContact O-N 3.32Å; Y452-L454 VanDerWaalsContact C-N 3.32Å; Y452-L454 PolarHBondContact O-N 2.68Å; Y452-M455 PolarHBondContact O-N 2.81Å; Y452-A456 PolarHBondContact O-N 3.36Å; Y452-F476 HydrophobicContact CD2-CD1 4.39Å; Y452-F476 HydrophobicContact CE1-CB 4.06Å; Y452-F476 AromaticContact CE2-CD1 3.82Å; Y452-F476 HydrophobicContact CE2-CD1 3.82Å; Y452-F476 AromaticContact CZ-CD1 3.86Å; Y452-L481 HydrophobicContact CD1-CD1 3.61Å; Y452-L481 HydrophobicContact CD1-CD2 4.35Å; Y452-L481 HydrophobicContact CD1-CG 4.09Å; Y452-L481 HydrophobicContact CD2-CD1 4.16Å; Y452-L481 HydrophobicContact CD2-CD2 4.21Å; Y452-L481 HydrophobicContact CE1-CD1 4Å; Y452-L481 HydrophobicContact CE1-CD2 3.95Å; Y452-L481 HydrophobicContact CE1-CG 3.94Å; Y452-L481 HydrophobicContact CE2-CD1 4.49Å; Y452-L481 HydrophobicContact CE2-CD2 3.79Å; Y452-L481 HydrophobicContact CG-CD1 3.71Å; Y452-L481 HydrophobicContact CG-CD2 4.48Å; Y452-L481 HydrophobicContact CG-CG 4.47Å
453C90.3Very high76.6Confident0 Ų058 Ų580%028%0.283CS..Hα-helixtrans-63.3-37.3174.7-69.10000112.4L449 R450 D451 M455 A456 R457 E501 F502 L505L449-C453 WeakPolarHBondContact O-CB 3.25Å; L449-C453 PolarHBondContact O-N 2.86Å; L449-C453 PolarHBondContact O-SG 3.12Å; R450-C453 WeakPolarHBondContact O-CB 3.48Å; R450-C453 PolarHBondContact O-N 2.61Å; D451-C453 VanDerWaalsContact C-N 3.3Å; D451-C453 PolarHBondContact O-N 3.47Å; C453-M455 VanDerWaalsContact C-N 3.33Å; C453-A456 PolarHBondContact O-N 3.27Å; C453-R457 WeakPolarHBondContact O-CB 3.34Å; C453-R457 VanDerWaalsContact O-CG 3.25Å; C453-R457 WeakPolarHBondContact O-CG 3.39Å; C453-R457 PolarHBondContact O-N 3.44Å; C453-E501 HydrophobicContact CB-CB 4.13Å; C453-F502 VanDerWaalsContact SG-CA 3.53Å; C453-F502 VanDerWaalsContact SG-CD2 3.54Å; C453-L505 HydrophobicContact CB-CD1 3.72Å
454L84.9Confident74Confident93 Ų9358.4 Ų58.449%0.48728%0.283SS..Hα-helixtrans-67.6-36.1177.2-70.3169.5000111.5R450 D451 Y452R450-L454 HydrophobicContact CG-CD1 4.45Å; R450-L454 WeakPolarHBondContact O-CG 3.47Å; R450-L454 PolarHBondContact O-N 3.18Å; D451-L454 WeakPolarHBondContact O-CB 3.39Å; D451-L454 PolarHBondContact O-N 3.35Å; Y452-L454 VanDerWaalsContact C-N 3.32Å; Y452-L454 PolarHBondContact O-N 2.68Å
455M82.9Confident71.2Confident16 Ų1665.4 Ų65.48%0.07931%0.313CS..Hα-helixtrans-65.1-43.1173-62.9171.590.300111.4C364 P365 H366 D451 Y452 C453 F476C364-M455 HydrophobicContact CB-CE 4.38Å; P365-M455 WeakPolarHBondContact O-CE 3.48Å; H366-M455 HydrophobicContact CB-CE 4.46Å; H366-M455 VanDerWaalsContact CD2-CG 3.42Å; H366-M455 WeakPolarHBondContact CD2-CG 3.42Å; D451-M455 WeakPolarHBondContact O-CG 3.32Å; D451-M455 PolarHBondContact O-N 3.43Å; Y452-M455 PolarHBondContact O-N 2.81Å; C453-M455 VanDerWaalsContact C-N 3.33Å; M455-F476 HydrophobicContact CB-CB 4.24Å; M455-F476 HydrophobicContact CB-CD1 4.42Å; M455-F476 HydrophobicContact CB-CD2 3.69Å; M455-F476 HydrophobicContact CB-CE2 4.13Å; M455-F476 HydrophobicContact CB-CG 3.85Å; M455-F476 HydrophobicContact CE-CD1 4.38Å; M455-F476 HydrophobicContact CE-CD2 4.29Å; M455-F476 HydrophobicContact CE-CE1 3.66Å; M455-F476 HydrophobicContact CE-CE2 3.52Å; M455-F476 HydrophobicContact CE-CZ 3.18Å; M455-F476 HydrophobicContact SD-CD1 4.47Å; M455-F476 HydrophobicContact SD-CE1 4.22Å; M455-F476 HydrophobicContact SD-CE2 4.5Å; M455-F476 HydrophobicContact SD-CZ 4.24Å
456A78.7Confident68.5Low21 Ų2173.8 Ų73.817%0.17435%0.353CS..Hα-helixtrans-69.2-34.9176.300000113.4Y452 C453 R458 F476Y452-A456 PolarHBondContact O-N 3.36Å; C453-A456 PolarHBondContact O-N 3.27Å; A456-R458 VanDerWaalsContact C-N 3.31Å; A456-R458 PolarHBondContact O-N 3Å; A456-F476 HydrophobicContact CB-CB 4.07Å; A456-F476 VanDerWaalsContact CB-O 3.25Å; A456-F476 WeakPolarHBondContact CB-O 3.27Å
457R68.4Low65.8Low76 Ų7677.7 Ų77.729%0.28737%0.368SS..THydrogen-bonded Turntrans-80.60.4-175.3-85.8178.2-176.8-150.4-4.2115.5C453 N459 E501 Q504 L505C453-R457 WeakPolarHBondContact O-CB 3.34Å; C453-R457 VanDerWaalsContact O-CG 3.25Å; C453-R457 WeakPolarHBondContact O-CG 3.39Å; C453-R457 PolarHBondContact O-N 3.44Å; R457-N459 PolarHBondContact O-N 2.92Å; R457-E501 PolarHBondContact NH2-O 3.14Å; R457-Q504 VanDerWaalsContact CZ-OE1 3.32Å; R457-L505 HydrophobicContact CG-CD1 3.96Å; R457-L505 HydrophobicContact CG-CD2 3.95Å; R457-L505 HydrophobicContact CG-CG 4.33Å
458R54.1Low63.2Low97 Ų9782 Ų8237%0.36638%0.384SS..  trans-71.842.4-172.7-143.9172.8172.8162.1-3.4113.3F367 A456 P460 L473F367-R458 VanDerWaalsContact CE1-CZ 3.43Å; F367-R458 VanDerWaalsContact CZ-CZ 3.5Å; A456-R458 VanDerWaalsContact C-N 3.31Å; A456-R458 PolarHBondContact O-N 3Å; R458-P460 WeakPolarHBondContact O-CD 3.22Å; R458-L473 VanDerWaalsContact C-CD1 3.46Å; R458-L473 HydrophobicContact CB-CD1 4.29Å; R458-L473 WeakPolarHBondContact O-CD1 3.38Å
459N38.6Very low60.9Low121 Ų12185.7 Ų85.765%0.64741%0.409SS*.  trans-55.3114.6153-78.8-29.7000108.2R457 T461R457-N459 PolarHBondContact O-N 2.92Å; N459-T461 PolarHBondContact O-N 2.79Å
460P37.2Very low59.2Low32 Ų3286.9 Ų86.921%0.20842%0.417CS..  trans-61.5127.2-176.921.5-30.5000110.1R458 Q464 K465R458-P460 WeakPolarHBondContact O-CD 3.22Å; P460-Q464 HydrophobicContact CB-CB 3.84Å; P460-K465 HydrophobicContact CB-CG 3.97Å; P460-K465 HydrophobicContact CG-CG 3.84Å
461T36.2Very low57.9Low84 Ų8484.1 Ų84.152%0.51541%0.41SS..  trans-55.1156161.443.90000109.3N459 Q463 Q464 K465N459-T461 PolarHBondContact O-N 2.79Å; T461-Q463 PolarHBondContact O-N 3.46Å; T461-Q464 CarbonylContact O-C 3.53Å; T461-Q464 WeakPolarHBondContact O-CA 3.36Å; T461-Q464 PolarHBondContact O-N 2.86Å; T461-Q464 WeakPolarHBondContact OG1-CG 3.14Å; T461-K465 PolarHBondContact O-N 3.05Å
462K40.6Very low57Low192 Ų19283 Ų8384%0.83540%0.404SS*.THydrogen-bonded Turntrans-50.5-32.1-177.2-74.4-174.8177.7-178.50113.7
463Q40.3Very low55.9Low171 Ų17185 Ų8580%0.79941%0.414SS*.THydrogen-bonded Turntrans-75.2-33.2175-67.9179.6-2.500112.9T461T461-Q463 PolarHBondContact O-N 3.46Å
464Q42.5Very low55.2Low87 Ų8791.5 Ų91.541%0.40745%0.449SS..G310 helixtrans-81.2-13.5177.1-69.517811.900113.6P460 T461 Q466 Q467P460-Q464 HydrophobicContact CB-CB 3.84Å; T461-Q464 CarbonylContact O-C 3.53Å; T461-Q464 WeakPolarHBondContact O-CA 3.36Å; T461-Q464 PolarHBondContact O-N 2.86Å; T461-Q464 WeakPolarHBondContact OG1-CG 3.14Å; Q464-Q466 PolarHBondContact O-N 3.17Å; Q464-Q466 VanDerWaalsContact O-N 3.09Å; Q464-Q467 CarbonylContact O-C 3.53Å; Q464-Q467 WeakPolarHBondContact O-CA 3.22Å; Q464-Q467 PolarHBondContact O-N 3.45Å
465K37.9Very low55.3Low148 Ų14887.2 Ų87.264%0.64343%0.427SS*.G310 helixtrans-59.2-20.5173.5-79.1-172.1175.8-170.60113.3P460 T461 Q467P460-K465 HydrophobicContact CB-CG 3.97Å; P460-K465 HydrophobicContact CG-CG 3.84Å; T461-K465 PolarHBondContact O-N 3.05Å; K465-Q467 VanDerWaalsContact C-N 3.34Å
466Q41.6Very low55.6Low183 Ų18387 Ų8786%0.85543%0.425SS*.G310 helixtrans-79.8-17.2173.7-65.1-177.111.200113Q464Q464-Q466 PolarHBondContact O-N 3.17Å; Q464-Q466 VanDerWaalsContact O-N 3.09Å
467Q40.1Very low56.1Low123 Ų12389 Ų8958%0.57543%0.433SS*.SBendtrans-98.7133.6172.2-63.2178.119.500107.5Q464 K465Q464-Q467 CarbonylContact O-C 3.53Å; Q464-Q467 WeakPolarHBondContact O-CA 3.22Å; Q464-Q467 PolarHBondContact O-N 3.45Å; K465-Q467 VanDerWaalsContact C-N 3.34Å
468Q42.6Very low57Low112 Ų11285.5 Ų85.552%0.52342%0.421SS..PPolyproline II helixtrans-48.7131.4-171.2-71.7-172.477.200111.4S470Q468-S470 PolarHBondContact O-N 3.37Å
469P49.4Very low58.7Low82 Ų8287.9 Ų87.953%0.53243%0.434SS..PPolyproline II helixtrans-50.8133.5171.2-20.529.2000108.7E471P469-E471 PolarHBondContact O-N 3.08Å
470S58.5Low61.2Low26 Ų2686.2 Ų86.218%0.18243%0.425CS..PPolyproline II helixtrans-57.6120.6176.8580000108Q468 L472 L473Q468-S470 PolarHBondContact O-N 3.37Å; S470-L472 PolarHBondContact O-N 2.87Å; S470-L473 WeakPolarHBondContact O-CB 3.26Å; S470-L473 PolarHBondContact O-N 3.06Å
471E67.8Low63.9Low71 Ų7185.2 Ų85.233%0.33242%0.418SS..G310 helixtrans-55.6-18.3-179.1-61.5-167.3-177.500112.4K251 I401 H405 P469 L473K251-E471 IonicContact NZ-OE1 3.94Å; K251-E471 PolarHBondContact NZ-OE1 3.32Å; I401-E471 VanDerWaalsContact CD1-O 3.3Å; I401-E471 WeakPolarHBondContact CD1-O 3.1Å; I401-E471 HydrophobicContact CG2-CB 4.15Å; H405-E471 IonicContact CE1-OE1 3.91Å; H405-E471 IonicContact CE1-OE2 3.58Å; H405-E471 PolarHBondContact CE1-OE2 2.96Å; H405-E471 IonicContact NE2-OE1 3.62Å; H405-E471 IonicContact NE2-OE2 2.98Å; P469-E471 PolarHBondContact O-N 3.08Å; E471-L473 VanDerWaalsContact C-N 3.34Å; E471-L473 PolarHBondContact O-N 3.41Å
472L71.9Confident66.6Low4 Ų483.2 Ų83.22%0.02141%0.407CS..G310 helixtrans-77.8-2.2177-59.9173.1000115.7H366 L398 I401 S470 N474 V475 F476H366-L472 VanDerWaalsContact O-CD1 3.29Å; H366-L472 WeakPolarHBondContact O-CD1 3.32Å; L398-L472 HydrophobicContact CD1-CD2 3.27Å; I401-L472 HydrophobicContact CD1-CD2 4.02Å; I401-L472 HydrophobicContact CG2-CD2 4.43Å; S470-L472 PolarHBondContact O-N 2.87Å; L472-N474 PolarHBondContact O-N 3.01Å; L472-N474 VanDerWaalsContact O-N 3.13Å; L472-V475 HydrophobicContact CD2-CG2 4.12Å; L472-V475 WeakPolarHBondContact O-CB 3.5Å; L472-V475 PolarHBondContact O-N 2.9Å; L472-F476 HydrophobicContact CB-CD2 4.5Å; L472-F476 HydrophobicContact CB-CE2 3.95Å
473L69.3Low69.2Low45 Ų4574.5 Ų74.524%0.23637%0.369CS..G310 helixtrans-55.6-36.3-174.3-168.472.2000112.6R458 S470 E471 V475R458-L473 VanDerWaalsContact C-CD1 3.46Å; R458-L473 HydrophobicContact CB-CD1 4.29Å; R458-L473 WeakPolarHBondContact O-CD1 3.38Å; S470-L473 WeakPolarHBondContact O-CB 3.26Å; S470-L473 PolarHBondContact O-N 3.06Å; E471-L473 VanDerWaalsContact C-N 3.34Å; E471-L473 PolarHBondContact O-N 3.41Å; L473-V475 VanDerWaalsContact C-N 3.32Å; L473-V475 PolarHBondContact O-N 2.74Å
474N76.4Confident71.7Confident137 Ų13770.5 Ų70.573%0.73335%0.351SS*.G310 helixtrans-88.85.9-178.1-62.7-12.5000113.6L472L472-N474 PolarHBondContact O-N 3.01Å; L472-N474 VanDerWaalsContact O-N 3.13Å
475V85.6Confident74.2Confident3 Ų372.1 Ų72.12%0.01836%0.356CS..THydrogen-bonded Turntrans-91.1-32.4-179.8178.90000111.5E395 L398 I401 L472 L473E395-V475 HydrophobicContact CB-CG1 4.05Å; E395-V475 HydrophobicContact CG-CG1 4.3Å; L398-V475 HydrophobicContact CB-CG1 4.09Å; I401-V475 HydrophobicContact CD1-CG2 3.45Å; I401-V475 VanDerWaalsContact CD1-CG2 3.45Å; L472-V475 HydrophobicContact CD2-CG2 4.12Å; L472-V475 WeakPolarHBondContact O-CB 3.5Å; L472-V475 PolarHBondContact O-N 2.9Å; L473-V475 VanDerWaalsContact C-N 3.32Å; L473-V475 PolarHBondContact O-N 2.74Å
476F89.6Confident77Confident11 Ų1165.7 Ų65.75%0.04833%0.329CS..  trans-109.8118.7-170.8-56-72.4000111.4C364 E395 Y452 M455 A456 L472C364-F476 HydrophobicContact CB-CE1 3.68Å; C364-F476 HydrophobicContact CB-CZ 3.67Å; E395-F476 HydrophobicContact CG-CD1 4.32Å; E395-F476 HydrophobicContact CG-CE1 4.24Å; E395-F476 WeakPolarHBondContact OE1-CE1 3.48Å; Y452-F476 HydrophobicContact CD2-CD1 4.39Å; Y452-F476 HydrophobicContact CE1-CB 4.06Å; Y452-F476 AromaticContact CE2-CD1 3.82Å; Y452-F476 HydrophobicContact CE2-CD1 3.82Å; Y452-F476 AromaticContact CZ-CD1 3.86Å; M455-F476 HydrophobicContact CB-CB 4.24Å; M455-F476 HydrophobicContact CB-CD1 4.42Å; M455-F476 HydrophobicContact CB-CD2 3.69Å; M455-F476 HydrophobicContact CB-CE2 4.13Å; M455-F476 HydrophobicContact CB-CG 3.85Å; M455-F476 HydrophobicContact CE-CD1 4.38Å; M455-F476 HydrophobicContact CE-CD2 4.29Å; M455-F476 HydrophobicContact CE-CE1 3.66Å; M455-F476 HydrophobicContact CE-CE2 3.52Å; M455-F476 HydrophobicContact CE-CZ 3.18Å; M455-F476 HydrophobicContact SD-CD1 4.47Å; M455-F476 HydrophobicContact SD-CE1 4.22Å; M455-F476 HydrophobicContact SD-CE2 4.5Å; M455-F476 HydrophobicContact SD-CZ 4.24Å; A456-F476 HydrophobicContact CB-CB 4.07Å; A456-F476 VanDerWaalsContact CB-O 3.25Å; A456-F476 WeakPolarHBondContact CB-O 3.27Å; L472-F476 HydrophobicContact CB-CD2 4.5Å; L472-F476 HydrophobicContact CB-CE2 3.95Å
477N89.6Confident79.6Confident63 Ų6357 Ų5734%0.33729%0.288SS..  trans-131.2112.7175.7175.313.5000110.3K479 D480N477-K479 PolarHBondContact O-N 3.48Å; N477-K479 VanDerWaalsContact O-N 3.16Å; N477-K479 WeakPolarHBondContact OD1-CB 3.5Å; N477-K479 PolarHBondContact OD1-N 2.88Å; N477-K479 VanDerWaalsContact OD1-N 3.1Å; N477-D480 VanDerWaalsContact CB-OD2 3.3Å; N477-D480 WeakPolarHBondContact CB-OD2 3.48Å; N477-D480 PolarHBondContact ND2-OD1 2.93Å; N477-D480 VanDerWaalsContact ND2-OD1 3.14Å; N477-D480 PolarHBondContact ND2-OD2 3.18Å; N477-D480 PolarHBondContact O-N 2.98Å; N477-D480 VanDerWaalsContact O-N 3.09Å
478A88.3Confident82.2Confident4 Ų455 Ų553%0.03328%0.281CS..G310 helixtrans-61.2-25.5-176.500000113.2D480 L481 F502 L505 V506A478-D480 PolarHBondContact O-N 3.04Å; A478-L481 PolarHBondContact O-N 2.93Å; A478-F502 HydrophobicContact CB-CD2 4.31Å; A478-F502 HydrophobicContact CB-CE2 4.02Å; A478-L505 HydrophobicContact CB-CB 4.21Å; A478-L505 HydrophobicContact CB-CD1 3.88Å; A478-V506 HydrophobicContact CB-CG2 4.04Å
479K89.3Confident84.7Confident146 Ų14650.1 Ų50.164%0.63526%0.26SS*.G310 helixtrans-68.8-22.8178.4-65.5-179.6178.3-176.90113.1N477 L481 V506N477-K479 PolarHBondContact O-N 3.48Å; N477-K479 VanDerWaalsContact O-N 3.16Å; N477-K479 WeakPolarHBondContact OD1-CB 3.5Å; N477-K479 PolarHBondContact OD1-N 2.88Å; N477-K479 VanDerWaalsContact OD1-N 3.1Å; K479-L481 VanDerWaalsContact C-N 3.29Å; K479-L481 PolarHBondContact O-N 3.48Å; K479-V506 HydrophobicContact CG-CG2 3.88Å
480D91Very high86.9Confident87 Ų8746.5 Ų46.547%0.46524%0.236SC..G310 helixtrans-85.8-3.2-177.4-59.1-23.7000112.4N477 A478 P482N477-D480 VanDerWaalsContact CB-OD2 3.3Å; N477-D480 WeakPolarHBondContact CB-OD2 3.48Å; N477-D480 PolarHBondContact ND2-OD1 2.93Å; N477-D480 VanDerWaalsContact ND2-OD1 3.14Å; N477-D480 PolarHBondContact ND2-OD2 3.18Å; N477-D480 PolarHBondContact O-N 2.98Å; N477-D480 VanDerWaalsContact O-N 3.09Å; A478-D480 PolarHBondContact O-N 3.04Å; D480-P482 WeakPolarHBondContact O-CD 3.3Å
481L93Very high88.7Confident11 Ų1145.5 Ų45.56%0.05823%0.229CC..  trans-79.8125.3-178.8-66-169.6000111.9L268 L392 Y448 L449 Y452 A478 K479 V483 F502L268-L481 HydrophobicContact CD2-CD2 4.13Å; L392-L481 HydrophobicContact CD1-CD2 3.48Å; L392-L481 VanDerWaalsContact CD1-CD2 3.48Å; Y448-L481 HydrophobicContact CE1-CD1 4.36Å; L449-L481 HydrophobicContact CD2-CD1 3.81Å; Y452-L481 HydrophobicContact CD1-CD1 3.61Å; Y452-L481 HydrophobicContact CD1-CD2 4.35Å; Y452-L481 HydrophobicContact CD1-CG 4.09Å; Y452-L481 HydrophobicContact CD2-CD1 4.16Å; Y452-L481 HydrophobicContact CD2-CD2 4.21Å; Y452-L481 HydrophobicContact CE1-CD1 4Å; Y452-L481 HydrophobicContact CE1-CD2 3.95Å; Y452-L481 HydrophobicContact CE1-CG 3.94Å; Y452-L481 HydrophobicContact CE2-CD1 4.49Å; Y452-L481 HydrophobicContact CE2-CD2 3.79Å; Y452-L481 HydrophobicContact CG-CD1 3.71Å; Y452-L481 HydrophobicContact CG-CD2 4.48Å; Y452-L481 HydrophobicContact CG-CG 4.47Å; A478-L481 PolarHBondContact O-N 2.93Å; K479-L481 VanDerWaalsContact C-N 3.29Å; K479-L481 PolarHBondContact O-N 3.48Å; L481-V483 VanDerWaalsContact C-N 3.27Å; L481-V483 HydrophobicContact CB-CG2 4.34Å; L481-V483 WeakPolarHBondContact O-CG2 3.07Å; L481-V483 PolarHBondContact O-N 3.22Å; L481-F502 HydrophobicContact CD1-CE2 4.31Å
482P93.9Very high90Very high42 Ų4242.6 Ų42.627%0.27322%0.216SC..  trans-79.674175.833.8-36.3000111L268 D480 E484 K485 F486L268-P482 HydrophobicContact CB-CG 3.99Å; D480-P482 WeakPolarHBondContact O-CD 3.3Å; P482-E484 PolarHBondContact O-N 3.45Å; P482-K485 HydrophobicContact CB-CB 4.24Å; P482-K485 HydrophobicContact CB-CD 4.25Å; P482-K485 HydrophobicContact CB-CG 4.45Å; P482-K485 PolarHBondContact O-N 2.97Å; P482-F486 WeakPolarHBondContact O-CB 3.19Å; P482-F486 PolarHBondContact O-N 2.78Å
483V94.2Very high90.8Very high9 Ų945.8 Ų45.86%0.05524%0.237CC..Hα-helixtrans-56.1-45.9-168.3-176.50000113.7F445 L449 L481 F486 A487 I495 L498 F502 L512F445-V483 HydrophobicContact CE2-CG1 3.97Å; F445-V483 HydrophobicContact CZ-CG1 3.58Å; L449-V483 HydrophobicContact CD1-CG1 4.09Å; L449-V483 HydrophobicContact CD2-CG2 4.46Å; L481-V483 VanDerWaalsContact C-N 3.27Å; L481-V483 HydrophobicContact CB-CG2 4.34Å; L481-V483 WeakPolarHBondContact O-CG2 3.07Å; L481-V483 PolarHBondContact O-N 3.22Å; V483-F486 PolarHBondContact O-N 3.21Å; V483-A487 PolarHBondContact O-N 3.24Å; V483-I495 HydrophobicContact CG1-CD1 3.84Å; V483-L498 HydrophobicContact CG1-CD2 3.87Å; V483-F502 HydrophobicContact CG2-CE1 3.81Å; V483-F502 HydrophobicContact CG2-CE2 4.04Å; V483-F502 HydrophobicContact CG2-CZ 3.32Å; V483-L512 HydrophobicContact CB-CD1 4.18Å; V483-L512 HydrophobicContact CG1-CD1 4.45Å
484E93.9Very high91.7Very high86 Ų8648.7 Ų48.740%0.40225%0.248SC..Hα-helixtrans-64.7-46.1179.4-67.2-168.4140.500112.1P482 F486 A487 N488 I495 L512P482-E484 PolarHBondContact O-N 3.45Å; E484-F486 VanDerWaalsContact C-N 3.27Å; E484-F486 PolarHBondContact O-N 3.45Å; E484-A487 PolarHBondContact O-N 3.21Å; E484-N488 PolarHBondContact O-N 2.88Å; E484-N488 PolarHBondContact O-ND2 2.92Å; E484-I495 HydrophobicContact CG-CD1 4.17Å; E484-L512 HydrophobicContact CG-CB 4.48Å; E484-L512 HydrophobicContact CG-CD1 4.23Å; E484-L512 HydrophobicContact CG-CD2 3.83Å; E484-L512 HydrophobicContact CG-CG 4.4Å; E484-L512 WeakPolarHBondContact OE1-CD2 3.26Å
485K95Very high92.3Very high122 Ų12242.7 Ų42.753%0.5322%0.216SC..Hα-helixtrans-62.4-39.4177.5-61.2-174.5178.8178.50110.8E269 P482 N488 S489E269-K485 HydrophobicContact CB-CB 3.75Å; E269-K485 WeakPolarHBondContact CB-O 3.28Å; E269-K485 HydrophobicContact CG-CB 3.98Å; E269-K485 HydrophobicContact CG-CD 4.43Å; E269-K485 WeakPolarHBondContact OE1-CD 3.5Å; P482-K485 HydrophobicContact CB-CB 4.24Å; P482-K485 HydrophobicContact CB-CD 4.25Å; P482-K485 HydrophobicContact CB-CG 4.45Å; P482-K485 PolarHBondContact O-N 2.97Å; K485-N488 PolarHBondContact O-N 3.32Å; K485-S489 PolarHBondContact O-N 3.43Å
486F96.3Very high92.4Very high13 Ų1345 Ų456%0.05723%0.232CC..Hα-helixtrans-63.1-47.9175.3178.4-131.1000111.8L268 F445 Y448 P482 V483 E484 N488 S489 L490L268-F486 HydrophobicContact CD1-CD2 3.78Å; L268-F486 HydrophobicContact CD1-CE2 3.87Å; L268-F486 HydrophobicContact CD1-CG 4.25Å; L268-F486 HydrophobicContact CD1-CZ 4.41Å; L268-F486 HydrophobicContact CD2-CB 3.66Å; L268-F486 HydrophobicContact CD2-CD1 3.94Å; L268-F486 HydrophobicContact CD2-CD2 3.98Å; L268-F486 HydrophobicContact CD2-CG 3.58Å; L268-F486 HydrophobicContact CG-CB 3.85Å; L268-F486 HydrophobicContact CG-CD1 4.41Å; L268-F486 HydrophobicContact CG-CD2 3.53Å; L268-F486 HydrophobicContact CG-CE2 4.16Å; L268-F486 HydrophobicContact CG-CG 3.67Å; F445-F486 AromaticContact CD2-CD1 3.53Å; F445-F486 HydrophobicContact CD2-CD1 3.53Å; F445-F486 AromaticContact CD2-CE1 3.64Å; F445-F486 HydrophobicContact CD2-CE1 3.64Å; F445-F486 HydrophobicContact CD2-CG 4.46Å; F445-F486 AromaticContact CE2-CD1 3.7Å; F445-F486 HydrophobicContact CE2-CD1 3.7Å; F445-F486 HydrophobicContact CE2-CE1 4.24Å; Y448-F486 HydrophobicContact CD1-CD1 4.18Å; Y448-F486 AromaticContact CD1-CE1 3.38Å; Y448-F486 HydrophobicContact CD1-CE1 3.38Å; Y448-F486 AromaticContact CD1-CZ 3.61Å; Y448-F486 HydrophobicContact CD1-CZ 3.61Å; Y448-F486 HydrophobicContact CE1-CE1 4.11Å; Y448-F486 HydrophobicContact CE1-CZ 4.25Å; Y448-F486 HydrophobicContact CG-CE1 4.07Å; Y448-F486 AromaticContact CG-CZ 3.98Å; Y448-F486 HydrophobicContact CG-CZ 3.98Å; P482-F486 WeakPolarHBondContact O-CB 3.19Å; P482-F486 PolarHBondContact O-N 2.78Å; V483-F486 PolarHBondContact O-N 3.21Å; E484-F486 VanDerWaalsContact C-N 3.27Å; E484-F486 PolarHBondContact O-N 3.45Å; F486-N488 VanDerWaalsContact C-N 3.33Å; F486-N488 PolarHBondContact O-N 2.85Å; F486-S489 PolarHBondContact O-N 2.91Å; F486-S489 VanDerWaalsContact O-N 3.15Å; F486-S489 PolarHBondContact O-OG 3.28Å; F486-L490 HydrophobicContact CD2-CD1 4.39Å; F486-L490 HydrophobicContact CD2-CG 4.36Å; F486-L490 HydrophobicContact CE1-CD1 4.05Å; F486-L490 HydrophobicContact CE2-CD1 3.87Å; F486-L490 HydrophobicContact CE2-CD2 4.01Å; F486-L490 HydrophobicContact CE2-CG 4.02Å; F486-L490 HydrophobicContact CZ-CD1 3.68Å; F486-L490 HydrophobicContact CZ-CD2 4.46Å; F486-L490 HydrophobicContact CZ-CG 4.35Å; F486-L490 WeakPolarHBondContact O-CG 3.5Å; F486-L490 PolarHBondContact O-N 3.4Å
487A95.9Very high92.5Very high1 Ų147.2 Ų47.21%0.00825%0.249CC..Hα-helixtrans-55.8-48.9175.500000111.4F445 V483 E484 S489 L490 L492 I495F445-A487 HydrophobicContact CD2-CB 4.15Å; F445-A487 HydrophobicContact CE2-CB 3.69Å; F445-A487 HydrophobicContact CZ-CB 4.15Å; V483-A487 PolarHBondContact O-N 3.24Å; E484-A487 PolarHBondContact O-N 3.21Å; A487-S489 VanDerWaalsContact C-N 3.3Å; A487-S489 PolarHBondContact O-N 2.92Å; A487-L490 PolarHBondContact O-N 2.76Å; A487-L492 CarbonylContact C-O 3.14Å; A487-L492 VanDerWaalsContact C-O 3.23Å; A487-L492 HydrophobicContact CB-CB 4.28Å; A487-L492 WeakPolarHBondContact O-CA 3.21Å; A487-L492 WeakPolarHBondContact O-CB 3.35Å; A487-L492 PolarHBondContact O-N 2.7Å; A487-I495 HydrophobicContact CB-CD1 4.14Å; A487-I495 HydrophobicContact CB-CG1 3.71Å
488N94.9Very high92.6Very high79 Ų7944.9 Ų44.942%0.42224%0.237SC..Hα-helixtrans-57.9-40.6177.1-71.4-24.8000112.3E484 K485 F486 L490 G491 L492 P493E484-N488 PolarHBondContact O-N 2.88Å; E484-N488 PolarHBondContact O-ND2 2.92Å; K485-N488 PolarHBondContact O-N 3.32Å; F486-N488 VanDerWaalsContact C-N 3.33Å; F486-N488 PolarHBondContact O-N 2.85Å; N488-L490 PolarHBondContact O-N 3.21Å; N488-G491 PolarHBondContact O-N 2.84Å; N488-L492 PolarHBondContact N-O 3.27Å; N488-L492 PolarHBondContact OD1-O 2.74Å; N488-P493 VanDerWaalsContact OD1-CA 3.31Å; N488-P493 WeakPolarHBondContact OD1-CA 3.44Å
489S95.3Very high92.9Very high11 Ų1145.2 Ų45.28%0.07724%0.238CC..Hα-helixtrans-65-21.3178.275.30000114.4E269 K485 F486 A487 G491E269-S489 WeakPolarHBondContact O-CB 3.28Å; K485-S489 PolarHBondContact O-N 3.43Å; F486-S489 PolarHBondContact O-N 2.91Å; F486-S489 VanDerWaalsContact O-N 3.15Å; F486-S489 PolarHBondContact O-OG 3.28Å; A487-S489 VanDerWaalsContact C-N 3.3Å; A487-S489 PolarHBondContact O-N 2.92Å; S489-G491 VanDerWaalsContact C-N 3.3Å
490L96.3Very high93Very high6 Ų646.1 Ų46.13%0.03124%0.242CC..THydrogen-bonded Turntrans-90.36.2174-56.9176.7000112.5L272 Y299 L431 F445 F486 A487 N488 L492L272-L490 HydrophobicContact CD1-CD2 3.58Å; Y299-L490 HydrophobicContact CD1-CD2 4.15Å; Y299-L490 HydrophobicContact CE1-CB 4.3Å; Y299-L490 HydrophobicContact CE1-CD2 3.55Å; Y299-L490 HydrophobicContact CE1-CG 4.48Å; Y299-L490 VanDerWaalsContact OH-C 3.24Å; Y299-L490 WeakPolarHBondContact OH-CA 3.38Å; Y299-L490 PolarHBondContact OH-O 2.84Å; L431-L490 WeakPolarHBondContact CD2-O 3.09Å; F445-L490 HydrophobicContact CB-CD1 3.7Å; F445-L490 HydrophobicContact CD2-CD1 4.1Å; F445-L490 HydrophobicContact CG-CD1 4.4Å; F486-L490 HydrophobicContact CD2-CD1 4.39Å; F486-L490 HydrophobicContact CD2-CG 4.36Å; F486-L490 HydrophobicContact CE1-CD1 4.05Å; F486-L490 HydrophobicContact CE2-CD1 3.87Å; F486-L490 HydrophobicContact CE2-CD2 4.01Å; F486-L490 HydrophobicContact CE2-CG 4.02Å; F486-L490 HydrophobicContact CZ-CD1 3.68Å; F486-L490 HydrophobicContact CZ-CD2 4.46Å; F486-L490 HydrophobicContact CZ-CG 4.35Å; F486-L490 WeakPolarHBondContact O-CG 3.5Å; F486-L490 PolarHBondContact O-N 3.4Å; A487-L490 PolarHBondContact O-N 2.76Å; N488-L490 PolarHBondContact O-N 3.21Å; L490-L492 VanDerWaalsContact C-N 3.33Å; L490-L492 HydrophobicContact CB-CD1 4.47Å; L490-L492 HydrophobicContact CB-CG 4.44Å
491G95.3Very high92.9Very high4 Ų443.6 Ų43.64%0.04123%0.228CC..THydrogen-bonded Turntrans76.418.3-174.300000113.8S427 S428 L431 N488 S489 P493S427-G491 WeakPolarHBondContact OG-CA 3.41Å; S427-G491 PolarHBondContact OG-N 2.82Å; S428-G491 WeakPolarHBondContact OG-CA 3.34Å; L431-G491 WeakPolarHBondContact CD2-O 3.41Å; N488-G491 PolarHBondContact O-N 2.84Å; S489-G491 VanDerWaalsContact C-N 3.3Å; G491-P493 WeakPolarHBondContact O-CD 3.44Å
492L94.7Very high92.8Very high10 Ų1043.2 Ų43.25%0.05223%0.225CC..  trans-102.489.6177.3-60.1173.6000109.9L431 T438 A441 R442 F445 A487 N488 L490 F494L431-L492 HydrophobicContact CD2-CD2 3.89Å; L431-L492 HydrophobicContact CD2-CG 4.43Å; T438-L492 HydrophobicContact CG2-CD2 4.49Å; A441-L492 HydrophobicContact CB-CD1 4.22Å; A441-L492 HydrophobicContact CB-CD2 4.07Å; A441-L492 HydrophobicContact CB-CG 4.15Å; R442-L492 HydrophobicContact CG-CD1 4.07Å; R442-L492 HydrophobicContact CG-CD2 3.72Å; F445-L492 HydrophobicContact CB-CD1 4Å; F445-L492 HydrophobicContact CG-CD1 4.36Å; A487-L492 CarbonylContact C-O 3.14Å; A487-L492 VanDerWaalsContact C-O 3.23Å; A487-L492 HydrophobicContact CB-CB 4.28Å; A487-L492 WeakPolarHBondContact O-CA 3.21Å; A487-L492 WeakPolarHBondContact O-CB 3.35Å; A487-L492 PolarHBondContact O-N 2.7Å; N488-L492 PolarHBondContact N-O 3.27Å; N488-L492 PolarHBondContact OD1-O 2.74Å; L490-L492 VanDerWaalsContact C-N 3.33Å; L490-L492 HydrophobicContact CB-CD1 4.47Å; L490-L492 HydrophobicContact CB-CG 4.44Å; L492-F494 PolarHBondContact O-N 2.85Å
493P88.8Confident92.7Very high72 Ų7243.5 Ų43.547%0.46822%0.224SC..SBendtrans-64.7-20.7-177.625.4-35.1000113.8N488 G491N488-P493 VanDerWaalsContact OD1-CA 3.31Å; N488-P493 WeakPolarHBondContact OD1-CA 3.44Å; G491-P493 WeakPolarHBondContact O-CD 3.44Å
494F88.8Confident92.5Very high105 Ų10549.1 Ų49.146%0.46125%0.25SC..SBendtrans-133.5136.2-178.7-52.8-70.5000110.2L492 S496 K514L492-F494 PolarHBondContact O-N 2.85Å; F494-S496 PolarHBondContact O-N 3.22Å; F494-K514 HydrophobicContact CD1-CB 4.5Å; F494-K514 HydrophobicContact CD1-CD 3.76Å; F494-K514 HydrophobicContact CE1-CD 4.37Å
495I89.1Confident92.1Very high11 Ų1147.6 Ų47.66%0.05624%0.244CC..BIsolated β-bridgetrans-88.2108.6174.4-61.3165.8000107.8F445 V483 E484 A487 L498 L512 I513 K514F445-I495 HydrophobicContact CE1-CG2 4.12Å; F445-I495 HydrophobicContact CZ-CD1 4.18Å; F445-I495 HydrophobicContact CZ-CG1 4.12Å; F445-I495 HydrophobicContact CZ-CG2 4.34Å; V483-I495 HydrophobicContact CG1-CD1 3.84Å; E484-I495 HydrophobicContact CG-CD1 4.17Å; A487-I495 HydrophobicContact CB-CD1 4.14Å; A487-I495 HydrophobicContact CB-CG1 3.71Å; I495-L498 HydrophobicContact CG2-CD2 3.91Å; I495-L498 HydrophobicContact CG2-CG 3.92Å; I495-L512 HydrophobicContact CD1-CB 4.22Å; I495-I513 WeakPolarHBondContact O-CA 3.46Å; I495-K514 PolarHBondContact O-N 3.02Å; I495-K514 VanDerWaalsContact O-N 3.1Å
496S87.1Confident91.9Very high51 Ų5143 Ų4336%0.35723%0.226SC..  trans-78.2-26.3177.360.60000113.1F494F494-S496 PolarHBondContact O-N 3.22Å
497S91.3Very high91.5Very high59 Ų5946.3 Ų46.341%0.41325%0.249SC..  trans-163.5148-176.659.50000111.1
498L93Very high91.2Very high14 Ų1451.8 Ų51.87%0.07328%0.278CS..  trans-114.4148.1170.3-70168000110.3F445 L449 V483 I495 F502 I503 S509 I513F445-L498 HydrophobicContact CE1-CD2 3.96Å; F445-L498 HydrophobicContact CZ-CD2 3.98Å; L449-L498 HydrophobicContact CD1-CD2 3.76Å; V483-L498 HydrophobicContact CG1-CD2 3.87Å; I495-L498 HydrophobicContact CG2-CD2 3.91Å; I495-L498 HydrophobicContact CG2-CG 3.92Å; L498-F502 HydrophobicContact CD1-CD1 4.44Å; L498-F502 HydrophobicContact CD2-CD1 4.47Å; L498-I503 HydrophobicContact CB-CD1 4.03Å; L498-I503 HydrophobicContact CB-CG1 3.87Å; L498-S509 VanDerWaalsContact CD1-O 3.28Å; L498-S509 WeakPolarHBondContact CD1-O 3.37Å; L498-I513 HydrophobicContact CB-CD1 4.41Å; L498-I513 HydrophobicContact CD1-CD1 4.41Å; L498-I513 HydrophobicContact CD1-CG1 4.11Å; L498-I513 HydrophobicContact CG-CD1 4.44Å; L498-I513 HydrophobicContact CG-CG1 4.21Å
499P93.2Very high90.9Very high10 Ų1048.2 Ų48.27%0.06526%0.26CS..  trans-64.7144.1175.423.6-27.8000110.8T446 L449 R450 E501 F502 I503T446-P499 HydrophobicContact CG2-CB 4.05Å; T446-P499 HydrophobicContact CG2-CG 4.27Å; L449-P499 HydrophobicContact CB-CG 3.82Å; L449-P499 HydrophobicContact CD1-CG 4.48Å; R450-P499 HydrophobicContact CB-CB 4.38Å; P499-E501 PolarHBondContact O-N 3.03Å; P499-F502 HydrophobicContact CG-CB 3.8Å; P499-F502 WeakPolarHBondContact O-CB 3.25Å; P499-F502 PolarHBondContact O-N 2.86Å; P499-I503 PolarHBondContact O-N 2.89Å; P499-I503 VanDerWaalsContact O-N 3.14Å
500K91.4Very high90.5Very high165 Ų16551.3 Ų51.372%0.71728%0.278SS*.Hα-helixtrans-57.2-37.2-178.1-65.4-176.6179.7-176.60111.9F502 I503 Q504K500-F502 VanDerWaalsContact C-N 3.27Å; K500-F502 PolarHBondContact O-N 2.67Å; K500-I503 PolarHBondContact O-N 3.36Å; K500-Q504 WeakPolarHBondContact O-CB 3.27Å; K500-Q504 VanDerWaalsContact O-CG 3.28Å; K500-Q504 WeakPolarHBondContact O-CG 3.3Å; K500-Q504 PolarHBondContact O-N 2.97Å
501E90Very high90.1Very high35 Ų3559.1 Ų59.116%0.16431%0.311CS..Hα-helixtrans-62-35.5177.9-62.687.2162.400112.2R450 C453 R457 P499 L505R450-E501 HydrophobicContact CG-CG 4.45Å; R450-E501 IonicContact CZ-OE1 2.8Å; R450-E501 IonicContact NE-OE1 3.97Å; R450-E501 PolarHBondContact NE-OE1 3.28Å; R450-E501 IonicContact NE-OE2 3.13Å; R450-E501 IonicContact NH2-OE1 3.93Å; R450-E501 PolarHBondContact NH2-OE1 3.27Å; C453-E501 HydrophobicContact CB-CB 4.13Å; R457-E501 PolarHBondContact NH2-O 3.14Å; P499-E501 PolarHBondContact O-N 3.03Å; E501-L505 WeakPolarHBondContact O-CG 3.5Å; E501-L505 PolarHBondContact O-N 3.26Å
502F91.2Very high89.6Confident3 Ų361.1 Ų61.11%0.01332%0.321CS..Hα-helixtrans-74.3-48.6177-171-87.3000111.2L449 C453 A478 L481 V483 L498 P499 K500 Q504 L505 V506L449-F502 HydrophobicContact CB-CD2 4.28Å; L449-F502 HydrophobicContact CD2-CD2 4.22Å; L449-F502 HydrophobicContact CD2-CE2 4.17Å; C453-F502 VanDerWaalsContact SG-CA 3.53Å; C453-F502 VanDerWaalsContact SG-CD2 3.54Å; A478-F502 HydrophobicContact CB-CD2 4.31Å; A478-F502 HydrophobicContact CB-CE2 4.02Å; L481-F502 HydrophobicContact CD1-CE2 4.31Å; V483-F502 HydrophobicContact CG2-CE1 3.81Å; V483-F502 HydrophobicContact CG2-CE2 4.04Å; V483-F502 HydrophobicContact CG2-CZ 3.32Å; L498-F502 HydrophobicContact CD1-CD1 4.44Å; L498-F502 HydrophobicContact CD2-CD1 4.47Å; P499-F502 HydrophobicContact CG-CB 3.8Å; P499-F502 WeakPolarHBondContact O-CB 3.25Å; P499-F502 PolarHBondContact O-N 2.86Å; K500-F502 VanDerWaalsContact C-N 3.27Å; K500-F502 PolarHBondContact O-N 2.67Å; F502-Q504 PolarHBondContact O-N 3.18Å; F502-L505 PolarHBondContact O-N 3.25Å; F502-V506 HydrophobicContact CD1-CB 4.37Å; F502-V506 HydrophobicContact CE1-CB 3.87Å; F502-V506 HydrophobicContact CE1-CG1 4.37Å; F502-V506 HydrophobicContact CE1-CG2 4.02Å; F502-V506 HydrophobicContact CE2-CG2 4.26Å; F502-V506 HydrophobicContact CZ-CB 4.17Å; F502-V506 HydrophobicContact CZ-CG2 3.83Å; F502-V506 PolarHBondContact O-N 3.45Å
503I91.3Very high89.2Confident47 Ų4763.5 Ų63.524%0.24133%0.333CS..Hα-helixtrans-55.8-41.3177.9-65.2168.6000111.2L498 P499 K500 L505 V506 P507 V510L498-I503 HydrophobicContact CB-CD1 4.03Å; L498-I503 HydrophobicContact CB-CG1 3.87Å; P499-I503 PolarHBondContact O-N 2.89Å; P499-I503 VanDerWaalsContact O-N 3.14Å; K500-I503 PolarHBondContact O-N 3.36Å; I503-L505 VanDerWaalsContact C-N 3.3Å; I503-L505 PolarHBondContact O-N 2.92Å; I503-V506 CarbonylContact O-C 3.2Å; I503-V506 PolarHBondContact O-N 3.21Å; I503-P507 WeakPolarHBondContact O-CA 3.35Å; I503-V510 HydrophobicContact CD1-CG2 4.38Å; I503-V510 HydrophobicContact CG1-CG2 4.25Å; I503-V510 HydrophobicContact CG2-CG2 3.6Å
504Q89Confident88.9Confident127 Ų12765.1 Ų65.159%0.59333%0.333SS*.Hα-helixtrans-65.2-29.1177.6-80173.2-1.900113.9R457 K500 F502R457-Q504 VanDerWaalsContact CZ-OE1 3.32Å; K500-Q504 WeakPolarHBondContact O-CB 3.27Å; K500-Q504 VanDerWaalsContact O-CG 3.28Å; K500-Q504 WeakPolarHBondContact O-CG 3.3Å; K500-Q504 PolarHBondContact O-N 2.97Å; F502-Q504 PolarHBondContact O-N 3.18Å
505L86.3Confident87.6Confident54 Ų5465.4 Ų65.428%0.28335%0.348SS..Hα-helixtrans-87.3-30.4175.9-70.3172.6000112.4C453 R457 A478 E501 F502 I503C453-L505 HydrophobicContact CB-CD1 3.72Å; R457-L505 HydrophobicContact CG-CD1 3.96Å; R457-L505 HydrophobicContact CG-CD2 3.95Å; R457-L505 HydrophobicContact CG-CG 4.33Å; A478-L505 HydrophobicContact CB-CB 4.21Å; A478-L505 HydrophobicContact CB-CD1 3.88Å; E501-L505 WeakPolarHBondContact O-CG 3.5Å; E501-L505 PolarHBondContact O-N 3.26Å; F502-L505 PolarHBondContact O-N 3.25Å; I503-L505 VanDerWaalsContact C-N 3.3Å; I503-L505 PolarHBondContact O-N 2.92Å
506V90.7Very high85.8Confident26 Ų2671 Ų7116%0.15837%0.372CS..  trans-130.875.4-177.6-165.70000108.8A478 K479 F502 I503 D508 S509A478-V506 HydrophobicContact CB-CG2 4.04Å; K479-V506 HydrophobicContact CG-CG2 3.88Å; F502-V506 HydrophobicContact CD1-CB 4.37Å; F502-V506 HydrophobicContact CE1-CB 3.87Å; F502-V506 HydrophobicContact CE1-CG1 4.37Å; F502-V506 HydrophobicContact CE1-CG2 4.02Å; F502-V506 HydrophobicContact CE2-CG2 4.26Å; F502-V506 HydrophobicContact CZ-CB 4.17Å; F502-V506 HydrophobicContact CZ-CG2 3.83Å; F502-V506 PolarHBondContact O-N 3.45Å; I503-V506 CarbonylContact O-C 3.2Å; I503-V506 PolarHBondContact O-N 3.21Å; V506-D508 VanDerWaalsContact C-N 3.28Å; V506-D508 PolarHBondContact O-N 3.09Å; V506-S509 WeakPolarHBondContact O-CB 3.5Å; V506-S509 PolarHBondContact O-N 3.3Å; V506-S509 VanDerWaalsContact O-N 3.07Å; V506-S509 PolarHBondContact O-OG 3.44Å
507P88.3Confident83.6Confident83 Ų8373.5 Ų73.554%0.53939%0.387SS..G310 helixtrans-57.9-36.8-173.9-27.336.6000114I503 S509 V510I503-P507 WeakPolarHBondContact O-CA 3.35Å; P507-S509 PolarHBondContact O-N 3.23Å; P507-S509 VanDerWaalsContact O-N 3.13Å; P507-V510 WeakPolarHBondContact O-CG2 3.21Å; P507-V510 PolarHBondContact O-N 2.88Å
508D89.3Confident81Confident115 Ų11576.9 Ų76.962%0.61541%0.41SS*.G310 helixtrans-64.8-17.4179.6-70.1-55.1000114.2V506 V510 K511V506-D508 VanDerWaalsContact C-N 3.28Å; V506-D508 PolarHBondContact O-N 3.09Å; D508-V510 PolarHBondContact O-N 2.89Å; D508-V510 VanDerWaalsContact O-N 3.12Å; D508-K511 PolarHBondContact O-N 3.06Å; D508-K511 IonicContact OD1-NZ 2.88Å
509S87.9Confident78.1Confident5 Ų582 Ų824%0.03544%0.442CS..G310 helixtrans-62.5-17179.168.40000114.2L498 V506 P507 K511 L512L498-S509 VanDerWaalsContact CD1-O 3.28Å; L498-S509 WeakPolarHBondContact CD1-O 3.37Å; V506-S509 WeakPolarHBondContact O-CB 3.5Å; V506-S509 PolarHBondContact O-N 3.3Å; V506-S509 VanDerWaalsContact O-N 3.07Å; V506-S509 PolarHBondContact O-OG 3.44Å; P507-S509 PolarHBondContact O-N 3.23Å; P507-S509 VanDerWaalsContact O-N 3.13Å; S509-K511 PolarHBondContact O-N 2.88Å; S509-L512 VanDerWaalsContact O-CB 3.24Å; S509-L512 WeakPolarHBondContact O-CB 3.12Å; S509-L512 WeakPolarHBondContact O-CG 3.41Å; S509-L512 PolarHBondContact O-N 3.09Å
510V86.9Confident74.9Confident75 Ų7587.1 Ų87.146%0.45547%0.473SS..G310 helixtrans-58.2-31.1176.2177.10000111.5I503 P507 D508 L512 I513I503-V510 HydrophobicContact CD1-CG2 4.38Å; I503-V510 HydrophobicContact CG1-CG2 4.25Å; I503-V510 HydrophobicContact CG2-CG2 3.6Å; P507-V510 WeakPolarHBondContact O-CG2 3.21Å; P507-V510 PolarHBondContact O-N 2.88Å; D508-V510 PolarHBondContact O-N 2.89Å; D508-V510 VanDerWaalsContact O-N 3.12Å; V510-L512 PolarHBondContact O-N 2.9Å; V510-I513 WeakPolarHBondContact O-CB 3.07Å; V510-I513 PolarHBondContact O-N 3.25Å; V510-I513 VanDerWaalsContact O-N 3.08Å
511K88.3Confident71.9Confident170 Ų17084.4 Ų84.474%0.73948%0.475SS*.G310 helixtrans-63-20.4176.3-63.2172.2-177.5163.60113.4D508 S509 I513D508-K511 PolarHBondContact O-N 3.06Å; D508-K511 IonicContact OD1-NZ 2.88Å; S509-K511 PolarHBondContact O-N 2.88Å; K511-I513 VanDerWaalsContact C-N 3.29Å
512L86.5Confident68.9Low46 Ų4690.2 Ų90.224%0.24151%0.507CS..G310 helixtrans-77.8-16.9177.9-51.3177.8000112.3V483 E484 I495 S509 V510 K514V483-L512 HydrophobicContact CB-CD1 4.18Å; V483-L512 HydrophobicContact CG1-CD1 4.45Å; E484-L512 HydrophobicContact CG-CB 4.48Å; E484-L512 HydrophobicContact CG-CD1 4.23Å; E484-L512 HydrophobicContact CG-CD2 3.83Å; E484-L512 HydrophobicContact CG-CG 4.4Å; E484-L512 WeakPolarHBondContact OE1-CD2 3.26Å; I495-L512 HydrophobicContact CD1-CB 4.22Å; S509-L512 VanDerWaalsContact O-CB 3.24Å; S509-L512 WeakPolarHBondContact O-CB 3.12Å; S509-L512 WeakPolarHBondContact O-CG 3.41Å; S509-L512 PolarHBondContact O-N 3.09Å; V510-L512 PolarHBondContact O-N 2.9Å; L512-K514 PolarHBondContact O-N 2.89Å
513I85.7Confident65.8Low60 Ų6097.4 Ų97.431%0.30855%0.545SS..BIsolated β-bridgetrans-74.5115.9179.6-59.2174.4000108.1I495 L498 V510 K511I495-I513 WeakPolarHBondContact O-CA 3.46Å; L498-I513 HydrophobicContact CB-CD1 4.41Å; L498-I513 HydrophobicContact CD1-CD1 4.41Å; L498-I513 HydrophobicContact CD1-CG1 4.11Å; L498-I513 HydrophobicContact CG-CD1 4.44Å; L498-I513 HydrophobicContact CG-CG1 4.21Å; V510-I513 WeakPolarHBondContact O-CB 3.07Å; V510-I513 PolarHBondContact O-N 3.25Å; V510-I513 VanDerWaalsContact O-N 3.08Å; K511-I513 VanDerWaalsContact C-N 3.29Å
514K81.4Confident62.7Low106 Ų106100 Ų10046%0.46157%0.567SS.*PPolyproline II helixtrans-102.3122.3177.3-69.9173.8178.8175.40108.7F494 I495 L512F494-K514 HydrophobicContact CD1-CB 4.5Å; F494-K514 HydrophobicContact CD1-CD 3.76Å; F494-K514 HydrophobicContact CE1-CD 4.37Å; I495-K514 PolarHBondContact O-N 3.02Å; I495-K514 VanDerWaalsContact O-N 3.1Å; L512-K514 PolarHBondContact O-N 2.89Å
515S61.1Low59.8Low111 Ų111101.5 Ų101.578%0.77658%0.579SS**PPolyproline II helixtrans-69.8131.3171.651.60000109.6
516F51.7Low56.9Low129 Ų129106.2 Ų106.257%0.56661%0.605SS**PPolyproline II helixtrans-60.8130.1162.4-84.4-89.6000108S518F516-S518 PolarHBondContact O-N 3.48Å
517P41.8Very low53.9Low104 Ų104112.4 Ų112.468%0.67564%0.637SS**PPolyproline II helixtrans-57.3126.2158.5-14.728000106.7V519P517-V519 VanDerWaalsContact C-N 3.3Å; P517-V519 PolarHBondContact O-N 3.4Å
518S35.6Very low50.9Low129 Ų129115.6 Ų115.690%0.90265%0.65SS**  trans-5888.8179.7-44.50000110.2F516F516-S518 PolarHBondContact O-N 3.48Å
519V32.2Very low47.9Very low122 Ų122118 Ų11874%0.73966%0.662SS**  trans-107.1133.3169.8-1780000106.2P517P517-V519 VanDerWaalsContact C-N 3.3Å; P517-V519 PolarHBondContact O-N 3.4Å
520V26.9Very low44.8Very low117 Ų117127 Ų12771%0.70970%0.704SS**  trans92.470.3-176.3-160.20000114.7
521S27.1Very low41.8Very low108 Ų108131 Ų13176%0.75572%0.722SS**  trans-123.257.7146.264.10000109.5
522N28Very low38.7Very low157 Ų157127.7 Ų127.784%0.8472%0.72SS**  trans-125.231.2166.2-86.1-1.9000111
523L26.8Very low35.8Very low155 Ų155132.1 Ų132.181%0.81275%0.749SS**SBendtrans-103.296.1156.4-70.7172.3000105.7D525L523-D525 PolarHBondContact O-N 3.49Å
524S25.5Very low32.8Very low102 Ų102135.2 Ų135.271%0.71377%0.771SS**  trans-38.7122.8164.449.10000110.8
525D28.4Very low30Very low158 Ų158135.4 Ų135.485%0.84578%0.781SS**  trans-157.5117131.1-93.8-26.5000108.2L523 N527L523-D525 PolarHBondContact O-N 3.49Å; D525-N527 PolarHBondContact O-N 3.15Å
526N25.4Very low28.3Very low152 Ų152137 Ų13781%0.81379%0.786SS**  trans-45.9122.8173.5-66.8-36.9000110.2
527N26.9Very low26.9Very low157 Ų157137.4 Ų137.484%0.8479%0.794SS**  trans-172.1112.9135.9-90.8-40.5000108.4D525 N529D525-N527 PolarHBondContact O-N 3.15Å; N527-N529 PolarHBondContact O-N 3.34Å
528D24.9Very low26.2Very low150 Ų150139.6 Ų139.680%0.80280%0.801SS**  trans-44.5131.3174.4-61.7-59000112.3
529N26.5Very low25.7Very low164 Ų164140.4 Ų140.488%0.87780%0.8SS**  -168.4118126.9-94.5-47000110.2N527N527-N529 PolarHBondContact O-N 3.34Å
530Q22.9Very low25.2Very low196 Ų196139.4 Ų139.492%0.91680%0.798SS**  trans-57.2132177.2-61.8167.14.400111
531L24.7Very low25.1Very low159 Ų159141.1 Ų141.183%0.83280%0.803SS**  trans-145.8112.9148.1-164.664.2000110.1
532S21.8Very low25.1Very low100 Ų100143.9 Ų143.970%0.69981%0.808SS**  trans-59.3129.2175.351.30000112.9
533T26.1Very low24.9Very low139 Ų139144.5 Ų144.585%0.85381%0.808SS**  trans-130.1112.9153.152.70000108.7
534T21.9Very low24.8Very low124 Ų124147.1 Ų147.176%0.76181%0.813SS**  trans-70.6140.5179.726.60000112.6
535T23.1Very low24.7Very low110 Ų110151 Ų15168%0.67582%0.822SS**  trans59.9102.9141.859.80000118.9
536T25.8Very low24.5Very low144 Ų144153.2 Ų153.288%0.88383%0.825SS**  -143.599.2127.252.30000108.3
537D23.1Very low24.5Very low138 Ų138153.4 Ų153.474%0.73883%0.825SS**  trans-68.7159168.4-70.3-47.3000111.2
538N25.7Very low24.4Very low151 Ų151151.8 Ų151.881%0.80782%0.822SS**  trans88.871.9166.6-55.2-24.7000117.8
539V25.7Very low24.4Very low146 Ų146153 Ų15389%0.88582%0.823SS**  trans-140.571.5144.9-166.70000109.9
540S22.1Very low24.2Very low100 Ų100150 Ų15070%0.69982%0.815SS**  trans-98.4129.1155.768.10000108.1
541N24.6Very low24.4Very low154 Ų154147.4 Ų147.482%0.82481%0.813SS**  trans110.574.6172.7-55.3-24.2000114.4
542L26.1Very low24.3Very low165 Ų165148.6 Ų148.686%0.86481%0.814SS**  trans-136.199145.6-162.959.8000111.5
543M25.3Very low24.5Very low170 Ų170152 Ų15284%0.83782%0.824SS**  trans-0.8121.1158.9-75171.4167.700119.7M545M543-M545 PolarHBondContact O-N 3.25Å
544K24.1Very low24.5Very low211 Ų211152.3 Ų152.392%0.91782%0.819SS**  trans-14.6100.3137.7-65.1169.9178.1173.60114.4
545M24.4Very low24.6Very low183 Ų183151.6 Ų151.690%0.90182%0.819SS**  trans-99.5110.8155.9-93.4174.368.500108.9M543 L547M543-M545 PolarHBondContact O-N 3.25Å; M545-L547 PolarHBondContact O-N 2.76Å
546K24.1Very low24.6Very low205 Ų205153.2 Ų153.289%0.89182%0.822SS**PPolyproline II helixtrans-61.7124.5172.7-84.3177.2171179.40109.6
547L23.7Very low24.5Very low156 Ų156153.7 Ų153.782%0.81782%0.82SS**PPolyproline II helixtrans-64.8126.7168.8-13777.8000108.8M545 H549M545-L547 PolarHBondContact O-N 2.76Å; L547-H549 PolarHBondContact O-N 2.93Å
548P26.7Very low24.6Very low122 Ų122153.5 Ų153.579%0.79282%0.817SS**PPolyproline II helixtrans-74.5126.8171.613.9-3.6000109.6
549H23.1Very low24.6Very low175 Ų175153 Ų15381%0.8182%0.815SS**PPolyproline II helixtrans-64.7146.1175-84.5-91000112.4L547L547-H549 PolarHBondContact O-N 2.93Å
550S23.5Very low24.6Very low102 Ų102153.1 Ų153.171%0.71381%0.81SS**  trans59.6105.9142.562.10000119
551T25.9Very low24.7Very low141 Ų141154.7 Ų154.787%0.86581%0.811SS**  trans-136117.8130.732.70000108.2L553T551-L553 PolarHBondContact O-N 2.95Å
552E24.4Very low24.8Very low185 Ų185154.7 Ų154.786%0.86481%0.809SS**  trans-53.5121.9178.4-64.6162.514100111
553L26.1Very low24.8Very low171 Ų171152.1 Ų152.190%0.89580%0.796SS**  trans-118.598.2159.7-76.7173.9000107.4T551 S555T551-L553 PolarHBondContact O-N 2.95Å; L553-S555 PolarHBondContact O-N 2.56Å
554I24.5Very low24.9Very low146 Ų146153.2 Ų153.275%0.74980%0.799SS**  trans-23110.9168-64159.1000111.2L556I554-L556 HydrophobicContact CG2-CG 4.45Å; I554-L556 PolarHBondContact O-N 3.03Å
555S24.2Very low24.9Very low109 Ų109149.8 Ų149.876%0.76279%0.791SS**  trans-63.292167.546.50000109.5L553 N557L553-S555 PolarHBondContact O-N 2.56Å; S555-N557 PolarHBondContact O-N 3.18Å; S555-N557 VanDerWaalsContact O-N 3.11Å
556L22.6Very low25.1Very low144 Ų144147.6 Ų147.675%0.75478%0.783SS**  trans-72.797.4162.7-74.1168.7000107.8I554 I558I554-L556 HydrophobicContact CG2-CG 4.45Å; I554-L556 PolarHBondContact O-N 3.03Å; L556-I558 VanDerWaalsContact C-N 3.29Å; L556-I558 PolarHBondContact O-N 3.41Å
557N23.8Very low25.2Very low154 Ų154146.3 Ų146.382%0.82479%0.786SS**  trans-56.992.9160.8-99.9-8.5000108.3S555S555-N557 PolarHBondContact O-N 3.18Å; S555-N557 VanDerWaalsContact O-N 3.11Å
558I26Very low25.3Very low134 Ų134146.1 Ų146.169%0.68778%0.78SS**  trans-106.2103.4159.6-62.6177.3000104.7L556 N560L556-I558 VanDerWaalsContact C-N 3.29Å; L556-I558 PolarHBondContact O-N 3.41Å; I558-N560 PolarHBondContact O-N 2.87Å; I558-N560 VanDerWaalsContact O-N 3.08Å
559N25.8Very low25.2Very low141 Ų141147.3 Ų147.375%0.75478%0.78SS**  trans-47.4114.1170.1-80.4-20.4000108.8N561N559-N561 PolarHBondContact O-N 2.81Å
560N26.6Very low25.3Very low147 Ų147146.5 Ų146.579%0.78678%0.78SS**  trans-75.165.3170.3-71.3-38.9000109.6I558 I562I558-N560 PolarHBondContact O-N 2.87Å; I558-N560 VanDerWaalsContact O-N 3.08Å; N560-I562 VanDerWaalsContact C-N 3.32Å
561N24Very low25.4Very low134 Ų134149.7 Ų149.772%0.71779%0.789SS**  trans-94.478150.9-77.78.9000105.8N559N559-N561 PolarHBondContact O-N 2.81Å
562I26.8Very low25.5Very low154 Ų154147.4 Ų147.479%0.7978%0.779SS**  trans-104.388.7155.1-64.4174.8000102.8N560 E564N560-I562 VanDerWaalsContact C-N 3.32Å; I562-E564 PolarHBondContact O-N 2.93Å
563D25.4Very low25.5Very low110 Ų110145 Ų14559%0.58877%0.772SS**  trans-48.5132.9164.7-70-56.7000108.3D565D563-D565 PolarHBondContact O-N 2.77Å
564E26.8Very low25.5Very low193 Ų193144.1 Ų144.190%0.90277%0.768SS**  trans-66.572.2168-67.7-176.915000107.9I562 D566I562-E564 PolarHBondContact O-N 2.93Å; E564-D566 PolarHBondContact O-N 3.04Å; E564-D566 VanDerWaalsContact O-N 3.11Å
565D25Very low25.4Very low140 Ų140144.7 Ų144.775%0.74977%0.773SS**  trans-79.998171.4-78.9-27.1000108.3D563 D567D563-D565 PolarHBondContact O-N 2.77Å; D565-D567 PolarHBondContact O-N 3.44Å
566D27.3Very low25.3Very low136 Ų136146.4 Ų146.473%0.72777%0.773SS**  trans-19.8112.2150.9-75-45000112.5E564 H568E564-D566 PolarHBondContact O-N 3.04Å; E564-D566 VanDerWaalsContact O-N 3.11Å; D566-H568 PolarHBondContact O-N 3.43Å
567D27Very low25.3Very low178 Ų178147.2 Ų147.295%0.95278%0.777SS**  trans-63.974.7164.4-99.6-26.9000109D565D565-D567 PolarHBondContact O-N 3.44Å
568H26.3Very low25.3Very low152 Ų152146.9 Ų146.970%0.70477%0.774SS**  trans-112.6123.9161.1-85.7-57.7000108.1D566D566-H568 PolarHBondContact O-N 3.43Å
569N24.6Very low25.1Very low148 Ų148149.7 Ų149.779%0.79178%0.781SS**  trans82.4102.7165.1-65.3-25.1000118.2
570I24.5Very low25Very low157 Ų157152.9 Ų152.981%0.80579%0.788SS**  155.4103.5110.5-76148000107.6
571D25.1Very low25Very low169 Ų169149.7 Ų149.790%0.90478%0.777SS**  trans-143.274.9139.7-128.4-2.6000105.9D573D571-D573 PolarHBondContact O-N 3.46Å
572S28.3Very low25.2Very low94 Ų94148.7 Ų148.766%0.65778%0.781SS**  trans-73.2109.6158.8-173.80000105.5
573D25.7Very low25.5Very low135 Ų135146.3 Ų146.372%0.72277%0.769SS**  trans149.374.1147.2-73.3-6.8000110.5D571D571-D573 PolarHBondContact O-N 3.46Å
574D25.1Very low26.2Very low152 Ų152146 Ų14681%0.81377%0.767SS**  trans-15064.9152.4-100.7-23.7000108.6L576D574-L576 PolarHBondContact O-N 3.16Å
575N22.1Very low26.7Very low158 Ų158140.9 Ų140.985%0.84575%0.749SS**  trans-69.865.4165.4-94.1-28.8000110.2L577N575-L577 PolarHBondContact O-N 2.96Å
576L23.6Very low27.1Very low144 Ų144136.8 Ų136.875%0.75473%0.726SS**  trans-90.787.1162-101.8154.2000108.4D574 I578D574-L576 PolarHBondContact O-N 3.16Å; L576-I578 PolarHBondContact O-N 3.38Å
577L21.2Very low27.3Very low161 Ų161134.4 Ų134.484%0.84372%0.718SS**  trans-50.878.8168.4-78.5153000111.9N575 K579N575-L577 PolarHBondContact O-N 2.96Å; L577-K579 PolarHBondContact O-N 3.34Å
578I23.3Very low27.3Very low148 Ų148132.4 Ų132.476%0.75971%0.707SS**  trans-86.397.5160.2-57.3178.1000106.2L576 K580L576-I578 PolarHBondContact O-N 3.38Å; I578-K580 PolarHBondContact O-N 3.33Å
579K22.2Very low27.3Very low193 Ų193134.3 Ų134.384%0.83972%0.717SS**  trans-42.9113.9166.6-91179.4173.4176.10108.7L577 S581L577-K579 PolarHBondContact O-N 3.34Å; K579-S581 PolarHBondContact O-N 2.78Å
580K25.3Very low27.3Very low207 Ų207132.5 Ų132.590%0.971%0.711SS**  trans-54.7102.8167.2-79.9176.1176.8171.90107.1I578I578-K580 PolarHBondContact O-N 3.33Å
581S26.4Very low27.3Very low80 Ų80135.3 Ų135.356%0.55972%0.718SS**  trans-66.7137.9172.1320000108.2K579 I583K579-S581 PolarHBondContact O-N 2.78Å; S581-I583 PolarHBondContact O-N 2.84Å
582S26.9Very low27.2Very low114 Ų114134.9 Ų134.980%0.79771%0.714SS**  trans-56101.8-177.3-43.40000110.6
583I33.6Very low27Very low104 Ų104139.8 Ų139.853%0.53372%0.724SS.*  trans-100117.3168.8-51.8172000105.8S581 V585S581-I583 PolarHBondContact O-N 2.84Å; I583-V585 HydrophobicContact CB-CG2 3.99Å; I583-V585 HydrophobicContact CG2-CB 4.41Å; I583-V585 HydrophobicContact CG2-CG2 3.34Å; I583-V585 PolarHBondContact O-N 3.06Å
584N39.9Very low27Very low102 Ų102139.5 Ų139.555%0.54573%0.73SS.*  trans-71.856164.2-75.9-13000109.6I586N584-I586 PolarHBondContact O-N 3.17Å
585V37.1Very low27Very low87 Ų87140.3 Ų140.353%0.52773%0.733SS.*SBendtrans-65.5122.3152-176.70000103.4I583 P587I583-V585 HydrophobicContact CB-CG2 3.99Å; I583-V585 HydrophobicContact CG2-CB 4.41Å; I583-V585 HydrophobicContact CG2-CG2 3.34Å; I583-V585 PolarHBondContact O-N 3.06Å; V585-P587 WeakPolarHBondContact O-CA 3.4Å; V585-P587 WeakPolarHBondContact O-CD 3.47Å; V585-P587 VanDerWaalsContact O-CG 3.25Å; V585-P587 WeakPolarHBondContact O-CG 3.34Å
586I34.8Very low27Very low54 Ų54140.2 Ų140.228%0.27773%0.732SS.*  trans-34.8100.6176.9-59.2173.7000108.9M128 N584M128-I586 HydrophobicContact CE-CD1 4.01Å; N584-I586 PolarHBondContact O-N 3.17Å
587P30.6Very low27Very low85 Ų85141 Ų14155%0.55274%0.736SS**  trans-78.9149.8-173.2-9.125000108.6V585 E589V585-P587 WeakPolarHBondContact O-CA 3.4Å; V585-P587 WeakPolarHBondContact O-CD 3.47Å; V585-P587 VanDerWaalsContact O-CG 3.25Å; V585-P587 WeakPolarHBondContact O-CG 3.34Å; P587-E589 PolarHBondContact O-N 3.46Å
588N27Very low27.2Very low136 Ų136139.9 Ų139.973%0.72774%0.736SS**SBendtrans-48.8126.3170-73-17.9000110T590N588-T590 PolarHBondContact O-N 2.98Å
589E26.5Very low27.2Very low192 Ų192140.9 Ų140.990%0.89774%0.738SS**  trans27.489.7158.5-62.9-177.5174.100116.1P587P587-E589 PolarHBondContact O-N 3.46Å
590T25.1Very low27.3Very low111 Ų111139.1 Ų139.168%0.68174%0.737SS**  trans-109.3108.8154.918.10000108.3N588 L592N588-T590 PolarHBondContact O-N 2.98Å; T590-L592 VanDerWaalsContact C-N 3.33Å; T590-L592 PolarHBondContact O-N 3.43Å
591K24Very low27.3Very low215 Ų215136 Ų13694%0.93574%0.736SS**  trans-59.393.9166.4-75.1178.2176.2177.60108.1
592L23Very low27.1Very low160 Ų160137.1 Ų137.184%0.83874%0.743SS**PPolyproline II helixtrans-79131.5169.5-71.2166.6000108.6T590T590-L592 VanDerWaalsContact C-N 3.33Å; T590-L592 PolarHBondContact O-N 3.43Å
593K23.6Very low26.9Very low197 Ų197136.6 Ų136.686%0.85774%0.74SS**PPolyproline II helixtrans-67144.2179.2-68.9179.6176.8-178.80109.9L595K593-L595 PolarHBondContact O-N 3.35Å
594P25.5Very low26.6Very low130 Ų130138.6 Ų138.684%0.84475%0.752SS**PPolyproline II helixtrans-57.2132.1-179.7-20.131.6000111
595L25.7Very low25.9Very low169 Ų169140.5 Ų140.589%0.88576%0.762SS**PPolyproline II helixtrans-61.4131.8176-159.376.9000109.3K593 L597K593-L595 PolarHBondContact O-N 3.35Å; L595-L597 PolarHBondContact O-N 2.67Å
596D22.8Very low25.4Very low155 Ų155144.2 Ų144.283%0.82978%0.779SS**PPolyproline II helixtrans-56.3123.3174.8-88.3-36.3000110.2V598D596-V598 PolarHBondContact O-N 3.49Å
597L23.8Very low24.9Very low160 Ų160148.3 Ų148.384%0.83880%0.801SS**  trans-65.597.6178.1-160.879.1000108.2L595 Q599L595-L597 PolarHBondContact O-N 2.67Å; L597-Q599 PolarHBondContact O-N 3.08Å
598V24.5Very low24.7Very low138 Ų138151.4 Ų151.484%0.83681%0.813SS**PPolyproline II helixtrans-71.6117.4166.11790000106.8D596D596-V598 PolarHBondContact O-N 3.49Å
599Q24.1Very low24.6Very low170 Ų170152.2 Ų152.279%0.79482%0.818SS**PPolyproline II helixtrans-58.7140.3-173.9-70.3170.8-29.900112.5L597L597-Q599 PolarHBondContact O-N 3.08Å
600D22.7Very low24.4Very low156 Ų156150.2 Ų150.283%0.83481%0.812SS**PPolyproline II helixtrans-51.2129.6171.6-61.8-57.9000112.2
601T25Very low24.5Very low141 Ų141148.9 Ų148.987%0.86582%0.82SS**  trans-118.4103148.954.70000107.2
602S23Very low24.4Very low103 Ų103146.2 Ų146.272%0.7281%0.811SS**  trans-66.1174.2172.345.80000113.1
603S23.3Very low24.3Very low104 Ų104144.7 Ų144.773%0.72780%0.804SS**  trans80.4127.9171.668.20000114.9
604D26.9Very low24.5Very low146 Ų146142.1 Ų142.178%0.78180%0.799SS**  cis-144.2146.729.2-83.1-49.9000112.9
605D24.8Very low24.3Very low142 Ų142142.9 Ų142.976%0.75979%0.791SS**  trans-58.4143.8168.4-63-51.8000112.1
606N27.3Very low24.4Very low164 Ų164144.3 Ų144.388%0.87779%0.793SS**  trans-149.787.4149.3-80-61.7000107.2
607D23.6Very low24.3Very low140 Ų140145.2 Ų145.275%0.74979%0.79SS**  trans-60.9139.5150.3-77.2-40.3000108.4
608D25.7Very low24.4Very low150 Ų150144.3 Ų144.380%0.80279%0.791SS**  -177.9126.4125.6-88.2-23000112.6
609D26.2Very low24.4Very low154 Ų154145.3 Ų145.382%0.82479%0.792SS**  trans94.1123.3136.8-93.1-21.4000124.3
610I21.9Very low24.3Very low150 Ų150145.6 Ų145.677%0.76979%0.793SS**  trans-95.1128.8-175.7-71.9160.4000107.9E612I610-E612 HydrophobicContact CG2-CG 4.3Å
611G26.1Very low24.5Very low83 Ų83144.4 Ų144.486%0.85679%0.794SS**  trans-116.4103.416800000110.7
612E22.1Very low24.4Very low158 Ų158144.2 Ų144.274%0.73878%0.783SS**  trans-80.1166.4174.1-87.3-174.4149.300113.8I610I610-E612 HydrophobicContact CG2-CG 4.3Å
613N22.7Very low24.4Very low129 Ų129147.4 Ų147.469%0.6978%0.784SS**  trans84.3134.1159.4-58.4-33.6000115.5
614D26.4Very low24.6Very low143 Ų143147.7 Ų147.777%0.76579%0.786SS**  cis-162.7167.940.2-130.2-31000114.7
615Q22.5Very low24.5Very low145 Ų145152.9 Ų152.968%0.67879%0.794SS**  trans-74.1145-167.8-56.2170.16.400115
616H27.1Very low24.6Very low199 Ų199154.8 Ų154.892%0.92180%0.796SS**  trans-137.2111.2151.8-100.6-68.1000112.2
617K21.7Very low24.5Very low174 Ų174151.4 Ų151.476%0.75779%0.785SS**  trans-81.1138.4167.1-71.5171.6175.6168.60109.6
618T24.7Very low24.8Very low141 Ų141153.1 Ų153.187%0.86579%0.792SS**  trans-156.9111.6146.430.90000112.5
619N24.7Very low25Very low160 Ų160152.5 Ų152.586%0.85679%0.789SS**  trans11.9140.4150.3-65-19.6000124
620Q22.7Very low25.1Very low175 Ų175155 Ų15582%0.81879%0.793SS**  trans-62.8159171.5-58173.80.400114.3
621P26.5Very low25.9Very low132 Ų132156 Ų15686%0.85780%0.799SS**  trans-127.9146.5134.533.4-21.1000113.2
622E22.2Very low26.5Very low137 Ų137161.3 Ų161.364%0.6480%0.798SS**  trans-78.9153.9-172.2-70.9-166.2131.100115.6
623K24.3Very low27.3Very low170 Ų170163.9 Ų163.974%0.73981%0.807SS**  trans60.4106.7141.5-68.9163-168.8152.10119.3
624S25.6Very low28.5Very low109 Ų109162.5 Ų162.576%0.76280%0.799SS**  trans-142.2125137.862.40000112K626S624-K626 PolarHBondContact O-N 3.31Å
625R25.4Very low29.8Very low255 Ų255158.4 Ų158.496%0.96278%0.782SS**  trans-64.8120.1-178.6-68.9167.9169.2151.1-4.8110.7
626K26.9Very low31.1Very low183 Ų183160.5 Ų160.580%0.79678%0.783SS**  trans-137.4110.1164.2-73.7-172.1-179.7173.80112S624S624-K626 PolarHBondContact O-N 3.31Å
627S26Very low32.2Very low92 Ų92156.7 Ų156.764%0.64377%0.769SS**  trans42.5111.9145.454.90000118.5N629S627-N629 VanDerWaalsContact C-N 3.34Å; S627-N629 PolarHBondContact O-N 3.27Å
628I28.7Very low33.8Very low176 Ų176153.1 Ų153.190%0.90376%0.755SS**  trans-53.788.6168.8-59.6162.4000109.7K630I628-K630 PolarHBondContact O-N 3.27Å
629N29.8Very low35.3Very low138 Ų138150.6 Ų150.674%0.73874%0.735SS**  trans-80.1115.7168.7-89-20.6000107.9S627 L631S627-N629 VanDerWaalsContact C-N 3.34Å; S627-N629 PolarHBondContact O-N 3.27Å; N629-L631 PolarHBondContact O-N 3.11Å
630K29.7Very low36.4Very low206 Ų206145.2 Ų145.290%0.89671%0.713SS**  trans-43.3105171.8-79.2175.5174.2173.40109.8I628 K632I628-K630 PolarHBondContact O-N 3.27Å; K630-K632 PolarHBondContact O-N 3.37Å
631L39.1Very low37.9Very low171 Ų171143 Ų14390%0.89570%0.701SS**  trans-55.2112.1174.7-85.9143.4000108.7N629 K633N629-L631 PolarHBondContact O-N 3.11Å; L631-K633 PolarHBondContact O-N 3.25Å
632K38.4Very low39.5Very low194 Ų194143 Ų14384%0.84369%0.687SS**  trans-53.9124.1170-92.8177.9173.2175.30108K630 L634K630-K632 PolarHBondContact O-N 3.37Å; K632-L634 PolarHBondContact O-N 2.88Å
633K39.1Very low40.9Very low213 Ų213142.6 Ų142.693%0.92669%0.685SS**  trans-55.7108.6171.4-80.2-176.8173.6-1780108.7L631L631-K633 PolarHBondContact O-N 3.25Å
634L47.8Very low42.2Very low99 Ų99141.4 Ų141.452%0.51869%0.686SS.*  trans-64.3144.1175.9-71.3164.6000109.8K632 Q638K632-L634 PolarHBondContact O-N 2.88Å; L634-Q638 HydrophobicContact CB-CB 4.14Å; L634-Q638 HydrophobicContact CD2-CB 4.15Å; L634-Q638 HydrophobicContact CD2-CG 4.5Å
635S53Low43.4Very low58 Ų58145.1 Ų145.141%0.40669%0.689SS.*  trans-69.8155.8177.880.90000110.6I637 Q638 L639S635-I637 PolarHBondContact O-N 3.06Å; S635-I637 VanDerWaalsContact O-N 3.09Å; S635-Q638 VanDerWaalsContact N-OE1 3.07Å; S635-Q638 WeakPolarHBondContact O-CA 3.43Å; S635-Q638 WeakPolarHBondContact O-CB 3.26Å; S635-Q638 PolarHBondContact O-N 3.48Å; S635-Q638 PolarHBondContact OG-N 3.45Å; S635-L639 PolarHBondContact O-N 3.49Å
636R49.9Very low44.2Very low188 Ų188138.7 Ų138.771%0.70967%0.67SS**Hα-helixtrans-51.3-34.6176.9-96.1179.4134.8140.2-7.4112.9L639 A640R636-L639 PolarHBondContact O-N 2.97Å; R636-A640 WeakPolarHBondContact O-CB 3.16Å; R636-A640 PolarHBondContact O-N 3.38Å
637I50Low44.8Very low120 Ų120139.8 Ų139.862%0.61568%0.675SS**Hα-helixtrans-67.6-38.9177.9-61.4170.1000111S635 K641S635-I637 PolarHBondContact O-N 3.06Å; S635-I637 VanDerWaalsContact O-N 3.09Å; I637-K641 WeakPolarHBondContact O-CB 3.47Å; I637-K641 WeakPolarHBondContact O-CG 3.08Å; I637-K641 PolarHBondContact O-N 3.36Å
638Q55.5Low45.2Very low98 Ų98141.6 Ų141.646%0.45868%0.675SS.*Hα-helixtrans-71.4-33.6176.8-69.6173.5-43.700111.9L634 S635 K642L634-Q638 HydrophobicContact CB-CB 4.14Å; L634-Q638 HydrophobicContact CD2-CB 4.15Å; L634-Q638 HydrophobicContact CD2-CG 4.5Å; S635-Q638 VanDerWaalsContact N-OE1 3.07Å; S635-Q638 WeakPolarHBondContact O-CA 3.43Å; S635-Q638 WeakPolarHBondContact O-CB 3.26Å; S635-Q638 PolarHBondContact O-N 3.48Å; S635-Q638 PolarHBondContact OG-N 3.45Å; Q638-K642 WeakPolarHBondContact O-CB 3.48Å; Q638-K642 PolarHBondContact O-N 2.77Å
639L56.9Low45.7Very low88 Ų88144.6 Ų144.646%0.46168%0.675SS.*Hα-helixtrans-65.1-48.7172.4-117.2151.7000110.9S635 R636 K641 K642 E643S635-L639 PolarHBondContact O-N 3.49Å; R636-L639 PolarHBondContact O-N 2.97Å; L639-K641 VanDerWaalsContact C-N 3.34Å; L639-K641 PolarHBondContact O-N 3.08Å; L639-K642 WeakPolarHBondContact O-CB 3.5Å; L639-K642 PolarHBondContact O-N 3.15Å; L639-E643 PolarHBondContact O-N 2.72Å
640A47.6Very low46.1Very low47 Ų47142.2 Ų142.239%0.38867%0.67SS.*Hα-helixtrans-60.8-39.7175.200000112.5R636 K642 E643 L644R636-A640 WeakPolarHBondContact O-CB 3.16Å; R636-A640 PolarHBondContact O-N 3.38Å; A640-K642 VanDerWaalsContact C-N 3.34Å; A640-K642 PolarHBondContact O-N 3.23Å; A640-E643 PolarHBondContact O-N 3.33Å; A640-L644 WeakPolarHBondContact O-CB 3.3Å; A640-L644 PolarHBondContact O-N 3.11Å
641K54.3Low46.4Very low128 Ų128140.8 Ų140.856%0.55767%0.666SS**Hα-helixtrans-66-33.2173.4-80.2-175176.1-174.60112.9I637 L639 K645I637-K641 WeakPolarHBondContact O-CB 3.47Å; I637-K641 WeakPolarHBondContact O-CG 3.08Å; I637-K641 PolarHBondContact O-N 3.36Å; L639-K641 VanDerWaalsContact C-N 3.34Å; L639-K641 PolarHBondContact O-N 3.08Å; K641-K645 PolarHBondContact O-N 3.25Å
642K60.4Low46.6Very low133 Ų133142.3 Ų142.358%0.57866%0.66SS**Hα-helixtrans-72.1-39.3176-169.3-178.3177.9-173.50111Q638 L639 A640 K645 Q646Q638-K642 WeakPolarHBondContact O-CB 3.48Å; Q638-K642 PolarHBondContact O-N 2.77Å; L639-K642 WeakPolarHBondContact O-CB 3.5Å; L639-K642 PolarHBondContact O-N 3.15Å; A640-K642 VanDerWaalsContact C-N 3.34Å; A640-K642 PolarHBondContact O-N 3.23Å; K642-K645 PolarHBondContact O-N 3.07Å; K642-Q646 PolarHBondContact O-N 3.18Å
643E50.8Low46.8Very low128 Ų128140.5 Ų140.560%0.59865%0.652SS**Hα-helixtrans-67.1-43.1174.2-74.7176.3170.700111.7L639 A640 K645 Q646L639-E643 PolarHBondContact O-N 2.72Å; A640-E643 PolarHBondContact O-N 3.33Å; E643-K645 PolarHBondContact O-N 3.2Å; E643-Q646 CarbonylContact O-C 3.51Å; E643-Q646 PolarHBondContact O-N 2.73Å
644L50.8Low47.5Very low145 Ų145134.1 Ų134.176%0.75963%0.627SS**Hα-helixtrans-60.4-28.2173.9-95155.6000113.7A640A640-L644 WeakPolarHBondContact O-CB 3.3Å; A640-L644 PolarHBondContact O-N 3.11Å
645K52.1Low47.3Very low188 Ų188133.6 Ų133.682%0.81762%0.623SS**Hα-helixtrans-76.6-23.5174-84.1-169.6174-170.30113.4K641 K642 E643K641-K645 PolarHBondContact O-N 3.25Å; K642-K645 PolarHBondContact O-N 3.07Å; E643-K645 PolarHBondContact O-N 3.2Å
646Q41.5Very low47.3Very low119 Ų119136.3 Ų136.356%0.55663%0.627SS**SBendtrans-96.595.3171.1-67.9-169.1-3.200107.2K642 E643 I648K642-Q646 PolarHBondContact O-N 3.18Å; E643-Q646 CarbonylContact O-C 3.51Å; E643-Q646 PolarHBondContact O-N 2.73Å; Q646-I648 HydrophobicContact CB-CD1 4.38Å; Q646-I648 HydrophobicContact CB-CG1 4.45Å; Q646-I648 WeakPolarHBondContact O-CG1 3.47Å; Q646-I648 PolarHBondContact O-N 2.73Å
647K39Very low47.7Very low207 Ų207130.2 Ų130.290%0.961%0.608SS**  trans-53.365.9-178.7-68179.4174.5179.70113.8
648I35.4Very low48.2Very low129 Ų129133 Ų13366%0.66263%0.625SS**  trans-92.6111.3176.8-62.4171.5000106.3Q646 S650Q646-I648 HydrophobicContact CB-CD1 4.38Å; Q646-I648 HydrophobicContact CB-CG1 4.45Å; Q646-I648 WeakPolarHBondContact O-CG1 3.47Å; Q646-I648 PolarHBondContact O-N 2.73Å; I648-S650 PolarHBondContact O-N 3.08Å
649R39.1Very low48.3Very low239 Ų239136.1 Ų136.190%0.90264%0.639SS**  trans-63.9112.3170.3-88.4-178.8169.5-179-2.8108.2H651R649-H651 PolarHBondContact O-N 3.23Å
650S37.9Very low47.8Very low89 Ų89134.3 Ų134.362%0.62264%0.642SS**PPolyproline II helixtrans-60.9130.7173.641.90000110.4I648 R652I648-S650 PolarHBondContact O-N 3.08Å; S650-R652 PolarHBondContact O-N 3.36Å
651H35Very low48.1Very low176 Ų176137.6 Ų137.682%0.81565%0.649SS**PPolyproline II helixtrans-63.5121.7-176.9-57.6-77.9000110.8R649R649-H651 PolarHBondContact O-N 3.23Å
652R43.3Very low48.1Very low202 Ų202133.5 Ų133.576%0.76264%0.635SS**PPolyproline II helixtrans-77.6132.1168.3-73.3-178.7178.1178.1-3.2108.6S650S650-R652 PolarHBondContact O-N 3.36Å
653K43.5Very low48Very low157 Ų157132 Ų13268%0.68363%0.632SS**EExtended strand (participates in β ladder)trans-119.1119.3172.4-148.9-180-176.8-169.60108.3
654L54Low47.8Very low78 Ų78127.5 Ų127.541%0.40861%0.614SS.*EExtended strand (participates in β ladder)trans-94.8126.7176.2-70.3149.6000107.3F656 V662 E665L654-F656 HydrophobicContact CB-CD2 4.4Å; L654-F656 HydrophobicContact CB-CE2 3.58Å; L654-F656 HydrophobicContact CB-CZ 3.76Å; L654-F656 HydrophobicContact CD1-CZ 4.32Å; L654-V662 HydrophobicContact CD2-CG1 3.58Å; L654-V662 HydrophobicContact CD2-CG2 4.1Å; L654-E665 HydrophobicContact CD2-CG 3.85Å
655E42.9Very low47.8Very low89 Ų89125.4 Ų125.442%0.41660%0.6SS.*EExtended strand (participates in β ladder)trans-105129.3169.1-78.7171.6172.400108.3V662 I663 K666E655-V662 CarbonylContact O-C 3.38Å; E655-I663 PolarHBondContact O-N 2.88Å; E655-K666 IonicContact OE1-NZ 2.78Å; E655-K666 IonicContact OE2-NZ 3.12Å; E655-K666 PolarHBondContact OE2-NZ 3.01Å
656F53.5Low47.4Very low115 Ų115120.2 Ų120.250%0.50458%0.578SS.*EExtended strand (participates in β ladder)trans-110.3148.9-176.5-58.3-96.1000109.3L654 H661 V662L654-F656 HydrophobicContact CB-CD2 4.4Å; L654-F656 HydrophobicContact CB-CE2 3.58Å; L654-F656 HydrophobicContact CB-CZ 3.76Å; L654-F656 HydrophobicContact CD1-CZ 4.32Å; F656-H661 CarbonylContact C-O 3.54Å; F656-H661 VanDerWaalsContact CA-O 3.28Å; F656-H661 WeakPolarHBondContact CA-O 3.25Å; F656-V662 HydrophobicContact CD1-CB 4.49Å; F656-V662 HydrophobicContact CD1-CG2 3.68Å; F656-V662 HydrophobicContact CE1-CG2 3.35Å; F656-V662 HydrophobicContact CZ-CG2 4.11Å
657D57.3Low47.6Very low59 Ų59118.9 Ų118.932%0.31657%0.574SS.*  trans-77.8172.4165.956.131.7000111.1E659 G660 H661 I663D657-E659 PolarHBondContact O-N 2.88Å; D657-E659 VanDerWaalsContact O-N 3.08Å; D657-E659 PolarHBondContact OD1-N 3.36Å; D657-G660 PolarHBondContact O-N 3.01Å; D657-G660 PolarHBondContact OD1-N 2.77Å; D657-H661 PolarHBondContact N-O 3Å; D657-H661 WeakPolarHBondContact OD1-CA 3.34Å; D657-H661 IonicContact OD1-CG 2.78Å; D657-H661 PolarHBondContact OD1-N 3.36Å; D657-H661 IonicContact OD1-ND1 2.72Å; D657-H661 WeakPolarHBondContact OD2-CB 3.46Å; D657-H661 IonicContact OD2-ND1 3.24Å; D657-I663 HydrophobicContact CB-CD1 3.6Å; D657-I663 HydrophobicContact CB-CG1 3.73Å
658D62.4Low48.5Very low179 Ų179111.7 Ų111.796%0.95756%0.558SS**THydrogen-bonded Turntrans-64-11.7-178.4-61.9-28.9000112.8
659E57.5Low48.9Very low164 Ų164113.4 Ų113.477%0.76657%0.568SS**THydrogen-bonded Turntrans-101.53.8175.3-62.2-175.5176.400112.8D657D657-E659 PolarHBondContact O-N 2.88Å; D657-E659 VanDerWaalsContact O-N 3.08Å; D657-E659 PolarHBondContact OD1-N 3.36Å
660G46.6Very low48.8Very low50 Ų50107.9 Ų107.952%0.51556%0.556SS.*SBendtrans86.210.3173.700000115.5D657D657-G660 PolarHBondContact O-N 3.01Å; D657-G660 PolarHBondContact OD1-N 2.77Å
661H53.1Low48.9Very low115 Ų115107.8 Ų107.853%0.53255%0.553SS.*  trans-88.4134.2175.7-52.892.2000111.1F656 D657 I663F656-H661 CarbonylContact C-O 3.54Å; F656-H661 VanDerWaalsContact CA-O 3.28Å; F656-H661 WeakPolarHBondContact CA-O 3.25Å; D657-H661 PolarHBondContact N-O 3Å; D657-H661 WeakPolarHBondContact OD1-CA 3.34Å; D657-H661 IonicContact OD1-CG 2.78Å; D657-H661 PolarHBondContact OD1-N 3.36Å; D657-H661 IonicContact OD1-ND1 2.72Å; D657-H661 WeakPolarHBondContact OD2-CB 3.46Å; D657-H661 IonicContact OD2-ND1 3.24Å; H661-I663 PolarHBondContact O-N 3.42Å; H661-I663 VanDerWaalsContact O-N 3.12Å
662V54.8Low49.1Very low42 Ų42103.5 Ų103.526%0.25554%0.535SS..EExtended strand (participates in β ladder)trans-66.2111.2178.8179.90000109.3L654 E655 F656 E665 K674L654-V662 HydrophobicContact CD2-CG1 3.58Å; L654-V662 HydrophobicContact CD2-CG2 4.1Å; E655-V662 CarbonylContact O-C 3.38Å; F656-V662 HydrophobicContact CD1-CB 4.49Å; F656-V662 HydrophobicContact CD1-CG2 3.68Å; F656-V662 HydrophobicContact CE1-CG2 3.35Å; F656-V662 HydrophobicContact CZ-CG2 4.11Å; V662-E665 HydrophobicContact CG1-CG 4.35Å; V662-K674 WeakPolarHBondContact O-CE 3.41Å; V662-K674 PolarHBondContact O-NZ 3.39Å
663I57.2Low48.8Very low103 Ų10398.4 Ų98.453%0.52854%0.536SS..EExtended strand (participates in β ladder)trans-77.2-39.7-177.7-50.5176.7000110.7E655 D657 H661E655-I663 PolarHBondContact O-N 2.88Å; D657-I663 HydrophobicContact CB-CD1 3.6Å; D657-I663 HydrophobicContact CB-CG1 3.73Å; H661-I663 PolarHBondContact O-N 3.42Å; H661-I663 VanDerWaalsContact O-N 3.12Å
664C46.8Very low48.4Very low32 Ų3297.8 Ų97.822%0.21653%0.533CS..EExtended strand (participates in β ladder)trans-154.9131.3-173.4-157.40000112.2
665E50.2Low47.5Very low101 Ų10199.8 Ų99.847%0.47255%0.551SS.*EExtended strand (participates in β ladder)trans-93.8122.4166.9-77-167.3151.500109.7L654 V662 I672L654-E665 HydrophobicContact CD2-CG 3.85Å; V662-E665 HydrophobicContact CG1-CG 4.35Å; E665-I672 PolarHBondContact O-N 3.43Å
666K45Very low46.9Very low79 Ų79103.9 Ų103.934%0.34358%0.575SS.*EExtended strand (participates in β ladder)trans-112.1129.6176.9-67.9170.3-179.3158.40110.1E655E655-K666 IonicContact OE1-NZ 2.78Å; E655-K666 IonicContact OE2-NZ 3.12Å; E655-K666 PolarHBondContact OE2-NZ 3.01Å
667I44.8Very low45.9Very low92 Ų92105.6 Ų105.647%0.47259%0.588SS.*EExtended strand (participates in β ladder)trans-105.1100.7164.5-59.9179.2000107.3D669 I670 I672I667-D669 PolarHBondContact O-N 3.27Å; I667-I670 PolarHBondContact N-O 3.1Å; I667-I670 PolarHBondContact O-N 3.42Å; I667-I672 HydrophobicContact CD1-CD1 3.8Å; I667-I672 HydrophobicContact CG1-CD1 4.04Å
668G57.5Low44.7Very low55 Ų55108.2 Ų108.257%0.56761%0.608SS**THydrogen-bonded Turntrans65-126.2-166.300000110.4
669D44.1Very low43.3Very low165 Ų165108.8 Ų108.888%0.88261%0.605SS**THydrogen-bonded Turntrans-100.310-177.5-61.9-36.5000113.8I667I667-D669 PolarHBondContact O-N 3.27Å
670I37.7Very low42Very low124 Ų124108 Ų10864%0.63661%0.606SS**EExtended strand (participates in β ladder)trans-105.2115.5-175-53.9172.1000109.5I667I667-I670 PolarHBondContact N-O 3.1Å; I667-I670 PolarHBondContact O-N 3.42Å
671P39.4Very low41.1Very low86 Ų86112.5 Ų112.556%0.55862%0.618SS**EExtended strand (participates in β ladder)trans-77.9132.9175.928.8-30.4000111.1
672I39.8Very low39.9Very low87 Ų87115.2 Ų115.245%0.44663%0.631SS.*PPolyproline II helixtrans-96.2122.5175.2-57.4173000108E665 I667E665-I672 PolarHBondContact O-N 3.43Å; I667-I672 HydrophobicContact CD1-CD1 3.8Å; I667-I672 HydrophobicContact CG1-CD1 4.04Å
673A35.8Very low38.6Very low95 Ų95121 Ų12179%0.78566%0.658SS**PPolyproline II helixtrans-74.3131.9178.700000110.7
674K35.4Very low37Very low143 Ų143124 Ų12462%0.62267%0.67SS**PPolyproline II helixtrans-70.6144.3177-74.5-177.6179.11790111.4V662V662-K674 WeakPolarHBondContact O-CE 3.41Å; V662-K674 PolarHBondContact O-NZ 3.39Å
675P35.1Very low36Very low120 Ų120128.6 Ų128.678%0.77970%0.697SS**PPolyproline II helixtrans-67.1140.3168.2-12.627.6000111.1I677P675-I677 PolarHBondContact O-N 3.43Å
676L31.1Very low34.9Very low176 Ų176130.6 Ų130.692%0.92172%0.717SS**PPolyproline II helixtrans-60.6122.6-179.6-75.3128.5000111.1
677I31.9Very low34Very low150 Ų150135.5 Ų135.577%0.76974%0.743SS**PPolyproline II helixtrans-73129.2173.8-58.9166.7000107.6P675 H679P675-I677 PolarHBondContact O-N 3.43Å; I677-H679 PolarHBondContact O-N 3.26Å
678P33.6Very low33.3Very low114 Ų114135.6 Ų135.674%0.7476%0.758SS**PPolyproline II helixtrans-71.6126.5-177.2-7.523.3000110D680P678-D680 PolarHBondContact O-N 3.43Å
679H31.6Very low32Very low192 Ų192137.8 Ų137.889%0.88976%0.764SS**PPolyproline II helixtrans-66.5122.9174.1-104.1-80.9000110.4I677 N681I677-H679 PolarHBondContact O-N 3.26Å; H679-N681 PolarHBondContact O-N 3.15Å
680D29.7Very low31.6Very low148 Ų148137.9 Ų137.979%0.79177%0.765SS**PPolyproline II helixtrans-52.6118.6163.9-76.6-42.1000110.1P678P678-D680 PolarHBondContact O-N 3.43Å
681N29.1Very low31.6Very low143 Ų143140.4 Ų140.477%0.76577%0.774SS**  trans-176.9112.3135.2-89.9-28.1000110H679H679-N681 PolarHBondContact O-N 3.15Å
682Q26.7Very low31.7Very low172 Ų172140.6 Ų140.680%0.80478%0.783SS**  trans42.4109.1144.3-55.9179.19.300117.5
683I27.7Very low32Very low163 Ų163143.2 Ų143.284%0.83680%0.797SS**  173.4135.2115.6-82.4152.6000109.3
684E24.9Very low33.6Very low168 Ų168142.7 Ų142.779%0.78578%0.781SS**  trans-20.3129.6173.9-69167.1147.400119.6
685T25.5Very low35.1Very low127 Ų127141.7 Ų141.778%0.77978%0.781SS**  trans28.395.6134.513.20000118.1
686T27.3Very low36.5Very low144 Ų144140.7 Ų140.788%0.88377%0.769SS**  -143.4129.6129.437.40000109.7
687M24.6Very low38.1Very low181 Ų181138.2 Ų138.289%0.89275%0.753SS**  trans-70.1152.6-175.3-77.4-9017200112.9
688A30.3Very low39.5Very low95 Ų95136.3 Ų136.379%0.78574%0.741SS**  trans85.581.5152.500000119.1
689S31.5Very low41.1Very low100 Ų100139.3 Ų139.370%0.69974%0.737SS**  trans-138.785.6141.362.80000109.6E691S689-E691 PolarHBondContact O-N 2.9Å
690N34.3Very low42.7Very low167 Ų167139 Ų13989%0.89373%0.728SS**  trans-6985.7166.7-77.4-22.4000108.2A692N690-A692 PolarHBondContact O-N 2.94Å
691E39.2Very low44.5Very low178 Ų178136.9 Ų136.983%0.83272%0.716SS**  trans-71.776.5166.1-71.6-173158.900108.8S689 L693S689-E691 PolarHBondContact O-N 2.9Å; E691-L693 PolarHBondContact O-N 2.96Å
692A40.6Very low46.3Very low90 Ų90134.8 Ų134.874%0.74471%0.705SS**  trans-63.5116.6170.200000108.9N690 N694N690-A692 PolarHBondContact O-N 2.94Å; A692-N694 PolarHBondContact O-N 3.49Å; A692-N694 VanDerWaalsContact O-N 3.07Å
693L46Very low48.3Very low142 Ų142132.7 Ų132.774%0.74370%0.695SS**  trans-45.6112.2175.4-77.8157.8000110.8E691 I695E691-L693 PolarHBondContact O-N 2.96Å; L693-I695 PolarHBondContact O-N 2.87Å
694N69.5Low50.4Low84 Ų84130 Ų13045%0.44968%0.679SS.*  trans-76.590.9-179.1-170.1-33000110.1A692 D696 Q697 E698A692-N694 PolarHBondContact O-N 3.49Å; A692-N694 VanDerWaalsContact O-N 3.07Å; N694-D696 PolarHBondContact O-N 3.17Å; N694-D696 PolarHBondContact OD1-N 3.31Å; N694-Q697 HydrophobicContact CB-CB 4.33Å; N694-Q697 HydrophobicContact CB-CG 4.25Å; N694-Q697 PolarHBondContact O-N 2.79Å; N694-Q697 PolarHBondContact OD1-N 2.61Å; N694-E698 PolarHBondContact O-N 3.02Å
695I66.3Low52.6Low121 Ų121126.3 Ų126.362%0.62166%0.663SS**Hα-helixtrans-50.5-32-178.6-62.3168000112.5L693 R699L693-I695 PolarHBondContact O-N 2.87Å; I695-R699 PolarHBondContact O-N 3.4Å
696D64.4Low54.8Low100 Ų100124.2 Ų124.254%0.53565%0.646SS.*Hα-helixtrans-73.4-33.6179.8-81.8-21.3000113.1N694 R700N694-D696 PolarHBondContact O-N 3.17Å; N694-D696 PolarHBondContact OD1-N 3.31Å; D696-R700 WeakPolarHBondContact O-CG 3.42Å; D696-R700 PolarHBondContact O-N 3.42Å
697Q64.8Low56.8Low123 Ų123121.3 Ų121.358%0.57563%0.625SS**Hα-helixtrans-68-42.3173.9-74.8-176.6-25.600110.8N694 R700 L701N694-Q697 HydrophobicContact CB-CB 4.33Å; N694-Q697 HydrophobicContact CB-CG 4.25Å; N694-Q697 PolarHBondContact O-N 2.79Å; N694-Q697 PolarHBondContact OD1-N 2.61Å; Q697-R700 PolarHBondContact O-N 2.89Å; Q697-L701 PolarHBondContact O-N 3.29Å
698E62.7Low59Low110 Ų110118.3 Ų118.351%0.51461%0.607SS.*Hα-helixtrans-68.7-38-179.4-161.8149.6-158.800112N694 R700 L701 L702N694-E698 PolarHBondContact O-N 3.02Å; E698-R700 VanDerWaalsContact C-N 3.35Å; E698-R700 PolarHBondContact O-N 2.96Å; E698-L701 PolarHBondContact O-N 2.93Å; E698-L702 HydrophobicContact CG-CD1 4.48Å; E698-L702 PolarHBondContact O-N 3.44Å
699R66Low61.1Low178 Ų178119.8 Ų119.867%0.67260%0.598SS**Hα-helixtrans-59.1-42.2169.4-88.4-174.3176.4-1731.4112.9I695 L702 H703I695-R699 PolarHBondContact O-N 3.4Å; R699-L702 PolarHBondContact O-N 2.89Å; R699-H703 WeakPolarHBondContact O-CB 3.35Å; R699-H703 PolarHBondContact O-N 2.91Å
700R65.9Low63.2Low185 Ų185119.5 Ų119.570%0.69859%0.589SS**Hα-helixtrans-65.3-43.5178.1-75.4177-171.8171.86.7111.5D696 Q697 E698 H703 E704D696-R700 WeakPolarHBondContact O-CG 3.42Å; D696-R700 PolarHBondContact O-N 3.42Å; Q697-R700 PolarHBondContact O-N 2.89Å; E698-R700 VanDerWaalsContact C-N 3.35Å; E698-R700 PolarHBondContact O-N 2.96Å; R700-H703 PolarHBondContact O-N 3.2Å; R700-E704 PolarHBondContact O-N 3.21Å
701L67.9Low65.3Low103 Ų103117.9 Ų117.954%0.53957%0.574SS.*Hα-helixtrans-60.7-46.4175.4-102.7154.8000111.7Q697 E698 H703 E704 I705Q697-L701 PolarHBondContact O-N 3.29Å; E698-L701 PolarHBondContact O-N 2.93Å; L701-H703 VanDerWaalsContact C-N 3.34Å; L701-H703 PolarHBondContact O-N 3.04Å; L701-E704 PolarHBondContact O-N 3.03Å; L701-I705 HydrophobicContact CD2-CD1 4.3Å; L701-I705 VanDerWaalsContact O-CG1 3.29Å; L701-I705 WeakPolarHBondContact O-CG1 3.32Å; L701-I705 PolarHBondContact O-N 3.1Å
702L65.4Low67.2Low100 Ų100116.7 Ų116.752%0.52457%0.566SS.*Hα-helixtrans-58.3-46.2175.2-115.1101.1000111.6E698 R699 E704 I705 I706E698-L702 HydrophobicContact CG-CD1 4.48Å; E698-L702 PolarHBondContact O-N 3.44Å; R699-L702 PolarHBondContact O-N 2.89Å; L702-E704 VanDerWaalsContact C-N 3.31Å; L702-E704 PolarHBondContact O-N 3.45Å; L702-I705 PolarHBondContact O-N 3.03Å; L702-I706 HydrophobicContact CD2-CD1 4.05Å; L702-I706 WeakPolarHBondContact O-CB 3.18Å; L702-I706 WeakPolarHBondContact O-CG1 2.96Å; L702-I706 PolarHBondContact O-N 3.41Å
703H69.2Low69Low128 Ų128115.8 Ų115.859%0.59355%0.548SS*.Hα-helixtrans-63-39.4-179.4-131.7-63.5000111.8R699 R700 L701 D707R699-H703 WeakPolarHBondContact O-CB 3.35Å; R699-H703 PolarHBondContact O-N 2.91Å; R700-H703 PolarHBondContact O-N 3.2Å; L701-H703 VanDerWaalsContact C-N 3.34Å; L701-H703 PolarHBondContact O-N 3.04Å; H703-D707 VanDerWaalsContact O-CB 3.28Å; H703-D707 WeakPolarHBondContact O-CB 3.37Å; H703-D707 PolarHBondContact O-N 3.4Å
704E72.9Confident70.6Confident106 Ų106116.9 Ų116.950%0.49554%0.543SS..Hα-helixtrans-71.2-36.9179.9-154.2-171.315200112.4R700 L701 L702 K708R700-E704 PolarHBondContact O-N 3.21Å; L701-E704 PolarHBondContact O-N 3.03Å; L702-E704 VanDerWaalsContact C-N 3.31Å; L702-E704 PolarHBondContact O-N 3.45Å; E704-K708 WeakPolarHBondContact O-CB 3.33Å; E704-K708 VanDerWaalsContact O-CG 3.3Å; E704-K708 WeakPolarHBondContact O-CG 3.4Å; E704-K708 PolarHBondContact O-N 2.68Å; E704-K708 WeakPolarHBondContact OE1-CE 3.48Å; E704-K708 IonicContact OE1-NZ 3.21Å; E704-K708 PolarHBondContact OE1-NZ 2.8Å
705I71Confident71.3Confident90 Ų90121 Ų12146%0.46255%0.552SS.*Hα-helixtrans-68.7-49.4176.3-67.6167.6000110.2L701 L702 D707 K708 E709L701-I705 HydrophobicContact CD2-CD1 4.3Å; L701-I705 VanDerWaalsContact O-CG1 3.29Å; L701-I705 WeakPolarHBondContact O-CG1 3.32Å; L701-I705 PolarHBondContact O-N 3.1Å; L702-I705 PolarHBondContact O-N 3.03Å; I705-D707 PolarHBondContact O-N 3.4Å; I705-K708 PolarHBondContact O-N 3.17Å; I705-E709 PolarHBondContact O-N 3.47Å
706I70.1Confident72.2Confident83 Ų83120.4 Ų120.443%0.42655%0.546SS..Hα-helixtrans-60.4-45.1179.6-67.7167.7000110.5L702 K708 E709 D710L702-I706 HydrophobicContact CD2-CD1 4.05Å; L702-I706 WeakPolarHBondContact O-CB 3.18Å; L702-I706 WeakPolarHBondContact O-CG1 2.96Å; L702-I706 PolarHBondContact O-N 3.41Å; I706-K708 VanDerWaalsContact C-N 3.3Å; I706-K708 PolarHBondContact O-N 3.36Å; I706-E709 PolarHBondContact O-N 3.11Å; I706-D710 WeakPolarHBondContact O-CB 3.41Å; I706-D710 PolarHBondContact O-N 3.06Å
707D69.6Low73.1Confident83 Ų83120.8 Ų120.844%0.44454%0.54SS..Hα-helixtrans-63.3-35.5178.7-88.40.6000112.6H703 I705 K711H703-D707 VanDerWaalsContact O-CB 3.28Å; H703-D707 WeakPolarHBondContact O-CB 3.37Å; H703-D707 PolarHBondContact O-N 3.4Å; I705-D707 PolarHBondContact O-N 3.4Å; D707-K711 WeakPolarHBondContact O-CB 3.48Å; D707-K711 PolarHBondContact O-N 3.39Å
708K71.3Confident74Confident118 Ų118117.7 Ų117.751%0.51353%0.527SS..Hα-helixtrans-68.7-41.9176.4-80174-172.9163.20111.2E704 I705 I706 K712E704-K708 WeakPolarHBondContact O-CB 3.33Å; E704-K708 VanDerWaalsContact O-CG 3.3Å; E704-K708 WeakPolarHBondContact O-CG 3.4Å; E704-K708 PolarHBondContact O-N 2.68Å; E704-K708 WeakPolarHBondContact OE1-CE 3.48Å; E704-K708 IonicContact OE1-NZ 3.21Å; E704-K708 PolarHBondContact OE1-NZ 2.8Å; I705-K708 PolarHBondContact O-N 3.17Å; I706-K708 VanDerWaalsContact C-N 3.3Å; I706-K708 PolarHBondContact O-N 3.36Å; K708-K712 PolarHBondContact O-N 2.86Å; K708-K712 VanDerWaalsContact O-N 3.11Å
709E75Confident75.1Confident126 Ų126121.7 Ų121.759%0.58954%0.538SS*.Hα-helixtrans-68.7-43.5176.9-69.5-164.6155.700112.2I705 I706 K711 K712 L713I705-E709 PolarHBondContact O-N 3.47Å; I706-E709 PolarHBondContact O-N 3.11Å; E709-K711 VanDerWaalsContact C-N 3.32Å; E709-K711 PolarHBondContact O-N 2.88Å; E709-K712 WeakPolarHBondContact O-CA 3.42Å; E709-K712 WeakPolarHBondContact O-CB 3.5Å; E709-K712 PolarHBondContact O-N 3.14Å; E709-L713 PolarHBondContact O-N 3.25Å
710D75Confident76Confident94 Ų94118.4 Ų118.450%0.50353%0.53SS..Hα-helixtrans-62.2-40176.5-90.2-16000111.7I706 K712 L713 W714I706-D710 WeakPolarHBondContact O-CB 3.41Å; I706-D710 PolarHBondContact O-N 3.06Å; D710-K712 PolarHBondContact O-N 3.3Å; D710-L713 PolarHBondContact O-N 3.23Å; D710-W714 VanDerWaalsContact O-CB 3.23Å; D710-W714 WeakPolarHBondContact O-CB 3.33Å; D710-W714 PolarHBondContact O-N 2.95Å
711K79Confident76.9Confident134 Ų134118.8 Ų118.858%0.58353%0.531SS*.Hα-helixtrans-60.8-42171.4-91.5175178.8162.80112.2D707 E709 R715D707-K711 WeakPolarHBondContact O-CB 3.48Å; D707-K711 PolarHBondContact O-N 3.39Å; E709-K711 VanDerWaalsContact C-N 3.32Å; E709-K711 PolarHBondContact O-N 2.88Å; K711-R715 WeakPolarHBondContact O-CB 3.44Å; K711-R715 VanDerWaalsContact O-CG 3.28Å; K711-R715 WeakPolarHBondContact O-CG 3.39Å; K711-R715 PolarHBondContact O-N 3.47Å
712K77.8Confident77.8Confident152 Ų152119 Ų11966%0.66153%0.529SS*.Hα-helixtrans-64.1-47.7176.6-78.7180179.3176.50110.9K708 E709 D710 W714 R715 Q716K708-K712 PolarHBondContact O-N 2.86Å; K708-K712 VanDerWaalsContact O-N 3.11Å; E709-K712 WeakPolarHBondContact O-CA 3.42Å; E709-K712 WeakPolarHBondContact O-CB 3.5Å; E709-K712 PolarHBondContact O-N 3.14Å; D710-K712 PolarHBondContact O-N 3.3Å; K712-W714 VanDerWaalsContact C-N 3.34Å; K712-W714 PolarHBondContact O-N 2.83Å; K712-R715 PolarHBondContact O-N 3.31Å; K712-Q716 PolarHBondContact O-N 3.46Å
713L79.3Confident78.8Confident72 Ų72120.1 Ų120.138%0.37753%0.532SS..Hα-helixtrans-63.5-39.6-179.6-16571.7000111.9E709 D710 Q716 R717E709-L713 PolarHBondContact O-N 3.25Å; D710-L713 PolarHBondContact O-N 3.23Å; L713-Q716 PolarHBondContact O-N 3.14Å; L713-R717 PolarHBondContact O-N 3.25Å
714W79.2Confident79.6Confident165 Ų165116.9 Ų116.963%0.62553%0.527SS*.Hα-helixtrans-64.5-45.4175.6-176.786.5000112.2D710 K712 Q716 R717 I718D710-W714 VanDerWaalsContact O-CB 3.23Å; D710-W714 WeakPolarHBondContact O-CB 3.33Å; D710-W714 PolarHBondContact O-N 2.95Å; K712-W714 VanDerWaalsContact C-N 3.34Å; K712-W714 PolarHBondContact O-N 2.83Å; W714-Q716 VanDerWaalsContact C-N 3.29Å; W714-Q716 PolarHBondContact O-N 2.91Å; W714-R717 PolarHBondContact O-N 3.48Å; W714-I718 HydrophobicContact CD2-CD1 3.77Å; W714-I718 HydrophobicContact CD2-CG1 4.5Å; W714-I718 VanDerWaalsContact CE2-CD1 3.43Å; W714-I718 HydrophobicContact CE3-CD1 3.83Å; W714-I718 HydrophobicContact CH2-CD1 3.28Å; W714-I718 HydrophobicContact CZ2-CD1 3.21Å; W714-I718 HydrophobicContact CZ2-CG1 4.48Å; W714-I718 HydrophobicContact CZ3-CD1 3.59Å; W714-I718 PolarHBondContact O-N 3.48Å
715R84.9Confident80.2Confident169 Ų169117.1 Ų117.164%0.63853%0.528SS*.Hα-helixtrans-59.7-40.2174.6-74.1175.2-177.2-174.71.3111.7K711 K712 I718 R719K711-R715 WeakPolarHBondContact O-CB 3.44Å; K711-R715 VanDerWaalsContact O-CG 3.28Å; K711-R715 WeakPolarHBondContact O-CG 3.39Å; K711-R715 PolarHBondContact O-N 3.47Å; K712-R715 PolarHBondContact O-N 3.31Å; R715-I718 PolarHBondContact O-N 3.48Å; R715-R719 PolarHBondContact O-N 2.95Å
716Q84.1Confident80.9Confident109 Ų109121.9 Ų121.951%0.50954%0.54SS..Hα-helixtrans-65.1-43.8177.2-166.3-179.710.400111.9K712 L713 W714 I718 R719 Q720K712-Q716 PolarHBondContact O-N 3.46Å; L713-Q716 PolarHBondContact O-N 3.14Å; W714-Q716 VanDerWaalsContact C-N 3.29Å; W714-Q716 PolarHBondContact O-N 2.91Å; Q716-I718 PolarHBondContact O-N 3.5Å; Q716-R719 PolarHBondContact O-N 3.22Å; Q716-Q720 WeakPolarHBondContact O-CG 3.37Å; Q716-Q720 PolarHBondContact O-N 2.87Å
717R83.2Confident81.7Confident109 Ų109125 Ų12541%0.41155%0.551SS.*Hα-helixtrans-61.8-40.3175.7-77.1-175.9-177148.17.3112.7L713 W714 Q720 R721L713-R717 PolarHBondContact O-N 3.25Å; W714-R717 PolarHBondContact O-N 3.48Å; R717-Q720 PolarHBondContact O-N 3.21Å; R717-R721 PolarHBondContact O-N 3.15Å
718I84.2Confident82.5Confident58 Ų58127.3 Ų127.330%0.29756%0.557SS.*Hα-helixtrans-64.1-44.8175.6-75.4-178000111.1W714 R715 Q716 Q720 R721 H722W714-I718 HydrophobicContact CD2-CD1 3.77Å; W714-I718 HydrophobicContact CD2-CG1 4.5Å; W714-I718 VanDerWaalsContact CE2-CD1 3.43Å; W714-I718 HydrophobicContact CE3-CD1 3.83Å; W714-I718 HydrophobicContact CH2-CD1 3.28Å; W714-I718 HydrophobicContact CZ2-CD1 3.21Å; W714-I718 HydrophobicContact CZ2-CG1 4.48Å; W714-I718 HydrophobicContact CZ3-CD1 3.59Å; W714-I718 PolarHBondContact O-N 3.48Å; R715-I718 PolarHBondContact O-N 3.48Å; Q716-I718 PolarHBondContact O-N 3.5Å; I718-Q720 VanDerWaalsContact C-N 3.33Å; I718-Q720 PolarHBondContact O-N 3.4Å; I718-R721 PolarHBondContact O-N 3.24Å; I718-H722 PolarHBondContact O-CD2 3.03Å; I718-H722 VanDerWaalsContact O-CD2 3.23Å; I718-H722 PolarHBondContact O-N 3.14Å
719R86.5Confident83.1Confident194 Ų194126.4 Ų126.473%0.73256%0.557SS**Hα-helixtrans-57.1-45.8174.2-94.4-177.4175.2164.7-1.4111.9R715 Q716 R721 H722 Q723R715-R719 PolarHBondContact O-N 2.95Å; Q716-R719 PolarHBondContact O-N 3.22Å; R719-R721 VanDerWaalsContact C-N 3.34Å; R719-R721 PolarHBondContact O-N 3.02Å; R719-H722 PolarHBondContact O-N 2.89Å; R719-Q723 WeakPolarHBondContact O-CB 3.3Å; R719-Q723 WeakPolarHBondContact O-CG 3.18Å; R719-Q723 PolarHBondContact O-N 3.5Å
720Q85.1Confident83.7Confident108 Ų108127.9 Ų127.951%0.50556%0.562SS.*Hα-helixtrans-62.3-40.6177.3-73.1176.4-6.100112.1Q716 R717 I718 Q723 A724Q716-Q720 WeakPolarHBondContact O-CG 3.37Å; Q716-Q720 PolarHBondContact O-N 2.87Å; R717-Q720 PolarHBondContact O-N 3.21Å; I718-Q720 VanDerWaalsContact C-N 3.33Å; I718-Q720 PolarHBondContact O-N 3.4Å; Q720-Q723 PolarHBondContact O-N 3.02Å; Q720-A724 WeakPolarHBondContact O-CB 3.37Å; Q720-A724 PolarHBondContact O-N 3.36Å
721R85Confident84.1Confident194 Ų194129 Ų12973%0.73256%0.564SS**Hα-helixtrans-61.8-47.4176.4-170180-172.1168.12.6111.9R717 I718 R719 Q723 A724 E725R717-R721 PolarHBondContact O-N 3.15Å; I718-R721 PolarHBondContact O-N 3.24Å; R719-R721 VanDerWaalsContact C-N 3.34Å; R719-R721 PolarHBondContact O-N 3.02Å; R721-Q723 VanDerWaalsContact C-N 3.33Å; R721-Q723 PolarHBondContact O-N 3.32Å; R721-A724 PolarHBondContact O-N 2.96Å; R721-E725 WeakPolarHBondContact O-CB 3.25Å; R721-E725 PolarHBondContact O-N 3.48Å
722H87.2Confident84.3Confident107 Ų107127.3 Ų127.350%0.49556%0.558SS.*Hα-helixtrans-64.8-36.3176.5-75.3-63.4000112.5I718 R719 E725 R726I718-H722 PolarHBondContact O-CD2 3.03Å; I718-H722 VanDerWaalsContact O-CD2 3.23Å; I718-H722 PolarHBondContact O-N 3.14Å; R719-H722 PolarHBondContact O-N 2.89Å; H722-E725 PolarHBondContact O-N 3.18Å; H722-R726 WeakPolarHBondContact O-CB 3.1Å; H722-R726 WeakPolarHBondContact O-CG 3.25Å; H722-R726 PolarHBondContact O-N 3.19Å
723Q85.1Confident84.4Confident123 Ų123129.7 Ų129.758%0.57556%0.563SS**Hα-helixtrans-64.4-42.4173.8-77.1178.9-5.300112R719 Q720 R721 R726 K727R719-Q723 WeakPolarHBondContact O-CB 3.3Å; R719-Q723 WeakPolarHBondContact O-CG 3.18Å; R719-Q723 PolarHBondContact O-N 3.5Å; Q720-Q723 PolarHBondContact O-N 3.02Å; R721-Q723 VanDerWaalsContact C-N 3.33Å; R721-Q723 PolarHBondContact O-N 3.32Å; Q723-R726 PolarHBondContact O-N 3.32Å; Q723-K727 WeakPolarHBondContact O-CG 3.41Å; Q723-K727 PolarHBondContact O-N 3.34Å
724A85.7Confident84.6Confident60 Ų60133.2 Ų133.250%0.49658%0.575SS.*Hα-helixtrans-64-42176.400000111.9Q720 R721 K727 K728Q720-A724 WeakPolarHBondContact O-CB 3.37Å; Q720-A724 PolarHBondContact O-N 3.36Å; R721-A724 PolarHBondContact O-N 2.96Å; A724-K727 PolarHBondContact O-N 3.33Å; A724-K728 PolarHBondContact O-N 2.91Å
725E85.5Confident84.7Confident111 Ų111132 Ų13252%0.51957%0.574SS.*Hα-helixtrans-65.2-41.7177.4-166.2169-152.500112R721 H722 K727 K728 L729R721-E725 WeakPolarHBondContact O-CB 3.25Å; R721-E725 PolarHBondContact O-N 3.48Å; H722-E725 PolarHBondContact O-N 3.18Å; E725-K727 PolarHBondContact O-N 2.7Å; E725-K728 PolarHBondContact O-N 2.92Å; E725-L729 PolarHBondContact O-N 2.68Å
726R86.2Confident84.2Confident191 Ų191129.6 Ų129.672%0.72157%0.574SS**Hα-helixtrans-63.2-39.5173-76.1179.8108.7-174.75.7112.7H722 Q723 K730H722-R726 WeakPolarHBondContact O-CB 3.1Å; H722-R726 WeakPolarHBondContact O-CG 3.25Å; H722-R726 PolarHBondContact O-N 3.19Å; Q723-R726 PolarHBondContact O-N 3.32Å; R726-K730 PolarHBondContact O-N 3.33Å; R726-K730 VanDerWaalsContact O-N 3.07Å
727K85.9Confident83.8Confident148 Ų148128 Ų12864%0.64357%0.574SS**Hα-helixtrans-63.4-44.7174.9-78.6-175.9177.6-175.50111.1Q723 A724 E725 L729 K730 E731Q723-K727 WeakPolarHBondContact O-CG 3.41Å; Q723-K727 PolarHBondContact O-N 3.34Å; A724-K727 PolarHBondContact O-N 3.33Å; E725-K727 PolarHBondContact O-N 2.7Å; K727-L729 PolarHBondContact O-N 3.15Å; K727-K730 WeakPolarHBondContact O-CB 3.28Å; K727-K730 PolarHBondContact O-N 3.13Å; K727-E731 PolarHBondContact O-N 3.44Å
728K87.3Confident83.2Confident131 Ų131129.5 Ų129.557%0.5759%0.586SS**Hα-helixtrans-60.4-45.4177.8-166.9-178.2176.1-168.90112.4A724 E725 K730 E731 E732A724-K728 PolarHBondContact O-N 2.91Å; E725-K728 PolarHBondContact O-N 2.92Å; K728-K730 VanDerWaalsContact C-N 3.33Å; K728-K730 PolarHBondContact O-N 2.6Å; K728-E731 PolarHBondContact O-N 3.44Å; K728-E732 WeakPolarHBondContact CE-OE1 3.24Å; K728-E732 PolarHBondContact O-N 3.19Å
729L84.5Confident82.4Confident99 Ų99134 Ų13452%0.51861%0.609SS.*Hα-helixtrans-63.5-36.1175.7-75167.2000112.7E725 K727 R733E725-L729 PolarHBondContact O-N 2.68Å; K727-L729 PolarHBondContact O-N 3.15Å; L729-R733 WeakPolarHBondContact O-CG 3.4Å; L729-R733 PolarHBondContact O-N 3.08Å
730K86.1Confident80.8Confident157 Ų157130.4 Ų130.468%0.68361%0.605SS**Hα-helixtrans-66.3-40.9173.9-84-172.7174.5-172.70112.2R726 K727 K728 R733 K734R726-K730 PolarHBondContact O-N 3.33Å; R726-K730 VanDerWaalsContact O-N 3.07Å; K727-K730 WeakPolarHBondContact O-CB 3.28Å; K727-K730 PolarHBondContact O-N 3.13Å; K728-K730 VanDerWaalsContact C-N 3.33Å; K728-K730 PolarHBondContact O-N 2.6Å; K730-R733 PolarHBondContact O-N 3.15Å; K730-K734 PolarHBondContact O-N 3.13Å
731E84.7Confident78.7Confident118 Ų118128.9 Ų128.955%0.55161%0.606SS**Hα-helixtrans-66.4-42.4175.9-75.8174.3-169.300112K727 K728 R733 K734 K735K727-E731 PolarHBondContact O-N 3.44Å; K728-E731 PolarHBondContact O-N 3.44Å; E731-R733 VanDerWaalsContact C-N 3.32Å; E731-R733 PolarHBondContact O-N 3.37Å; E731-K734 PolarHBondContact O-N 3.16Å; E731-K735 WeakPolarHBondContact O-CG 3.19Å; E731-K735 PolarHBondContact O-N 3.43Å
732E83.1Confident76.8Confident98 Ų98125 Ų12546%0.45861%0.606SS.*Hα-helixtrans-60.1-42.2174.3-77.5174.7-175.700111.4K728 K735 L736K728-E732 WeakPolarHBondContact CE-OE1 3.24Å; K728-E732 PolarHBondContact O-N 3.19Å; E732-K735 PolarHBondContact O-N 3.49Å; E732-L736 PolarHBondContact O-N 2.88Å
733R79.6Confident74.6Confident202 Ų202129.6 Ų129.676%0.76263%0.625SS**Hα-helixtrans-61.8-43.5173.7-80.7-176.7171.3-167.8-3.1113.2L729 K730 E731 L736 S737L729-R733 WeakPolarHBondContact O-CG 3.4Å; L729-R733 PolarHBondContact O-N 3.08Å; K730-R733 PolarHBondContact O-N 3.15Å; E731-R733 VanDerWaalsContact C-N 3.32Å; E731-R733 PolarHBondContact O-N 3.37Å; R733-L736 PolarHBondContact O-N 3.33Å; R733-S737 PolarHBondContact O-N 3.17Å
734K83Confident72.4Confident147 Ų147129.4 Ų129.464%0.63963%0.632SS**Hα-helixtrans-64.2-38.6176.7-79.1-172.5175.1-171.40112.5K730 E731 L736 S737 Q738K730-K734 PolarHBondContact O-N 3.13Å; E731-K734 PolarHBondContact O-N 3.16Å; K734-L736 VanDerWaalsContact C-N 3.34Å; K734-S737 PolarHBondContact O-N 2.96Å; K734-S737 PolarHBondContact O-OG 3.46Å; K734-Q738 WeakPolarHBondContact O-CG 3.49Å; K734-Q738 PolarHBondContact O-N 3.08Å
735K80.9Confident70.1Confident139 Ų139131.5 Ų131.560%0.60464%0.643SS**Hα-helixtrans-64.5-40.8174.6-73.9-178.9179.8-177.50111.3E731 E732 Q738 L739E731-K735 WeakPolarHBondContact O-CG 3.19Å; E731-K735 PolarHBondContact O-N 3.43Å; E732-K735 PolarHBondContact O-N 3.49Å; K735-Q738 PolarHBondContact O-N 2.81Å; K735-L739 PolarHBondContact O-N 3.34Å
736L75.3Confident67.9Low119 Ų119134.2 Ų134.262%0.62366%0.66SS**Hα-helixtrans-63.9-40.7176.6-138.883.2000111.8E732 R733 K734 L739 N740E732-L736 PolarHBondContact O-N 2.88Å; R733-L736 PolarHBondContact O-N 3.33Å; K734-L736 VanDerWaalsContact C-N 3.34Å; L736-L739 PolarHBondContact O-N 3.45Å; L736-N740 PolarHBondContact O-N 2.83Å
737S75.4Confident65.5Low74 Ų74134 Ų13452%0.51766%0.664SS.*Hα-helixtrans-69.2-36.8178.268.60000112.6R733 K734 N740 S741R733-S737 PolarHBondContact O-N 3.17Å; K734-S737 PolarHBondContact O-N 2.96Å; K734-S737 PolarHBondContact O-OG 3.46Å; S737-N740 PolarHBondContact O-N 3.31Å; S737-S741 PolarHBondContact O-N 3.09Å
738Q71.5Confident63.2Low142 Ų142135.8 Ų135.866%0.66468%0.675SS**Hα-helixtrans-70.9-30176.5-75.2179.4-12.200113.1K734 K735 N740 S741K734-Q738 WeakPolarHBondContact O-CG 3.49Å; K734-Q738 PolarHBondContact O-N 3.08Å; K735-Q738 PolarHBondContact O-N 2.81Å; Q738-N740 VanDerWaalsContact C-N 3.27Å; Q738-S741 PolarHBondContact O-OG 2.93Å; Q738-S741 VanDerWaalsContact O-OG 3.05Å
739L66.1Low60.6Low151 Ų151136.7 Ų136.779%0.79169%0.686SS**Hα-helixtrans-70-28.7172.9-121.384.2000112.3K735 L736K735-L739 PolarHBondContact O-N 3.34Å; L736-L739 PolarHBondContact O-N 3.45Å
740N53.5Low58Low120 Ų120137.5 Ų137.564%0.64270%0.7SS**SBendtrans-93.7-0.1-174.5-74.9-2000114.1L736 S737 Q738 P742L736-N740 PolarHBondContact O-N 2.83Å; S737-N740 PolarHBondContact O-N 3.31Å; Q738-N740 VanDerWaalsContact C-N 3.27Å; N740-P742 VanDerWaalsContact O-CD 3.3Å; N740-P742 WeakPolarHBondContact O-CD 3.35Å
741S41.6Very low55.5Low76 Ų76134.9 Ų134.953%0.53170%0.701SS.*SBendtrans-77.4113.6171.2500000109.8S737 Q738 K743S737-S741 PolarHBondContact O-N 3.09Å; Q738-S741 PolarHBondContact O-OG 2.93Å; Q738-S741 VanDerWaalsContact O-OG 3.05Å; S741-K743 PolarHBondContact O-N 3.19Å
742P44.8Very low53Low112 Ų112136.5 Ų136.573%0.72771%0.714SS**  trans-68.1127-174.926.4-31000110.2N740 V744N740-P742 VanDerWaalsContact O-CD 3.3Å; N740-P742 WeakPolarHBondContact O-CD 3.35Å; P742-V744 PolarHBondContact O-N 3.27Å
743K41Very low50.7Low203 Ų203136.9 Ų136.988%0.88373%0.727SS**  trans-65.495.6168.9-75.9-178175.5-178.80108.3S741 S745S741-K743 PolarHBondContact O-N 3.19Å; K743-S745 VanDerWaalsContact C-N 3.31Å; K743-S745 PolarHBondContact O-N 3.21Å
744V39.5Very low48.5Very low119 Ų119133.3 Ų133.372%0.72173%0.728SS**  trans-71.791.8166.8-179.10000107.1P742 L746P742-V744 PolarHBondContact O-N 3.27Å; V744-L746 HydrophobicContact CG1-CD2 4.48Å; V744-L746 HydrophobicContact CG1-CG 4.2Å; V744-L746 PolarHBondContact O-N 3.12Å
745S37.5Very low46.3Very low104 Ų104133.5 Ų133.573%0.72773%0.734SS**  trans-79.198.5165.952.50000108.2K743 K747K743-S745 VanDerWaalsContact C-N 3.31Å; K743-S745 PolarHBondContact O-N 3.21Å; S745-K747 PolarHBondContact O-N 2.99Å; S745-K747 VanDerWaalsContact O-N 3.12Å
746L38.9Very low44.2Very low168 Ų168135.6 Ų135.688%0.8875%0.747SS**  trans-69101.4167.3-72.8163.6000108.4V744V744-L746 HydrophobicContact CG1-CD2 4.48Å; V744-L746 HydrophobicContact CG1-CG 4.2Å; V744-L746 PolarHBondContact O-N 3.12Å
747K35.4Very low42.3Very low186 Ų186137 Ų13781%0.80976%0.755SS**  trans-128.4118.9160.5-92.5-170.4174.2-174.50106.2S745S745-K747 PolarHBondContact O-N 2.99Å; S745-K747 VanDerWaalsContact O-N 3.12Å
748E36.7Very low40.2Very low186 Ų186142.8 Ų142.887%0.86977%0.774SS**  trans166.798.7150.9-93.9163.7-161.900105.7
749N32.6Very low38.7Very low151 Ų151141.1 Ų141.181%0.80778%0.777SS**  63.6117.383.7-80.3-0.9000114.4
750S31.6Very low37.4Very low116 Ų116145.5 Ų145.581%0.81180%0.802SS**  trans62.4138151.557.30000116.8
751S32.4Very low36.6Very low101 Ų101146.8 Ų146.871%0.70681%0.81SS**  cis-170.8151.529.940.20000108.8
752D32.5Very low36.3Very low152 Ų152150.5 Ų150.581%0.81382%0.824SS**  trans37.3118.1145.2-69.5-26.8000120.5
753S34.8Very low35.9Very low107 Ų107152.7 Ų152.775%0.74883%0.83SS**  170.3123.495.142.10000110.9
754T33.4Very low35.6Very low127 Ų127149.7 Ų149.778%0.77983%0.827SS**  trans13128.3140.142.20000118.3
755I36.5Very low35.3Very low150 Ų150151.6 Ų151.677%0.76983%0.833SS**  -163.1110.9113.7-87.5143.8000106.8
756E36.2Very low35.2Very low184 Ų184154.8 Ų154.886%0.8684%0.84SS**  trans-57.2134.5159.1-68.6166.2152.300108.7
757N37.1Very low34.9Very low149 Ų149153.9 Ų153.980%0.79784%0.838SS**  trans-143.594.7152.5-90.8-32000106.7
758E30.5Very low34.8Very low195 Ų195151.4 Ų151.491%0.91184%0.84SS**  trans-57.8132.8154.9-72.5177139.300109.6
759S39.4Very low34.7Very low106 Ų106148.5 Ų148.574%0.74184%0.837SS**  trans-160.6113.4148.4520000108.3
760D39.3Very low34.9Very low244 Ų244148.3 Ų148.3100%1.30584%0.84SS**  trans62.30159.5-56.9-24.8000121.2

Retrieved 760 of 760 residues in 1538.4 ms (Link to these results)

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