A0A5K4ECL2_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ECL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 848 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
1M57.7Low71.6Confident207 Ų207123.3 Ų123.3100%1.0264%0.639SS**  0-53.60-117.7173177.900112.6H3 K4 L5M1-H3 VanDerWaalsContact C-N 3.28Å; M1-H3 PolarHBondContact O-N 3.1Å; M1-H3 VanDerWaalsContact O-N 3.12Å; M1-K4 PolarHBondContact O-N 3.36Å; M1-L5 PolarHBondContact O-N 2.95Å
2L65.1Low71.9Confident146 Ų146121.3 Ų121.376%0.76463%0.63SS**Hα-helixtrans-48-42.5-177.3-83.679.4000114.7K4 L5 Y6L2-K4 PolarHBondContact O-N 3.47Å; L2-L5 WeakPolarHBondContact O-CB 3.14Å; L2-L5 PolarHBondContact O-N 2.95Å; L2-Y6 PolarHBondContact O-N 2.96Å
3H65.9Low72.2Confident170 Ų170118.6 Ų118.679%0.78762%0.615SS**Hα-helixtrans-63.2-25.1-179-149.6-72.7000114.4M1 S7M1-H3 VanDerWaalsContact C-N 3.28Å; M1-H3 PolarHBondContact O-N 3.1Å; M1-H3 VanDerWaalsContact O-N 3.12Å; H3-S7 PolarHBondContact O-N 3.46Å
4K71.1Confident72.4Confident179 Ų179121.2 Ų121.278%0.77862%0.615SS**Hα-helixtrans-79.3-37.1172-73.3-166.7174.1-170.70111.8M1 L2 S8M1-K4 PolarHBondContact O-N 3.36Å; L2-K4 PolarHBondContact O-N 3.47Å; K4-S8 WeakPolarHBondContact O-CB 3.17Å; K4-S8 PolarHBondContact O-N 3.33Å
5L71.6Confident72.6Confident106 Ų106118.1 Ų118.156%0.55561%0.608SS**Hα-helixtrans-64.4-42.9173.9-79.8157.3000111.6M1 L2 S8 L9M1-L5 PolarHBondContact O-N 2.95Å; L2-L5 WeakPolarHBondContact O-CB 3.14Å; L2-L5 PolarHBondContact O-N 2.95Å; L5-S8 PolarHBondContact O-N 3.33Å; L5-L9 PolarHBondContact O-N 3.27Å
6Y76.7Confident72.5Confident169 Ų169117.9 Ų117.966%0.66361%0.608SS**Hα-helixtrans-65-45.1179.7-155.3-104.2000112.1L2 S8 L9 I10L2-Y6 PolarHBondContact O-N 2.96Å; Y6-S8 VanDerWaalsContact C-N 3.34Å; Y6-S8 PolarHBondContact O-N 3.05Å; Y6-L9 PolarHBondContact O-N 3.15Å; Y6-I10 HydrophobicContact CD1-CD1 3.63Å; Y6-I10 HydrophobicContact CD1-CG1 4.49Å; Y6-I10 HydrophobicContact CE1-CD1 3.64Å; Y6-I10 HydrophobicContact CE1-CG1 4.5Å; Y6-I10 WeakPolarHBondContact O-CG1 3.44Å; Y6-I10 PolarHBondContact O-N 3.03Å
7S74Confident72.3Confident80 Ų80117.1 Ų117.156%0.55960%0.604SS**Hα-helixtrans-63.1-39.4174.4-1710000112.2H3 I10 G11H3-S7 PolarHBondContact O-N 3.46Å; S7-I10 PolarHBondContact O-N 3.06Å; S7-G11 PolarHBondContact O-N 3.01Å
8S75.1Confident72.3Confident77 Ų77116.7 Ų116.754%0.53860%0.603SS.*Hα-helixtrans-66.9-36.5175.5-1650000113.1K4 L5 Y6 L12K4-S8 WeakPolarHBondContact O-CB 3.17Å; K4-S8 PolarHBondContact O-N 3.33Å; L5-S8 PolarHBondContact O-N 3.33Å; Y6-S8 VanDerWaalsContact C-N 3.34Å; Y6-S8 PolarHBondContact O-N 3.05Å; S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 PolarHBondContact O-N 2.93Å; S8-L12 VanDerWaalsContact O-N 3.17Å
9L73.2Confident72.1Confident106 Ų106114.8 Ų114.856%0.55560%0.598SS**Hα-helixtrans-67.1-43.5174.4-108.993.8000111.5L5 Y6 G11 L12 I13L5-L9 PolarHBondContact O-N 3.27Å; Y6-L9 PolarHBondContact O-N 3.15Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-G11 PolarHBondContact O-N 3.41Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-I13 WeakPolarHBondContact O-CB 3.42Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 3.3Å
10I79.8Confident71.9Confident74 Ų74111.9 Ų111.938%0.37959%0.588SS.*Hα-helixtrans-59.4-46.7177-71.1168000110.2Y6 S7 L12 I13 Y14Y6-I10 HydrophobicContact CD1-CD1 3.63Å; Y6-I10 HydrophobicContact CD1-CG1 4.49Å; Y6-I10 HydrophobicContact CE1-CD1 3.64Å; Y6-I10 HydrophobicContact CE1-CG1 4.5Å; Y6-I10 WeakPolarHBondContact O-CG1 3.44Å; Y6-I10 PolarHBondContact O-N 3.03Å; S7-I10 PolarHBondContact O-N 3.06Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 2.72Å; I10-I13 PolarHBondContact O-N 2.94Å; I10-Y14 HydrophobicContact CG2-CD2 3.69Å; I10-Y14 HydrophobicContact CG2-CE2 3.78Å; I10-Y14 WeakPolarHBondContact O-CD2 3.27Å; I10-Y14 PolarHBondContact O-N 3.32Å
11G77.6Confident71.7Confident42 Ų42112 Ų11243%0.43359%0.589SS.*Hα-helixtrans-57.6-41175.800000113.3S7 L9 Y14 S15S7-G11 PolarHBondContact O-N 3.01Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-G11 PolarHBondContact O-N 3.41Å; G11-Y14 PolarHBondContact O-N 2.93Å; G11-S15 PolarHBondContact O-N 3.47Å; G11-S15 PolarHBondContact O-OG 3.24Å
12L75.5Confident72.4Confident100 Ų100105.3 Ų105.352%0.52456%0.562SS.*Hα-helixtrans-70-37.1179.6-133.6153.7000112.4S8 L9 I10 S15 L16S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 PolarHBondContact O-N 2.93Å; S8-L12 VanDerWaalsContact O-N 3.17Å; L9-L12 PolarHBondContact O-N 3.46Å; I10-L12 VanDerWaalsContact C-N 3.3Å; I10-L12 PolarHBondContact O-N 2.72Å; L12-S15 WeakPolarHBondContact CA-OG 3.47Å; L12-S15 PolarHBondContact O-OG 2.89Å; L12-L16 HydrophobicContact CD2-CD1 3.75Å; L12-L16 HydrophobicContact CD2-CG 4.41Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 2.91Å
13I76Confident72.5Confident86 Ų86103.2 Ų103.244%0.44155%0.551SS.*Hα-helixtrans-65.9-45.5174-71164.5000110.7L9 I10 L16 L17L9-I13 WeakPolarHBondContact O-CB 3.42Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 3.3Å; I10-I13 PolarHBondContact O-N 2.94Å; I13-L16 PolarHBondContact O-N 3.37Å; I13-L17 HydrophobicContact CG2-CD1 3.58Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CB 3.09Å; I13-L17 WeakPolarHBondContact O-CG 3.35Å; I13-L17 PolarHBondContact O-N 3.46Å
14Y75Confident72.4Confident155 Ų155100.5 Ų100.561%0.60854%0.542SS*.Hα-helixtrans-63.7-41.6175.6-88.4-79.3000112.3I10 G11 L16 L17 L18I10-Y14 HydrophobicContact CG2-CD2 3.69Å; I10-Y14 HydrophobicContact CG2-CE2 3.78Å; I10-Y14 WeakPolarHBondContact O-CD2 3.27Å; I10-Y14 PolarHBondContact O-N 3.32Å; G11-Y14 PolarHBondContact O-N 2.93Å; Y14-L16 VanDerWaalsContact C-N 3.27Å; Y14-L16 PolarHBondContact O-N 3.36Å; Y14-L17 PolarHBondContact O-N 3.42Å; Y14-L18 HydrophobicContact CD1-CD1 3.74Å; Y14-L18 VanDerWaalsContact O-CD1 3.29Å; Y14-L18 WeakPolarHBondContact O-CD1 3.36Å; Y14-L18 PolarHBondContact O-N 3.44Å; Y14-L18 VanDerWaalsContact O-N 3.11Å
15S74.6Confident72.1Confident74 Ų7496.7 Ų96.752%0.51753%0.53SS..Hα-helixtrans-66.4-25.9178.859.50000114.2G11 L12 P19G11-S15 PolarHBondContact O-N 3.47Å; G11-S15 PolarHBondContact O-OG 3.24Å; L12-S15 WeakPolarHBondContact CA-OG 3.47Å; L12-S15 PolarHBondContact O-OG 2.89Å; S15-P19 VanDerWaalsContact O-CD 3.23Å; S15-P19 WeakPolarHBondContact O-CD 3.37Å; S15-P19 WeakPolarHBondContact O-CG 3.29Å
16L71.3Confident71.7Confident116 Ų11696.9 Ų96.961%0.60753%0.531SS*.Hα-helixtrans-86.9-35.4176.6-72.8168.1000112.5L12 I13 Y14 S20L12-L16 HydrophobicContact CD2-CD1 3.75Å; L12-L16 HydrophobicContact CD2-CG 4.41Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 2.91Å; I13-L16 PolarHBondContact O-N 3.37Å; Y14-L16 VanDerWaalsContact C-N 3.27Å; Y14-L16 PolarHBondContact O-N 3.36Å; L16-S20 PolarHBondContact O-OG 3.45Å
17L69.4Low70.8Confident104 Ų10494.9 Ų94.955%0.54553%0.526SS..Hα-helixtrans-80.6-35.5-176.6-74.1171000114.3I13 Y14 S20 L21I13-L17 HydrophobicContact CG2-CD1 3.58Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CB 3.09Å; I13-L17 WeakPolarHBondContact O-CG 3.35Å; I13-L17 PolarHBondContact O-N 3.46Å; Y14-L17 PolarHBondContact O-N 3.42Å; L17-S20 WeakPolarHBondContact CA-OG 3.33Å; L17-S20 PolarHBondContact O-N 3.31Å; L17-S20 PolarHBondContact O-OG 2.83Å; L17-L21 WeakPolarHBondContact O-CB 3.5Å; L17-L21 PolarHBondContact O-N 2.78Å
18L71.3Confident69.9Low110 Ų11093.8 Ų93.858%0.57652%0.518SS*.Hα-helixtrans-57.2-51.1179.2-99.479000114.3Y14 S20 L21 S22Y14-L18 HydrophobicContact CD1-CD1 3.74Å; Y14-L18 VanDerWaalsContact O-CD1 3.29Å; Y14-L18 WeakPolarHBondContact O-CD1 3.36Å; Y14-L18 PolarHBondContact O-N 3.44Å; Y14-L18 VanDerWaalsContact O-N 3.11Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 2.82Å; L18-L21 PolarHBondContact O-N 3.43Å; L18-S22 PolarHBondContact O-N 3.49Å
19P68.4Low69Low80 Ų8096.2 Ų96.252%0.51952%0.519SS..Hα-helixtrans-66-35.9-178.124.3-33000112.4S15 S22 L23S15-P19 VanDerWaalsContact O-CD 3.23Å; S15-P19 WeakPolarHBondContact O-CD 3.37Å; S15-P19 WeakPolarHBondContact O-CG 3.29Å; P19-S22 PolarHBondContact O-N 2.88Å; P19-L23 PolarHBondContact O-N 3.46Å
20S68.9Low68.2Low56 Ų5697.5 Ų97.539%0.39252%0.522SS..Hα-helixtrans-66.9-37.3175.145.70000113.3L16 L17 L18 L23 L24L16-S20 PolarHBondContact O-OG 3.45Å; L17-S20 WeakPolarHBondContact CA-OG 3.33Å; L17-S20 PolarHBondContact O-N 3.31Å; L17-S20 PolarHBondContact O-OG 2.83Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 2.82Å; S20-L23 PolarHBondContact O-N 3.29Å; S20-L24 PolarHBondContact O-N 2.93Å; S20-L24 VanDerWaalsContact O-N 3.11Å
21L68.6Low66.9Low115 Ų11597.8 Ų97.860%0.60253%0.528SS*.Hα-helixtrans-70.8-37.1177.5-152.477.2000111.5L17 L18 L24 L25L17-L21 WeakPolarHBondContact O-CB 3.5Å; L17-L21 PolarHBondContact O-N 2.78Å; L18-L21 PolarHBondContact O-N 3.43Å; L21-L24 PolarHBondContact O-N 3.48Å; L21-L25 WeakPolarHBondContact O-CG 3.41Å; L21-L25 PolarHBondContact O-N 3.25Å
22S70.6Confident65.7Low67 Ų6798.7 Ų98.747%0.46953%0.527SS..Hα-helixtrans-64.3-40.7174.2-164.60000112.1L18 P19 L25 L26L18-S22 PolarHBondContact O-N 3.49Å; P19-S22 PolarHBondContact O-N 2.88Å; S22-L25 PolarHBondContact O-N 3.07Å; S22-L26 WeakPolarHBondContact O-CG 3.22Å; S22-L26 PolarHBondContact O-N 2.81Å
23L67.8Low64.5Low101 Ų101100.4 Ų100.453%0.52953%0.531SS..Hα-helixtrans-64.7-43176.4-151.379.1000111.8P19 S20 L25 L26 F27P19-L23 PolarHBondContact O-N 3.46Å; S20-L23 PolarHBondContact O-N 3.29Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 2.89Å; L23-L26 PolarHBondContact O-N 3.29Å; L23-F27 HydrophobicContact CD2-CE2 4.01Å; L23-F27 HydrophobicContact CG-CD2 4.16Å; L23-F27 HydrophobicContact CG-CE2 3.92Å; L23-F27 VanDerWaalsContact O-CD2 3.28Å; L23-F27 WeakPolarHBondContact O-CD2 3.37Å; L23-F27 PolarHBondContact O-N 2.97Å
24L63.4Low63.3Low113 Ų113101 Ų10159%0.59253%0.534SS*.Hα-helixtrans-61.8-37.4175.1-91.1158.9000112.9S20 L21 S28S20-L24 PolarHBondContact O-N 2.93Å; S20-L24 VanDerWaalsContact O-N 3.11Å; L21-L24 PolarHBondContact O-N 3.48Å; L24-S28 WeakPolarHBondContact O-CB 3.27Å; L24-S28 PolarHBondContact O-N 3.48Å; L24-S28 PolarHBondContact O-OG 3.31Å
25L64.8Low61.8Low99 Ų9996.7 Ų96.752%0.51853%0.527SS..Hα-helixtrans-67.6-42.6174.1-74.7168.3000111.6L21 S22 L23 S28 F29L21-L25 WeakPolarHBondContact O-CG 3.41Å; L21-L25 PolarHBondContact O-N 3.25Å; S22-L25 PolarHBondContact O-N 3.07Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 2.89Å; L25-S28 PolarHBondContact O-N 3.4Å; L25-S28 VanDerWaalsContact O-N 3.14Å; L25-F29 WeakPolarHBondContact O-CD2 3.47Å; L25-F29 PolarHBondContact O-N 3.02Å
26L64.3Low60.6Low110 Ų11098.6 Ų98.658%0.57653%0.53SS*.Hα-helixtrans-60.4-46.6175.7-74165.9000112.1S22 L23 S28 F29 E30S22-L26 WeakPolarHBondContact O-CG 3.22Å; S22-L26 PolarHBondContact O-N 2.81Å; L23-L26 PolarHBondContact O-N 3.29Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.13Å; L26-F29 PolarHBondContact O-N 3.44Å; L26-F29 VanDerWaalsContact O-N 3.16Å; L26-E30 PolarHBondContact O-N 2.92Å
27F56.7Low59.3Low127 Ų127103.4 Ų103.456%0.55754%0.54SS*.Hα-helixtrans-63.4-29.4174.1-81.6-65.9000113.5L23 T31L23-F27 HydrophobicContact CD2-CE2 4.01Å; L23-F27 HydrophobicContact CG-CD2 4.16Å; L23-F27 HydrophobicContact CG-CE2 3.92Å; L23-F27 VanDerWaalsContact O-CD2 3.28Å; L23-F27 WeakPolarHBondContact O-CD2 3.37Å; L23-F27 PolarHBondContact O-N 2.97Å; F27-T31 WeakPolarHBondContact O-CG2 3.4Å; F27-T31 PolarHBondContact O-N 3.21Å; F27-T31 PolarHBondContact O-OG1 3.08Å
28S56.3Low58.3Low58 Ų58104.6 Ų104.641%0.40655%0.545SS..Hα-helixtrans-75.7-30.5175-56.90000112.5L24 L25 L26 T31 S32L24-S28 WeakPolarHBondContact O-CB 3.27Å; L24-S28 PolarHBondContact O-N 3.48Å; L24-S28 PolarHBondContact O-OG 3.31Å; L25-S28 PolarHBondContact O-N 3.4Å; L25-S28 VanDerWaalsContact O-N 3.14Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.13Å; S28-T31 PolarHBondContact O-OG1 3.32Å; S28-S32 WeakPolarHBondContact O-CB 3.42Å; S28-S32 PolarHBondContact O-N 3.14Å; S28-S32 PolarHBondContact O-OG 3.34Å
29F54.7Low56.8Low128 Ų128105 Ų10556%0.56155%0.548SS*.Hα-helixtrans-75-45175.3-93.7-79.6000112.1L25 L26 T31 S32 F33L25-F29 WeakPolarHBondContact O-CD2 3.47Å; L25-F29 PolarHBondContact O-N 3.02Å; L26-F29 PolarHBondContact O-N 3.44Å; L26-F29 VanDerWaalsContact O-N 3.16Å; F29-T31 PolarHBondContact O-N 3.1Å; F29-S32 PolarHBondContact O-N 3.47Å; F29-F33 HydrophobicContact CD1-CE2 4.08Å; F29-F33 VanDerWaalsContact O-CD2 3.32Å; F29-F33 WeakPolarHBondContact O-CD2 3.43Å; F29-F33 PolarHBondContact O-N 3.04Å
30E56.5Low55.2Low132 Ų132103.9 Ų103.962%0.61755%0.551SS**Hα-helixtrans-62-43.9176.8-75.1-162150.100112.3L26 S32 F33 I34L26-E30 PolarHBondContact O-N 2.92Å; E30-S32 VanDerWaalsContact C-N 3.27Å; E30-S32 PolarHBondContact O-N 3.01Å; E30-F33 PolarHBondContact O-N 3Å; E30-I34 VanDerWaalsContact O-CG1 3.3Å; E30-I34 WeakPolarHBondContact O-CG1 3.12Å; E30-I34 PolarHBondContact O-N 3.28Å
31T54.2Low53.7Low80 Ų80110 Ų11049%0.49157%0.574SS.*Hα-helixtrans-64.9-31.6176.9520000112.5F27 S28 F29 S35F27-T31 WeakPolarHBondContact O-CG2 3.4Å; F27-T31 PolarHBondContact O-N 3.21Å; F27-T31 PolarHBondContact O-OG1 3.08Å; S28-T31 PolarHBondContact O-OG1 3.32Å; F29-T31 PolarHBondContact O-N 3.1Å; T31-S35 WeakPolarHBondContact O-CB 3.48Å; T31-S35 PolarHBondContact O-N 2.89Å; T31-S35 PolarHBondContact O-OG 3.35Å
32S52.2Low52Low61 Ų61109.2 Ų109.243%0.42758%0.578SS.*Hα-helixtrans-69.9-41.5173.5-61.90000112.7S28 F29 E30 S35 I36S28-S32 WeakPolarHBondContact O-CB 3.42Å; S28-S32 PolarHBondContact O-N 3.14Å; S28-S32 PolarHBondContact O-OG 3.34Å; F29-S32 PolarHBondContact O-N 3.47Å; E30-S32 VanDerWaalsContact C-N 3.27Å; E30-S32 PolarHBondContact O-N 3.01Å; S32-S35 WeakPolarHBondContact O-CB 3.24Å; S32-S35 PolarHBondContact O-N 3.09Å; S32-I36 WeakPolarHBondContact O-CG1 3.39Å; S32-I36 PolarHBondContact O-N 3.14Å; S32-I36 VanDerWaalsContact O-N 3.09Å
33F49.1Very low50.2Low136 Ų136112 Ų11260%0.59659%0.591SS**Hα-helixtrans-67.1-38.1176.2-84.9-70.5000112.7F29 E30 S35 I36 W37F29-F33 HydrophobicContact CD1-CE2 4.08Å; F29-F33 VanDerWaalsContact O-CD2 3.32Å; F29-F33 WeakPolarHBondContact O-CD2 3.43Å; F29-F33 PolarHBondContact O-N 3.04Å; E30-F33 PolarHBondContact O-N 3Å; F33-S35 VanDerWaalsContact C-N 3.31Å; F33-S35 PolarHBondContact O-N 2.89Å; F33-I36 PolarHBondContact O-N 3.46Å; F33-W37 PolarHBondContact O-N 2.84Å; F33-W37 VanDerWaalsContact O-N 3.12Å
34I50.9Low48.6Very low99 Ų99115.4 Ų115.451%0.50861%0.611SS.*Hα-helixtrans-63-39.3172.8-66.7164.4000110.5E30 I36 W37 I38E30-I34 VanDerWaalsContact O-CG1 3.3Å; E30-I34 WeakPolarHBondContact O-CG1 3.12Å; E30-I34 PolarHBondContact O-N 3.28Å; I34-I36 VanDerWaalsContact C-N 3.33Å; I34-I36 PolarHBondContact O-N 2.86Å; I34-W37 PolarHBondContact O-N 3.43Å; I34-I38 HydrophobicContact CG2-CD1 3.72Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.24Å
35S43.7Very low47.1Very low65 Ų65115.1 Ų115.146%0.45562%0.618SS.*Hα-helixtrans-65.6-32.3177-58.50000113.6T31 S32 F33 N39T31-S35 WeakPolarHBondContact O-CB 3.48Å; T31-S35 PolarHBondContact O-N 2.89Å; T31-S35 PolarHBondContact O-OG 3.35Å; S32-S35 WeakPolarHBondContact O-CB 3.24Å; S32-S35 PolarHBondContact O-N 3.09Å; F33-S35 VanDerWaalsContact C-N 3.31Å; F33-S35 PolarHBondContact O-N 2.89Å; S35-N39 PolarHBondContact O-ND2 3.48Å
36I49.8Very low45.6Very low113 Ų113118.5 Ų118.558%0.57964%0.635SS**Hα-helixtrans-77.7-36.1179.1-69.5164.8000111.3S32 F33 I34 G40S32-I36 WeakPolarHBondContact O-CG1 3.39Å; S32-I36 PolarHBondContact O-N 3.14Å; S32-I36 VanDerWaalsContact O-N 3.09Å; F33-I36 PolarHBondContact O-N 3.46Å; I34-I36 VanDerWaalsContact C-N 3.33Å; I34-I36 PolarHBondContact O-N 2.86Å; I36-G40 PolarHBondContact O-N 3.26Å
37W44.6Very low44.4Very low218 Ų218118.6 Ų118.683%0.82665%0.646SS**Hα-helixtrans-70.5-32176.2-113.379.4000113.4F33 I34F33-W37 PolarHBondContact O-N 2.84Å; F33-W37 VanDerWaalsContact O-N 3.12Å; I34-W37 PolarHBondContact O-N 3.43Å
38I47Very low43.3Very low128 Ų128120.3 Ų120.366%0.65666%0.66SS**Hα-helixtrans-78-23-179-66.6170000112.6I34I34-I38 HydrophobicContact CG2-CD1 3.72Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.24Å
39N40Very low42Very low118 Ų118123.2 Ų123.263%0.63168%0.681SS**SBendtrans-105.75.1179.4-67.3-72.3000114.3S35 Q41S35-N39 PolarHBondContact O-ND2 3.48Å; N39-Q41 PolarHBondContact O-N 3.01Å
40G35.7Very low40.9Very low57 Ų57121.3 Ų121.359%0.58869%0.689SS**THydrogen-bonded Turntrans-81.7-0.7-172.400000117I36I36-G40 PolarHBondContact O-N 3.26Å
41Q37.6Very low39.5Very low185 Ų185120.5 Ų120.586%0.86470%0.698SS**THydrogen-bonded Turntrans-102.98.9-171.5-68.3-162.41.400115.7N39N39-Q41 PolarHBondContact O-N 3.01Å
42S32.7Very low38.3Very low99 Ų99122.6 Ų122.669%0.69271%0.706SS**SBendtrans-136.242.2-170.4690000115.9
43V33.5Very low37.1Very low124 Ų124126.2 Ų126.275%0.75273%0.726SS**  trans-154.5108.9165-94.90000110.9
44N33.6Very low36.1Very low174 Ų174129.2 Ų129.293%0.9373%0.733SS**  trans-179.661.8146-92-20.6000110.3
45S30.8Very low35Very low107 Ų107132.8 Ų132.875%0.74875%0.748SS**  trans-119.7115.5161.151.70000108.4
46L34.4Very low34.2Very low169 Ų169135.9 Ų135.989%0.88577%0.766SS**  trans156.8103.2144-103.977.7000110.5
47S38.8Very low33.4Very low113 Ų113141.1 Ų141.179%0.7978%0.779SS**  trans-171.2102.3140.539.90000112
48N32.7Very low33.2Very low162 Ų162135.5 Ų135.587%0.86677%0.772SS**  trans32.1114.5148.8-54.2-17.5000118.2
49S30.5Very low33.4Very low119 Ų119133 Ų13383%0.83277%0.765SS**  -176.9153.579.340.30000113.9
50A30.8Very low34.2Very low88 Ų88131.1 Ų131.173%0.72776%0.757SS**  trans46.683.4157.200000120.4
51S26.9Very low35.8Very low116 Ų116134 Ų13481%0.81175%0.75SS**  33.994.9127.960.30000120.5
52D28.6Very low37.9Very low123 Ų123126 Ų12666%0.65871%0.713SS**  -147.3126.6122-167.36.8000109.6R54D52-R54 VanDerWaalsContact C-N 3.34Å; D52-R54 PolarHBondContact O-N 2.77Å; D52-R54 IonicContact OD2-NE 3.45Å; D52-R54 PolarHBondContact OD2-NE 3.41Å
53T26.6Very low40.3Very low138 Ų138121.3 Ų121.385%0.84768%0.681SS**  trans-94.662.4-172-36.10000110.4
54R30Very low42.9Very low198 Ų198117.7 Ų117.775%0.74765%0.654SS**  trans-100.5100.8172.5-67.8-173.8-175.1-150.7-4.8110.3D52D52-R54 VanDerWaalsContact C-N 3.34Å; D52-R54 PolarHBondContact O-N 2.77Å; D52-R54 IonicContact OD2-NE 3.45Å; D52-R54 PolarHBondContact OD2-NE 3.41Å
55Q27.2Very low45.4Very low175 Ų175110.4 Ų110.482%0.81862%0.615SS**  trans-50.3142.3160.9-71177-47.800109.1R57Q55-R57 PolarHBondContact O-N 3.31Å
56P27.4Very low48.1Very low129 Ų129106 Ų10684%0.83858%0.583SS**  trans-60.8108.6168.426.4-32.2000107.6S58P56-S58 PolarHBondContact O-N 2.94Å
57R31.5Very low50.7Low224 Ų224102.8 Ų102.885%0.84556%0.559SS**PPolyproline II helixtrans-55.7131.4172.8-93.2-173.9166.9112.8-1.9107.6Q55Q55-R57 PolarHBondContact O-N 3.31Å
58S40Very low53.2Low99 Ų99100.6 Ų100.669%0.69254%0.541SS*.PPolyproline II helixtrans-48.8131.8166.748.60000108.9P56 T60P56-S58 PolarHBondContact O-N 2.94Å; S58-T60 PolarHBondContact O-N 3.33Å; S58-T60 VanDerWaalsContact O-N 3.12Å
59P52.1Low56Low77 Ų7795.2 Ų95.250%0.552%0.523SS..PPolyproline II helixtrans-58.9121.7-176.223.7-33.4000109.3R61P59-R61 PolarHBondContact O-N 2.71Å
60T57.9Low58.8Low77 Ų7793.9 Ų93.947%0.47250%0.504SS..  trans-58.8105.5180-48.50000108.9S58 L62 V127S58-T60 PolarHBondContact O-N 3.33Å; S58-T60 VanDerWaalsContact O-N 3.12Å; T60-L62 HydrophobicContact CG2-CD2 4.11Å; T60-L62 HydrophobicContact CG2-CG 4.33Å; T60-L62 PolarHBondContact O-N 3.31Å; T60-V127 WeakPolarHBondContact O-CG1 3Å
61R67.8Low61.7Low117 Ų11793.4 Ų93.444%0.44250%0.495SS..  trans-80.3104.8-178.1-71.7-168.9175.4-170.60.4109.5P59 L195P59-R61 PolarHBondContact O-N 2.71Å; R61-L195 HydrophobicContact CB-CB 4.37Å; R61-L195 HydrophobicContact CB-CD1 4.21Å; R61-L195 PolarHBondContact O-N 3.01Å
62L81.1Confident64.7Low17 Ų1789 Ų899%0.08946%0.463CS..EExtended strand (participates in β ladder)trans-95.9143.5177.4-62.1173000110.7T60 Y64 E128 M129 S130 D192 G193T60-L62 HydrophobicContact CG2-CD2 4.11Å; T60-L62 HydrophobicContact CG2-CG 4.33Å; T60-L62 PolarHBondContact O-N 3.31Å; L62-Y64 HydrophobicContact CB-CE2 3.99Å; L62-E128 PolarHBondContact N-O 2.91Å; L62-M129 HydrophobicContact CB-CB 4.44Å; L62-M129 HydrophobicContact CB-CG 4.15Å; L62-M129 HydrophobicContact CD1-CE 4.12Å; L62-M129 HydrophobicContact CD1-CG 4.34Å; L62-M129 HydrophobicContact CD1-SD 4.15Å; L62-M129 CarbonylContact O-C 3.57Å; L62-M129 WeakPolarHBondContact O-CA 3.25Å; L62-S130 PolarHBondContact O-N 3.11Å; L62-D192 WeakPolarHBondContact CD2-O 3.34Å; L62-G193 CarbonylContact C-O 3.56Å; L62-G193 VanDerWaalsContact CA-O 3.3Å; L62-G193 WeakPolarHBondContact CA-O 3.39Å
63G84.4Confident67.7Low1 Ų187 Ų871%0.0145%0.452CS..EExtended strand (participates in β ladder)trans-136.3131.2-17800000112S130 G193G63-S130 CarbonylContact C-O 3.53Å; G63-S130 VanDerWaalsContact CA-O 3.29Å; G63-S130 WeakPolarHBondContact CA-O 3.04Å; G63-G193 PolarHBondContact N-O 3.3Å; G63-G193 WeakPolarHBondContact O-CA 3.33Å
64Y87Confident70.7Confident49 Ų4980.5 Ų80.519%0.19241%0.412CS..EExtended strand (participates in β ladder)trans-127.8128.4-178.8-57.8-84.5000110.3L62 L72 L74 M129 S130 V131 R132L62-Y64 HydrophobicContact CB-CE2 3.99Å; Y64-L72 HydrophobicContact CD1-CD1 4.01Å; Y64-L72 HydrophobicContact CD1-CD2 4.34Å; Y64-L72 HydrophobicContact CD2-CD2 4.36Å; Y64-L72 HydrophobicContact CG-CD1 4.36Å; Y64-L72 HydrophobicContact CG-CD2 3.85Å; Y64-L74 HydrophobicContact CD2-CD2 3.57Å; Y64-L74 HydrophobicContact CE2-CD2 3.49Å; Y64-L74 VanDerWaalsContact CE2-CD2 3.49Å; Y64-L74 HydrophobicContact CG-CD2 4.23Å; Y64-M129 HydrophobicContact CE2-CB 4.31Å; Y64-M129 HydrophobicContact CE2-SD 4.3Å; Y64-S130 PolarHBondContact N-O 3.31Å; Y64-V131 HydrophobicContact CD2-CG2 4.26Å; Y64-R132 PolarHBondContact O-N 2.93Å
65L86.7Confident73.6Confident20 Ų2075.9 Ų75.911%0.10540%0.397CS..EExtended strand (participates in β ladder)trans-111.6117.5172.6-174.868.2000109.3R132 I134 C160 V187 T189L65-R132 WeakPolarHBondContact CA-O 3.4Å; L65-R132 HydrophobicContact CD1-CB 3.81Å; L65-R132 HydrophobicContact CD1-CG 3.59Å; L65-I134 HydrophobicContact CD1-CD1 3.77Å; L65-I134 HydrophobicContact CD1-CG1 3.83Å; L65-I134 HydrophobicContact CD1-CG2 4.07Å; L65-I134 HydrophobicContact CD2-CD1 3.93Å; L65-I134 HydrophobicContact CG-CD1 3.96Å; L65-I134 HydrophobicContact CG-CG1 4.26Å; L65-C160 HydrophobicContact CD1-CB 3.92Å; L65-C160 HydrophobicContact CD2-CB 4.34Å; L65-C160 WeakPolarHBondContact CD2-SG 3.24Å; L65-V187 HydrophobicContact CB-CG2 4.3Å; L65-V187 HydrophobicContact CD1-CG2 4.24Å; L65-T189 HydrophobicContact CB-CG2 3.94Å; L65-T189 HydrophobicContact CD2-CG2 4.07Å; L65-T189 HydrophobicContact CG-CG2 4.42Å
66I88.2Confident76.6Confident14 Ų1467.5 Ų67.57%0.07236%0.358CS..EExtended strand (participates in β ladder)trans-129.5158.9-176.864.7177.1000111.9L72 A106 V131 R132 V133 I134I66-L72 HydrophobicContact CD1-CB 3.79Å; I66-L72 HydrophobicContact CD1-CD2 4.08Å; I66-L72 HydrophobicContact CG2-CB 4.24Å; I66-L72 HydrophobicContact CG2-CD1 4.25Å; I66-L72 HydrophobicContact CG2-CD2 4.05Å; I66-L72 HydrophobicContact CG2-CG 4.41Å; I66-A106 HydrophobicContact CD1-CB 3.54Å; I66-A106 HydrophobicContact CG1-CB 4.32Å; I66-V131 HydrophobicContact CD1-CG1 4.06Å; I66-V131 HydrophobicContact CG1-CG1 4.35Å; I66-R132 PolarHBondContact N-O 2.92Å; I66-V133 HydrophobicContact CD1-CG2 4.01Å; I66-V133 HydrophobicContact CG1-CB 4.37Å; I66-V133 HydrophobicContact CG1-CG1 4.36Å; I66-V133 HydrophobicContact CG1-CG2 3.86Å; I66-V133 WeakPolarHBondContact O-CA 3.49Å; I66-I134 PolarHBondContact O-N 3.29Å
67R88.9Confident79.4Confident102 Ų10264.6 Ų64.639%0.38534%0.339SS..EExtended strand (participates in β ladder)trans-85.6151.1176.4-62.7177-174.1-102.1-7.2111G69 Q70 I134 F136R67-G69 PolarHBondContact O-N 3.32Å; R67-Q70 HydrophobicContact CB-CG 3.94Å; R67-Q70 WeakPolarHBondContact O-CB 3.33Å; R67-Q70 PolarHBondContact O-N 2.85Å; R67-I134 WeakPolarHBondContact CA-O 3.26Å; R67-F136 HydrophobicContact CG-CD2 3.71Å; R67-F136 HydrophobicContact CG-CE2 3.48Å; R67-F136 VanDerWaalsContact CG-CE2 3.48Å; R67-F136 VanDerWaalsContact NH2-CZ 3.28Å
68V91.6Very high81.9Confident68 Ų6856.6 Ų56.641%0.41231%0.313SS..THydrogen-bonded Turntrans-51.8133.1165.1176.70000109.8Q70 A106 L108 V133 I134 D135V68-Q70 VanDerWaalsContact C-N 3.31Å; V68-Q70 PolarHBondContact O-N 3.28Å; V68-A106 CarbonylContact C-O 3.54Å; V68-A106 VanDerWaalsContact CA-O 3.32Å; V68-A106 WeakPolarHBondContact CA-O 3.28Å; V68-L108 HydrophobicContact CG2-CD2 3.61Å; V68-L108 HydrophobicContact CG2-CG 4.01Å; V68-V133 HydrophobicContact CB-CG1 4.48Å; V68-V133 HydrophobicContact CG2-CG1 3.86Å; V68-I134 PolarHBondContact N-O 2.97Å; V68-I134 VanDerWaalsContact N-O 3.14Å; V68-D135 HydrophobicContact CG2-CB 4.05Å
69G91.3Very high84.1Confident48 Ų4858.6 Ų58.650%0.49532%0.316SS..THydrogen-bonded Turntrans82.6-11.3-176.700000115.7R67 A106R67-G69 PolarHBondContact O-N 3.32Å; G69-A106 PolarHBondContact N-O 2.92Å
70Q89.9Confident85.7Confident91 Ų9155.6 Ų55.643%0.42530%0.298SS..  trans-73.2158170.9-74.1-178-34.500111.2R67 V68 A106R67-Q70 HydrophobicContact CB-CG 3.94Å; R67-Q70 WeakPolarHBondContact O-CB 3.33Å; R67-Q70 PolarHBondContact O-N 2.85Å; V68-Q70 VanDerWaalsContact C-N 3.31Å; V68-Q70 PolarHBondContact O-N 3.28Å; Q70-A106 WeakPolarHBondContact O-CB 3.44Å; Q70-A106 PolarHBondContact O-N 2.66Å
71S91.4Very high87.1Confident78 Ų7857.2 Ų57.255%0.54531%0.308SS..  trans-110.4139.9171.5-57.40000109.8I103 S105S71-I103 CarbonylContact C-O 3.6Å; S71-I103 WeakPolarHBondContact CA-O 3.48Å; S71-I103 WeakPolarHBondContact CB-O 3.48Å; S71-S105 PolarHBondContact OG-N 2.89Å
72L89.9Confident88.2Confident25 Ų2558.5 Ų58.513%0.13132%0.317CS..EExtended strand (participates in β ladder)trans-126.3133.6-179177.864.4000109.1Y64 I66 L74 T102 I103 V131Y64-L72 HydrophobicContact CD1-CD1 4.01Å; Y64-L72 HydrophobicContact CD1-CD2 4.34Å; Y64-L72 HydrophobicContact CD2-CD2 4.36Å; Y64-L72 HydrophobicContact CG-CD1 4.36Å; Y64-L72 HydrophobicContact CG-CD2 3.85Å; I66-L72 HydrophobicContact CD1-CB 3.79Å; I66-L72 HydrophobicContact CD1-CD2 4.08Å; I66-L72 HydrophobicContact CG2-CB 4.24Å; I66-L72 HydrophobicContact CG2-CD1 4.25Å; I66-L72 HydrophobicContact CG2-CD2 4.05Å; I66-L72 HydrophobicContact CG2-CG 4.41Å; L72-L74 HydrophobicContact CD2-CD2 3.66Å; L72-L74 HydrophobicContact CG-CD2 3.96Å; L72-T102 CarbonylContact O-C 3.58Å; L72-T102 WeakPolarHBondContact O-CA 3.11Å; L72-I103 PolarHBondContact N-O 3.02Å; L72-I103 PolarHBondContact O-N 2.88Å; L72-V131 HydrophobicContact CD2-CG1 3.86Å; L72-V131 HydrophobicContact CD2-CG2 3.94Å
73N91.4Very high88.8Confident81 Ų8158.9 Ų58.943%0.43332%0.317SS..EExtended strand (participates in β ladder)trans-108.5107.5173.9-165.122.7000109.7F100 T102N73-F100 WeakPolarHBondContact ND2-CD1 3.49Å; N73-T102 PolarHBondContact OD1-OG1 2.96Å
74L90.2Very high89.2Confident0 Ų062.5 Ų62.50%033%0.334CS..EExtended strand (participates in β ladder)trans-78.7132.3172.8-56.8-175.6000108.7Y64 L72 W85 F100 Y101 Y114 M129 V131Y64-L74 HydrophobicContact CD2-CD2 3.57Å; Y64-L74 HydrophobicContact CE2-CD2 3.49Å; Y64-L74 VanDerWaalsContact CE2-CD2 3.49Å; Y64-L74 HydrophobicContact CG-CD2 4.23Å; L72-L74 HydrophobicContact CD2-CD2 3.66Å; L72-L74 HydrophobicContact CG-CD2 3.96Å; L74-W85 HydrophobicContact CB-CH2 3.56Å; L74-W85 HydrophobicContact CB-CZ2 4.23Å; L74-W85 HydrophobicContact CB-CZ3 3.95Å; L74-W85 HydrophobicContact CD1-CH2 4.43Å; L74-W85 HydrophobicContact CD1-CZ3 3.96Å; L74-F100 CarbonylContact O-C 3.6Å; L74-F100 VanDerWaalsContact O-CA 3.29Å; L74-F100 WeakPolarHBondContact O-CA 3.3Å; L74-Y101 HydrophobicContact CD1-CD1 4.15Å; L74-Y101 PolarHBondContact N-O 2.85Å; L74-Y101 PolarHBondContact O-N 3Å; L74-Y114 HydrophobicContact CD1-CD1 4.44Å; L74-Y114 HydrophobicContact CD1-CD2 4.27Å; L74-Y114 HydrophobicContact CD1-CG 4Å; L74-M129 HydrophobicContact CB-SD 4.24Å; L74-V131 HydrophobicContact CD1-CG2 3.99Å; L74-V131 HydrophobicContact CD2-CG2 3.94Å; L74-V131 HydrophobicContact CG-CG2 4.5Å
75K90.2Very high89.5Confident101 Ų10160.1 Ų60.144%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-115.7127.9173.9-176.4-171175.1-172.80109.2Q99 F100 M129K75-Q99 HydrophobicContact CG-CG 4.31Å; K75-F100 HydrophobicContact CB-CD1 3.84Å; K75-F100 HydrophobicContact CB-CE1 3.7Å; K75-F100 HydrophobicContact CD-CE1 3.68Å; K75-F100 HydrophobicContact CD-CZ 3.88Å; K75-F100 HydrophobicContact CG-CD1 3.91Å; K75-F100 HydrophobicContact CG-CE1 3.45Å; K75-F100 VanDerWaalsContact CG-CE1 3.45Å; K75-F100 HydrophobicContact CG-CZ 3.91Å; K75-M129 WeakPolarHBondContact O-CE 3.34Å
76C90.2Very high89.8Confident0 Ų059.2 Ų59.20%032%0.319CS..  trans-65.1124.6169.3-154.90000109.8Y83 W85 Q99 C116C76-Y83 HydrophobicContact CB-CD1 3.85Å; C76-Y83 HydrophobicContact CB-CE1 3.97Å; C76-W85 HydrophobicContact CB-CZ2 4.04Å; C76-Q99 HydrophobicContact CB-CG 4.24Å; C76-Q99 PolarHBondContact N-O 2.89Å; C76-C116 HydrophobicContact CB-CB 3.9Å; C76-C116 WeakPolarHBondContact CB-SG 3.33Å; C76-C116 WeakPolarHBondContact SG-CB 3.31Å; C76-C116 CovalentContact SG-SG 2.03Å; C76-C116 PolarHBondContact SG-SG 2.84Å
77P86.2Confident90Very high68 Ų6859.4 Ų59.444%0.44232%0.321SS..SBendtrans-76.7-24.5-172.931.2-36.8000112.9V127P77-V127 HydrophobicContact CG-CB 4.32Å; P77-V127 HydrophobicContact CG-CG1 4Å; P77-V127 HydrophobicContact CG-CG2 3.82Å
78D84.7Confident89.9Confident55 Ų5556.9 Ų56.929%0.29432%0.317SS..SBendtrans-75.6145.5174.6-66.8-25.9000110.6Y83 A118 S125D78-Y83 WeakPolarHBondContact O-CE1 3.29Å; D78-Y83 PolarHBondContact O-OH 3.27Å; D78-A118 HydrophobicContact CB-CB 4.05Å; D78-S125 WeakPolarHBondContact OD2-CB 3.34Å; D78-S125 PolarHBondContact OD2-OG 3.43Å
79D84.8Confident89.5Confident141 Ų14159.5 Ų59.575%0.75433%0.328SS*.  trans-98.4119.7172-162.716.6000109.4Y83D79-Y83 PolarHBondContact OD1-OH 2.97Å
80A86.6Confident89.4Confident15 Ų1561.6 Ų61.612%0.12433%0.325CS..  trans-148.1163.3-168.700000111.7Y83 A118A80-Y83 HydrophobicContact CB-CE1 3.94Å; A80-Y83 PolarHBondContact N-OH 3.12Å; A80-Y83 WeakPolarHBondContact O-CE2 3.28Å; A80-Y83 VanDerWaalsContact O-CZ 3.31Å; A80-Y83 PolarHBondContact O-OH 3.29Å; A80-Y83 VanDerWaalsContact O-OH 3.11Å; A80-A118 HydrophobicContact CB-CB 3.74Å
81V87.1Confident89.2Confident111 Ų11161 Ų6167%0.67333%0.329SS*.SBendtrans-82.7-36-179.3-1760000111.1V119V81-V119 PolarHBondContact N-O 3.16Å; V81-V119 VanDerWaalsContact N-O 3.17Å
82F91Very high88.9Confident143 Ų14362.8 Ų62.863%0.62734%0.341SS*.EExtended strand (participates in β ladder)trans-125137.9177.2-59.6-82.9000110.4V119F82-V119 HydrophobicContact CB-CB 4.27Å; F82-V119 PolarHBondContact N-O 3.36Å; F82-V119 PolarHBondContact O-N 3.47Å
83Y92.8Very high88.9Confident26 Ų2666.3 Ų66.310%0.10236%0.357CS..EExtended strand (participates in β ladder)trans-119.9150.3173.8-56.8-88.5000108.9C76 D78 D79 A80 E97 E98 Q99 H117 A118C76-Y83 HydrophobicContact CB-CD1 3.85Å; C76-Y83 HydrophobicContact CB-CE1 3.97Å; D78-Y83 WeakPolarHBondContact O-CE1 3.29Å; D78-Y83 PolarHBondContact O-OH 3.27Å; D79-Y83 PolarHBondContact OD1-OH 2.97Å; A80-Y83 HydrophobicContact CB-CE1 3.94Å; A80-Y83 PolarHBondContact N-OH 3.12Å; A80-Y83 WeakPolarHBondContact O-CE2 3.28Å; A80-Y83 VanDerWaalsContact O-CZ 3.31Å; A80-Y83 PolarHBondContact O-OH 3.29Å; A80-Y83 VanDerWaalsContact O-OH 3.11Å; Y83-E97 CarbonylContact O-C 3.55Å; Y83-E97 VanDerWaalsContact O-CA 3.25Å; Y83-E97 WeakPolarHBondContact O-CA 3.44Å; Y83-E98 WeakPolarHBondContact CB-O 3.5Å; Y83-Q99 HydrophobicContact CD1-CB 4.28Å; Y83-Q99 HydrophobicContact CD1-CG 4.32Å; Y83-Q99 HydrophobicContact CD2-CB 3.93Å; Y83-Q99 HydrophobicContact CE1-CB 4.03Å; Y83-Q99 HydrophobicContact CE1-CG 3.74Å; Y83-Q99 HydrophobicContact CE2-CB 3.67Å; Y83-Q99 HydrophobicContact CE2-CG 4.17Å; Y83-Q99 HydrophobicContact CG-CB 4.23Å; Y83-Q99 PolarHBondContact OH-NE2 3.17Å; Y83-Q99 VanDerWaalsContact OH-NE2 3.09Å; Y83-H117 CarbonylContact C-O 3.49Å; Y83-H117 WeakPolarHBondContact CA-O 3.31Å; Y83-A118 HydrophobicContact CD1-CB 4.28Å; Y83-A118 HydrophobicContact CE1-CB 4.41Å
84Q92.4Very high88.8Confident76 Ų7666.2 Ų66.236%0.35536%0.356SS..EExtended strand (participates in β ladder)trans-147.1116.5172.7-178.2-172-18.200108.8I94 H117Q84-I94 HydrophobicContact CG-CD1 4.18Å; Q84-I94 HydrophobicContact CG-CG1 4.09Å; Q84-I94 HydrophobicContact CG-CG2 4.1Å; Q84-H117 HydrophobicContact CB-CB 4.34Å; Q84-H117 PolarHBondContact N-O 3.43Å; Q84-H117 PolarHBondContact O-N 2.97Å
85W93.7Very high88.8Confident0 Ų068.3 Ų68.30%037%0.367CS..EExtended strand (participates in β ladder)trans-92.6134.7175.1-68.588.3000111L74 C76 I94 L95 S96 E98 Y101 I115 C116 M129L74-W85 HydrophobicContact CB-CH2 3.56Å; L74-W85 HydrophobicContact CB-CZ2 4.23Å; L74-W85 HydrophobicContact CB-CZ3 3.95Å; L74-W85 HydrophobicContact CD1-CH2 4.43Å; L74-W85 HydrophobicContact CD1-CZ3 3.96Å; C76-W85 HydrophobicContact CB-CZ2 4.04Å; W85-I94 CarbonylContact O-C 3.51Å; W85-I94 WeakPolarHBondContact O-CA 3.28Å; W85-L95 HydrophobicContact CB-CB 4.02Å; W85-L95 PolarHBondContact O-N 2.59Å; W85-S96 PolarHBondContact N-O 2.85Å; W85-E98 VanDerWaalsContact CD1-O 3.27Å; W85-E98 PolarHBondContact NE1-O 2.72Å; W85-Y101 HydrophobicContact CD2-CG 4.49Å; W85-Y101 HydrophobicContact CG-CG 4.46Å; W85-I115 WeakPolarHBondContact CA-O 3.2Å; W85-C116 HydrophobicContact CD2-CB 4.04Å; W85-C116 HydrophobicContact CE3-CB 3.91Å; W85-C116 HydrophobicContact CH2-CB 3.83Å; W85-C116 HydrophobicContact CZ2-CB 3.94Å; W85-C116 HydrophobicContact CZ3-CB 3.8Å; W85-M129 HydrophobicContact CH2-CE 3.62Å; W85-M129 HydrophobicContact CH2-SD 3.68Å; W85-M129 HydrophobicContact CZ3-CE 4.09Å; W85-M129 HydrophobicContact CZ3-SD 3.88Å
86S93.7Very high88.9Confident0 Ų064.5 Ų64.50%035%0.353CS..EExtended strand (participates in β ladder)trans-142169.8174.967.10000110.9Y114 I115S86-Y114 CarbonylContact O-C 3.13Å; S86-Y114 WeakPolarHBondContact O-CA 3.27Å; S86-I115 PolarHBondContact N-O 2.82Å; S86-I115 PolarHBondContact O-N 3.39Å
87L91.6Very high89Confident19 Ų1971.2 Ų71.210%0.09938%0.384CS..EExtended strand (participates in β ladder)trans-92.4142.6167.1-64.6175.5000109.4N89 Q90 L95 N112 Y114L87-N89 PolarHBondContact O-N 3.16Å; L87-N89 VanDerWaalsContact O-N 3.17Å; L87-Q90 HydrophobicContact CB-CB 4.23Å; L87-Q90 CarbonylContact O-C 3.51Å; L87-Q90 PolarHBondContact O-N 2.89Å; L87-L95 HydrophobicContact CD2-CD1 4.06Å; L87-L95 HydrophobicContact CG-CD1 4.09Å; L87-N112 HydrophobicContact CD2-CB 3.99Å; L87-Y114 HydrophobicContact CD2-CD1 3.64Å; L87-Y114 HydrophobicContact CD2-CD2 4.44Å; L87-Y114 HydrophobicContact CD2-CE1 3.48Å; L87-Y114 VanDerWaalsContact CD2-CE1 3.48Å; L87-Y114 HydrophobicContact CD2-CE2 4.3Å; L87-Y114 HydrophobicContact CD2-CG 4.13Å
88V87.2Confident89.3Confident49 Ų4974.5 Ų74.530%0.29739%0.394SS..THydrogen-bonded Turntrans-52.1-40.9173.6173.30000111.3Q90 R113 I115 E128V88-Q90 VanDerWaalsContact C-N 3.34Å; V88-R113 HydrophobicContact CB-CB 3.95Å; V88-R113 HydrophobicContact CG2-CB 3.38Å; V88-R113 HydrophobicContact CG2-CG 4.5Å; V88-R113 PolarHBondContact N-O 2.87Å; V88-I115 HydrophobicContact CB-CD1 4.44Å; V88-I115 HydrophobicContact CG2-CD1 3.81Å; V88-I115 HydrophobicContact CG2-CG1 3.56Å; V88-E128 HydrophobicContact CG2-CG 4.09Å
89N84.3Confident89.6Confident122 Ų12273.9 Ų73.965%0.65239%0.389SS*.THydrogen-bonded Turntrans-80.5-12.4-178.1-64.4-14.2000113.7L87L87-N89 PolarHBondContact O-N 3.16Å; L87-N89 VanDerWaalsContact O-N 3.17Å
90Q88Confident89.9Confident92 Ų9270.9 Ų70.943%0.4337%0.369SS..BIsolated β-bridgetrans-142.864.3-177-64.2177.8-21.500110.2L87 V88 S92 Q93L87-Q90 HydrophobicContact CB-CB 4.23Å; L87-Q90 CarbonylContact O-C 3.51Å; L87-Q90 PolarHBondContact O-N 2.89Å; V88-Q90 VanDerWaalsContact C-N 3.34Å; Q90-S92 PolarHBondContact O-N 2.78Å; Q90-S92 VanDerWaalsContact O-N 3.14Å; Q90-Q93 HydrophobicContact CB-CB 4.31Å; Q90-Q93 PolarHBondContact O-N 3.15Å
91P85.1Confident90.2Very high79 Ų7972.3 Ų72.351%0.51337%0.372SS..THydrogen-bonded Turntrans-66.7-17.9-173.127.6-36.3000113.6
92S87Confident90.5Very high115 Ų11570 Ų7080%0.80436%0.358SS*.THydrogen-bonded Turntrans-78.4-15.5174.2520000114Q90Q90-S92 PolarHBondContact O-N 2.78Å; Q90-S92 VanDerWaalsContact O-N 3.14Å
93Q89.6Confident90.6Very high100 Ų10063.4 Ų63.447%0.46733%0.329SS..SBendtrans-93.9111.4178-176.9170.8-14.100110.1Q90 L95Q90-Q93 HydrophobicContact CB-CB 4.31Å; Q90-Q93 PolarHBondContact O-N 3.15Å; Q93-L95 HydrophobicContact CG-CD2 4.49Å
94I89.2Confident90.6Very high78 Ų7870 Ų7040%0.436%0.359SS..  trans-79.4129173.5-54.9-179.1000108.9Q84 W85 E97Q84-I94 HydrophobicContact CG-CD1 4.18Å; Q84-I94 HydrophobicContact CG-CG1 4.09Å; Q84-I94 HydrophobicContact CG-CG2 4.1Å; W85-I94 CarbonylContact O-C 3.51Å; W85-I94 WeakPolarHBondContact O-CA 3.28Å; I94-E97 HydrophobicContact CG2-CG 3.96Å
95L90.6Very high90.5Very high45 Ų4570.2 Ų70.224%0.23637%0.369CS..  trans-98.4-33.7179.8-59.4175.8000112.8W85 L87 Q93 Y101 Y114W85-L95 HydrophobicContact CB-CB 4.02Å; W85-L95 PolarHBondContact O-N 2.59Å; L87-L95 HydrophobicContact CD2-CD1 4.06Å; L87-L95 HydrophobicContact CG-CD1 4.09Å; Q93-L95 HydrophobicContact CG-CD2 4.49Å; L95-Y101 HydrophobicContact CB-CD2 4.12Å; L95-Y101 HydrophobicContact CB-CE2 3.69Å; L95-Y101 HydrophobicContact CD1-CE1 4.29Å; L95-Y101 HydrophobicContact CD1-CE2 4.48Å; L95-Y114 HydrophobicContact CD1-CD1 3.56Å; L95-Y114 HydrophobicContact CD1-CE1 3.68Å
96S91.7Very high90.4Very high21 Ų2170.2 Ų70.215%0.14737%0.369CS..BIsolated β-bridgetrans-165.7151.9179.1175.40000109.3W85 E98 F100W85-S96 PolarHBondContact N-O 2.85Å; S96-E98 PolarHBondContact OG-N 3.35Å; S96-E98 VanDerWaalsContact OG-N 3.09Å; S96-F100 PolarHBondContact OG-O 2.88Å
97E92.2Very high90.4Very high140 Ų14073.3 Ų73.365%0.65439%0.388SS*.SBendtrans-109.96.2172.3-62.7179.5176.700112.1Y83 I94Y83-E97 CarbonylContact O-C 3.55Å; Y83-E97 VanDerWaalsContact O-CA 3.25Å; Y83-E97 WeakPolarHBondContact O-CA 3.44Å; I94-E97 HydrophobicContact CG2-CG 3.96Å
98E91.9Very high90.3Very high137 Ų13777.3 Ų77.364%0.6441%0.409SS*.SBendtrans-90.1159.6177.8-59.9-177.8179.200111.8Y83 W85 S96 F100Y83-E98 WeakPolarHBondContact CB-O 3.5Å; W85-E98 VanDerWaalsContact CD1-O 3.27Å; W85-E98 PolarHBondContact NE1-O 2.72Å; S96-E98 PolarHBondContact OG-N 3.35Å; S96-E98 VanDerWaalsContact OG-N 3.09Å; E98-F100 PolarHBondContact O-N 3.13Å
99Q91.3Very high90.4Very high42 Ų4284 Ų8420%0.19643%0.434CS..SBendtrans-57.8-22.6172.3-172.5177.348.700112.7K75 C76 Y83K75-Q99 HydrophobicContact CG-CG 4.31Å; C76-Q99 HydrophobicContact CB-CG 4.24Å; C76-Q99 PolarHBondContact N-O 2.89Å; Y83-Q99 HydrophobicContact CD1-CB 4.28Å; Y83-Q99 HydrophobicContact CD1-CG 4.32Å; Y83-Q99 HydrophobicContact CD2-CB 3.93Å; Y83-Q99 HydrophobicContact CE1-CB 4.03Å; Y83-Q99 HydrophobicContact CE1-CG 3.74Å; Y83-Q99 HydrophobicContact CE2-CB 3.67Å; Y83-Q99 HydrophobicContact CE2-CG 4.17Å; Y83-Q99 HydrophobicContact CG-CB 4.23Å; Y83-Q99 PolarHBondContact OH-NE2 3.17Å; Y83-Q99 VanDerWaalsContact OH-NE2 3.09Å
100F91.2Very high90.7Very high78 Ų7880.1 Ų80.134%0.34241%0.413SS..EExtended strand (participates in β ladder)trans-112.8143.4-177.6-62.1-88.3000111.4N73 L74 K75 S96 E98N73-F100 WeakPolarHBondContact ND2-CD1 3.49Å; L74-F100 CarbonylContact O-C 3.6Å; L74-F100 VanDerWaalsContact O-CA 3.29Å; L74-F100 WeakPolarHBondContact O-CA 3.3Å; K75-F100 HydrophobicContact CB-CD1 3.84Å; K75-F100 HydrophobicContact CB-CE1 3.7Å; K75-F100 HydrophobicContact CD-CE1 3.68Å; K75-F100 HydrophobicContact CD-CZ 3.88Å; K75-F100 HydrophobicContact CG-CD1 3.91Å; K75-F100 HydrophobicContact CG-CE1 3.45Å; K75-F100 VanDerWaalsContact CG-CE1 3.45Å; K75-F100 HydrophobicContact CG-CZ 3.91Å; S96-F100 PolarHBondContact OG-O 2.88Å; E98-F100 PolarHBondContact O-N 3.13Å
101Y92.9Very high90.8Very high45 Ų4577 Ų7718%0.17640%0.401CS..EExtended strand (participates in β ladder)trans-130.6114.5168.8176.6-108.2000109.7L74 W85 L95 I103 Y114L74-Y101 HydrophobicContact CD1-CD1 4.15Å; L74-Y101 PolarHBondContact N-O 2.85Å; L74-Y101 PolarHBondContact O-N 3Å; W85-Y101 HydrophobicContact CD2-CG 4.49Å; W85-Y101 HydrophobicContact CG-CG 4.46Å; L95-Y101 HydrophobicContact CB-CD2 4.12Å; L95-Y101 HydrophobicContact CB-CE2 3.69Å; L95-Y101 HydrophobicContact CD1-CE1 4.29Å; L95-Y101 HydrophobicContact CD1-CE2 4.48Å; Y101-I103 HydrophobicContact CD1-CG1 4.17Å; Y101-I103 HydrophobicContact CE1-CD1 4.33Å; Y101-I103 HydrophobicContact CE1-CG1 3.6Å; Y101-Y114 HydrophobicContact CD1-CD1 4.16Å; Y101-Y114 HydrophobicContact CD1-CE1 4.22Å; Y101-Y114 AromaticContact CE1-CD1 3.83Å; Y101-Y114 HydrophobicContact CE1-CD1 3.83Å; Y101-Y114 AromaticContact CE1-CE1 3.45Å; Y101-Y114 HydrophobicContact CE1-CE1 3.45Å; Y101-Y114 VanDerWaalsContact CE1-CE1 3.45Å
102T93.2Very high91.1Very high62 Ų6274.9 Ų74.938%0.3839%0.386SS..EExtended strand (participates in β ladder)trans-100.5112.1-178.4-52.90000111.6L72 N73 K104L72-T102 CarbonylContact O-C 3.58Å; L72-T102 WeakPolarHBondContact O-CA 3.11Å; N73-T102 PolarHBondContact OD1-OG1 2.96Å; T102-K104 HydrophobicContact CG2-CG 3.86Å; T102-K104 PolarHBondContact O-N 2.88Å
103I92.9Very high91.3Very high5 Ų571.2 Ų71.23%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-75.5115.5164.3-58.2170.8000106.9S71 L72 Y101 A106 D110 Y114 V131S71-I103 CarbonylContact C-O 3.6Å; S71-I103 WeakPolarHBondContact CA-O 3.48Å; S71-I103 WeakPolarHBondContact CB-O 3.48Å; L72-I103 PolarHBondContact N-O 3.02Å; L72-I103 PolarHBondContact O-N 2.88Å; Y101-I103 HydrophobicContact CD1-CG1 4.17Å; Y101-I103 HydrophobicContact CE1-CD1 4.33Å; Y101-I103 HydrophobicContact CE1-CG1 3.6Å; I103-A106 HydrophobicContact CG2-CB 3.79Å; I103-D110 HydrophobicContact CG2-CB 4.07Å; I103-Y114 HydrophobicContact CD1-CE2 4.14Å; I103-V131 HydrophobicContact CD1-CB 4.47Å; I103-V131 HydrophobicContact CD1-CG1 4.03Å; I103-V131 HydrophobicContact CD1-CG2 4.22Å
104K92.2Very high91.4Very high164 Ų16466.7 Ų66.771%0.71333%0.333SS*.  trans-102.7129.9179.5-64.4178.8-176.61730109.9T102T102-K104 HydrophobicContact CG2-CG 3.86Å; T102-K104 PolarHBondContact O-N 2.88Å
105S91.1Very high91.5Very high82 Ų8264.4 Ų64.457%0.57332%0.321SS*.SBendtrans51.356.9179.9-58.20000113.2S71S71-S105 PolarHBondContact OG-N 2.89Å
106A92.3Very high91.6Very high0 Ų062.3 Ų62.30%031%0.31CS..  trans-49.2135.9-170.100000113.7I66 V68 G69 Q70 I103 V133I66-A106 HydrophobicContact CD1-CB 3.54Å; I66-A106 HydrophobicContact CG1-CB 4.32Å; V68-A106 CarbonylContact C-O 3.54Å; V68-A106 VanDerWaalsContact CA-O 3.32Å; V68-A106 WeakPolarHBondContact CA-O 3.28Å; G69-A106 PolarHBondContact N-O 2.92Å; Q70-A106 WeakPolarHBondContact O-CB 3.44Å; Q70-A106 PolarHBondContact O-N 2.66Å; I103-A106 HydrophobicContact CG2-CB 3.79Å; A106-V133 HydrophobicContact CB-CG1 3.94Å; A106-V133 HydrophobicContact CB-CG2 4Å
107T93Very high91.5Very high65 Ų6564 Ų6440%0.39932%0.316SS..  trans-110.7163.717773.60000110K109 D110 V133T107-K109 PolarHBondContact O-N 2.9Å; T107-K109 PolarHBondContact OG1-N 3.06Å; T107-D110 WeakPolarHBondContact CA-OD2 3.31Å; T107-D110 WeakPolarHBondContact CB-OD2 3.36Å; T107-D110 PolarHBondContact N-OD2 2.71Å; T107-D110 PolarHBondContact O-N 2.97Å; T107-D110 PolarHBondContact OG1-OD2 3.49Å; T107-V133 WeakPolarHBondContact O-CB 3.26Å; T107-V133 WeakPolarHBondContact O-CG1 3.32Å; T107-V133 VanDerWaalsContact O-CG2 3.31Å; T107-V133 WeakPolarHBondContact O-CG2 3.43Å
108L89.3Confident91.5Very high103 Ų10357.4 Ų57.454%0.53929%0.285SS..G310 helixtrans-56.5-25.6177.1-62.5176.1000113.1V68 D110 S111 V133 D135V68-L108 HydrophobicContact CG2-CD2 3.61Å; V68-L108 HydrophobicContact CG2-CG 4.01Å; L108-D110 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 2.78Å; L108-S111 VanDerWaalsContact O-CB 3.3Å; L108-S111 WeakPolarHBondContact O-CB 3.35Å; L108-S111 PolarHBondContact O-N 3.22Å; L108-S111 PolarHBondContact O-OG 3.02Å; L108-V133 WeakPolarHBondContact CD2-O 3.31Å; L108-D135 HydrophobicContact CD2-CB 4.39Å
109K88.9Confident91.3Very high189 Ų18953.3 Ų53.382%0.82227%0.269SS*.G310 helixtrans-72.1-20.3178-63.6-177.2178.9-179.60113.9T107 S111T107-K109 PolarHBondContact O-N 2.9Å; T107-K109 PolarHBondContact OG1-N 3.06Å; K109-S111 PolarHBondContact O-N 2.9Å
110D91.3Very high91.1Very high40 Ų4054.1 Ų54.121%0.21427%0.273CS..G310 helixtrans-81.25.1176.2-51.1-64.1000111.7I103 T107 L108 N112 Y114 V133I103-D110 HydrophobicContact CG2-CB 4.07Å; T107-D110 WeakPolarHBondContact CA-OD2 3.31Å; T107-D110 WeakPolarHBondContact CB-OD2 3.36Å; T107-D110 PolarHBondContact N-OD2 2.71Å; T107-D110 PolarHBondContact O-N 2.97Å; T107-D110 PolarHBondContact OG1-OD2 3.49Å; L108-D110 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 2.78Å; D110-N112 PolarHBondContact O-N 3.41Å; D110-Y114 PolarHBondContact O-OH 2.64Å; D110-V133 HydrophobicContact CB-CG2 4.04Å
111S90.8Very high90.7Very high27 Ų2754.2 Ų54.219%0.18930%0.296CS..  trans-74.596.5168.1-54.60000109.9L108 K109 V131 V133L108-S111 VanDerWaalsContact O-CB 3.3Å; L108-S111 WeakPolarHBondContact O-CB 3.35Å; L108-S111 PolarHBondContact O-N 3.22Å; L108-S111 PolarHBondContact O-OG 3.02Å; K109-S111 PolarHBondContact O-N 2.9Å; S111-V131 CarbonylContact C-O 3.54Å; S111-V131 VanDerWaalsContact CA-O 3.23Å; S111-V131 WeakPolarHBondContact CA-O 3.38Å; S111-V133 PolarHBondContact OG-N 3.41Å; S111-V133 PolarHBondContact OG-O 3.05Å
112N91Very high90.1Very high34 Ų3463.1 Ų63.118%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-158.3173.5-174.7-143-38.4000112.6L87 D110 Y114 V131L87-N112 HydrophobicContact CD2-CB 3.99Å; D110-N112 PolarHBondContact O-N 3.41Å; N112-Y114 HydrophobicContact CB-CE2 3.95Å; N112-V131 PolarHBondContact N-O 3Å; N112-V131 PolarHBondContact O-N 3.47Å
113R90.1Very high89.7Confident38 Ų3861.8 Ų61.814%0.14333%0.329CS..EExtended strand (participates in β ladder)trans-96.4117.3169.6-64.2164.5154.5-114.7-13.6109V88 E128 L162 D185V88-R113 HydrophobicContact CB-CB 3.95Å; V88-R113 HydrophobicContact CG2-CB 3.38Å; V88-R113 HydrophobicContact CG2-CG 4.5Å; V88-R113 PolarHBondContact N-O 2.87Å; R113-E128 HydrophobicContact CB-CG 4.44Å; R113-E128 WeakPolarHBondContact CD-OE1 3.48Å; R113-E128 IonicContact CZ-OE1 3.27Å; R113-E128 IonicContact NE-OE1 3.46Å; R113-E128 PolarHBondContact NE-OE1 3.41Å; R113-E128 VanDerWaalsContact NH1-CD 3.28Å; R113-E128 IonicContact NH1-OE1 3.17Å; R113-E128 PolarHBondContact NH1-OE1 3.1Å; R113-E128 IonicContact NH1-OE2 3.31Å; R113-E128 PolarHBondContact NH1-OE2 2.95Å; R113-E128 IonicContact NH2-OE1 2.95Å; R113-L162 HydrophobicContact CG-CD2 3.72Å; R113-D185 IonicContact CZ-OD2 3.44Å; R113-D185 VanDerWaalsContact CZ-OD2 3.27Å; R113-D185 IonicContact NE-OD2 2.85Å; R113-D185 PolarHBondContact NE-OD2 2.93Å; R113-D185 IonicContact NH2-OD1 3.02Å; R113-D185 PolarHBondContact NH2-OD1 2.81Å; R113-D185 IonicContact NH2-OD2 3.19Å; R113-D185 PolarHBondContact NH2-OD2 3Å
114Y91.8Very high89.3Confident6 Ų670.3 Ų70.32%0.02436%0.361CS..EExtended strand (participates in β ladder)trans-99.6136.4177.6-65-99000109L74 S86 L87 L95 Y101 I103 D110 N112 E128 M129 V131L74-Y114 HydrophobicContact CD1-CD1 4.44Å; L74-Y114 HydrophobicContact CD1-CD2 4.27Å; L74-Y114 HydrophobicContact CD1-CG 4Å; S86-Y114 CarbonylContact O-C 3.13Å; S86-Y114 WeakPolarHBondContact O-CA 3.27Å; L87-Y114 HydrophobicContact CD2-CD1 3.64Å; L87-Y114 HydrophobicContact CD2-CD2 4.44Å; L87-Y114 HydrophobicContact CD2-CE1 3.48Å; L87-Y114 VanDerWaalsContact CD2-CE1 3.48Å; L87-Y114 HydrophobicContact CD2-CE2 4.3Å; L87-Y114 HydrophobicContact CD2-CG 4.13Å; L95-Y114 HydrophobicContact CD1-CD1 3.56Å; L95-Y114 HydrophobicContact CD1-CE1 3.68Å; Y101-Y114 HydrophobicContact CD1-CD1 4.16Å; Y101-Y114 HydrophobicContact CD1-CE1 4.22Å; Y101-Y114 AromaticContact CE1-CD1 3.83Å; Y101-Y114 HydrophobicContact CE1-CD1 3.83Å; Y101-Y114 AromaticContact CE1-CE1 3.45Å; Y101-Y114 HydrophobicContact CE1-CE1 3.45Å; Y101-Y114 VanDerWaalsContact CE1-CE1 3.45Å; I103-Y114 HydrophobicContact CD1-CE2 4.14Å; D110-Y114 PolarHBondContact O-OH 2.64Å; N112-Y114 HydrophobicContact CB-CE2 3.95Å; Y114-E128 WeakPolarHBondContact O-CA 3.3Å; Y114-M129 PolarHBondContact N-O 3.44Å; Y114-M129 PolarHBondContact O-N 3.03Å; Y114-V131 HydrophobicContact CD2-CB 4.14Å; Y114-V131 HydrophobicContact CD2-CG2 3.76Å; Y114-V131 HydrophobicContact CE2-CB 3.88Å; Y114-V131 HydrophobicContact CE2-CG2 3.88Å
115I91.6Very high89.1Confident30 Ų3063.9 Ų63.915%0.15434%0.337CS..EExtended strand (participates in β ladder)trans-107.9127.6170.9-50.6175.3000107.9W85 S86 V88 V127W85-I115 WeakPolarHBondContact CA-O 3.2Å; S86-I115 PolarHBondContact N-O 2.82Å; S86-I115 PolarHBondContact O-N 3.39Å; V88-I115 HydrophobicContact CB-CD1 4.44Å; V88-I115 HydrophobicContact CG2-CD1 3.81Å; V88-I115 HydrophobicContact CG2-CG1 3.56Å; I115-V127 WeakPolarHBondContact CA-O 3.37Å
116C92.1Very high88.9Confident0 Ų063 Ų630%033%0.33CS..EExtended strand (participates in β ladder)trans-91.8122.5156.6173.80000108.4C76 W85 S126 V127 M129C76-C116 HydrophobicContact CB-CB 3.9Å; C76-C116 WeakPolarHBondContact CB-SG 3.33Å; C76-C116 WeakPolarHBondContact SG-CB 3.31Å; C76-C116 CovalentContact SG-SG 2.03Å; C76-C116 PolarHBondContact SG-SG 2.84Å; W85-C116 HydrophobicContact CD2-CB 4.04Å; W85-C116 HydrophobicContact CE3-CB 3.91Å; W85-C116 HydrophobicContact CH2-CB 3.83Å; W85-C116 HydrophobicContact CZ2-CB 3.94Å; W85-C116 HydrophobicContact CZ3-CB 3.8Å; C116-S126 CarbonylContact O-C 3.53Å; C116-S126 VanDerWaalsContact O-CA 3.22Å; C116-S126 WeakPolarHBondContact O-CA 3.43Å; C116-V127 PolarHBondContact N-O 3.41Å; C116-V127 PolarHBondContact O-N 3.32Å; C116-M129 HydrophobicContact CB-CE 4.46Å
117H91.2Very high88.6Confident58 Ų5863.2 Ų63.227%0.26933%0.332SS..EExtended strand (participates in β ladder)trans-94.5129.5162.8-58.6-84.3000108.9Y83 Q84Y83-H117 CarbonylContact C-O 3.49Å; Y83-H117 WeakPolarHBondContact CA-O 3.31Å; Q84-H117 HydrophobicContact CB-CB 4.34Å; Q84-H117 PolarHBondContact N-O 3.43Å; Q84-H117 PolarHBondContact O-N 2.97Å
118A90.9Very high88.4Confident0 Ų062.1 Ų62.10%032%0.322CS..EExtended strand (participates in β ladder)trans-121.2125.2-179.800000109.2D78 A80 Y83 R124 S125D78-A118 HydrophobicContact CB-CB 4.05Å; A80-A118 HydrophobicContact CB-CB 3.74Å; Y83-A118 HydrophobicContact CD1-CB 4.28Å; Y83-A118 HydrophobicContact CE1-CB 4.41Å; A118-R124 WeakPolarHBondContact O-CA 3.37Å; A118-S125 PolarHBondContact N-O 3.16Å; A118-S125 PolarHBondContact O-N 3.07Å
119V89.3Confident88.3Confident52 Ų5257.2 Ų57.232%0.31530%0.296SS..EExtended strand (participates in β ladder)trans-112.2112.9-178.4-1690000109.8V81 F82 R124V81-V119 PolarHBondContact N-O 3.16Å; V81-V119 VanDerWaalsContact N-O 3.17Å; F82-V119 HydrophobicContact CB-CB 4.27Å; F82-V119 PolarHBondContact N-O 3.36Å; F82-V119 PolarHBondContact O-N 3.47Å; V119-R124 HydrophobicContact CG1-CG 4.25Å; V119-R124 HydrophobicContact CG2-CG 4.11Å
120H86.4Confident88.4Confident58 Ų5848.5 Ų48.527%0.26926%0.259SS..EExtended strand (participates in β ladder)trans-108.2167.8175.724.474.6000109.6Y122 G123 S125H120-Y122 PolarHBondContact O-N 3.12Å; H120-G123 PolarHBondContact N-O 2.95Å; H120-G123 VanDerWaalsContact N-O 3.09Å; H120-G123 PolarHBondContact ND1-O 3.03Å; H120-G123 PolarHBondContact O-N 2.89Å; H120-G123 VanDerWaalsContact O-N 3.13Å; H120-S125 PolarHBondContact NE2-OG 3.1Å
121G82.2Confident88.4Confident80 Ų8046.6 Ų46.683%0.82525%0.249SC*.THydrogen-bonded Turntrans-61.2-8.3-178.400000115.4
122Y81.4Confident88.4Confident233 Ų23345.9 Ų45.991%0.91424%0.242SC*.THydrogen-bonded Turntrans-109.3-7.1-178.8-58.3-77.5000113.8H120H120-Y122 PolarHBondContact O-N 3.12Å
123G84.4Confident88.4Confident33 Ų3344.3 Ų44.334%0.3423%0.234SC..EExtended strand (participates in β ladder)trans155.7-156.3-179.600000114.4H120H120-G123 PolarHBondContact N-O 2.95Å; H120-G123 VanDerWaalsContact N-O 3.09Å; H120-G123 PolarHBondContact ND1-O 3.03Å; H120-G123 PolarHBondContact O-N 2.89Å; H120-G123 VanDerWaalsContact O-N 3.13Å
124R85.3Confident88.4Confident184 Ų18442.6 Ų42.669%0.69423%0.227SC*.EExtended strand (participates in β ladder)trans-120.7131.2176.4-56.2-174.4179163.12.6109A118 V119A118-R124 WeakPolarHBondContact O-CA 3.37Å; V119-R124 HydrophobicContact CG1-CG 4.25Å; V119-R124 HydrophobicContact CG2-CG 4.11Å
125S86.1Confident88.2Confident29 Ų2945.2 Ų45.220%0.20324%0.242CC..EExtended strand (participates in β ladder)trans-111.6160.9163.155.90000110D78 A118 H120D78-S125 WeakPolarHBondContact OD2-CB 3.34Å; D78-S125 PolarHBondContact OD2-OG 3.43Å; A118-S125 PolarHBondContact N-O 3.16Å; A118-S125 PolarHBondContact O-N 3.07Å; H120-S125 PolarHBondContact NE2-OG 3.1Å
126S87.5Confident87.6Confident63 Ų6346 Ų4644%0.44124%0.244SC..EExtended strand (participates in β ladder)trans-144.4133.7177.258.90000110.5C116C116-S126 CarbonylContact O-C 3.53Å; C116-S126 VanDerWaalsContact O-CA 3.22Å; C116-S126 WeakPolarHBondContact O-CA 3.43Å
127V87.2Confident87.1Confident6 Ų650.7 Ų50.74%0.03628%0.277CS..EExtended strand (participates in β ladder)trans-122127.7-179.2-179.40000109.3T60 P77 I115 C116 M129T60-V127 WeakPolarHBondContact O-CG1 3Å; P77-V127 HydrophobicContact CG-CB 4.32Å; P77-V127 HydrophobicContact CG-CG1 4Å; P77-V127 HydrophobicContact CG-CG2 3.82Å; I115-V127 WeakPolarHBondContact CA-O 3.37Å; C116-V127 PolarHBondContact N-O 3.41Å; C116-V127 PolarHBondContact O-N 3.32Å; V127-M129 HydrophobicContact CB-CE 4.28Å; V127-M129 HydrophobicContact CG1-CE 3.83Å; V127-M129 HydrophobicContact CG1-CG 4.38Å
128E88.3Confident86.8Confident41 Ų4149.7 Ų49.719%0.19228%0.277CS..EExtended strand (participates in β ladder)trans-95.6130.7178.4-162.6-162.312800110.6L62 V88 R113 Y114L62-E128 PolarHBondContact N-O 2.91Å; V88-E128 HydrophobicContact CG2-CG 4.09Å; R113-E128 HydrophobicContact CB-CG 4.44Å; R113-E128 WeakPolarHBondContact CD-OE1 3.48Å; R113-E128 IonicContact CZ-OE1 3.27Å; R113-E128 IonicContact NE-OE1 3.46Å; R113-E128 PolarHBondContact NE-OE1 3.41Å; R113-E128 VanDerWaalsContact NH1-CD 3.28Å; R113-E128 IonicContact NH1-OE1 3.17Å; R113-E128 PolarHBondContact NH1-OE1 3.1Å; R113-E128 IonicContact NH1-OE2 3.31Å; R113-E128 PolarHBondContact NH1-OE2 2.95Å; R113-E128 IonicContact NH2-OE1 2.95Å; Y114-E128 WeakPolarHBondContact O-CA 3.3Å
129M87.8Confident86.4Confident0 Ų055 Ų550%030%0.304CS..EExtended strand (participates in β ladder)trans-127.3117.9-178.7-51.6-169.7-166.200109.8L62 Y64 L74 K75 W85 Y114 C116 V127L62-M129 HydrophobicContact CB-CB 4.44Å; L62-M129 HydrophobicContact CB-CG 4.15Å; L62-M129 HydrophobicContact CD1-CE 4.12Å; L62-M129 HydrophobicContact CD1-CG 4.34Å; L62-M129 HydrophobicContact CD1-SD 4.15Å; L62-M129 CarbonylContact O-C 3.57Å; L62-M129 WeakPolarHBondContact O-CA 3.25Å; Y64-M129 HydrophobicContact CE2-CB 4.31Å; Y64-M129 HydrophobicContact CE2-SD 4.3Å; L74-M129 HydrophobicContact CB-SD 4.24Å; K75-M129 WeakPolarHBondContact O-CE 3.34Å; W85-M129 HydrophobicContact CH2-CE 3.62Å; W85-M129 HydrophobicContact CH2-SD 3.68Å; W85-M129 HydrophobicContact CZ3-CE 4.09Å; W85-M129 HydrophobicContact CZ3-SD 3.88Å; Y114-M129 PolarHBondContact N-O 3.44Å; Y114-M129 PolarHBondContact O-N 3.03Å; C116-M129 HydrophobicContact CB-CE 4.46Å; V127-M129 HydrophobicContact CB-CE 4.28Å; V127-M129 HydrophobicContact CG1-CE 3.83Å; V127-M129 HydrophobicContact CG1-CG 4.38Å
130S90.4Very high86.2Confident6 Ų655.6 Ų55.64%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-88119.6176.7-68.10000110L62 G63 Y64 L162L62-S130 PolarHBondContact O-N 3.11Å; G63-S130 CarbonylContact C-O 3.53Å; G63-S130 VanDerWaalsContact CA-O 3.29Å; G63-S130 WeakPolarHBondContact CA-O 3.04Å; Y64-S130 PolarHBondContact N-O 3.31Å; S130-L162 WeakPolarHBondContact OG-CD2 3.48Å
131V90.9Very high85.9Confident0 Ų053 Ų530%030%0.297CS..EExtended strand (participates in β ladder)trans-109.9132.9172.4-177.70000108.6Y64 I66 L72 L74 I103 S111 N112 Y114 V133 L162Y64-V131 HydrophobicContact CD2-CG2 4.26Å; I66-V131 HydrophobicContact CD1-CG1 4.06Å; I66-V131 HydrophobicContact CG1-CG1 4.35Å; L72-V131 HydrophobicContact CD2-CG1 3.86Å; L72-V131 HydrophobicContact CD2-CG2 3.94Å; L74-V131 HydrophobicContact CD1-CG2 3.99Å; L74-V131 HydrophobicContact CD2-CG2 3.94Å; L74-V131 HydrophobicContact CG-CG2 4.5Å; I103-V131 HydrophobicContact CD1-CB 4.47Å; I103-V131 HydrophobicContact CD1-CG1 4.03Å; I103-V131 HydrophobicContact CD1-CG2 4.22Å; S111-V131 CarbonylContact C-O 3.54Å; S111-V131 VanDerWaalsContact CA-O 3.23Å; S111-V131 WeakPolarHBondContact CA-O 3.38Å; N112-V131 PolarHBondContact N-O 3Å; N112-V131 PolarHBondContact O-N 3.47Å; Y114-V131 HydrophobicContact CD2-CB 4.14Å; Y114-V131 HydrophobicContact CD2-CG2 3.76Å; Y114-V131 HydrophobicContact CE2-CB 3.88Å; Y114-V131 HydrophobicContact CE2-CG2 3.88Å; V131-V133 HydrophobicContact CG1-CG2 4.4Å; V131-L162 WeakPolarHBondContact O-CD1 3.47Å
132R91.4Very high85.8Confident13 Ų1352.6 Ų52.65%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-122.8124.4173.1179.364.3-172.8-155.6-5.6109.1Y64 L65 I66 I134 E144 F161 L162 S164 V187Y64-R132 PolarHBondContact O-N 2.93Å; L65-R132 WeakPolarHBondContact CA-O 3.4Å; L65-R132 HydrophobicContact CD1-CB 3.81Å; L65-R132 HydrophobicContact CD1-CG 3.59Å; I66-R132 PolarHBondContact N-O 2.92Å; R132-I134 HydrophobicContact CG-CG2 4Å; R132-E144 IonicContact CZ-OE2 3.21Å; R132-E144 IonicContact NH1-OE2 3.7Å; R132-E144 IonicContact NH2-OE2 2.65Å; R132-E144 PolarHBondContact NH2-OE2 2.64Å; R132-F161 WeakPolarHBondContact CD-O 3.42Å; R132-F161 PolarHBondContact NE-O 2.9Å; R132-F161 PolarHBondContact NH1-O 3.05Å; R132-L162 HydrophobicContact CB-CD1 4.18Å; R132-L162 VanDerWaalsContact CD-O 3.24Å; R132-L162 WeakPolarHBondContact CD-O 3.48Å; R132-L162 PolarHBondContact NH1-O 2.89Å; R132-S164 PolarHBondContact NH1-OG 3.48Å; R132-S164 PolarHBondContact NH2-OG 2.89Å; R132-S164 VanDerWaalsContact NH2-OG 3.08Å; R132-V187 HydrophobicContact CB-CG2 3.4Å; R132-V187 VanDerWaalsContact CB-CG2 3.4Å; R132-V187 HydrophobicContact CG-CG2 4.17Å
133V91.2Very high86Confident0 Ų048.4 Ų48.40%026%0.262CS..EExtended strand (participates in β ladder)trans-103.9124.3174.6-168.20000108.3I66 V68 A106 T107 L108 D110 S111 V131I66-V133 HydrophobicContact CD1-CG2 4.01Å; I66-V133 HydrophobicContact CG1-CB 4.37Å; I66-V133 HydrophobicContact CG1-CG1 4.36Å; I66-V133 HydrophobicContact CG1-CG2 3.86Å; I66-V133 WeakPolarHBondContact O-CA 3.49Å; V68-V133 HydrophobicContact CB-CG1 4.48Å; V68-V133 HydrophobicContact CG2-CG1 3.86Å; A106-V133 HydrophobicContact CB-CG1 3.94Å; A106-V133 HydrophobicContact CB-CG2 4Å; T107-V133 WeakPolarHBondContact O-CB 3.26Å; T107-V133 WeakPolarHBondContact O-CG1 3.32Å; T107-V133 VanDerWaalsContact O-CG2 3.31Å; T107-V133 WeakPolarHBondContact O-CG2 3.43Å; L108-V133 WeakPolarHBondContact CD2-O 3.31Å; D110-V133 HydrophobicContact CB-CG2 4.04Å; S111-V133 PolarHBondContact OG-N 3.41Å; S111-V133 PolarHBondContact OG-O 3.05Å; V131-V133 HydrophobicContact CG1-CG2 4.4Å
134I88.3Confident86.2Confident2 Ų247.7 Ų47.71%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-121.5140.3179.451.6168.3000112.6L65 I66 R67 V68 R132 F136 V154L65-I134 HydrophobicContact CD1-CD1 3.77Å; L65-I134 HydrophobicContact CD1-CG1 3.83Å; L65-I134 HydrophobicContact CD1-CG2 4.07Å; L65-I134 HydrophobicContact CD2-CD1 3.93Å; L65-I134 HydrophobicContact CG-CD1 3.96Å; L65-I134 HydrophobicContact CG-CG1 4.26Å; I66-I134 PolarHBondContact O-N 3.29Å; R67-I134 WeakPolarHBondContact CA-O 3.26Å; V68-I134 PolarHBondContact N-O 2.97Å; V68-I134 VanDerWaalsContact N-O 3.14Å; R132-I134 HydrophobicContact CG-CG2 4Å; I134-F136 HydrophobicContact CD1-CD2 3.78Å; I134-F136 HydrophobicContact CD1-CE1 4.1Å; I134-F136 HydrophobicContact CD1-CE2 3.16Å; I134-F136 HydrophobicContact CD1-CG 4.47Å; I134-F136 HydrophobicContact CD1-CZ 3.36Å; I134-F136 HydrophobicContact CG1-CD2 3.91Å; I134-F136 HydrophobicContact CG1-CE2 3.5Å; I134-F136 VanDerWaalsContact CG1-CE2 3.5Å; I134-F136 HydrophobicContact CG1-CZ 4.2Å; I134-V154 HydrophobicContact CD1-CG1 4.27Å
135D87.9Confident86.4Confident61 Ų6139.1 Ų39.133%0.32622%0.218SC..  trans-93.5108.9161.8-173.6-13.6000108.4V68 L108 S137 S138 A141V68-D135 HydrophobicContact CG2-CB 4.05Å; L108-D135 HydrophobicContact CD2-CB 4.39Å; D135-S137 VanDerWaalsContact CG-OG 3.25Å; D135-S137 PolarHBondContact O-N 3.5Å; D135-S137 WeakPolarHBondContact OD1-CB 3.16Å; D135-S137 PolarHBondContact OD1-N 2.91Å; D135-S137 PolarHBondContact OD1-OG 3.14Å; D135-S137 PolarHBondContact OD2-OG 3.33Å; D135-S138 WeakPolarHBondContact O-CB 3.42Å; D135-S138 PolarHBondContact O-N 2.85Å; D135-S138 VanDerWaalsContact O-N 3.1Å; D135-A141 VanDerWaalsContact O-CB 3.29Å; D135-A141 WeakPolarHBondContact O-CB 3.33Å
136F80.7Confident86.5Confident46 Ų4637.9 Ų37.920%0.20221%0.209CC..THydrogen-bonded Turntrans-66-13.8179.3-80.1-105.1000113.4R67 I134 V154 T156R67-F136 HydrophobicContact CG-CD2 3.71Å; R67-F136 HydrophobicContact CG-CE2 3.48Å; R67-F136 VanDerWaalsContact CG-CE2 3.48Å; R67-F136 VanDerWaalsContact NH2-CZ 3.28Å; I134-F136 HydrophobicContact CD1-CD2 3.78Å; I134-F136 HydrophobicContact CD1-CE1 4.1Å; I134-F136 HydrophobicContact CD1-CE2 3.16Å; I134-F136 HydrophobicContact CD1-CG 4.47Å; I134-F136 HydrophobicContact CD1-CZ 3.36Å; I134-F136 HydrophobicContact CG1-CD2 3.91Å; I134-F136 HydrophobicContact CG1-CE2 3.5Å; I134-F136 VanDerWaalsContact CG1-CE2 3.5Å; I134-F136 HydrophobicContact CG1-CZ 4.2Å; F136-V154 HydrophobicContact CD1-CB 3.78Å; F136-V154 HydrophobicContact CD1-CG1 4.17Å; F136-V154 HydrophobicContact CE1-CB 3.77Å; F136-V154 HydrophobicContact CE1-CG1 3.7Å; F136-V154 HydrophobicContact CZ-CG1 4.33Å; F136-T156 HydrophobicContact CE1-CG2 3.97Å; F136-T156 HydrophobicContact CZ-CG2 3.96Å
137S80.9Confident86.4Confident99 Ų9938.9 Ų38.969%0.69221%0.209SC*.THydrogen-bonded Turntrans-87-11.2174.473.70000113.5D135D135-S137 VanDerWaalsContact CG-OG 3.25Å; D135-S137 PolarHBondContact O-N 3.5Å; D135-S137 WeakPolarHBondContact OD1-CB 3.16Å; D135-S137 PolarHBondContact OD1-N 2.91Å; D135-S137 PolarHBondContact OD1-OG 3.14Å; D135-S137 PolarHBondContact OD2-OG 3.33Å
138S84.5Confident86.1Confident38 Ų3840.5 Ų40.527%0.26622%0.217SC..  trans-79.4134.2-179.6-178.90000112.4D135 T140 A141D135-S138 WeakPolarHBondContact O-CB 3.42Å; D135-S138 PolarHBondContact O-N 2.85Å; D135-S138 VanDerWaalsContact O-N 3.1Å; S138-T140 PolarHBondContact O-N 3.1Å; S138-T140 WeakPolarHBondContact OG-CB 3.4Å; S138-T140 PolarHBondContact OG-N 2.82Å; S138-T140 PolarHBondContact OG-OG1 3.38Å; S138-A141 WeakPolarHBondContact O-CB 3.46Å; S138-A141 PolarHBondContact O-N 2.91Å; S138-A141 VanDerWaalsContact O-N 3.07Å
139I83.5Confident85.7Confident110 Ų11044.3 Ų44.356%0.56425%0.248SC*.Hα-helixtrans-55.7-33.6170.1-16571.6000111.7A141 Q142 H143I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 3.26Å; I139-Q142 WeakPolarHBondContact O-CB 3.11Å; I139-Q142 PolarHBondContact O-N 3.19Å; I139-Q142 VanDerWaalsContact O-N 3.17Å; I139-H143 PolarHBondContact O-CD2 2.83Å; I139-H143 PolarHBondContact O-N 2.86Å
140T83.2Confident85.3Confident66 Ų6652.3 Ų52.341%0.40528%0.283SS..Hα-helixtrans-62.1-38177.7-49.70000111.7S138 Q142 H143 E144S138-T140 PolarHBondContact O-N 3.1Å; S138-T140 WeakPolarHBondContact OG-CB 3.4Å; S138-T140 PolarHBondContact OG-N 2.82Å; S138-T140 PolarHBondContact OG-OG1 3.38Å; T140-Q142 VanDerWaalsContact C-N 3.26Å; T140-Q142 PolarHBondContact O-N 3.41Å; T140-H143 PolarHBondContact O-N 2.69Å; T140-H143 VanDerWaalsContact O-N 3.16Å; T140-E144 HydrophobicContact CG2-CG 4.24Å; T140-E144 WeakPolarHBondContact O-CB 3.36Å; T140-E144 WeakPolarHBondContact O-CG 3.23Å; T140-E144 PolarHBondContact O-N 3.29Å
141A82.1Confident84.9Confident4 Ų455.9 Ų55.93%0.03331%0.305CS..Hα-helixtrans-66.7-28.5178.800000112.5D135 S138 I139 H143 C145 V154D135-A141 VanDerWaalsContact O-CB 3.29Å; D135-A141 WeakPolarHBondContact O-CB 3.33Å; S138-A141 WeakPolarHBondContact O-CB 3.46Å; S138-A141 PolarHBondContact O-N 2.91Å; S138-A141 VanDerWaalsContact O-N 3.07Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 3.26Å; A141-H143 VanDerWaalsContact C-N 3.34Å; A141-C145 VanDerWaalsContact O-CB 3.26Å; A141-C145 WeakPolarHBondContact O-CB 3.5Å; A141-C145 PolarHBondContact O-N 3.28Å; A141-V154 HydrophobicContact CB-CG2 4.15Å; A141-V154 WeakPolarHBondContact O-CG2 3.45Å
142Q80Confident84.3Confident70 Ų7057.9 Ų57.933%0.32733%0.325SS..Hα-helixtrans-70.7-29.4175.2-59.6-178.3-3.200112.4I139 T140 I147I139-Q142 WeakPolarHBondContact O-CB 3.11Å; I139-Q142 PolarHBondContact O-N 3.19Å; I139-Q142 VanDerWaalsContact O-N 3.17Å; T140-Q142 VanDerWaalsContact C-N 3.26Å; T140-Q142 PolarHBondContact O-N 3.41Å; Q142-I147 HydrophobicContact CB-CD1 4.39Å; Q142-I147 WeakPolarHBondContact O-CD1 3.48Å
143H83.8Confident83.8Confident146 Ų14661.8 Ų61.868%0.67635%0.347SS*.Hα-helixtrans-86.1-24.8175.9-68.2-67000113.5I139 T140 A141I139-H143 PolarHBondContact O-CD2 2.83Å; I139-H143 PolarHBondContact O-N 2.86Å; T140-H143 PolarHBondContact O-N 2.69Å; T140-H143 VanDerWaalsContact O-N 3.16Å; A141-H143 VanDerWaalsContact C-N 3.34Å
144E88.9Confident83.3Confident17 Ų1762.3 Ų62.38%0.07935%0.351CS..Hα-helixtrans-101.7-11.7-174.5-66.5-178.1160.600114.7R132 T140 C160 F161 S164R132-E144 IonicContact CZ-OE2 3.21Å; R132-E144 IonicContact NH1-OE2 3.7Å; R132-E144 IonicContact NH2-OE2 2.65Å; R132-E144 PolarHBondContact NH2-OE2 2.64Å; T140-E144 HydrophobicContact CG2-CG 4.24Å; T140-E144 WeakPolarHBondContact O-CB 3.36Å; T140-E144 WeakPolarHBondContact O-CG 3.23Å; T140-E144 PolarHBondContact O-N 3.29Å; E144-C160 WeakPolarHBondContact O-CA 3.28Å; E144-F161 HydrophobicContact CB-CD2 4.44Å; E144-F161 WeakPolarHBondContact O-CD2 3.5Å; E144-F161 PolarHBondContact O-N 2.8Å; E144-S164 VanDerWaalsContact CD-OG 3.24Å; E144-S164 WeakPolarHBondContact OE1-CA 3.27Å; E144-S164 WeakPolarHBondContact OE1-CB 3.38Å; E144-S164 PolarHBondContact OE1-OG 2.98Å; E144-S164 VanDerWaalsContact OE1-OG 3.11Å; E144-S164 PolarHBondContact OE2-OG 2.83Å
145C90.4Very high82.9Confident4 Ų463.9 Ų63.93%0.02736%0.359CS..BIsolated β-bridgetrans-122155.1176.8-63.70000112.1A141 I147 V154 C160 I317A141-C145 VanDerWaalsContact O-CB 3.26Å; A141-C145 WeakPolarHBondContact O-CB 3.5Å; A141-C145 PolarHBondContact O-N 3.28Å; C145-I147 PolarHBondContact O-N 2.87Å; C145-V154 HydrophobicContact CB-CB 4.37Å; C145-V154 HydrophobicContact CB-CG1 3.45Å; C145-V154 VanDerWaalsContact CB-CG1 3.45Å; C145-V154 HydrophobicContact CB-CG2 4.08Å; C145-C160 HydrophobicContact CB-CB 4.05Å; C145-C160 WeakPolarHBondContact CB-SG 3.48Å; C145-C160 WeakPolarHBondContact SG-CB 3.39Å; C145-C160 CovalentContact SG-SG 2.03Å; C145-C160 PolarHBondContact SG-SG 2.86Å; C145-I317 VanDerWaalsContact C-CG2 3.4Å
146A88.4Confident82.2Confident3 Ų363.5 Ų63.53%0.02536%0.359CS..  trans-63.313417400000110.3N155 P159 P315 I317A146-N155 WeakPolarHBondContact O-CB 3.37Å; A146-N155 PolarHBondContact O-N 3.4Å; A146-P159 HydrophobicContact CB-CG 4.3Å; A146-P159 PolarHBondContact N-O 2.96Å; A146-P315 HydrophobicContact CB-CB 3.86Å; A146-I317 HydrophobicContact CB-CG2 3.92Å
147I85Confident82Confident84 Ų8466.3 Ų66.343%0.43138%0.376SS..BIsolated β-bridgetrans-90.8139.6177.2-60.5175.6000109.1Q142 C145 S149 G152 N153Q142-I147 HydrophobicContact CB-CD1 4.39Å; Q142-I147 WeakPolarHBondContact O-CD1 3.48Å; C145-I147 PolarHBondContact O-N 2.87Å; I147-S149 PolarHBondContact O-N 2.95Å; I147-G152 VanDerWaalsContact CG2-C 3.5Å; I147-N153 WeakPolarHBondContact CA-O 3.39Å
148D80.5Confident82Confident41 Ų4161.6 Ų61.622%0.21934%0.343CS..  trans-75.2114.1167.7167.422000109.7K150 T151 G152 N153 N155D148-K150 PolarHBondContact O-N 3.33Å; D148-K150 PolarHBondContact OD1-N 2.87Å; D148-T151 WeakPolarHBondContact CB-OG1 3.31Å; D148-T151 PolarHBondContact O-N 3.12Å; D148-T151 VanDerWaalsContact O-N 3.1Å; D148-T151 VanDerWaalsContact OD2-CG2 3.29Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.45Å; D148-T151 PolarHBondContact OD2-OG1 2.91Å; D148-G152 PolarHBondContact O-N 2.87Å; D148-N153 PolarHBondContact N-O 2.9Å; D148-N155 HydrophobicContact CB-CB 4.01Å
149S79.3Confident82.3Confident120 Ų12059.8 Ų59.884%0.83933%0.331SS*.THydrogen-bonded Turntrans-45.9-25.817560.60000115.9I147I147-S149 PolarHBondContact O-N 2.95Å
150K80.2Confident82.6Confident168 Ų16854.6 Ų54.673%0.7330%0.304SS*.THydrogen-bonded Turntrans-90.9-33.6-178.2-63.1178.7-177.2173.80113.7D148D148-K150 PolarHBondContact O-N 3.33Å; D148-K150 PolarHBondContact OD1-N 2.87Å
151T81.6Confident83.1Confident81 Ų8151.6 Ų51.650%0.49729%0.285SS..THydrogen-bonded Turntrans-110.5-16.2-171.2590000113.7D148 N153D148-T151 WeakPolarHBondContact CB-OG1 3.31Å; D148-T151 PolarHBondContact O-N 3.12Å; D148-T151 VanDerWaalsContact O-N 3.1Å; D148-T151 VanDerWaalsContact OD2-CG2 3.29Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.45Å; D148-T151 PolarHBondContact OD2-OG1 2.91Å; T151-N153 PolarHBondContact O-N 3.2Å; T151-N153 VanDerWaalsContact O-N 3.17Å; T151-N153 PolarHBondContact O-ND2 2.97Å
152G79.2Confident83.5Confident42 Ų4251.6 Ų51.643%0.43329%0.285SS..SBendtrans69.80.8-173.600000114I147 D148I147-G152 VanDerWaalsContact CG2-C 3.5Å; D148-G152 PolarHBondContact O-N 2.87Å
153N80.7Confident83.9Confident96 Ų9650.4 Ų50.451%0.51328%0.282SS..SBendtrans-92.6163.1178.2-65.3-52.5000110.9I147 D148 T151 N155I147-N153 WeakPolarHBondContact CA-O 3.39Å; D148-N153 PolarHBondContact N-O 2.9Å; T151-N153 PolarHBondContact O-N 3.2Å; T151-N153 VanDerWaalsContact O-N 3.17Å; T151-N153 PolarHBondContact O-ND2 2.97Å; N153-N155 PolarHBondContact O-N 3.33Å; N153-N155 VanDerWaalsContact O-N 3.15Å
154V80.3Confident84.1Confident11 Ų1146.4 Ų46.47%0.06727%0.271CS..BIsolated β-bridgetrans-56.8119.5171.31730000110.1I134 F136 A141 C145 T156I134-V154 HydrophobicContact CD1-CG1 4.27Å; F136-V154 HydrophobicContact CD1-CB 3.78Å; F136-V154 HydrophobicContact CD1-CG1 4.17Å; F136-V154 HydrophobicContact CE1-CB 3.77Å; F136-V154 HydrophobicContact CE1-CG1 3.7Å; F136-V154 HydrophobicContact CZ-CG1 4.33Å; A141-V154 HydrophobicContact CB-CG2 4.15Å; A141-V154 WeakPolarHBondContact O-CG2 3.45Å; C145-V154 HydrophobicContact CB-CB 4.37Å; C145-V154 HydrophobicContact CB-CG1 3.45Å; C145-V154 VanDerWaalsContact CB-CG1 3.45Å; C145-V154 HydrophobicContact CB-CG2 4.08Å; V154-T156 PolarHBondContact O-N 2.87Å
155N79.9Confident84.2Confident34 Ų3447.4 Ų47.418%0.18228%0.276CS..  trans-69.9112.5174.5-178.2-4.9000108.7A146 D148 N153 N157 G158A146-N155 WeakPolarHBondContact O-CB 3.37Å; A146-N155 PolarHBondContact O-N 3.4Å; D148-N155 HydrophobicContact CB-CB 4.01Å; N153-N155 PolarHBondContact O-N 3.33Å; N153-N155 VanDerWaalsContact O-N 3.15Å; N155-N157 PolarHBondContact O-N 3.26Å; N155-N157 PolarHBondContact OD1-N 3.2Å; N155-G158 PolarHBondContact O-N 3.45Å
156T74Confident84.1Confident54 Ų5451 Ų5133%0.33130%0.299SS..THydrogen-bonded Turntrans-56.5-38178.650.70000112.1F136 V154 G158 T189F136-T156 HydrophobicContact CE1-CG2 3.97Å; F136-T156 HydrophobicContact CZ-CG2 3.96Å; V154-T156 PolarHBondContact O-N 2.87Å; T156-G158 PolarHBondContact O-N 2.93Å; T156-T189 WeakPolarHBondContact O-CG2 3.41Å; T156-T189 PolarHBondContact O-OG1 3.47Å
157N76.3Confident84.2Confident105 Ų10557.1 Ų57.156%0.56133%0.33SS*.THydrogen-bonded Turntrans-84.8-0.7-175.5-54.5-1.8000112.4N155N155-N157 PolarHBondContact O-N 3.26Å; N155-N157 PolarHBondContact OD1-N 3.2Å
158G81.5Confident84.5Confident0 Ų063.4 Ų63.40%035%0.349CS..SBendtrans-89.9169.6177.600000112.9N155 T156N155-G158 PolarHBondContact O-N 3.45Å; T156-G158 PolarHBondContact O-N 2.93Å
159P89.6Confident85Confident0 Ų066.1 Ų66.10%036%0.36CS..  trans-73.2145.6172.830-31.8000111.3A146 A186 V187 L198 V290 T292 I317A146-P159 HydrophobicContact CB-CG 4.3Å; A146-P159 PolarHBondContact N-O 2.96Å; P159-A186 HydrophobicContact CB-CB 4.46Å; P159-V187 CarbonylContact C-O 3.52Å; P159-V187 WeakPolarHBondContact CA-O 3.03Å; P159-L198 HydrophobicContact CB-CD2 3.95Å; P159-V290 HydrophobicContact CB-CG1 4.37Å; P159-T292 HydrophobicContact CG-CG2 4.46Å; P159-I317 HydrophobicContact CB-CD1 3.9Å; P159-I317 HydrophobicContact CB-CG1 4.18Å; P159-I317 HydrophobicContact CG-CD1 4.22Å; P159-I317 HydrophobicContact CG-CG1 3.97Å; P159-I317 HydrophobicContact CG-CG2 4.33Å; P159-I317 WeakPolarHBondContact O-CG2 3.47Å
160C91Very high85.6Confident0 Ų062.3 Ų62.30%033%0.33CS..EExtended strand (participates in β ladder)trans-123.8138.9166.5-72.60000109.1L65 E144 C145 A186 V187L65-C160 HydrophobicContact CD1-CB 3.92Å; L65-C160 HydrophobicContact CD2-CB 4.34Å; L65-C160 WeakPolarHBondContact CD2-SG 3.24Å; E144-C160 WeakPolarHBondContact O-CA 3.28Å; C145-C160 HydrophobicContact CB-CB 4.05Å; C145-C160 WeakPolarHBondContact CB-SG 3.48Å; C145-C160 WeakPolarHBondContact SG-CB 3.39Å; C145-C160 CovalentContact SG-SG 2.03Å; C145-C160 PolarHBondContact SG-SG 2.86Å; C160-A186 CarbonylContact O-C 3.55Å; C160-A186 WeakPolarHBondContact O-CA 3.42Å; C160-A186 WeakPolarHBondContact O-CB 3.28Å; C160-V187 PolarHBondContact N-O 2.92Å; C160-V187 PolarHBondContact O-N 2.88Å
161F92.6Very high86.3Confident3 Ų358 Ų581%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-61.5139.6169.9-66.8-63.7000111R132 E144 C184 D185 V290 I317 R319R132-F161 WeakPolarHBondContact CD-O 3.42Å; R132-F161 PolarHBondContact NE-O 2.9Å; R132-F161 PolarHBondContact NH1-O 3.05Å; E144-F161 HydrophobicContact CB-CD2 4.44Å; E144-F161 WeakPolarHBondContact O-CD2 3.5Å; E144-F161 PolarHBondContact O-N 2.8Å; F161-C184 HydrophobicContact CE1-CB 4.3Å; F161-D185 CarbonylContact C-O 3.6Å; F161-D185 WeakPolarHBondContact CA-O 3.28Å; F161-V290 HydrophobicContact CE1-CG2 3.97Å; F161-I317 HydrophobicContact CD1-CD1 3.71Å; F161-I317 HydrophobicContact CD2-CD1 3.83Å; F161-I317 HydrophobicContact CE1-CD1 3.66Å; F161-I317 HydrophobicContact CE1-CG1 3.97Å; F161-I317 HydrophobicContact CE2-CB 3.9Å; F161-I317 HydrophobicContact CE2-CD1 3.79Å; F161-I317 HydrophobicContact CE2-CG1 3.99Å; F161-I317 HydrophobicContact CG-CD1 3.78Å; F161-I317 HydrophobicContact CZ-CB 3.95Å; F161-I317 HydrophobicContact CZ-CD1 3.68Å; F161-I317 HydrophobicContact CZ-CG1 3.67Å; F161-R319 HydrophobicContact CE1-CB 3.96Å; F161-R319 HydrophobicContact CE2-CB 3.77Å; F161-R319 VanDerWaalsContact CG-NH2 3.33Å; F161-R319 HydrophobicContact CZ-CB 3.37Å
162L89.8Confident86.9Confident5 Ų554.8 Ų54.83%0.02630%0.296CS..SBendtrans-72.6-44.6-179.6179.759.1000111.1R113 S130 V131 R132 D185 V187R113-L162 HydrophobicContact CG-CD2 3.72Å; S130-L162 WeakPolarHBondContact OG-CD2 3.48Å; V131-L162 WeakPolarHBondContact O-CD1 3.47Å; R132-L162 HydrophobicContact CB-CD1 4.18Å; R132-L162 VanDerWaalsContact CD-O 3.24Å; R132-L162 WeakPolarHBondContact CD-O 3.48Å; R132-L162 PolarHBondContact NH1-O 2.89Å; L162-D185 HydrophobicContact CB-CB 3.94Å; L162-D185 HydrophobicContact CD2-CB 4.04Å; L162-D185 PolarHBondContact N-O 2.83Å; L162-V187 HydrophobicContact CD1-CG1 4.17Å
163T89.2Confident87.6Confident44 Ų4456.6 Ų56.627%0.2730%0.299SS..SBendtrans-98138.5177.752.80000110.8D183 R319T163-D183 WeakPolarHBondContact CB-OD2 3.28Å; T163-D183 WeakPolarHBondContact CG2-OD2 3.5Å; T163-D183 PolarHBondContact OG1-OD2 2.81Å; T163-R319 PolarHBondContact O-NH2 2.73Å; T163-R319 PolarHBondContact OG1-NH1 3.31Å
164S88.2Confident88.2Confident63 Ų6355.1 Ų55.144%0.44129%0.287SS..  trans-91.8127.7165.3-63.10000108.4R132 E144R132-S164 PolarHBondContact NH1-OG 3.48Å; R132-S164 PolarHBondContact NH2-OG 2.89Å; R132-S164 VanDerWaalsContact NH2-OG 3.08Å; E144-S164 VanDerWaalsContact CD-OG 3.24Å; E144-S164 WeakPolarHBondContact OE1-CA 3.27Å; E144-S164 WeakPolarHBondContact OE1-CB 3.38Å; E144-S164 PolarHBondContact OE1-OG 2.98Å; E144-S164 VanDerWaalsContact OE1-OG 3.11Å; E144-S164 PolarHBondContact OE2-OG 2.83Å
165L89.8Confident88.6Confident38 Ų3857.2 Ų57.220%0.19930%0.303CS..  trans-112.5139.1-175.2-61.7-176.3000110.8E169 L170 F321L165-E169 HydrophobicContact CB-CB 4.21Å; L165-E169 HydrophobicContact CD2-CB 4.34Å; L165-L170 HydrophobicContact CB-CD2 4.05Å; L165-L170 HydrophobicContact CB-CG 4.15Å; L165-L170 HydrophobicContact CD1-CD2 3.96Å; L165-F321 HydrophobicContact CD1-CE1 3.72Å; L165-F321 HydrophobicContact CD1-CZ 4.2Å
166T90.1Very high89Confident80 Ų8059.4 Ų59.449%0.49131%0.308SS..  trans-78.1160.3173.5640000111.6R168 E169 L170T166-R168 PolarHBondContact O-N 3.11Å; T166-E169 WeakPolarHBondContact CB-OE2 2.97Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.35Å; T166-E169 PolarHBondContact N-OE2 3.03Å; T166-E169 PolarHBondContact O-N 3.28Å; T166-E169 PolarHBondContact OG1-OE2 3.09Å; T166-L170 PolarHBondContact O-N 3.2Å
167D88.9Confident89.5Confident130 Ų13058.7 Ų58.770%0.69531%0.312SS*.Hα-helixtrans-53.8-29.6175.3-65.3-37.3000113.2N171D167-N171 VanDerWaalsContact O-CB 3.31Å; D167-N171 WeakPolarHBondContact O-CB 3.45Å; D167-N171 PolarHBondContact O-N 2.72Å; D167-N171 PolarHBondContact O-ND2 2.89Å
168R91Very high90.2Very high216 Ų21656.6 Ų56.682%0.81530%0.301SS*.Hα-helixtrans-71.8-31.4176.9-176.2178.8176.3-170.3-2112.9T166 N171T166-R168 PolarHBondContact O-N 3.11Å; R168-N171 CarbonylContact O-C 3.47Å
169E91.6Very high90.7Very high99 Ų9961.6 Ų61.646%0.46332%0.324SS..Hα-helixtrans-82.2-29.6176.5-69158.5134.300111.3L165 T166 P172L165-E169 HydrophobicContact CB-CB 4.21Å; L165-E169 HydrophobicContact CD2-CB 4.34Å; T166-E169 WeakPolarHBondContact CB-OE2 2.97Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.35Å; T166-E169 PolarHBondContact N-OE2 3.03Å; T166-E169 PolarHBondContact O-N 3.28Å; T166-E169 PolarHBondContact OG1-OE2 3.09Å; E169-P172 WeakPolarHBondContact O-CD 3.45Å
170L92.9Very high90.9Very high39 Ų3962.1 Ų62.120%0.20433%0.327CS..Hα-helixtrans-75.4-26.6169.3-61.8175.1000112.8L165 T166 P172 R319 F321 R322L165-L170 HydrophobicContact CB-CD2 4.05Å; L165-L170 HydrophobicContact CB-CG 4.15Å; L165-L170 HydrophobicContact CD1-CD2 3.96Å; T166-L170 PolarHBondContact O-N 3.2Å; L170-P172 WeakPolarHBondContact O-CD 3.34Å; L170-R319 HydrophobicContact CD2-CG 3.92Å; L170-F321 HydrophobicContact CD2-CD1 4.21Å; L170-F321 HydrophobicContact CD2-CE1 4.16Å; L170-F321 CarbonylContact O-C 3.49Å; L170-F321 WeakPolarHBondContact O-CA 3.3Å; L170-R322 PolarHBondContact O-N 3.33Å
171N94.6Very high90.9Very high77 Ų7766.1 Ų66.141%0.41235%0.347SS..SBendtrans-116.559.6176.5-61.3-93.8000111.9D167 R168 T173 R322D167-N171 VanDerWaalsContact O-CB 3.31Å; D167-N171 WeakPolarHBondContact O-CB 3.45Å; D167-N171 PolarHBondContact O-N 2.72Å; D167-N171 PolarHBondContact O-ND2 2.89Å; R168-N171 CarbonylContact O-C 3.47Å; N171-T173 PolarHBondContact O-N 2.93Å; N171-R322 WeakPolarHBondContact OD1-CB 3.37Å
172P93.7Very high90.9Very high14 Ų1466.1 Ų66.19%0.09135%0.347CS..  trans-70.4130.3-173.229.3-33.5000111.1E169 L170 I180 F182 L323 T324E169-P172 WeakPolarHBondContact O-CD 3.45Å; L170-P172 WeakPolarHBondContact O-CD 3.34Å; P172-I180 HydrophobicContact CB-CD1 3.61Å; P172-I180 HydrophobicContact CG-CD1 3.45Å; P172-I180 VanDerWaalsContact CG-CD1 3.45Å; P172-F182 HydrophobicContact CG-CE1 3.99Å; P172-L323 HydrophobicContact CG-CD1 4.27Å; P172-T324 PolarHBondContact O-N 3.04Å
173T93.3Very high91Very high81 Ų8167.1 Ų67.150%0.49735%0.353SS..EExtended strand (participates in β ladder)trans-104123.4169-54.30000109.8N171 T324 K326N171-T173 PolarHBondContact O-N 2.93Å; T173-T324 CarbonylContact C-O 3.47Å; T173-T324 VanDerWaalsContact CA-O 3.26Å; T173-T324 WeakPolarHBondContact CA-O 3.4Å; T173-T324 HydrophobicContact CG2-CG2 4.3Å; T173-K326 HydrophobicContact CG2-CD 4.3Å; T173-K326 HydrophobicContact CG2-CG 4Å
174K93.3Very high91.2Very high64 Ų6465 Ų6528%0.27834%0.34SS..EExtended strand (participates in β ladder)trans-123.7159.9-178-69.1-70.9-174.7151.50110.9D178 H179 I180 L278 L323 T324 V325 K326K174-D178 HydrophobicContact CB-CB 4.2Å; K174-D178 HydrophobicContact CD-CB 4.23Å; K174-H179 PolarHBondContact NZ-O 3.1Å; K174-I180 HydrophobicContact CG-CD1 4.22Å; K174-L278 HydrophobicContact CB-CD1 3.55Å; K174-L278 HydrophobicContact CG-CD1 3.81Å; K174-L323 HydrophobicContact CB-CD1 4.42Å; K174-L323 HydrophobicContact CG-CD1 4.25Å; K174-T324 PolarHBondContact N-O 3.46Å; K174-V325 CarbonylContact O-C 3.56Å; K174-V325 WeakPolarHBondContact O-CA 3.42Å; K174-K326 PolarHBondContact O-N 3.03Å
175S90.1Very high91.3Very high56 Ų5662.3 Ų62.339%0.39232%0.32SS..EExtended strand (participates in β ladder)trans-87.7158174.3-43.30000110.2G177 D178S175-G177 PolarHBondContact O-N 2.9Å; S175-D178 WeakPolarHBondContact CA-OD2 3.41Å; S175-D178 WeakPolarHBondContact CB-OD2 3.41Å; S175-D178 PolarHBondContact N-OD2 3.06Å; S175-D178 VanDerWaalsContact O-CB 3.31Å; S175-D178 WeakPolarHBondContact O-CB 3.39Å; S175-D178 PolarHBondContact O-N 2.88Å; S175-D178 PolarHBondContact OG-OD2 2.87Å
176W87.3Confident91.3Very high79 Ų7960.6 Ų60.630%0.29931%0.312SS..THydrogen-bonded Turntrans-55.1135.3167.7-173.298.4000110.3D178 L278 T279 K326 R328 E359 E360W176-D178 VanDerWaalsContact C-N 3.31Å; W176-D178 PolarHBondContact O-N 2.79Å; W176-L278 CarbonylContact C-O 3.56Å; W176-L278 WeakPolarHBondContact CA-O 3.26Å; W176-T279 HydrophobicContact CZ2-CG2 4.44Å; W176-K326 WeakPolarHBondContact CB-O 3.44Å; W176-K326 PolarHBondContact N-O 3.32Å; W176-K326 VanDerWaalsContact N-O 3.14Å; W176-R328 HydrophobicContact CB-CB 4.26Å; W176-R328 HydrophobicContact CD2-CB 4.26Å; W176-R328 HydrophobicContact CD2-CG 4.3Å; W176-R328 HydrophobicContact CE3-CG 4.17Å; W176-R328 HydrophobicContact CG-CB 4.09Å; W176-E359 PolarHBondContact NE1-O 2.75Å; W176-E360 HydrophobicContact CZ2-CG 3.9Å
177G85.6Confident91.2Very high39 Ų3956.8 Ų56.840%0.40229%0.288SS..THydrogen-bonded Turntrans83.6-11.4-17800000115.8S175 L278S175-G177 PolarHBondContact O-N 2.9Å; G177-L278 PolarHBondContact N-O 2.77Å
178D91Very high90.9Very high62 Ų6251.7 Ų51.733%0.33226%0.261SS..  trans-63.9172.2174.4-77.6-18.5000111.9K174 S175 W176 K277 L278K174-D178 HydrophobicContact CB-CB 4.2Å; K174-D178 HydrophobicContact CD-CB 4.23Å; S175-D178 WeakPolarHBondContact CA-OD2 3.41Å; S175-D178 WeakPolarHBondContact CB-OD2 3.41Å; S175-D178 PolarHBondContact N-OD2 3.06Å; S175-D178 VanDerWaalsContact O-CB 3.31Å; S175-D178 WeakPolarHBondContact O-CB 3.39Å; S175-D178 PolarHBondContact O-N 2.88Å; S175-D178 PolarHBondContact OG-OD2 2.87Å; W176-D178 VanDerWaalsContact C-N 3.31Å; W176-D178 PolarHBondContact O-N 2.79Å; D178-K277 PolarHBondContact O-N 2.94Å; D178-L278 HydrophobicContact CB-CD1 4.28Å; D178-L278 WeakPolarHBondContact O-CB 3.38Å; D178-L278 WeakPolarHBondContact O-CG 3.23Å; D178-L278 PolarHBondContact O-N 2.89Å
179H91.1Very high90Very high105 Ų10544 Ų4449%0.48624%0.238SC..  trans-115.7159.3165.566.8-84000111.5K174 I275 D276K174-H179 PolarHBondContact NZ-O 3.1Å; H179-I275 WeakPolarHBondContact CA-O 3.44Å; H179-D276 WeakPolarHBondContact CB-OD1 3.5Å
180I93.1Very high88.6Confident11 Ų1140.2 Ų40.26%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-142.9150.2173.6-167.7163.6000111.2P172 K174 F182 R274 I275 L278 L323P172-I180 HydrophobicContact CB-CD1 3.61Å; P172-I180 HydrophobicContact CG-CD1 3.45Å; P172-I180 VanDerWaalsContact CG-CD1 3.45Å; K174-I180 HydrophobicContact CG-CD1 4.22Å; I180-F182 HydrophobicContact CD1-CD1 4.17Å; I180-F182 HydrophobicContact CD1-CE1 3.56Å; I180-F182 HydrophobicContact CD1-CZ 3.99Å; I180-F182 HydrophobicContact CG1-CD1 4.4Å; I180-F182 HydrophobicContact CG1-CE1 4.18Å; I180-F182 HydrophobicContact CG1-CZ 4.5Å; I180-F182 HydrophobicContact CG2-CE2 4.24Å; I180-F182 HydrophobicContact CG2-CZ 4.17Å; I180-R274 WeakPolarHBondContact O-CA 3.19Å; I180-I275 HydrophobicContact CG2-CB 3.97Å; I180-I275 HydrophobicContact CG2-CG1 4.46Å; I180-I275 PolarHBondContact N-O 3.43Å; I180-I275 PolarHBondContact O-N 3.31Å; I180-L278 HydrophobicContact CB-CD1 4.17Å; I180-L278 HydrophobicContact CG2-CD1 3.93Å; I180-L278 HydrophobicContact CG2-CD2 4.05Å; I180-L278 HydrophobicContact CG2-CG 4.41Å; I180-L323 HydrophobicContact CD1-CD1 3.93Å; I180-L323 HydrophobicContact CG2-CD2 4.42Å
181I92Very high86.7Confident84 Ų8446 Ų4643%0.43126%0.263SS..EExtended strand (participates in β ladder)trans-124.7122.6170.2-57.6171000106Q272 L273 R274I181-Q272 HydrophobicContact CG2-CB 4.1Å; I181-L273 WeakPolarHBondContact CA-O 3.42Å; I181-R274 HydrophobicContact CG1-CB 4.21Å; I181-R274 HydrophobicContact CG1-CG 4.07Å
182F93.3Very high85.1Confident2 Ų246.9 Ų46.91%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-93.4126.1170.3-59.5-63.4000109.1P172 I180 W202 Q272 L273 I275 Y286 F321 L323P172-F182 HydrophobicContact CG-CE1 3.99Å; I180-F182 HydrophobicContact CD1-CD1 4.17Å; I180-F182 HydrophobicContact CD1-CE1 3.56Å; I180-F182 HydrophobicContact CD1-CZ 3.99Å; I180-F182 HydrophobicContact CG1-CD1 4.4Å; I180-F182 HydrophobicContact CG1-CE1 4.18Å; I180-F182 HydrophobicContact CG1-CZ 4.5Å; I180-F182 HydrophobicContact CG2-CE2 4.24Å; I180-F182 HydrophobicContact CG2-CZ 4.17Å; F182-W202 HydrophobicContact CB-CH2 3.47Å; F182-W202 VanDerWaalsContact CB-CH2 3.47Å; F182-W202 HydrophobicContact CB-CZ3 3.7Å; F182-W202 HydrophobicContact CD2-CZ3 4.45Å; F182-W202 HydrophobicContact CG-CZ3 4.37Å; F182-Q272 CarbonylContact O-C 3.58Å; F182-Q272 VanDerWaalsContact O-CA 3.24Å; F182-Q272 WeakPolarHBondContact O-CA 3.29Å; F182-L273 HydrophobicContact CB-CB 4.33Å; F182-L273 HydrophobicContact CD2-CB 4.26Å; F182-L273 HydrophobicContact CD2-CD2 4Å; F182-L273 HydrophobicContact CD2-CG 4.14Å; F182-L273 PolarHBondContact N-O 3.15Å; F182-L273 PolarHBondContact O-N 3.03Å; F182-I275 HydrophobicContact CD2-CD1 4.41Å; F182-I275 HydrophobicContact CE2-CD1 3.76Å; F182-I275 HydrophobicContact CE2-CG1 4.43Å; F182-Y286 HydrophobicContact CE2-CD1 4.17Å; F182-Y286 AromaticContact CE2-CD2 3.84Å; F182-Y286 HydrophobicContact CE2-CD2 3.84Å; F182-Y286 HydrophobicContact CE2-CE1 4.44Å; F182-Y286 HydrophobicContact CE2-CE2 4.13Å; F182-Y286 AromaticContact CE2-CG 3.87Å; F182-Y286 HydrophobicContact CE2-CG 3.87Å; F182-Y286 AromaticContact CZ-CD2 3.81Å; F182-Y286 HydrophobicContact CZ-CD2 3.81Å; F182-Y286 HydrophobicContact CZ-CE2 4.16Å; F182-Y286 HydrophobicContact CZ-CG 4.24Å; F182-F321 HydrophobicContact CB-CD1 4.47Å; F182-F321 HydrophobicContact CB-CD2 4.04Å; F182-F321 HydrophobicContact CB-CE1 4.22Å; F182-F321 HydrophobicContact CB-CE2 3.78Å; F182-F321 HydrophobicContact CB-CG 4.36Å; F182-F321 HydrophobicContact CB-CZ 3.86Å; F182-F321 HydrophobicContact CD1-CB 3.69Å; F182-F321 AromaticContact CD1-CD1 3.52Å; F182-F321 HydrophobicContact CD1-CD1 3.52Å; F182-F321 AromaticContact CD1-CD2 3.91Å; F182-F321 HydrophobicContact CD1-CD2 3.91Å; F182-F321 HydrophobicContact CD1-CE1 4.02Å; F182-F321 HydrophobicContact CD1-CE2 4.38Å; F182-F321 AromaticContact CD1-CG 3.44Å; F182-F321 HydrophobicContact CD1-CG 3.44Å; F182-F321 VanDerWaalsContact CD1-CG 3.44Å; F182-F321 HydrophobicContact CD1-CZ 4.41Å; F182-F321 HydrophobicContact CE1-CB 3.6Å; F182-F321 HydrophobicContact CE1-CD1 4.16Å; F182-F321 AromaticContact CE1-CG 3.91Å; F182-F321 HydrophobicContact CE1-CG 3.91Å; F182-F321 HydrophobicContact CG-CD1 4.37Å; F182-F321 HydrophobicContact CG-CD2 4.1Å; F182-F321 HydrophobicContact CG-CE2 4.34Å; F182-F321 HydrophobicContact CG-CG 4.1Å; F182-F321 HydrophobicContact CZ-CB 4.38Å; F182-L323 HydrophobicContact CZ-CB 4.03Å; F182-L323 HydrophobicContact CZ-CD2 4.02Å; F182-L323 HydrophobicContact CZ-CG 4.45Å
183D91.6Very high83.6Confident27 Ų2746.3 Ų46.314%0.14426%0.264CS..EExtended strand (participates in β ladder)trans-102.9117.1-176.917620.3000111.8T163 D185 R319 F321T163-D183 WeakPolarHBondContact CB-OD2 3.28Å; T163-D183 WeakPolarHBondContact CG2-OD2 3.5Å; T163-D183 PolarHBondContact OG1-OD2 2.81Å; D183-D185 VanDerWaalsContact OD1-CB 3.25Å; D183-D185 WeakPolarHBondContact OD1-CB 3.36Å; D183-D185 PolarHBondContact OD1-N 2.8Å; D183-R319 WeakPolarHBondContact O-CD 3.47Å; D183-R319 PolarHBondContact O-NH1 2.93Å; D183-F321 WeakPolarHBondContact O-CZ 3.32Å
184C92.2Very high82.5Confident0 Ų043.2 Ų43.20%025%0.246CC..  trans-122.622.8171-70.60000113.1F161 A186 Y200 W202 S271 C288 F321F161-C184 HydrophobicContact CE1-CB 4.3Å; C184-A186 PolarHBondContact O-N 2.92Å; C184-Y200 VanDerWaalsContact O-CE1 3.25Å; C184-Y200 WeakPolarHBondContact O-CE1 3.16Å; C184-W202 HydrophobicContact CB-CH2 4.03Å; C184-W202 HydrophobicContact CB-CZ2 3.73Å; C184-W202 WeakPolarHBondContact SG-CH2 3.34Å; C184-S271 CarbonylContact C-O 3.55Å; C184-S271 WeakPolarHBondContact CA-O 3.36Å; C184-S271 WeakPolarHBondContact CB-O 3.29Å; C184-S271 PolarHBondContact N-O 3Å; C184-C288 HydrophobicContact CB-CB 3.69Å; C184-C288 WeakPolarHBondContact CB-SG 3.33Å; C184-C288 WeakPolarHBondContact SG-CB 3.5Å; C184-C288 CovalentContact SG-SG 2.01Å; C184-C288 PolarHBondContact SG-SG 3.08Å; C184-F321 VanDerWaalsContact SG-CE2 3.53Å
185D90.1Very high81.5Confident5 Ų541.2 Ų41.23%0.02724%0.238CC..  trans-50.2134.4172.7-71.7-42.5000111.2R113 F161 L162 D183 S271 Q272R113-D185 IonicContact CZ-OD2 3.44Å; R113-D185 VanDerWaalsContact CZ-OD2 3.27Å; R113-D185 IonicContact NE-OD2 2.85Å; R113-D185 PolarHBondContact NE-OD2 2.93Å; R113-D185 IonicContact NH2-OD1 3.02Å; R113-D185 PolarHBondContact NH2-OD1 2.81Å; R113-D185 IonicContact NH2-OD2 3.19Å; R113-D185 PolarHBondContact NH2-OD2 3Å; F161-D185 CarbonylContact C-O 3.6Å; F161-D185 WeakPolarHBondContact CA-O 3.28Å; L162-D185 HydrophobicContact CB-CB 3.94Å; L162-D185 HydrophobicContact CD2-CB 4.04Å; L162-D185 PolarHBondContact N-O 2.83Å; D183-D185 VanDerWaalsContact OD1-CB 3.25Å; D183-D185 WeakPolarHBondContact OD1-CB 3.36Å; D183-D185 PolarHBondContact OD1-N 2.8Å; D185-S271 PolarHBondContact N-O 3.03Å; D185-S271 WeakPolarHBondContact OD1-CB 3.29Å; D185-S271 PolarHBondContact OD1-OG 3.29Å; D185-Q272 PolarHBondContact OD2-NE2 3.14Å
186A90.1Very high80.7Confident3 Ų344.1 Ų44.13%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-137.8157.6179.400000111.2P159 C160 C184 L198 Y200 V290 I317P159-A186 HydrophobicContact CB-CB 4.46Å; C160-A186 CarbonylContact O-C 3.55Å; C160-A186 WeakPolarHBondContact O-CA 3.42Å; C160-A186 WeakPolarHBondContact O-CB 3.28Å; C184-A186 PolarHBondContact O-N 2.92Å; A186-L198 HydrophobicContact CB-CD1 4.03Å; A186-L198 WeakPolarHBondContact O-CD1 3.07Å; A186-Y200 HydrophobicContact CB-CE1 4.33Å; A186-Y200 PolarHBondContact N-OH 3.27Å; A186-Y200 PolarHBondContact O-OH 3.2Å; A186-V290 HydrophobicContact CB-CG1 4.03Å; A186-V290 HydrophobicContact CB-CG2 4.28Å; A186-I317 HydrophobicContact CB-CD1 4.09Å
187V88.9Confident80.4Confident0 Ų042 Ų420%024%0.243CC..EExtended strand (participates in β ladder)trans-129.9162.7172.7-58.50000110.3L65 R132 P159 C160 L162 L195L65-V187 HydrophobicContact CB-CG2 4.3Å; L65-V187 HydrophobicContact CD1-CG2 4.24Å; R132-V187 HydrophobicContact CB-CG2 3.4Å; R132-V187 VanDerWaalsContact CB-CG2 3.4Å; R132-V187 HydrophobicContact CG-CG2 4.17Å; P159-V187 CarbonylContact C-O 3.52Å; P159-V187 WeakPolarHBondContact CA-O 3.03Å; C160-V187 PolarHBondContact N-O 2.92Å; C160-V187 PolarHBondContact O-N 2.88Å; L162-V187 HydrophobicContact CD1-CG1 4.17Å; V187-L195 HydrophobicContact CB-CD2 4.27Å; V187-L195 HydrophobicContact CG1-CD2 4.26Å
188M82.5Confident80.4Confident22 Ų2240.7 Ų40.711%0.10823%0.227CC..  trans-141.8163.8178.259.4178.5-70.800110.1G190 N197 L198 T292M188-G190 VanDerWaalsContact C-N 3.28Å; M188-G190 PolarHBondContact O-N 3.17Å; M188-N197 HydrophobicContact CE-CB 4.22Å; M188-N197 HydrophobicContact SD-CB 3.65Å; M188-L198 HydrophobicContact CB-CD2 4.39Å; M188-L198 HydrophobicContact CG-CD2 4.2Å; M188-L198 HydrophobicContact CG-CG 4.47Å; M188-L198 HydrophobicContact SD-CD2 3.72Å; M188-L198 HydrophobicContact SD-CG 4.14Å; M188-T292 HydrophobicContact CE-CG2 4.13Å; M188-T292 HydrophobicContact SD-CG2 4.06Å
189T71Confident80.1Confident55 Ų5540.8 Ų40.834%0.33723%0.227SC..  trans-7777.7171.663.40000111.2L65 T156L65-T189 HydrophobicContact CB-CG2 3.94Å; L65-T189 HydrophobicContact CD2-CG2 4.07Å; L65-T189 HydrophobicContact CG-CG2 4.42Å; T156-T189 WeakPolarHBondContact O-CG2 3.41Å; T156-T189 PolarHBondContact O-OG1 3.47Å
190G62.8Low80.1Confident20 Ų2036.9 Ų36.921%0.20621%0.208CC..  trans-81.4134.816200000110.3M188 D192 G193M188-G190 VanDerWaalsContact C-N 3.28Å; M188-G190 PolarHBondContact O-N 3.17Å; G190-D192 PolarHBondContact O-N 3.41Å; G190-G193 PolarHBondContact O-N 3.01Å; G190-G193 VanDerWaalsContact O-N 3.12Å
191T53.5Low80Confident160 Ų16039.1 Ų39.198%0.98222%0.218SC*.SBendtrans-67.8-22.7171.646.10000112.6
192D60.5Low79.9Confident96 Ų9635.1 Ų35.151%0.51320%0.198SC..SBendtrans-94.4-7.8172.159-5.6000112.9L62 G190 S194L62-D192 WeakPolarHBondContact CD2-O 3.34Å; G190-D192 PolarHBondContact O-N 3.41Å; D192-S194 PolarHBondContact O-N 2.88Å; D192-S194 PolarHBondContact OD1-N 3.47Å; D192-S194 WeakPolarHBondContact OD2-CB 3.24Å
193G61.5Low79.7Confident2 Ų236.6 Ų36.62%0.02121%0.205CC..  trans64.19.6-169.800000114.7L62 G63 G190 L195L62-G193 CarbonylContact C-O 3.56Å; L62-G193 VanDerWaalsContact CA-O 3.3Å; L62-G193 WeakPolarHBondContact CA-O 3.39Å; G63-G193 PolarHBondContact N-O 3.3Å; G63-G193 WeakPolarHBondContact O-CA 3.33Å; G190-G193 PolarHBondContact O-N 3.01Å; G190-G193 VanDerWaalsContact O-N 3.12Å; G193-L195 PolarHBondContact O-N 3.37Å
194S70.3Confident79.5Confident16 Ų1637.2 Ų37.211%0.11221%0.206CC..BIsolated β-bridgetrans-71.6123.9-173.7177.40000112D192 D196D192-S194 PolarHBondContact O-N 2.88Å; D192-S194 PolarHBondContact OD1-N 3.47Å; D192-S194 WeakPolarHBondContact OD2-CB 3.24Å; S194-D196 VanDerWaalsContact C-N 3.27Å; S194-D196 PolarHBondContact O-N 3.31Å; S194-D196 WeakPolarHBondContact OG-CB 3.39Å; S194-D196 PolarHBondContact OG-N 3.05Å; S194-D196 VanDerWaalsContact OG-N 3.14Å; S194-D196 PolarHBondContact OG-OD2 3.01Å
195L73.6Confident78.9Confident22 Ų2239.6 Ų39.612%0.11522%0.218CC..G310 helixtrans-80.7-2.1173.6-64.8-178.6000113.7R61 V187 G193 N197 L198R61-L195 HydrophobicContact CB-CB 4.37Å; R61-L195 HydrophobicContact CB-CD1 4.21Å; R61-L195 PolarHBondContact O-N 3.01Å; V187-L195 HydrophobicContact CB-CD2 4.27Å; V187-L195 HydrophobicContact CG1-CD2 4.26Å; G193-L195 PolarHBondContact O-N 3.37Å; L195-N197 PolarHBondContact O-N 3.42Å; L195-N197 VanDerWaalsContact O-N 3.08Å; L195-L198 HydrophobicContact CD2-CD1 3.87Å; L195-L198 PolarHBondContact O-N 3.33Å
196D73.6Confident77.6Confident116 Ų11640.7 Ų40.762%0.6223%0.227SC*.G310 helixtrans-62.3-17.9178.7-61-39.6000113.4S194 L198 R293S194-D196 VanDerWaalsContact C-N 3.27Å; S194-D196 PolarHBondContact O-N 3.31Å; S194-D196 WeakPolarHBondContact OG-CB 3.39Å; S194-D196 PolarHBondContact OG-N 3.05Å; S194-D196 VanDerWaalsContact OG-N 3.14Å; S194-D196 PolarHBondContact OG-OD2 3.01Å; D196-L198 VanDerWaalsContact C-N 3.3Å; D196-R293 PolarHBondContact O-NE 3.41Å
197N79.3Confident75.8Confident34 Ų3447.1 Ų47.118%0.18226%0.26CS..G310 helixtrans-77.7-10.8176-68.6-56.1000113.4M188 L195 T292 R293M188-N197 HydrophobicContact CE-CB 4.22Å; M188-N197 HydrophobicContact SD-CB 3.65Å; L195-N197 PolarHBondContact O-N 3.42Å; L195-N197 VanDerWaalsContact O-N 3.08Å; N197-T292 CarbonylContact O-C 3.39Å; N197-T292 WeakPolarHBondContact O-CA 3.39Å; N197-R293 PolarHBondContact O-N 2.79Å
198L85.6Confident73.7Confident12 Ų1250.9 Ų50.96%0.06328%0.284CS..EExtended strand (participates in β ladder)trans-90.1134.3177.7-60.9-177.6000111.6P159 A186 M188 L195 D196 Y200 V290 T292P159-L198 HydrophobicContact CB-CD2 3.95Å; A186-L198 HydrophobicContact CB-CD1 4.03Å; A186-L198 WeakPolarHBondContact O-CD1 3.07Å; M188-L198 HydrophobicContact CB-CD2 4.39Å; M188-L198 HydrophobicContact CG-CD2 4.2Å; M188-L198 HydrophobicContact CG-CG 4.47Å; M188-L198 HydrophobicContact SD-CD2 3.72Å; M188-L198 HydrophobicContact SD-CG 4.14Å; L195-L198 HydrophobicContact CD2-CD1 3.87Å; L195-L198 PolarHBondContact O-N 3.33Å; D196-L198 VanDerWaalsContact C-N 3.3Å; L198-Y200 HydrophobicContact CB-CE2 4.06Å; L198-Y200 WeakPolarHBondContact CD1-OH 3.36Å; L198-V290 HydrophobicContact CB-CG1 4.24Å; L198-V290 HydrophobicContact CD2-CG1 4.22Å; L198-T292 HydrophobicContact CD2-CG2 4.01Å
199I86.5Confident71.4Confident64 Ų6457.2 Ų57.233%0.32832%0.318SS..EExtended strand (participates in β ladder)trans-115.4119.9171.6-62.8170.5000107.8V290 R291 R293I199-V290 WeakPolarHBondContact O-CA 3.18Å; I199-R291 PolarHBondContact N-O 2.83Å; I199-R291 PolarHBondContact O-N 3.02Å; I199-R293 HydrophobicContact CD1-CG 3.59Å; I199-R293 HydrophobicContact CG1-CG 3.95Å
200Y90.1Very high69.6Low24 Ų2461.3 Ų61.39%0.09434%0.338CS..EExtended strand (participates in β ladder)trans-91.5141.9171-54.3-89.5000109.4C184 A186 L198 H269 E270 V290C184-Y200 VanDerWaalsContact O-CE1 3.25Å; C184-Y200 WeakPolarHBondContact O-CE1 3.16Å; A186-Y200 HydrophobicContact CB-CE1 4.33Å; A186-Y200 PolarHBondContact N-OH 3.27Å; A186-Y200 PolarHBondContact O-OH 3.2Å; L198-Y200 HydrophobicContact CB-CE2 4.06Å; L198-Y200 WeakPolarHBondContact CD1-OH 3.36Å; Y200-H269 PolarHBondContact O-ND1 2.78Å; Y200-E270 WeakPolarHBondContact CB-O 3.43Å; Y200-V290 HydrophobicContact CD1-CB 4.38Å; Y200-V290 HydrophobicContact CD1-CG1 4.01Å; Y200-V290 HydrophobicContact CD1-CG2 3.66Å; Y200-V290 HydrophobicContact CE1-CB 4.43Å; Y200-V290 HydrophobicContact CE1-CG1 3.77Å; Y200-V290 HydrophobicContact CE1-CG2 3.77Å
201Q90.4Very high68Low57 Ų5767.5 Ų67.527%0.26637%0.366SS..EExtended strand (participates in β ladder)trans-139.8124.6174.3179.3-177.4-6.200108.4C288 T289Q201-C288 CarbonylContact O-C 3.53Å; Q201-C288 WeakPolarHBondContact O-CA 3.44Å; Q201-T289 PolarHBondContact N-O 3.46Å; Q201-T289 PolarHBondContact O-N 3.17Å
202W90.5Very high67.1Low0 Ų065 Ų650%035%0.345CS..EExtended strand (participates in β ladder)trans-105146.1176.5-67.981.7000111.8F182 C184 L265 F268 E270 L273 Q287 C288 F321F182-W202 HydrophobicContact CB-CH2 3.47Å; F182-W202 VanDerWaalsContact CB-CH2 3.47Å; F182-W202 HydrophobicContact CB-CZ3 3.7Å; F182-W202 HydrophobicContact CD2-CZ3 4.45Å; F182-W202 HydrophobicContact CG-CZ3 4.37Å; C184-W202 HydrophobicContact CB-CH2 4.03Å; C184-W202 HydrophobicContact CB-CZ2 3.73Å; C184-W202 WeakPolarHBondContact SG-CH2 3.34Å; W202-L265 HydrophobicContact CB-CB 4.43Å; W202-L265 HydrophobicContact CB-CD2 4.2Å; W202-L265 CarbonylContact O-C 3.33Å; W202-F268 HydrophobicContact CB-CD1 4.43Å; W202-F268 AromaticContact CD1-CD1 3.47Å; W202-F268 VanDerWaalsContact CD1-CD1 3.47Å; W202-F268 AromaticContact CG-CD1 3.95Å; W202-F268 HydrophobicContact CG-CD1 3.95Å; W202-F268 AromaticContact NE1-CD1 3.84Å; W202-F268 AromaticContact NE1-CE1 3.94Å; W202-E270 PolarHBondContact NE1-O 2.8Å; W202-L273 HydrophobicContact CD2-CB 3.89Å; W202-L273 HydrophobicContact CD2-CD2 4.08Å; W202-L273 HydrophobicContact CE3-CB 3.92Å; W202-L273 HydrophobicContact CE3-CD2 3.67Å; W202-L273 HydrophobicContact CE3-CG 4.46Å; W202-L273 HydrophobicContact CH2-CB 3.79Å; W202-L273 HydrophobicContact CZ2-CB 3.75Å; W202-L273 HydrophobicContact CZ3-CB 3.87Å; W202-L273 HydrophobicContact CZ3-CD2 4.09Å; W202-Q287 CarbonylContact C-O 3.55Å; W202-Q287 WeakPolarHBondContact CA-O 3.47Å; W202-C288 HydrophobicContact CD2-CB 3.75Å; W202-C288 HydrophobicContact CE3-CB 3.72Å; W202-C288 HydrophobicContact CG-CB 4.45Å; W202-C288 HydrophobicContact CH2-CB 3.89Å; W202-C288 HydrophobicContact CZ2-CB 3.92Å; W202-C288 HydrophobicContact CZ3-CB 3.79Å; W202-F321 AromaticContact CH2-CE2 3.84Å; W202-F321 HydrophobicContact CH2-CE2 3.84Å; W202-F321 HydrophobicContact CZ3-CD2 4.11Å; W202-F321 AromaticContact CZ3-CE2 3.8Å; W202-F321 HydrophobicContact CZ3-CE2 3.8Å
203E88.7Confident65.8Low34 Ų3466.9 Ų66.916%0.15936%0.356CS..EExtended strand (participates in β ladder)trans-139.7152.9170.163.8173.8-110.300111.1I205 R237 Y286 Q287E203-I205 HydrophobicContact CG-CG1 4.41Å; E203-I205 WeakPolarHBondContact OE1-CD1 3.34Å; E203-I205 WeakPolarHBondContact OE1-CG1 3.17Å; E203-R237 VanDerWaalsContact CD-NH1 3.28Å; E203-R237 IonicContact OE1-CZ 3.82Å; E203-R237 IonicContact OE1-NE 2.77Å; E203-R237 IonicContact OE1-NH1 2.74Å; E203-R237 PolarHBondContact OE1-NH1 2.03Å; E203-R237 IonicContact OE1-NH2 3.21Å; E203-R237 PolarHBondContact OE1-NH2 2.91Å; E203-R237 IonicContact OE2-CZ 3.94Å; E203-R237 IonicContact OE2-NH1 2.8Å; E203-R237 PolarHBondContact OE2-NH1 2.81Å; E203-R237 IonicContact OE2-NH2 2.78Å; E203-Y286 WeakPolarHBondContact O-CA 3.36Å; E203-Q287 HydrophobicContact CG-CB 3.74Å; E203-Q287 HydrophobicContact CG-CG 4.46Å; E203-Q287 PolarHBondContact N-O 3.03Å; E203-Q287 PolarHBondContact O-N 3.4Å; E203-Q287 PolarHBondContact OE1-OE1 2.79Å
204F86.9Confident64.2Low40 Ų4073.3 Ų73.318%0.17539%0.39CS..EExtended strand (participates in β ladder)trans-110.5122170.5176.6-109000109.4V242 L265 Y286F204-V242 HydrophobicContact CD1-CG2 3.64Å; F204-V242 HydrophobicContact CE1-CG2 3.44Å; F204-V242 VanDerWaalsContact CE1-CG2 3.44Å; F204-V242 HydrophobicContact CG-CG2 4.35Å; F204-V242 HydrophobicContact CZ-CG2 4.02Å; F204-L265 HydrophobicContact CB-CD1 3.47Å; F204-L265 VanDerWaalsContact CB-CD1 3.47Å; F204-Y286 HydrophobicContact CB-CD1 4.45Å; F204-Y286 HydrophobicContact CB-CE1 4.43Å; F204-Y286 AromaticContact CD2-CD1 3.93Å; F204-Y286 HydrophobicContact CD2-CD1 3.93Å; F204-Y286 HydrophobicContact CD2-CD2 4.09Å; F204-Y286 AromaticContact CD2-CE1 3.59Å; F204-Y286 HydrophobicContact CD2-CE1 3.59Å; F204-Y286 AromaticContact CD2-CE2 3.76Å; F204-Y286 HydrophobicContact CD2-CE2 3.76Å; F204-Y286 HydrophobicContact CD2-CG 4.17Å; F204-Y286 AromaticContact CD2-CZ 3.5Å; F204-Y286 VanDerWaalsContact CD2-CZ 3.5Å; F204-Y286 HydrophobicContact CE2-CD2 4.37Å; F204-Y286 HydrophobicContact CE2-CE1 4.22Å; F204-Y286 AromaticContact CE2-CE2 3.72Å; F204-Y286 HydrophobicContact CE2-CE2 3.72Å; F204-Y286 AromaticContact CE2-CZ 3.64Å; F204-Y286 HydrophobicContact CG-CE1 4.39Å
205I81Confident62.5Low49 Ų4979.4 Ų79.425%0.25142%0.421SS..EExtended strand (participates in β ladder)trans-99.491.1178.4-56.1170.1000106.1E203 N207 E285 Q287E203-I205 HydrophobicContact CG-CG1 4.41Å; E203-I205 WeakPolarHBondContact OE1-CD1 3.34Å; E203-I205 WeakPolarHBondContact OE1-CG1 3.17Å; I205-N207 PolarHBondContact O-N 3.33Å; I205-E285 HydrophobicContact CB-CB 4.13Å; I205-E285 HydrophobicContact CB-CG 4.5Å; I205-E285 HydrophobicContact CD1-CG 4.39Å; I205-E285 PolarHBondContact N-O 3.25Å; I205-E285 PolarHBondContact O-N 2.74Å; I205-Q287 HydrophobicContact CD1-CB 3.98Å
206S62.1Low60.4Low29 Ų2986 Ų8620%0.20346%0.456CS..  trans-70.2127.4175.163.40000110T208S206-T208 PolarHBondContact O-N 2.94Å; S206-T208 PolarHBondContact OG-OG1 2.89Å
207N52.9Low58.4Low137 Ų13788.9 Ų88.973%0.73347%0.471SS*.  trans-7731.9-177.7-158.811.8000113.7I205 N209I205-N207 PolarHBondContact O-N 3.33Å; N207-N209 VanDerWaalsContact C-N 3.27Å; N207-N209 PolarHBondContact O-N 3.08Å; N207-N209 VanDerWaalsContact O-N 3.14Å
208T45.5Very low56Low80 Ų8099 Ų9949%0.49151%0.506SS..  trans-88.953-17652.90000112.1S206 N210S206-T208 PolarHBondContact O-N 2.94Å; S206-T208 PolarHBondContact OG-OG1 2.89Å; T208-N210 PolarHBondContact O-N 2.81Å
209N32.4Very low53.3Low154 Ų154103.2 Ų103.282%0.82454%0.537SS*.  trans-75.572.6167-91.3-25.3000110.3N207N207-N209 VanDerWaalsContact C-N 3.27Å; N207-N209 PolarHBondContact O-N 3.08Å; N207-N209 VanDerWaalsContact O-N 3.14Å
210N34.9Very low50.7Low141 Ų141106.5 Ų106.575%0.75456%0.56SS**SBendtrans-131.598.2171.3-88.1-30.5000110.4T208 I212T208-N210 PolarHBondContact O-N 2.81Å; N210-I212 PolarHBondContact O-N 2.95Å
211N28.2Very low47.8Very low150 Ų150114.3 Ų114.380%0.80259%0.594SS**  trans39.160.8153.9-66.4-17.7000118.2N213N211-N213 PolarHBondContact O-N 2.84Å
212I34.4Very low45Very low107 Ų107120.6 Ų120.655%0.54962%0.624SS.*  trans-9092.8150.5-66.2172.8000107.2N210 N214N210-I212 PolarHBondContact O-N 2.95Å; I212-N214 PolarHBondContact O-N 2.89Å
213N32.5Very low42.2Very low137 Ų137126 Ų12673%0.73366%0.657SS**  trans-57.1125.6167.6-79-30.2000108.7N211 N215N211-N213 PolarHBondContact O-N 2.84Å; N213-N215 PolarHBondContact O-N 2.95Å
214N28.5Very low39.6Very low137 Ų137130.1 Ų130.173%0.73369%0.689SS**SBendtrans-61.992.2177.4-74.3-38.5000110.8I212I212-N214 PolarHBondContact O-N 2.89Å
215N33.9Very low36.9Very low144 Ų144135.6 Ų135.677%0.7772%0.72SS**  trans-172.897.7161.3-86.7-35.2000107.7N213N213-N215 PolarHBondContact O-N 2.95Å
216N31.1Very low34.6Very low160 Ų160139.3 Ų139.386%0.85675%0.751SS**  trans154.60.1150.1-77.9-21.7000117.3R218N216-R218 PolarHBondContact O-N 3.1Å; N216-R218 VanDerWaalsContact O-N 3.1Å
217L31.5Very low33.2Very low176 Ų176140.9 Ų140.992%0.92177%0.771SS**  trans-81.888.9167.5-92.181.9000111.4
218R27.6Very low32.2Very low246 Ų246139.8 Ų139.893%0.92877%0.774SS**  trans-123.356.3174-159.4-171.2-166.1-157.76.2112.6N216N216-R218 PolarHBondContact O-N 3.1Å; N216-R218 VanDerWaalsContact O-N 3.1Å
219S28.8Very low31.6Very low102 Ų102142.9 Ų142.971%0.71379%0.788SS**  trans-171.8130.1163.1-160.80000105.8
220V32.6Very low31.7Very low133 Ų133141.2 Ų141.281%0.80678%0.783SS**  cis-135.1146.929.9172.40000110.4
221K29.6Very low31.4Very low187 Ų187139.4 Ų139.481%0.81378%0.782SS**  trans-90.7136.1174.3-79.5179.8172.3-179.30112.4
222Q32Very low31.4Very low189 Ų189139.9 Ų139.988%0.88378%0.784SS**  trans-169.4101.6144-103.3170-3.300104.9
223V30.4Very low31.2Very low115 Ų115140.7 Ų140.770%0.69779%0.794SS**  52.5100.560.4-168.40000109.6
224S33.9Very low30.9Very low119 Ų119141.5 Ų141.583%0.83280%0.797SS**  -150.9166.282.841.50000115.9
225N31.3Very low30.9Very low156 Ų156141.1 Ų141.183%0.83479%0.793SS**  trans-83.9137.9-163.8-58.2-28.8000115.7
226S33.4Very low30.6Very low127 Ų127141.6 Ų141.689%0.88879%0.791SS**  171.7145.3123.857.30000108.5
227G31.9Very low30.6Very low62 Ų62141.3 Ų141.364%0.63978%0.777SS**  cis162.7119.1-11.300000108.3
228S31.9Very low30.5Very low114 Ų114137.6 Ų137.680%0.79776%0.755SS**  trans54.7127.4178.739.60000116.1
229D33.2Very low30.6Very low145 Ų145134 Ų13478%0.77574%0.742SS**  cis-161.7152.837.8-101.5-31.9000114.7
230V34.9Very low30.7Very low119 Ų119133.2 Ų133.272%0.72173%0.729SS**  trans51.6103.5140-173.20000120.2
231S27.3Very low30.6Very low103 Ų103129.6 Ų129.672%0.7271%0.705SS**  trans58.791.3137.8-54.20000120.2
232N28.8Very low30.7Very low159 Ų159122 Ų12285%0.8567%0.674SS**  -146.7155.7128.2-100.8-36000110.5I234N232-I234 PolarHBondContact O-N 3.13Å
233T29.6Very low30.8Very low124 Ų124120 Ų12076%0.76166%0.659SS**  trans-53.4121.5-168.641.60000113.6I235T233-I235 VanDerWaalsContact C-N 3.32Å; T233-I235 PolarHBondContact O-N 3.38Å
234I27.1Very low30.9Very low154 Ų154118 Ų11879%0.7965%0.647SS**  trans-72.886.4175.3-56174.9000109.1N232 H236N232-I234 PolarHBondContact O-N 3.13Å; I234-H236 PolarHBondContact O-N 3.03Å
235I28.7Very low30.9Very low129 Ų129113.7 Ų113.766%0.66262%0.616SS**  trans-69.1116.8157.9-61.5178.2000106.2T233 R237T233-I235 VanDerWaalsContact C-N 3.32Å; T233-I235 PolarHBondContact O-N 3.38Å; I235-R237 HydrophobicContact CG2-CG 4.27Å; I235-R237 PolarHBondContact O-N 3.03Å
236H26.4Very low30.8Very low154 Ų154109.6 Ų109.671%0.71360%0.599SS**  trans-75.276.1-178.6-14439.4000109.6I234 Q238I234-H236 PolarHBondContact O-N 3.03Å; H236-Q238 PolarHBondContact O-N 3.29Å; H236-Q238 VanDerWaalsContact O-N 3.08Å
237R32.3Very low30.8Very low154 Ų154105.9 Ų105.958%0.58157%0.572SS**  trans-61.9106-177.7-76.5177.6163.5-170.2-11.9110.6E203 I235 R239E203-R237 VanDerWaalsContact CD-NH1 3.28Å; E203-R237 IonicContact OE1-CZ 3.82Å; E203-R237 IonicContact OE1-NE 2.77Å; E203-R237 IonicContact OE1-NH1 2.74Å; E203-R237 PolarHBondContact OE1-NH1 2.03Å; E203-R237 IonicContact OE1-NH2 3.21Å; E203-R237 PolarHBondContact OE1-NH2 2.91Å; E203-R237 IonicContact OE2-CZ 3.94Å; E203-R237 IonicContact OE2-NH1 2.8Å; E203-R237 PolarHBondContact OE2-NH1 2.81Å; E203-R237 IonicContact OE2-NH2 2.78Å; I235-R237 HydrophobicContact CG2-CG 4.27Å; I235-R237 PolarHBondContact O-N 3.03Å; R237-R239 PolarHBondContact O-N 2.64Å
238Q28.2Very low30.6Very low98 Ų98108.3 Ų108.346%0.45857%0.573SS.*  trans-74.7116.2170.6-68.7-175.9-10.800109.6H236 L240H236-Q238 PolarHBondContact O-N 3.29Å; H236-Q238 VanDerWaalsContact O-N 3.08Å; Q238-L240 VanDerWaalsContact C-N 3.27Å; Q238-L240 PolarHBondContact O-N 3.14Å
239R29.8Very low30.5Very low171 Ų171105.7 Ų105.765%0.64556%0.555SS**  trans-65.984.7166.5-100.9-173.9169.4124.7-13.5109.3R237 L241 D264 S266R237-R239 PolarHBondContact O-N 2.64Å; R239-L241 WeakPolarHBondContact O-CD1 3.46Å; R239-L241 PolarHBondContact O-N 2.76Å; R239-D264 IonicContact CZ-OD2 3.63Å; R239-D264 IonicContact NE-OD1 2.73Å; R239-D264 PolarHBondContact NE-OD1 3.19Å; R239-D264 IonicContact NE-OD2 2.87Å; R239-D264 PolarHBondContact NE-OD2 2.82Å; R239-D264 IonicContact NH2-OD1 3.36Å; R239-D264 IonicContact NH2-OD2 3.78Å; R239-D264 PolarHBondContact NH2-OD2 2.76Å; R239-S266 PolarHBondContact NH2-OG 2.95Å
240L30.9Very low30.2Very low86 Ų86105.4 Ų105.445%0.4556%0.559SS.*  trans-87.587.9169.3-108.6151.1000108.7Q238 V242Q238-L240 VanDerWaalsContact C-N 3.27Å; Q238-L240 PolarHBondContact O-N 3.14Å; L240-V242 PolarHBondContact O-N 3.48Å
241L30.1Very low29.9Very low57 Ų57105.6 Ų105.630%0.29856%0.56SS.*PPolyproline II helixtrans-64.6130.6-178.8-44.888.6000110.6R239 K262 D264R239-L241 WeakPolarHBondContact O-CD1 3.46Å; R239-L241 PolarHBondContact O-N 2.76Å; L241-K262 HydrophobicContact CB-CB 3.7Å; L241-K262 HydrophobicContact CB-CD 3.75Å; L241-K262 HydrophobicContact CB-CG 3.86Å; L241-K262 HydrophobicContact CD1-CD 4.04Å; L241-K262 HydrophobicContact CD2-CB 3.96Å; L241-K262 HydrophobicContact CD2-CD 4.49Å; L241-K262 HydrophobicContact CG-CB 4.39Å; L241-K262 HydrophobicContact CG-CD 4.31Å; L241-K262 WeakPolarHBondContact O-CE 3.45Å; L241-D264 HydrophobicContact CD2-CB 3.94Å
242V32.7Very low29.7Very low27 Ų27105.4 Ų105.416%0.16456%0.559CS.*EExtended strand (participates in β ladder)trans-81.4150.6176.4-176.20000109.3F204 L240 F263F204-V242 HydrophobicContact CD1-CG2 3.64Å; F204-V242 HydrophobicContact CE1-CG2 3.44Å; F204-V242 VanDerWaalsContact CE1-CG2 3.44Å; F204-V242 HydrophobicContact CG-CG2 4.35Å; F204-V242 HydrophobicContact CZ-CG2 4.02Å; L240-V242 PolarHBondContact O-N 3.48Å; V242-F263 PolarHBondContact O-N 3.37Å
243R34.3Very low29.8Very low147 Ų147106.3 Ų106.356%0.55556%0.558SS**EExtended strand (participates in β ladder)trans-79.8141.1177.1-136176.7-170.1-178.42.4109P245 N260R243-P245 WeakPolarHBondContact O-CD 3.14Å; R243-N260 PolarHBondContact NH2-OD1 3.47Å; R243-N260 VanDerWaalsContact NH2-OD1 3.14Å
244T32.4Very low29.7Very low73 Ų73108 Ų10845%0.44856%0.562SS.*PPolyproline II helixtrans-65.6130.1-166.246.30000114.7N261 F263T244-N261 WeakPolarHBondContact CG2-O 3.41Å; T244-N261 PolarHBondContact OG1-O 3.45Å; T244-F263 HydrophobicContact CG2-CB 3.83Å; T244-F263 HydrophobicContact CG2-CD2 4.14Å; T244-F263 HydrophobicContact CG2-CG 4.46Å
245P34Very low29.8Very low29 Ų29107.9 Ų107.919%0.18856%0.563CS.*PPolyproline II helixtrans-77.7159.6139.835.1-31.6000109.9R243 V247 I275 D276 H282R243-P245 WeakPolarHBondContact O-CD 3.14Å; P245-V247 PolarHBondContact O-N 3.1Å; P245-I275 HydrophobicContact CB-CG2 4.49Å; P245-I275 HydrophobicContact CG-CG2 3.81Å; P245-D276 VanDerWaalsContact CB-O 3.23Å; P245-D276 WeakPolarHBondContact CB-O 3.32Å; P245-H282 WeakPolarHBondContact CD-NE2 3.28Å; P245-H282 VanDerWaalsContact CG-NE2 3.35Å; P245-H282 WeakPolarHBondContact CG-NE2 3.35Å
246S29.1Very low29.7Very low69 Ų69113.1 Ų113.148%0.48358%0.576SS.*  trans-72.298.4179.254.80000111.6V248S246-V248 PolarHBondContact O-N 3.44Å
247V32.6Very low29.8Very low50 Ų50112 Ų11230%0.30358%0.575SS.*  trans-71.4111.9164.4-1790000108P245 S249 F263P245-V247 PolarHBondContact O-N 3.1Å; V247-S249 PolarHBondContact O-N 3.11Å; V247-F263 HydrophobicContact CG2-CE2 4.27Å; V247-F263 HydrophobicContact CG2-CZ 4.35Å
248V29.1Very low29.5Very low112 Ų112110.8 Ų110.868%0.67958%0.58SS**  trans-7875.4169.8-174.80000108.5S246 T250S246-V248 PolarHBondContact O-N 3.44Å; V248-T250 PolarHBondContact O-N 3.3Å
249S29Very low29.5Very low59 Ų59111 Ų11141%0.41359%0.588SS.*  trans-68.9121.1158.9-670000107.4V247 V251V247-S249 PolarHBondContact O-N 3.11Å; S249-V251 PolarHBondContact O-N 3.47Å
250T26.3Very low29.4Very low139 Ų139108.6 Ų108.685%0.85359%0.588SS**  trans-73.368.4171.947.80000110.4V248V248-T250 PolarHBondContact O-N 3.3Å
251V29.9Very low29.4Very low123 Ų123110.2 Ų110.275%0.74560%0.597SS**  trans-126.6104.5167.2-176.80000106.9S249 H253S249-V251 PolarHBondContact O-N 3.47Å; V251-H253 PolarHBondContact O-N 3.01Å
252S23.5Very low29.8Very low99 Ų99112.7 Ų112.769%0.69261%0.605SS**  trans-60.9113.9169.9510000109.8
253H30Very low30.5Very low179 Ų179114.6 Ų114.683%0.82961%0.612SS**  -171.2143.2129-93-51.7000112.3V251 N255V251-H253 PolarHBondContact O-N 3.01Å; H253-N255 PolarHBondContact O-N 2.83Å
254N27Very low31.5Very low160 Ų160109.4 Ų109.486%0.85660%0.595SS**  trans-68.2125.4-175-50.5-33.3000111.5
255N30.7Very low33.1Very low151 Ų151107 Ų10781%0.80758%0.579SS**  trans-154.597.9144-144.92.9000110.7H253 D257H253-N255 PolarHBondContact O-N 2.83Å; N255-D257 PolarHBondContact O-N 3.21Å
256Y26.5Very low34.2Very low239 Ų239107 Ų10794%0.93758%0.58SS**  trans-101.170.5-177.5-140.5-79000109
257D27.4Very low35.4Very low130 Ų130111 Ų11170%0.69559%0.591SS**  trans-150.1133.1177.7-106-40.3000113.7N255N255-D257 PolarHBondContact O-N 3.21Å
258N27.2Very low37.1Very low128 Ų128109.2 Ų109.268%0.68458%0.579SS**  trans65.5121.5160.8-79.2-60.8000122.5
259V27.2Very low39.1Very low104 Ų104109.2 Ų109.263%0.6357%0.571SS**SBendtrans72.3106.5137-176.60000119.4N261V259-N261 PolarHBondContact O-N 3.43Å; V259-N261 VanDerWaalsContact O-N 3.1Å
260N28Very low41.6Very low119 Ų119111.4 Ų111.464%0.63658%0.575SS**  trans5039.4147.7-68.2-36.6000118.7R243 K262R243-N260 PolarHBondContact NH2-OD1 3.47Å; R243-N260 VanDerWaalsContact NH2-OD1 3.14Å; N260-K262 PolarHBondContact O-N 3.33Å
261N31.1Very low44.5Very low120 Ų120105.1 Ų105.164%0.64254%0.537SS*.  trans-67.492.9175.2-72.4-27.6000112.2T244 V259T244-N261 WeakPolarHBondContact CG2-O 3.41Å; T244-N261 PolarHBondContact OG1-O 3.45Å; V259-N261 PolarHBondContact O-N 3.43Å; V259-N261 VanDerWaalsContact O-N 3.1Å
262K38.6Very low47.3Very low109 Ų109102.3 Ų102.347%0.47452%0.516SS..EExtended strand (participates in β ladder)trans-70.3137.3159.7-93.1170.9137.4-165.60109L241 N260L241-K262 HydrophobicContact CB-CB 3.7Å; L241-K262 HydrophobicContact CB-CD 3.75Å; L241-K262 HydrophobicContact CB-CG 3.86Å; L241-K262 HydrophobicContact CD1-CD 4.04Å; L241-K262 HydrophobicContact CD2-CB 3.96Å; L241-K262 HydrophobicContact CD2-CD 4.49Å; L241-K262 HydrophobicContact CG-CB 4.39Å; L241-K262 HydrophobicContact CG-CD 4.31Å; L241-K262 WeakPolarHBondContact O-CE 3.45Å; N260-K262 PolarHBondContact O-N 3.33Å
263F47.6Very low50.5Low67 Ų6797.8 Ų97.829%0.29448%0.484SS..EExtended strand (participates in β ladder)trans-84.7125.5177.2-159-100.8000110.6V242 T244 V247 L265 F268V242-F263 PolarHBondContact O-N 3.37Å; T244-F263 HydrophobicContact CG2-CB 3.83Å; T244-F263 HydrophobicContact CG2-CD2 4.14Å; T244-F263 HydrophobicContact CG2-CG 4.46Å; V247-F263 HydrophobicContact CG2-CE2 4.27Å; V247-F263 HydrophobicContact CG2-CZ 4.35Å; F263-L265 HydrophobicContact CD1-CD2 4.11Å; F263-L265 HydrophobicContact CD1-CG 3.95Å; F263-L265 HydrophobicContact CE1-CD2 3.83Å; F263-L265 HydrophobicContact CE1-CG 4.12Å; F263-F268 HydrophobicContact CE1-CB 4.32Å; F263-F268 HydrophobicContact CZ-CB 4.48Å; F263-F268 HydrophobicContact CZ-CD2 4.25Å
264D54.6Low53.3Low39 Ų3995.3 Ų95.321%0.20947%0.467CS..  trans-101.199.3168.9-168.6-14.8000109.4R239 L241 S266 Q267R239-D264 IonicContact CZ-OD2 3.63Å; R239-D264 IonicContact NE-OD1 2.73Å; R239-D264 PolarHBondContact NE-OD1 3.19Å; R239-D264 IonicContact NE-OD2 2.87Å; R239-D264 PolarHBondContact NE-OD2 2.82Å; R239-D264 IonicContact NH2-OD1 3.36Å; R239-D264 IonicContact NH2-OD2 3.78Å; R239-D264 PolarHBondContact NH2-OD2 2.76Å; L241-D264 HydrophobicContact CD2-CB 3.94Å; D264-S266 PolarHBondContact O-N 3.41Å; D264-S266 VanDerWaalsContact OD1-CB 3.32Å; D264-S266 WeakPolarHBondContact OD1-CB 3.23Å; D264-S266 PolarHBondContact OD1-N 3.24Å; D264-S266 VanDerWaalsContact OD1-N 3.11Å; D264-S266 PolarHBondContact OD1-OG 3.47Å; D264-S266 PolarHBondContact OD2-OG 2.97Å; D264-Q267 PolarHBondContact O-N 3.35Å; D264-Q267 VanDerWaalsContact O-N 3.15Å
265L65.8Low56.3Low21 Ų2188.1 Ų88.111%0.1143%0.429CS..G310 helixtrans-54.1-20.9179.1-82158.2000114W202 F204 F263 Q267 F268 L273 Y286W202-L265 HydrophobicContact CB-CB 4.43Å; W202-L265 HydrophobicContact CB-CD2 4.2Å; W202-L265 CarbonylContact O-C 3.33Å; F204-L265 HydrophobicContact CB-CD1 3.47Å; F204-L265 VanDerWaalsContact CB-CD1 3.47Å; F263-L265 HydrophobicContact CD1-CD2 4.11Å; F263-L265 HydrophobicContact CD1-CG 3.95Å; F263-L265 HydrophobicContact CE1-CD2 3.83Å; F263-L265 HydrophobicContact CE1-CG 4.12Å; L265-Q267 PolarHBondContact O-N 2.92Å; L265-F268 VanDerWaalsContact O-CB 3.31Å; L265-F268 WeakPolarHBondContact O-CB 3.48Å; L265-F268 PolarHBondContact O-N 3.11Å; L265-L273 HydrophobicContact CD2-CD1 3.88Å; L265-L273 HydrophobicContact CD2-CD2 3.62Å; L265-L273 HydrophobicContact CD2-CG 4.43Å; L265-Y286 HydrophobicContact CD1-CD1 4.13Å; L265-Y286 HydrophobicContact CD1-CE1 4.04Å
266S56.4Low59Low29 Ų2982.1 Ų82.120%0.20340%0.396CS..G310 helixtrans-65.8-15.3178.764.30000114.9R239 D264R239-S266 PolarHBondContact NH2-OG 2.95Å; D264-S266 PolarHBondContact O-N 3.41Å; D264-S266 VanDerWaalsContact OD1-CB 3.32Å; D264-S266 WeakPolarHBondContact OD1-CB 3.23Å; D264-S266 PolarHBondContact OD1-N 3.24Å; D264-S266 VanDerWaalsContact OD1-N 3.11Å; D264-S266 PolarHBondContact OD1-OG 3.47Å; D264-S266 PolarHBondContact OD2-OG 2.97Å
267Q55.3Low61.9Low153 Ų15378 Ų7872%0.71538%0.383SS*.G310 helixtrans-90.8-7.3172-58.6-176.421.700112.6D264 L265 H269D264-Q267 PolarHBondContact O-N 3.35Å; D264-Q267 VanDerWaalsContact O-N 3.15Å; L265-Q267 PolarHBondContact O-N 2.92Å; Q267-H269 PolarHBondContact O-CD2 3.08Å; Q267-H269 VanDerWaalsContact O-CD2 3.25Å; Q267-H269 PolarHBondContact O-N 3.34Å
268F68.4Low64.7Low14 Ų1471.8 Ų71.86%0.06135%0.35CS..  trans-86.1110.8-178.3-168-104.8000110.3W202 F263 L265 E270 Q272 L273W202-F268 HydrophobicContact CB-CD1 4.43Å; W202-F268 AromaticContact CD1-CD1 3.47Å; W202-F268 VanDerWaalsContact CD1-CD1 3.47Å; W202-F268 AromaticContact CG-CD1 3.95Å; W202-F268 HydrophobicContact CG-CD1 3.95Å; W202-F268 AromaticContact NE1-CD1 3.84Å; W202-F268 AromaticContact NE1-CE1 3.94Å; F263-F268 HydrophobicContact CE1-CB 4.32Å; F263-F268 HydrophobicContact CZ-CB 4.48Å; F263-F268 HydrophobicContact CZ-CD2 4.25Å; L265-F268 VanDerWaalsContact O-CB 3.31Å; L265-F268 WeakPolarHBondContact O-CB 3.48Å; L265-F268 PolarHBondContact O-N 3.11Å; F268-E270 HydrophobicContact CE1-CB 3.88Å; F268-E270 HydrophobicContact CE2-CB 4.11Å; F268-E270 HydrophobicContact CE2-CG 3.9Å; F268-E270 HydrophobicContact CZ-CB 3.57Å; F268-E270 HydrophobicContact CZ-CG 3.88Å; F268-Q272 WeakPolarHBondContact CE1-O 3.39Å; F268-Q272 VanDerWaalsContact CZ-O 3.31Å; F268-Q272 WeakPolarHBondContact CZ-O 3.46Å; F268-L273 HydrophobicContact CD1-CB 4.42Å; F268-L273 HydrophobicContact CD1-CD1 3.87Å; F268-L273 HydrophobicContact CE1-CB 3.86Å; F268-L273 HydrophobicContact CE1-CD1 3.69Å; F268-L273 HydrophobicContact CE1-CG 4.38Å; F268-L273 HydrophobicContact CG-CD1 4.47Å; F268-L273 HydrophobicContact CZ-CD1 4.12Å
269H71.3Confident67.5Low111 Ų11166.7 Ų66.751%0.51432%0.324SS..  trans-114.411.5-172.7-67.5-59.8000114.1Y200 Q267Y200-H269 PolarHBondContact O-ND1 2.78Å; Q267-H269 PolarHBondContact O-CD2 3.08Å; Q267-H269 VanDerWaalsContact O-CD2 3.25Å; Q267-H269 PolarHBondContact O-N 3.34Å
270E81.4Confident70.1Confident105 Ų10562 Ų6249%0.49130%0.295SS..  trans-79.9157174.5-54.1-177.1-17300111.1Y200 W202 F268 Q272Y200-E270 WeakPolarHBondContact CB-O 3.43Å; W202-E270 PolarHBondContact NE1-O 2.8Å; F268-E270 HydrophobicContact CE1-CB 3.88Å; F268-E270 HydrophobicContact CE2-CB 4.11Å; F268-E270 HydrophobicContact CE2-CG 3.9Å; F268-E270 HydrophobicContact CZ-CB 3.57Å; F268-E270 HydrophobicContact CZ-CG 3.88Å; E270-Q272 VanDerWaalsContact C-N 3.33Å; E270-Q272 PolarHBondContact O-N 2.9Å
271S86.6Confident72.7Confident7 Ų758.9 Ų58.95%0.04928%0.279CS..SBendtrans-76.6-18.5-176.959.30000114.2C184 D185C184-S271 CarbonylContact C-O 3.55Å; C184-S271 WeakPolarHBondContact CA-O 3.36Å; C184-S271 WeakPolarHBondContact CB-O 3.29Å; C184-S271 PolarHBondContact N-O 3Å; D185-S271 PolarHBondContact N-O 3.03Å; D185-S271 WeakPolarHBondContact OD1-CB 3.29Å; D185-S271 PolarHBondContact OD1-OG 3.29Å
272Q89.2Confident75.3Confident64 Ų6453.5 Ų53.530%0.29925%0.249SC..EExtended strand (participates in β ladder)trans-127.2134.4177.3-59.5-174.8-4.400110I181 F182 D185 F268 E270I181-Q272 HydrophobicContact CG2-CB 4.1Å; F182-Q272 CarbonylContact O-C 3.58Å; F182-Q272 VanDerWaalsContact O-CA 3.24Å; F182-Q272 WeakPolarHBondContact O-CA 3.29Å; D185-Q272 PolarHBondContact OD2-NE2 3.14Å; F268-Q272 WeakPolarHBondContact CE1-O 3.39Å; F268-Q272 VanDerWaalsContact CZ-O 3.31Å; F268-Q272 WeakPolarHBondContact CZ-O 3.46Å; E270-Q272 VanDerWaalsContact C-N 3.33Å; E270-Q272 PolarHBondContact O-N 2.9Å
273L90.2Very high77.6Confident4 Ų449.5 Ų49.52%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-104.6108.9176.1173.962000110I181 F182 W202 L265 F268 I275 Y286I181-L273 WeakPolarHBondContact CA-O 3.42Å; F182-L273 HydrophobicContact CB-CB 4.33Å; F182-L273 HydrophobicContact CD2-CB 4.26Å; F182-L273 HydrophobicContact CD2-CD2 4Å; F182-L273 HydrophobicContact CD2-CG 4.14Å; F182-L273 PolarHBondContact N-O 3.15Å; F182-L273 PolarHBondContact O-N 3.03Å; W202-L273 HydrophobicContact CD2-CB 3.89Å; W202-L273 HydrophobicContact CD2-CD2 4.08Å; W202-L273 HydrophobicContact CE3-CB 3.92Å; W202-L273 HydrophobicContact CE3-CD2 3.67Å; W202-L273 HydrophobicContact CE3-CG 4.46Å; W202-L273 HydrophobicContact CH2-CB 3.79Å; W202-L273 HydrophobicContact CZ2-CB 3.75Å; W202-L273 HydrophobicContact CZ3-CB 3.87Å; W202-L273 HydrophobicContact CZ3-CD2 4.09Å; L265-L273 HydrophobicContact CD2-CD1 3.88Å; L265-L273 HydrophobicContact CD2-CD2 3.62Å; L265-L273 HydrophobicContact CD2-CG 4.43Å; F268-L273 HydrophobicContact CD1-CB 4.42Å; F268-L273 HydrophobicContact CD1-CD1 3.87Å; F268-L273 HydrophobicContact CE1-CB 3.86Å; F268-L273 HydrophobicContact CE1-CD1 3.69Å; F268-L273 HydrophobicContact CE1-CG 4.38Å; F268-L273 HydrophobicContact CG-CD1 4.47Å; F268-L273 HydrophobicContact CZ-CD1 4.12Å; L273-I275 HydrophobicContact CD2-CD1 4.44Å; L273-I275 HydrophobicContact CG-CD1 4.49Å; L273-I275 HydrophobicContact CG-CG1 4.22Å; L273-Y286 HydrophobicContact CD2-CD1 3.89Å; L273-Y286 HydrophobicContact CD2-CE1 4.32Å
274R89.4Confident79.6Confident128 Ų12846.9 Ų46.948%0.48323%0.225SC..EExtended strand (participates in β ladder)trans-93.1131.3174.8179174171.7166.92.4111I180 I181 D276I180-R274 WeakPolarHBondContact O-CA 3.19Å; I181-R274 HydrophobicContact CG1-CB 4.21Å; I181-R274 HydrophobicContact CG1-CG 4.07Å; R274-D276 IonicContact CZ-OD1 3.9Å; R274-D276 IonicContact CZ-OD2 3.67Å; R274-D276 VanDerWaalsContact NE-CG 3.3Å; R274-D276 IonicContact NE-OD1 3.37Å; R274-D276 PolarHBondContact NE-OD1 3.19Å; R274-D276 IonicContact NE-OD2 3.42Å; R274-D276 PolarHBondContact NE-OD2 2.86Å; R274-D276 IonicContact NH2-OD1 3.32Å; R274-D276 PolarHBondContact NH2-OD1 2.94Å; R274-D276 IonicContact NH2-OD2 2.67Å; R274-D276 PolarHBondContact NH2-OD2 3.32Å
275I88.8Confident81.4Confident9 Ų947.9 Ų47.95%0.04623%0.228CC..EExtended strand (participates in β ladder)trans-127.1113.6174.5-49.2-173.8000108.2H179 I180 F182 P245 L273 L278 Y286H179-I275 WeakPolarHBondContact CA-O 3.44Å; I180-I275 HydrophobicContact CG2-CB 3.97Å; I180-I275 HydrophobicContact CG2-CG1 4.46Å; I180-I275 PolarHBondContact N-O 3.43Å; I180-I275 PolarHBondContact O-N 3.31Å; F182-I275 HydrophobicContact CD2-CD1 4.41Å; F182-I275 HydrophobicContact CE2-CD1 3.76Å; F182-I275 HydrophobicContact CE2-CG1 4.43Å; P245-I275 HydrophobicContact CB-CG2 4.49Å; P245-I275 HydrophobicContact CG-CG2 3.81Å; L273-I275 HydrophobicContact CD2-CD1 4.44Å; L273-I275 HydrophobicContact CG-CD1 4.49Å; L273-I275 HydrophobicContact CG-CG1 4.22Å; I275-L278 HydrophobicContact CB-CD2 4.15Å; I275-L278 HydrophobicContact CG2-CD2 3.63Å; I275-Y286 HydrophobicContact CD1-CE1 3.8Å
276D88Confident82.7Confident24 Ų2447.1 Ų47.113%0.12822%0.224CC..  trans-97.2151.5174.5-65.8-61.9000110.7H179 P245 R274H179-D276 WeakPolarHBondContact CB-OD1 3.5Å; P245-D276 VanDerWaalsContact CB-O 3.23Å; P245-D276 WeakPolarHBondContact CB-O 3.32Å; R274-D276 IonicContact CZ-OD1 3.9Å; R274-D276 IonicContact CZ-OD2 3.67Å; R274-D276 VanDerWaalsContact NE-CG 3.3Å; R274-D276 IonicContact NE-OD1 3.37Å; R274-D276 PolarHBondContact NE-OD1 3.19Å; R274-D276 IonicContact NE-OD2 3.42Å; R274-D276 PolarHBondContact NE-OD2 2.86Å; R274-D276 IonicContact NH2-OD1 3.32Å; R274-D276 PolarHBondContact NH2-OD1 2.94Å; R274-D276 IonicContact NH2-OD2 2.67Å; R274-D276 PolarHBondContact NH2-OD2 3.32Å
277K86.7Confident84.4Confident152 Ų15246.9 Ų46.966%0.66122%0.22SC*.SBendtrans57.462.3178.4-59.3178.3178.61760113.7D178 T279D178-K277 PolarHBondContact O-N 2.94Å; K277-T279 PolarHBondContact O-N 3.02Å
278L88.1Confident86.2Confident0 Ų039.7 Ų39.70%019%0.186CC..  trans-61117.9-178.8-72174.7000113.6K174 W176 G177 D178 I180 I275 H282 L323 V325K174-L278 HydrophobicContact CB-CD1 3.55Å; K174-L278 HydrophobicContact CG-CD1 3.81Å; W176-L278 CarbonylContact C-O 3.56Å; W176-L278 WeakPolarHBondContact CA-O 3.26Å; G177-L278 PolarHBondContact N-O 2.77Å; D178-L278 HydrophobicContact CB-CD1 4.28Å; D178-L278 WeakPolarHBondContact O-CB 3.38Å; D178-L278 WeakPolarHBondContact O-CG 3.23Å; D178-L278 PolarHBondContact O-N 2.89Å; I180-L278 HydrophobicContact CB-CD1 4.17Å; I180-L278 HydrophobicContact CG2-CD1 3.93Å; I180-L278 HydrophobicContact CG2-CD2 4.05Å; I180-L278 HydrophobicContact CG2-CG 4.41Å; I275-L278 HydrophobicContact CB-CD2 4.15Å; I275-L278 HydrophobicContact CG2-CD2 3.63Å; L278-H282 HydrophobicContact CD2-CB 3.98Å; L278-L323 HydrophobicContact CD2-CD2 3.81Å; L278-V325 HydrophobicContact CB-CG1 4.12Å; L278-V325 HydrophobicContact CB-CG2 4.18Å; L278-V325 HydrophobicContact CD1-CG2 4.49Å; L278-V325 HydrophobicContact CD2-CG2 4.39Å
279T84.8Confident87.3Confident22 Ų2239.4 Ų39.414%0.13519%0.186CC..  trans-105.2169.4171.841.10000111.6W176 K277 D281 H282W176-T279 HydrophobicContact CZ2-CG2 4.44Å; K277-T279 PolarHBondContact O-N 3.02Å; T279-D281 WeakPolarHBondContact CB-OD1 3.44Å; T279-D281 PolarHBondContact O-N 2.92Å; T279-D281 PolarHBondContact OG1-OD1 3.4Å; T279-H282 PolarHBondContact N-ND1 2.58Å; T279-H282 WeakPolarHBondContact O-CB 3.46Å; T279-H282 PolarHBondContact O-N 2.88Å; T279-H282 PolarHBondContact O-ND1 2.76Å; T279-H282 PolarHBondContact OG1-CE1 3.42Å; T279-H282 PolarHBondContact OG1-ND1 3.17Å
280L82.6Confident88.3Confident6 Ų634.1 Ų34.13%0.03116%0.161CC..G310 helixtrans-69.1-13.4-172.5-76.8-177.9000115.9N283 V325 E359 E360 R362L280-N283 WeakPolarHBondContact O-CB 3.45Å; L280-N283 PolarHBondContact O-ND2 3.27Å; L280-V325 HydrophobicContact CD2-CB 4.45Å; L280-V325 HydrophobicContact CD2-CG1 4.45Å; L280-V325 WeakPolarHBondContact CD2-O 3.19Å; L280-E359 WeakPolarHBondContact CB-O 3.31Å; L280-E359 PolarHBondContact N-O 3.23Å; L280-E360 VanDerWaalsContact CD1-C 3.42Å; L280-E360 VanDerWaalsContact CD1-O 3.23Å; L280-E360 WeakPolarHBondContact CD1-O 3.25Å; L280-R362 HydrophobicContact CD1-CB 4.23Å; L280-R362 HydrophobicContact CD1-CG 3.96Å; L280-R362 PolarHBondContact O-NH2 3.02Å
281D81.2Confident88.6Confident53 Ų5333.9 Ų33.928%0.28316%0.156SC..G310 helixtrans-77.1-24.9174.465.2-31.4000113.3T279 N283T279-D281 WeakPolarHBondContact CB-OD1 3.44Å; T279-D281 PolarHBondContact O-N 2.92Å; T279-D281 PolarHBondContact OG1-OD1 3.4Å; D281-N283 PolarHBondContact O-N 3.11Å
282H85.6Confident88.4Confident6 Ų634.1 Ų34.13%0.02816%0.157CC..G310 helixtrans-69.7-6.3172.1-63.790000113.5P245 L278 T279 G284 Y286 L323 V325P245-H282 WeakPolarHBondContact CD-NE2 3.28Å; P245-H282 VanDerWaalsContact CG-NE2 3.35Å; P245-H282 WeakPolarHBondContact CG-NE2 3.35Å; L278-H282 HydrophobicContact CD2-CB 3.98Å; T279-H282 PolarHBondContact N-ND1 2.58Å; T279-H282 WeakPolarHBondContact O-CB 3.46Å; T279-H282 PolarHBondContact O-N 2.88Å; T279-H282 PolarHBondContact O-ND1 2.76Å; T279-H282 PolarHBondContact OG1-CE1 3.42Å; T279-H282 PolarHBondContact OG1-ND1 3.17Å; H282-G284 PolarHBondContact O-N 2.98Å; H282-Y286 WeakPolarHBondContact O-CE2 3.41Å; H282-Y286 PolarHBondContact O-OH 2.91Å; H282-L323 HydrophobicContact CB-CD2 4.18Å; H282-L323 WeakPolarHBondContact O-CD2 3.27Å; H282-V325 HydrophobicContact CB-CG2 4.25Å
283N87.6Confident87.8Confident26 Ų2638 Ų3814%0.13917%0.169CC..  trans-63.5117.7171.6-85.6-71.7000110.9L280 D281 T324 V325L280-N283 WeakPolarHBondContact O-CB 3.45Å; L280-N283 PolarHBondContact O-ND2 3.27Å; D281-N283 PolarHBondContact O-N 3.11Å; N283-T324 WeakPolarHBondContact OD1-CA 3.33Å; N283-V325 PolarHBondContact ND2-O 2.95Å; N283-V325 PolarHBondContact OD1-N 3.44Å
284G88.8Confident86.5Confident12 Ų1243 Ų4312%0.12419%0.194CC..EExtended strand (participates in β ladder)trans169.8-166.2176.200000112.3H282 L323H282-G284 PolarHBondContact O-N 2.98Å; G284-L323 PolarHBondContact N-O 3.06Å; G284-L323 PolarHBondContact O-N 3.25Å
285E92.5Very high84.6Confident59 Ų5940.9 Ų40.928%0.27620%0.196SC..EExtended strand (participates in β ladder)trans-107129.6177.9-177.4-176149.600109.6I205 Q320 F321I205-E285 HydrophobicContact CB-CB 4.13Å; I205-E285 HydrophobicContact CB-CG 4.5Å; I205-E285 HydrophobicContact CD1-CG 4.39Å; I205-E285 PolarHBondContact N-O 3.25Å; I205-E285 PolarHBondContact O-N 2.74Å; E285-Q320 PolarHBondContact OE1-NE2 3.14Å; E285-F321 CarbonylContact C-O 3.51Å; E285-F321 VanDerWaalsContact CA-O 3.27Å; E285-F321 WeakPolarHBondContact CA-O 3.35Å
286Y93Very high82.2Confident6 Ų646.7 Ų46.72%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-111120.6177.4-66.3-98.6000107.8F182 E203 F204 L265 L273 I275 H282 Q320 F321 L323F182-Y286 HydrophobicContact CE2-CD1 4.17Å; F182-Y286 AromaticContact CE2-CD2 3.84Å; F182-Y286 HydrophobicContact CE2-CD2 3.84Å; F182-Y286 HydrophobicContact CE2-CE1 4.44Å; F182-Y286 HydrophobicContact CE2-CE2 4.13Å; F182-Y286 AromaticContact CE2-CG 3.87Å; F182-Y286 HydrophobicContact CE2-CG 3.87Å; F182-Y286 AromaticContact CZ-CD2 3.81Å; F182-Y286 HydrophobicContact CZ-CD2 3.81Å; F182-Y286 HydrophobicContact CZ-CE2 4.16Å; F182-Y286 HydrophobicContact CZ-CG 4.24Å; E203-Y286 WeakPolarHBondContact O-CA 3.36Å; F204-Y286 HydrophobicContact CB-CD1 4.45Å; F204-Y286 HydrophobicContact CB-CE1 4.43Å; F204-Y286 AromaticContact CD2-CD1 3.93Å; F204-Y286 HydrophobicContact CD2-CD1 3.93Å; F204-Y286 HydrophobicContact CD2-CD2 4.09Å; F204-Y286 AromaticContact CD2-CE1 3.59Å; F204-Y286 HydrophobicContact CD2-CE1 3.59Å; F204-Y286 AromaticContact CD2-CE2 3.76Å; F204-Y286 HydrophobicContact CD2-CE2 3.76Å; F204-Y286 HydrophobicContact CD2-CG 4.17Å; F204-Y286 AromaticContact CD2-CZ 3.5Å; F204-Y286 VanDerWaalsContact CD2-CZ 3.5Å; F204-Y286 HydrophobicContact CE2-CD2 4.37Å; F204-Y286 HydrophobicContact CE2-CE1 4.22Å; F204-Y286 AromaticContact CE2-CE2 3.72Å; F204-Y286 HydrophobicContact CE2-CE2 3.72Å; F204-Y286 AromaticContact CE2-CZ 3.64Å; F204-Y286 HydrophobicContact CG-CE1 4.39Å; L265-Y286 HydrophobicContact CD1-CD1 4.13Å; L265-Y286 HydrophobicContact CD1-CE1 4.04Å; L273-Y286 HydrophobicContact CD2-CD1 3.89Å; L273-Y286 HydrophobicContact CD2-CE1 4.32Å; I275-Y286 HydrophobicContact CD1-CE1 3.8Å; H282-Y286 WeakPolarHBondContact O-CE2 3.41Å; H282-Y286 PolarHBondContact O-OH 2.91Å; Y286-Q320 CarbonylContact O-C 3.59Å; Y286-Q320 WeakPolarHBondContact O-CA 3.32Å; Y286-F321 PolarHBondContact N-O 3.02Å; Y286-F321 PolarHBondContact O-N 3.05Å; Y286-L323 HydrophobicContact CD2-CB 4.25Å; Y286-L323 HydrophobicContact CE2-CB 3.99Å; Y286-L323 HydrophobicContact CE2-CD2 4.02Å
287Q92.9Very high79.8Confident24 Ų2450 Ų5011%0.11226%0.257CS..EExtended strand (participates in β ladder)trans-108.7128.3175.1-178.8174.845.800109.1W202 E203 I205 R319 Q320W202-Q287 CarbonylContact C-O 3.55Å; W202-Q287 WeakPolarHBondContact CA-O 3.47Å; E203-Q287 HydrophobicContact CG-CB 3.74Å; E203-Q287 HydrophobicContact CG-CG 4.46Å; E203-Q287 PolarHBondContact N-O 3.03Å; E203-Q287 PolarHBondContact O-N 3.4Å; E203-Q287 PolarHBondContact OE1-OE1 2.79Å; I205-Q287 HydrophobicContact CD1-CB 3.98Å; Q287-R319 WeakPolarHBondContact CA-O 3.41Å; Q287-Q320 HydrophobicContact CB-CG 3.98Å; Q287-Q320 HydrophobicContact CG-CG 3.88Å
288C93.4Very high77.2Confident1 Ų146.9 Ų46.91%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-101.2144.3163.473.30000109.5C184 Q201 W202 T318 R319C184-C288 HydrophobicContact CB-CB 3.69Å; C184-C288 WeakPolarHBondContact CB-SG 3.33Å; C184-C288 WeakPolarHBondContact SG-CB 3.5Å; C184-C288 CovalentContact SG-SG 2.01Å; C184-C288 PolarHBondContact SG-SG 3.08Å; Q201-C288 CarbonylContact O-C 3.53Å; Q201-C288 WeakPolarHBondContact O-CA 3.44Å; W202-C288 HydrophobicContact CD2-CB 3.75Å; W202-C288 HydrophobicContact CE3-CB 3.72Å; W202-C288 HydrophobicContact CG-CB 4.45Å; W202-C288 HydrophobicContact CH2-CB 3.89Å; W202-C288 HydrophobicContact CZ2-CB 3.92Å; W202-C288 HydrophobicContact CZ3-CB 3.79Å; C288-T318 VanDerWaalsContact O-CA 3.25Å; C288-T318 WeakPolarHBondContact O-CA 3.01Å; C288-R319 PolarHBondContact N-O 3.31Å; C288-R319 PolarHBondContact O-N 3.21Å
289T91.9Very high74.5Confident8 Ų850.5 Ų50.55%0.04931%0.305CS..EExtended strand (participates in β ladder)trans-123.7126.6171.6-55.90000108Q201 R291 M316 I317 T318Q201-T289 PolarHBondContact N-O 3.46Å; Q201-T289 PolarHBondContact O-N 3.17Å; T289-R291 HydrophobicContact CG2-CG 3.89Å; T289-M316 HydrophobicContact CG2-SD 4.26Å; T289-I317 WeakPolarHBondContact CA-O 3.39Å; T289-T318 HydrophobicContact CG2-CG2 3.97Å
290V91.1Very high71.9Confident0 Ų053.6 Ų53.60%034%0.342CS..EExtended strand (participates in β ladder)trans-108.1127.2172.3-165.20000108.5P159 F161 A186 L198 I199 Y200 M316 I317P159-V290 HydrophobicContact CB-CG1 4.37Å; F161-V290 HydrophobicContact CE1-CG2 3.97Å; A186-V290 HydrophobicContact CB-CG1 4.03Å; A186-V290 HydrophobicContact CB-CG2 4.28Å; L198-V290 HydrophobicContact CB-CG1 4.24Å; L198-V290 HydrophobicContact CD2-CG1 4.22Å; I199-V290 WeakPolarHBondContact O-CA 3.18Å; Y200-V290 HydrophobicContact CD1-CB 4.38Å; Y200-V290 HydrophobicContact CD1-CG1 4.01Å; Y200-V290 HydrophobicContact CD1-CG2 3.66Å; Y200-V290 HydrophobicContact CE1-CB 4.43Å; Y200-V290 HydrophobicContact CE1-CG1 3.77Å; Y200-V290 HydrophobicContact CE1-CG2 3.77Å; V290-M316 CarbonylContact O-C 3.57Å; V290-M316 WeakPolarHBondContact O-CA 3.42Å; V290-M316 WeakPolarHBondContact O-CB 3.21Å; V290-I317 HydrophobicContact CB-CD1 4.31Å; V290-I317 HydrophobicContact CB-CG1 3.76Å; V290-I317 HydrophobicContact CG2-CD1 4.38Å; V290-I317 HydrophobicContact CG2-CG1 4.06Å; V290-I317 PolarHBondContact N-O 3.23Å; V290-I317 PolarHBondContact O-N 2.71Å
291R87.7Confident69.5Low100 Ų10056.8 Ų56.838%0.37738%0.376SS..EExtended strand (participates in β ladder)trans-125.8143.8179.2-52.3-170.2175.7150.96110.2I199 T289 M316I199-R291 PolarHBondContact N-O 2.83Å; I199-R291 PolarHBondContact O-N 3.02Å; T289-R291 HydrophobicContact CG2-CG 3.89Å; R291-M316 HydrophobicContact CB-CB 4.45Å; R291-M316 HydrophobicContact CG-CB 3.86Å
292T83.3Confident66.9Low12 Ų1258.8 Ų58.87%0.07441%0.409CS..EExtended strand (participates in β ladder)trans-80.2138.5167.252.90000110.8P159 M188 N197 L198 I294 P314 P315P159-T292 HydrophobicContact CG-CG2 4.46Å; M188-T292 HydrophobicContact CE-CG2 4.13Å; M188-T292 HydrophobicContact SD-CG2 4.06Å; N197-T292 CarbonylContact O-C 3.39Å; N197-T292 WeakPolarHBondContact O-CA 3.39Å; L198-T292 HydrophobicContact CD2-CG2 4.01Å; T292-I294 PolarHBondContact O-N 3.49Å; T292-P314 WeakPolarHBondContact O-CB 3.23Å; T292-P315 HydrophobicContact CG2-CG 4.34Å; T292-P315 PolarHBondContact N-O 3.26Å; T292-P315 WeakPolarHBondContact OG1-CD 3.35Å; T292-P315 WeakPolarHBondContact OG1-CG 3.31Å; T292-P315 PolarHBondContact OG1-O 2.92Å
293R76.8Confident64.3Low145 Ų14561.7 Ų61.755%0.54744%0.441SS..  trans-58.8130.2159.3-67.3-179.2-169-163.35.3108.2D196 N197 I199 T295D196-R293 PolarHBondContact O-NE 3.41Å; N197-R293 PolarHBondContact O-N 2.79Å; I199-R293 HydrophobicContact CD1-CG 3.59Å; I199-R293 HydrophobicContact CG1-CG 3.95Å; R293-T295 PolarHBondContact O-N 3.48Å
294I62.5Low61.4Low109 Ų10964.7 Ų64.756%0.55948%0.478SS*.  trans-70.398.8170.5-56.1175000106.6T292 T296 P314T292-I294 PolarHBondContact O-N 3.49Å; I294-T296 HydrophobicContact CG2-CG2 4.17Å; I294-T296 PolarHBondContact O-N 2.72Å; I294-P314 HydrophobicContact CD1-CB 4.31Å; I294-P314 HydrophobicContact CD1-CG 4.36Å; I294-P314 HydrophobicContact CG1-CB 3.83Å; I294-P314 HydrophobicContact CG1-CG 4.3Å
295T50Low58.9Low84 Ų8468.7 Ų68.752%0.51551%0.51SS..  trans-70.3100.2166.944.80000108R293 S297R293-T295 PolarHBondContact O-N 3.48Å; T295-S297 PolarHBondContact O-N 3.06Å
296T38.6Very low56.1Low132 Ų13271.6 Ų71.681%0.8153%0.532SS*.  trans-72.146.6166.952.50000110.8I294 G298I294-T296 HydrophobicContact CG2-CG2 4.17Å; I294-T296 PolarHBondContact O-N 2.72Å; T296-G298 VanDerWaalsContact C-N 3.32Å
297S37Very low53.3Low93 Ų9380.6 Ų80.665%0.6558%0.577SS**  trans-98.235.9178.5630000111.8T295 G299T295-S297 PolarHBondContact O-N 3.06Å; S297-G299 PolarHBondContact O-N 3.31Å
298G32.5Very low50.6Low87 Ų8786 Ų8690%0.89761%0.606SS**  trans-79.274.6151.800000108.7T296T296-G298 VanDerWaalsContact C-N 3.32Å
299G31.6Very low47.7Very low75 Ų7592.8 Ų92.877%0.77364%0.642SS**  trans-165.552.8-166.400000113.9S297S297-G299 PolarHBondContact O-N 3.31Å
300G30.1Very low45.1Very low87 Ų87102 Ų10290%0.89768%0.678SS**SBendtrans-175.336.1-175.200000115.2
301G31.9Very low43Very low73 Ų73110.6 Ų110.675%0.75372%0.718SS**SBendtrans175.9119.4179.500000111G303G301-G303 PolarHBondContact O-N 3.48Å
302G27.2Very low41.4Very low95 Ų95112.5 Ų112.598%0.97973%0.731SS**  trans-68.4120.6-172.400000113.2
303G30.2Very low40.5Very low67 Ų67118.7 Ų118.769%0.69176%0.762SS**  trans178.9111.5173.600000109.2G301 A305G301-G303 PolarHBondContact O-N 3.48Å; G303-A305 PolarHBondContact O-N 2.85Å
304G26.9Very low40.3Very low90 Ų90113.5 Ų113.593%0.92875%0.747SS**  trans-65.3102.9-167.300000113.8
305A35.3Very low41.2Very low96 Ų96110 Ų11079%0.79373%0.731SS**  trans-91.4116162.400000109G303G303-A305 PolarHBondContact O-N 2.85Å
306T34.2Very low43Very low120 Ų120110.2 Ų110.274%0.73673%0.728SS**  trans-61138.4178.344.10000111.6N308T306-N308 VanDerWaalsContact C-N 3.33Å; T306-N308 PolarHBondContact O-N 3Å
307M34.6Very low45.5Very low195 Ų195104.4 Ų104.496%0.96169%0.691SS**  trans-65.388.9171.6-82.4-166.3172.400111
308N36.8Very low48.2Very low137 Ų137103.1 Ų103.173%0.73368%0.679SS**  trans-98.6100.4161.9-78.6-11.2000108.7T306 Y310T306-N308 VanDerWaalsContact C-N 3.33Å; T306-N308 PolarHBondContact O-N 3Å; N308-Y310 PolarHBondContact O-N 3.16Å
309N31.5Very low51Low144 Ų14499.7 Ų99.777%0.7764%0.639SS**  trans-71.289-175.1-163.2-1.6000110.7
310Y37.9Very low54Low202 Ų202100.8 Ų100.879%0.79262%0.624SS**  trans-118.1120.7160.9-97.9-90.8000107.9N308 Q312N308-Y310 PolarHBondContact O-N 3.16Å; Y310-Q312 PolarHBondContact O-N 3.33Å
311H45.9Very low57Low180 Ų18096.8 Ų96.883%0.83358%0.583SS**  trans-6290.3161.1-88.443.7000108I313H311-I313 PolarHBondContact O-N 3.02Å; H311-I313 VanDerWaalsContact O-N 3.15Å
312Q55.4Low60Low139 Ų139100.4 Ų100.465%0.6557%0.573SS**  trans-68.6112.5171.4-71.4-1767.800107.4Y310Y310-Q312 PolarHBondContact O-N 3.33Å
313I64.3Low63.2Low142 Ų14296 Ų9673%0.72853%0.527SS*.PPolyproline II helixtrans-55.3122.7172.4-60.4172.2000106.5H311H311-I313 PolarHBondContact O-N 3.02Å; H311-I313 VanDerWaalsContact O-N 3.15Å
314P72.2Confident66.1Low37 Ų3795.6 Ų95.624%0.2451%0.512CS..PPolyproline II helixtrans-60.7139.8-17721.6-29.4000109.5T292 I294 M316T292-P314 WeakPolarHBondContact O-CB 3.23Å; I294-P314 HydrophobicContact CD1-CB 4.31Å; I294-P314 HydrophobicContact CD1-CG 4.36Å; I294-P314 HydrophobicContact CG1-CB 3.83Å; I294-P314 HydrophobicContact CG1-CG 4.3Å; P314-M316 PolarHBondContact O-N 3.45Å
315P81.2Confident69.1Low34 Ų3491.6 Ų91.622%0.22147%0.469CS..PPolyproline II helixtrans-57.8131.1178.524.4-33.3000109.9A146 T292A146-P315 HydrophobicContact CB-CB 3.86Å; T292-P315 HydrophobicContact CG2-CG 4.34Å; T292-P315 PolarHBondContact N-O 3.26Å; T292-P315 WeakPolarHBondContact OG1-CD 3.35Å; T292-P315 WeakPolarHBondContact OG1-CG 3.31Å; T292-P315 PolarHBondContact OG1-O 2.92Å
316M87.3Confident71.6Confident90 Ų9093.1 Ų93.144%0.44346%0.458SS..EExtended strand (participates in β ladder)trans-137.5150.8-177.565.9176.3179.300111.2T289 V290 R291 P314T289-M316 HydrophobicContact CG2-SD 4.26Å; V290-M316 CarbonylContact O-C 3.57Å; V290-M316 WeakPolarHBondContact O-CA 3.42Å; V290-M316 WeakPolarHBondContact O-CB 3.21Å; R291-M316 HydrophobicContact CB-CB 4.45Å; R291-M316 HydrophobicContact CG-CB 3.86Å; P314-M316 PolarHBondContact O-N 3.45Å
317I91.6Very high73.9Confident9 Ų988.9 Ų88.95%0.04643%0.433CS..EExtended strand (participates in β ladder)trans-123.6151.917155.4-177.7000109.5C145 A146 P159 F161 A186 T289 V290C145-I317 VanDerWaalsContact C-CG2 3.4Å; A146-I317 HydrophobicContact CB-CG2 3.92Å; P159-I317 HydrophobicContact CB-CD1 3.9Å; P159-I317 HydrophobicContact CB-CG1 4.18Å; P159-I317 HydrophobicContact CG-CD1 4.22Å; P159-I317 HydrophobicContact CG-CG1 3.97Å; P159-I317 HydrophobicContact CG-CG2 4.33Å; P159-I317 WeakPolarHBondContact O-CG2 3.47Å; F161-I317 HydrophobicContact CD1-CD1 3.71Å; F161-I317 HydrophobicContact CD2-CD1 3.83Å; F161-I317 HydrophobicContact CE1-CD1 3.66Å; F161-I317 HydrophobicContact CE1-CG1 3.97Å; F161-I317 HydrophobicContact CE2-CB 3.9Å; F161-I317 HydrophobicContact CE2-CD1 3.79Å; F161-I317 HydrophobicContact CE2-CG1 3.99Å; F161-I317 HydrophobicContact CG-CD1 3.78Å; F161-I317 HydrophobicContact CZ-CB 3.95Å; F161-I317 HydrophobicContact CZ-CD1 3.68Å; F161-I317 HydrophobicContact CZ-CG1 3.67Å; A186-I317 HydrophobicContact CB-CD1 4.09Å; T289-I317 WeakPolarHBondContact CA-O 3.39Å; V290-I317 HydrophobicContact CB-CD1 4.31Å; V290-I317 HydrophobicContact CB-CG1 3.76Å; V290-I317 HydrophobicContact CG2-CD1 4.38Å; V290-I317 HydrophobicContact CG2-CG1 4.06Å; V290-I317 PolarHBondContact N-O 3.23Å; V290-I317 PolarHBondContact O-N 2.71Å
318T92.5Very high76.2Confident66 Ų6682.3 Ų82.341%0.40540%0.398SS..EExtended strand (participates in β ladder)trans-132.8140.317856.10000110.4C288 T289C288-T318 VanDerWaalsContact O-CA 3.25Å; C288-T318 WeakPolarHBondContact O-CA 3.01Å; T289-T318 HydrophobicContact CG2-CG2 3.97Å
319R93Very high78.3Confident15 Ų1581.5 Ų81.56%0.05740%0.398CS..EExtended strand (participates in β ladder)trans-131.9134174.6162.7-175.8-67.6-174.8-8.6108.5F161 T163 L170 D183 Q287 C288 F321F161-R319 HydrophobicContact CE1-CB 3.96Å; F161-R319 HydrophobicContact CE2-CB 3.77Å; F161-R319 VanDerWaalsContact CG-NH2 3.33Å; F161-R319 HydrophobicContact CZ-CB 3.37Å; T163-R319 PolarHBondContact O-NH2 2.73Å; T163-R319 PolarHBondContact OG1-NH1 3.31Å; L170-R319 HydrophobicContact CD2-CG 3.92Å; D183-R319 WeakPolarHBondContact O-CD 3.47Å; D183-R319 PolarHBondContact O-NH1 2.93Å; Q287-R319 WeakPolarHBondContact CA-O 3.41Å; C288-R319 PolarHBondContact N-O 3.31Å; C288-R319 PolarHBondContact O-N 3.21Å; R319-F321 VanDerWaalsContact CD-CZ 3.41Å; R319-F321 HydrophobicContact CG-CD2 4.47Å; R319-F321 HydrophobicContact CG-CE1 4.34Å; R319-F321 HydrophobicContact CG-CE2 3.79Å; R319-F321 HydrophobicContact CG-CZ 3.73Å
320Q93.5Very high80.5Confident98 Ų9878.7 Ų78.746%0.45838%0.383SS..EExtended strand (participates in β ladder)trans-113.9133.4-176.8-74.6167.7-52.800109.2E285 Y286 Q287E285-Q320 PolarHBondContact OE1-NE2 3.14Å; Y286-Q320 CarbonylContact O-C 3.59Å; Y286-Q320 WeakPolarHBondContact O-CA 3.32Å; Q287-Q320 HydrophobicContact CB-CG 3.98Å; Q287-Q320 HydrophobicContact CG-CG 3.88Å
321F94.4Very high82.4Confident4 Ų470.9 Ų70.92%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-117.3134173.6-54-94.1000109.9L165 L170 F182 D183 C184 W202 E285 Y286 R319L165-F321 HydrophobicContact CD1-CE1 3.72Å; L165-F321 HydrophobicContact CD1-CZ 4.2Å; L170-F321 HydrophobicContact CD2-CD1 4.21Å; L170-F321 HydrophobicContact CD2-CE1 4.16Å; L170-F321 CarbonylContact O-C 3.49Å; L170-F321 WeakPolarHBondContact O-CA 3.3Å; F182-F321 HydrophobicContact CB-CD1 4.47Å; F182-F321 HydrophobicContact CB-CD2 4.04Å; F182-F321 HydrophobicContact CB-CE1 4.22Å; F182-F321 HydrophobicContact CB-CE2 3.78Å; F182-F321 HydrophobicContact CB-CG 4.36Å; F182-F321 HydrophobicContact CB-CZ 3.86Å; F182-F321 HydrophobicContact CD1-CB 3.69Å; F182-F321 AromaticContact CD1-CD1 3.52Å; F182-F321 HydrophobicContact CD1-CD1 3.52Å; F182-F321 AromaticContact CD1-CD2 3.91Å; F182-F321 HydrophobicContact CD1-CD2 3.91Å; F182-F321 HydrophobicContact CD1-CE1 4.02Å; F182-F321 HydrophobicContact CD1-CE2 4.38Å; F182-F321 AromaticContact CD1-CG 3.44Å; F182-F321 HydrophobicContact CD1-CG 3.44Å; F182-F321 VanDerWaalsContact CD1-CG 3.44Å; F182-F321 HydrophobicContact CD1-CZ 4.41Å; F182-F321 HydrophobicContact CE1-CB 3.6Å; F182-F321 HydrophobicContact CE1-CD1 4.16Å; F182-F321 AromaticContact CE1-CG 3.91Å; F182-F321 HydrophobicContact CE1-CG 3.91Å; F182-F321 HydrophobicContact CG-CD1 4.37Å; F182-F321 HydrophobicContact CG-CD2 4.1Å; F182-F321 HydrophobicContact CG-CE2 4.34Å; F182-F321 HydrophobicContact CG-CG 4.1Å; F182-F321 HydrophobicContact CZ-CB 4.38Å; D183-F321 WeakPolarHBondContact O-CZ 3.32Å; C184-F321 VanDerWaalsContact SG-CE2 3.53Å; W202-F321 AromaticContact CH2-CE2 3.84Å; W202-F321 HydrophobicContact CH2-CE2 3.84Å; W202-F321 HydrophobicContact CZ3-CD2 4.11Å; W202-F321 AromaticContact CZ3-CE2 3.8Å; W202-F321 HydrophobicContact CZ3-CE2 3.8Å; E285-F321 CarbonylContact C-O 3.51Å; E285-F321 VanDerWaalsContact CA-O 3.27Å; E285-F321 WeakPolarHBondContact CA-O 3.35Å; Y286-F321 PolarHBondContact N-O 3.02Å; Y286-F321 PolarHBondContact O-N 3.05Å; R319-F321 VanDerWaalsContact CD-CZ 3.41Å; R319-F321 HydrophobicContact CG-CD2 4.47Å; R319-F321 HydrophobicContact CG-CE1 4.34Å; R319-F321 HydrophobicContact CG-CE2 3.79Å; R319-F321 HydrophobicContact CG-CZ 3.73Å
322R94.5Very high84.2Confident148 Ų14865.7 Ų65.756%0.55835%0.348SS*.EExtended strand (participates in β ladder)trans-109.493.5176.5-173.9176.6174.9166.8-1.5110L170 N171L170-R322 PolarHBondContact O-N 3.33Å; N171-R322 WeakPolarHBondContact OD1-CB 3.37Å
323L93.4Very high85.6Confident3 Ų359.2 Ų59.22%0.01632%0.317CS..EExtended strand (participates in β ladder)trans-77.6125.4-178.7179.456.2000110.9P172 K174 I180 F182 L278 H282 G284 Y286 V325P172-L323 HydrophobicContact CG-CD1 4.27Å; K174-L323 HydrophobicContact CB-CD1 4.42Å; K174-L323 HydrophobicContact CG-CD1 4.25Å; I180-L323 HydrophobicContact CD1-CD1 3.93Å; I180-L323 HydrophobicContact CG2-CD2 4.42Å; F182-L323 HydrophobicContact CZ-CB 4.03Å; F182-L323 HydrophobicContact CZ-CD2 4.02Å; F182-L323 HydrophobicContact CZ-CG 4.45Å; L278-L323 HydrophobicContact CD2-CD2 3.81Å; H282-L323 HydrophobicContact CB-CD2 4.18Å; H282-L323 WeakPolarHBondContact O-CD2 3.27Å; G284-L323 PolarHBondContact N-O 3.06Å; G284-L323 PolarHBondContact O-N 3.25Å; Y286-L323 HydrophobicContact CD2-CB 4.25Å; Y286-L323 HydrophobicContact CE2-CB 3.99Å; Y286-L323 HydrophobicContact CE2-CD2 4.02Å; L323-V325 HydrophobicContact CD1-CG2 4.25Å; L323-V325 HydrophobicContact CD2-CG2 4.04Å; L323-V325 HydrophobicContact CG-CG2 3.92Å
324T91.8Very high86.7Confident59 Ų5952.5 Ų52.536%0.36228%0.283SS..EExtended strand (participates in β ladder)trans-113.9109.9169.3-54.70000110P172 T173 K174 N283P172-T324 PolarHBondContact O-N 3.04Å; T173-T324 CarbonylContact C-O 3.47Å; T173-T324 VanDerWaalsContact CA-O 3.26Å; T173-T324 WeakPolarHBondContact CA-O 3.4Å; T173-T324 HydrophobicContact CG2-CG2 4.3Å; K174-T324 PolarHBondContact N-O 3.46Å; N283-T324 WeakPolarHBondContact OD1-CA 3.33Å
325V89.7Confident87.4Confident6 Ų654.1 Ų54.14%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-95121.3173.4-171.50000108.8K174 L278 L280 H282 N283 L323K174-V325 CarbonylContact O-C 3.56Å; K174-V325 WeakPolarHBondContact O-CA 3.42Å; L278-V325 HydrophobicContact CB-CG1 4.12Å; L278-V325 HydrophobicContact CB-CG2 4.18Å; L278-V325 HydrophobicContact CD1-CG2 4.49Å; L278-V325 HydrophobicContact CD2-CG2 4.39Å; L280-V325 HydrophobicContact CD2-CB 4.45Å; L280-V325 HydrophobicContact CD2-CG1 4.45Å; L280-V325 WeakPolarHBondContact CD2-O 3.19Å; H282-V325 HydrophobicContact CB-CG2 4.25Å; N283-V325 PolarHBondContact ND2-O 2.95Å; N283-V325 PolarHBondContact OD1-N 3.44Å; L323-V325 HydrophobicContact CD1-CG2 4.25Å; L323-V325 HydrophobicContact CD2-CG2 4.04Å; L323-V325 HydrophobicContact CG-CG2 3.92Å
326K87.8Confident87.7Confident128 Ų12855.1 Ų55.156%0.55730%0.304SS*.EExtended strand (participates in β ladder)trans-73143.1173.1-63178.1177.4178.30110.3T173 K174 W176T173-K326 HydrophobicContact CG2-CD 4.3Å; T173-K326 HydrophobicContact CG2-CG 4Å; K174-K326 PolarHBondContact O-N 3.03Å; W176-K326 WeakPolarHBondContact CB-O 3.44Å; W176-K326 PolarHBondContact N-O 3.32Å; W176-K326 VanDerWaalsContact N-O 3.14Å
327S83.5Confident87.8Confident30 Ų3054.7 Ų54.721%0.2131%0.308CS..PPolyproline II helixtrans-62.9157.8175.256.70000112.5T329 A494S327-T329 PolarHBondContact O-N 3.17Å; S327-A494 WeakPolarHBondContact OG-CB 3.33Å
328R82.6Confident87.7Confident58 Ų5857.1 Ų57.122%0.21932%0.319CS..PPolyproline II helixtrans-64.1129.4179.2-167.2-179.7178-179.2-2.1112.2W176 D330 E360 R496W176-R328 HydrophobicContact CB-CB 4.26Å; W176-R328 HydrophobicContact CD2-CB 4.26Å; W176-R328 HydrophobicContact CD2-CG 4.3Å; W176-R328 HydrophobicContact CE3-CG 4.17Å; W176-R328 HydrophobicContact CG-CB 4.09Å; R328-D330 WeakPolarHBondContact CG-OD1 3.37Å; R328-D330 IonicContact CZ-OD1 3.07Å; R328-D330 IonicContact CZ-OD2 3.69Å; R328-D330 VanDerWaalsContact NE-CG 3.31Å; R328-D330 IonicContact NE-OD1 3.89Å; R328-D330 PolarHBondContact NE-OD1 3.42Å; R328-D330 IonicContact NE-OD2 3.27Å; R328-D330 PolarHBondContact NE-OD2 3.04Å; R328-D330 VanDerWaalsContact NE-OD2 3.14Å; R328-D330 IonicContact NH2-OD2 2.67Å; R328-D330 PolarHBondContact NH2-OD2 3.28Å; R328-E360 HydrophobicContact CB-CB 4.46Å; R328-E360 WeakPolarHBondContact CD-OE2 3.21Å; R328-E360 IonicContact CZ-OE2 3.01Å; R328-E360 PolarHBondContact N-O 3.21Å; R328-E360 IonicContact NE-OE2 3.27Å; R328-E360 IonicContact NH1-OE2 2.78Å; R328-E360 PolarHBondContact NH1-OE2 3.2Å; R328-R496 PolarHBondContact O-NH1 3.3Å
329T79.6Confident87.7Confident120 Ų12059.7 Ų59.774%0.73633%0.329SS*.SBendtrans-92.1-19.2-177.548.30000114.1S327 R496S327-T329 PolarHBondContact O-N 3.17Å; T329-R496 VanDerWaalsContact C-NH1 3.25Å; T329-R496 PolarHBondContact O-NH1 2.56Å
330D79Confident87.7Confident85 Ų8560.5 Ų60.546%0.45533%0.334SS..SBendtrans-107.1-177.1175.769.5-57.9000111.6R328 R496R328-D330 WeakPolarHBondContact CG-OD1 3.37Å; R328-D330 IonicContact CZ-OD1 3.07Å; R328-D330 IonicContact CZ-OD2 3.69Å; R328-D330 VanDerWaalsContact NE-CG 3.31Å; R328-D330 IonicContact NE-OD1 3.89Å; R328-D330 PolarHBondContact NE-OD1 3.42Å; R328-D330 IonicContact NE-OD2 3.27Å; R328-D330 PolarHBondContact NE-OD2 3.04Å; R328-D330 VanDerWaalsContact NE-OD2 3.14Å; R328-D330 IonicContact NH2-OD2 2.67Å; R328-D330 PolarHBondContact NH2-OD2 3.28Å; D330-R496 PolarHBondContact O-NH1 3.07Å
331G78Confident87.7Confident38 Ų3861.7 Ų61.739%0.39234%0.343SS..SBendtrans77.5168.1176.400000115.6R496G331-R496 PolarHBondContact O-NH2 2.79Å
332S82.3Confident87.6Confident71 Ų7166 Ų6650%0.49736%0.364SS..  trans-74.3140.7168.648.40000110.5H338S332-H338 VanDerWaalsContact CB-NE2 3.31Å; S332-H338 WeakPolarHBondContact CB-NE2 3.42Å
333I85.1Confident87.4Confident2 Ų263.9 Ų63.91%0.0137%0.367CS..SBendtrans-86.7-38177.3-52.6-177.9000109.7V356 H361 V490 T492 R496 D498I333-V356 HydrophobicContact CG2-CG1 3.75Å; I333-V356 HydrophobicContact CG2-CG2 4.3Å; I333-H361 HydrophobicContact CG2-CB 4.38Å; I333-V490 HydrophobicContact CG2-CG1 3.78Å; I333-T492 HydrophobicContact CD1-CG2 3.81Å; I333-T492 HydrophobicContact CG2-CG2 3.57Å; I333-R496 HydrophobicContact CD1-CB 3.62Å; I333-D498 WeakPolarHBondContact CA-OD2 3.48Å; I333-D498 HydrophobicContact CB-CB 3.71Å; I333-D498 WeakPolarHBondContact CB-OD2 3.44Å; I333-D498 HydrophobicContact CD1-CB 3.83Å; I333-D498 HydrophobicContact CG1-CB 3.87Å; I333-D498 PolarHBondContact N-OD2 3.29Å
334I87.7Confident87.3Confident1 Ų164.4 Ų64.41%0.00537%0.371CS..BIsolated β-bridgetrans-84.7133179.5-55.4173.6000110.1Q355 V490 D498 K500I334-Q355 WeakPolarHBondContact CA-O 3.11Å; I334-V490 HydrophobicContact CD1-CB 4.19Å; I334-V490 HydrophobicContact CD1-CG2 3.7Å; I334-V490 HydrophobicContact CG1-CB 4.07Å; I334-V490 HydrophobicContact CG1-CG2 3.64Å; I334-D498 HydrophobicContact CD1-CB 4.23Å; I334-D498 HydrophobicContact CG1-CB 4.16Å; I334-D498 PolarHBondContact N-OD2 2.92Å; I334-K500 HydrophobicContact CD1-CB 3.7Å; I334-K500 HydrophobicContact CG2-CB 4.1Å; I334-K500 HydrophobicContact CG2-CD 3.74Å
335E87Confident87.2Confident72 Ų7267.8 Ų67.834%0.33638%0.382SS..  trans-77.3136.7176.1-65-179.3179.600112.2Q355 N357E335-Q355 HydrophobicContact CB-CB 4.46Å; E335-Q355 PolarHBondContact N-O 3.31Å; E335-Q355 WeakPolarHBondContact OE2-CG 3.31Å; E335-Q355 PolarHBondContact OE2-NE2 3.42Å; E335-N357 HydrophobicContact CG-CB 4.44Å; E335-N357 VanDerWaalsContact OE1-CA 3.23Å; E335-N357 WeakPolarHBondContact OE1-CA 3.32Å; E335-N357 VanDerWaalsContact OE1-CB 3.26Å; E335-N357 WeakPolarHBondContact OE1-CB 3.23Å; E335-N357 PolarHBondContact OE1-N 2.9Å
336G86.6Confident87.1Confident55 Ų5569 Ų6957%0.56739%0.393SS*.SBendtrans87.1-160.117500000114.5H338G336-H338 PolarHBondContact O-N 3.42Å
337P89.6Confident87Confident81 Ų8165 Ų6553%0.52639%0.389SS..  trans-72.2129.1-175.727.6-33.4000112I339 I340 K500P337-I339 VanDerWaalsContact C-N 3.3Å; P337-I339 PolarHBondContact O-N 2.91Å; P337-I340 HydrophobicContact CB-CG1 4.39Å; P337-I340 HydrophobicContact CG-CD1 4.11Å; P337-I340 HydrophobicContact CG-CG1 3.94Å; P337-K500 WeakPolarHBondContact O-CE 3.33Å
338H91Very high87.2Confident59 Ų5968.1 Ų68.127%0.27340%0.399SS..SBendtrans-74.6-14.9176.1-73.1-108.7000114.1S332 G336 D498 H499 K500 F501S332-H338 VanDerWaalsContact CB-NE2 3.31Å; S332-H338 WeakPolarHBondContact CB-NE2 3.42Å; G336-H338 PolarHBondContact O-N 3.42Å; H338-D498 IonicContact CE1-OD1 3.39Å; H338-D498 PolarHBondContact CE1-OD1 3.12Å; H338-D498 IonicContact CE1-OD2 3.14Å; H338-D498 PolarHBondContact CE1-OD2 3.19Å; H338-D498 VanDerWaalsContact CE1-OD2 3.31Å; H338-D498 IonicContact ND1-OD1 3.34Å; H338-D498 PolarHBondContact ND1-OD1 2.85Å; H338-H499 PolarHBondContact ND1-O 3.48Å; H338-H499 VanDerWaalsContact ND1-O 3.08Å; H338-K500 CarbonylContact O-C 3.53Å; H338-K500 WeakPolarHBondContact O-CA 3.15Å; H338-F501 PolarHBondContact O-N 3.34Å
339I91.5Very high87.4Confident120 Ų12068.7 Ų68.762%0.61541%0.407SS*.EExtended strand (participates in β ladder)trans-132121.4177.6-56.2177.7000107.8P337 F501P337-I339 VanDerWaalsContact C-N 3.3Å; P337-I339 PolarHBondContact O-N 2.91Å; I339-F501 WeakPolarHBondContact CA-O 3.24Å
340I92.7Very high88Confident32 Ų3263.7 Ų63.716%0.16438%0.378CS..EExtended strand (participates in β ladder)trans-124.2130.4178.8-64.4178.2000107.8P337 E342 K500 F501 V502 Q503P337-I340 HydrophobicContact CB-CG1 4.39Å; P337-I340 HydrophobicContact CG-CD1 4.11Å; P337-I340 HydrophobicContact CG-CG1 3.94Å; I340-E342 HydrophobicContact CG2-CB 4.45Å; I340-E342 HydrophobicContact CG2-CG 3.39Å; I340-K500 VanDerWaalsContact CD1-CE 3.43Å; I340-F501 PolarHBondContact N-O 3.17Å; I340-V502 HydrophobicContact CB-CG1 4.36Å; I340-V502 HydrophobicContact CB-CG2 4.35Å; I340-V502 HydrophobicContact CG2-CG1 4.18Å; I340-V502 CarbonylContact O-C 3.58Å; I340-V502 WeakPolarHBondContact O-CA 3.36Å; I340-Q503 PolarHBondContact O-N 3.38Å
341N93.7Very high88.5Confident123 Ų12362.4 Ų62.466%0.65837%0.37SS*.EExtended strand (participates in β ladder)trans-120114.5176.4-65.5-25.4000108.2Q503N341-Q503 WeakPolarHBondContact OD1-CB 3.08Å
342E91.7Very high89.2Confident95 Ų9561.5 Ų61.544%0.44436%0.356SS..EExtended strand (participates in β ladder)trans-133.9141.5-167.5-76-77.4-170.500112.1I340 F352 Q503 S505I340-E342 HydrophobicContact CG2-CB 4.45Å; I340-E342 HydrophobicContact CG2-CG 3.39Å; E342-F352 HydrophobicContact CB-CE1 3.88Å; E342-F352 HydrophobicContact CB-CZ 4.2Å; E342-F352 HydrophobicContact CG-CE1 3.83Å; E342-Q503 PolarHBondContact N-O 3.07Å; E342-S505 PolarHBondContact O-N 3.2Å
343T91.9Very high89.7Confident104 Ų10462.6 Ų62.664%0.63835%0.353SS*.EExtended strand (participates in β ladder)trans-113.1116-179.555.20000109.8S505T343-S505 WeakPolarHBondContact CA-O 3.47Å
344V90.4Very high90.1Very high14 Ų1462.5 Ų62.59%0.08535%0.352CS..EExtended strand (participates in β ladder)trans-109.1134.1-177.3-175.70000108.9Q348 A350 F352 A478 I504 S505 V506 V507V344-Q348 HydrophobicContact CG1-CB 4.14Å; V344-A350 HydrophobicContact CG1-CB 4.04Å; V344-A350 HydrophobicContact CG2-CB 3.79Å; V344-F352 HydrophobicContact CG2-CZ 4.42Å; V344-A478 HydrophobicContact CB-CB 4.43Å; V344-A478 HydrophobicContact CG1-CB 3.65Å; V344-I504 HydrophobicContact CG2-CG2 4.06Å; V344-S505 PolarHBondContact N-O 3.42Å; V344-S505 VanDerWaalsContact N-O 3.07Å; V344-V506 CarbonylContact O-C 3.34Å; V344-V506 VanDerWaalsContact O-CA 3.26Å; V344-V506 WeakPolarHBondContact O-CA 3.38Å; V344-V507 PolarHBondContact O-N 3.23Å
345E89.7Confident90.2Very high129 Ų12966.2 Ų66.260%0.60337%0.37SS*.EExtended strand (participates in β ladder)trans-75.8140.4174.4-172.4174.8-160.800110.5G347 Q348 V507E345-G347 PolarHBondContact O-N 2.66Å; E345-Q348 HydrophobicContact CB-CG 3.92Å; E345-Q348 VanDerWaalsContact O-CB 3.31Å; E345-Q348 WeakPolarHBondContact O-CB 3.42Å; E345-Q348 PolarHBondContact O-N 3.06Å; E345-V507 CarbonylContact C-O 3.49Å; E345-V507 WeakPolarHBondContact CA-O 3.46Å
346A87.9Confident90.2Very high33 Ų3362.8 Ų62.827%0.27335%0.354SS..THydrogen-bonded Turntrans-60.5131.6-177.700000112.1Q348 A478 V506 V507 G508A346-Q348 VanDerWaalsContact C-N 3.35Å; A346-A478 CarbonylContact C-O 3.52Å; A346-A478 WeakPolarHBondContact CA-O 3.48Å; A346-V506 HydrophobicContact CB-CG1 3.91Å; A346-V507 PolarHBondContact N-O 3.26Å; A346-G508 VanDerWaalsContact CB-O 3.31Å; A346-G508 WeakPolarHBondContact CB-O 3.29Å
347G85.8Confident90Very high44 Ų4461.6 Ų61.645%0.45433%0.334SS..THydrogen-bonded Turntrans85.7-5.6-173.800000115.4E345 A478E345-G347 PolarHBondContact O-N 2.66Å; G347-A478 PolarHBondContact N-O 2.69Å
348Q87Confident89.3Confident94 Ų9460.7 Ų60.744%0.43933%0.328SS..  trans-79.6155.7168.7-64.9-63.8-29.900111.7V344 E345 A346 A478V344-Q348 HydrophobicContact CG1-CB 4.14Å; E345-Q348 HydrophobicContact CB-CG 3.92Å; E345-Q348 VanDerWaalsContact O-CB 3.31Å; E345-Q348 WeakPolarHBondContact O-CB 3.42Å; E345-Q348 PolarHBondContact O-N 3.06Å; A346-Q348 VanDerWaalsContact C-N 3.35Å; Q348-A478 WeakPolarHBondContact O-CB 3.46Å; Q348-A478 PolarHBondContact O-N 3.46Å
349D88.1Confident88.4Confident70 Ų7061.8 Ų61.837%0.37433%0.333SS..  trans-93.5143.3169.6-72.98.2000109.2L475 R476 Q477D349-L475 CarbonylContact C-O 3.59Å; D349-L475 VanDerWaalsContact CA-O 3.27Å; D349-L475 WeakPolarHBondContact CA-O 3.34Å; D349-R476 VanDerWaalsContact OD1-CA 3.31Å; D349-R476 WeakPolarHBondContact OD1-CA 3.46Å; D349-R476 IonicContact OD2-NE 3.77Å; D349-Q477 PolarHBondContact OD1-N 3.49Å
350A90.2Very high87.6Confident15 Ų1557.6 Ų57.612%0.12431%0.312CS..EExtended strand (participates in β ladder)trans-139143.8179.300000111.6V344 F352 L475V344-A350 HydrophobicContact CG1-CB 4.04Å; V344-A350 HydrophobicContact CG2-CB 3.79Å; A350-F352 HydrophobicContact CB-CE2 3.97Å; A350-F352 HydrophobicContact CB-CZ 4.02Å; A350-L475 HydrophobicContact CB-CB 4.41Å; A350-L475 PolarHBondContact N-O 2.78Å; A350-L475 PolarHBondContact O-N 3.27Å
351I91.3Very high86.9Confident59 Ų5956.1 Ų56.130%0.30330%0.304SS..EExtended strand (participates in β ladder)trans-130.1130-176.6-54.9179000110Q472 L473 V474I351-Q472 HydrophobicContact CG2-CB 4.07Å; I351-L473 CarbonylContact C-O 3.51Å; I351-L473 VanDerWaalsContact CA-O 3.32Å; I351-L473 WeakPolarHBondContact CA-O 3.35Å; I351-V474 HydrophobicContact CG1-CG1 4.42Å; I351-V474 HydrophobicContact CG1-CG2 4.38Å; I351-V474 HydrophobicContact CG2-CG2 4.45Å
352F92.8Very high85.8Confident18 Ų1855.6 Ų55.68%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-122.6130176.8-51.8-78.8000110.8E342 V344 A350 W368 Q472 L473 L475 V502 I504E342-F352 HydrophobicContact CB-CE1 3.88Å; E342-F352 HydrophobicContact CB-CZ 4.2Å; E342-F352 HydrophobicContact CG-CE1 3.83Å; V344-F352 HydrophobicContact CG2-CZ 4.42Å; A350-F352 HydrophobicContact CB-CE2 3.97Å; A350-F352 HydrophobicContact CB-CZ 4.02Å; F352-W368 HydrophobicContact CB-CH2 4.13Å; F352-W368 WeakPolarHBondContact O-CZ2 3.34Å; F352-Q472 CarbonylContact O-C 3.6Å; F352-Q472 VanDerWaalsContact O-CA 3.31Å; F352-Q472 WeakPolarHBondContact O-CA 3.25Å; F352-L473 HydrophobicContact CB-CB 4.29Å; F352-L473 HydrophobicContact CD2-CB 4.48Å; F352-L473 HydrophobicContact CD2-CD2 4Å; F352-L473 HydrophobicContact CD2-CG 4.2Å; F352-L473 PolarHBondContact N-O 2.84Å; F352-L473 PolarHBondContact O-N 2.86Å; F352-L475 HydrophobicContact CD2-CD1 4.44Å; F352-L475 HydrophobicContact CE2-CD1 4.21Å; F352-V502 HydrophobicContact CB-CG2 4.31Å; F352-V502 HydrophobicContact CD1-CG1 3.75Å; F352-V502 HydrophobicContact CD2-CG1 4.2Å; F352-V502 HydrophobicContact CE1-CG1 3.99Å; F352-V502 HydrophobicContact CE2-CG1 4.41Å; F352-V502 HydrophobicContact CG-CG1 3.87Å; F352-V502 HydrophobicContact CZ-CG1 4.3Å; F352-I504 HydrophobicContact CD2-CD1 4Å; F352-I504 HydrophobicContact CE2-CD1 3.38Å; F352-I504 HydrophobicContact CE2-CG1 4.08Å; F352-I504 HydrophobicContact CZ-CD1 3.99Å; F352-I504 HydrophobicContact CZ-CG1 4.19Å
353H91.8Very high84.6Confident95 Ų9554.6 Ų54.644%0.4430%0.296SS..EExtended strand (participates in β ladder)trans-97.2137.4-174.2-63.2-93.8000112.3Q472 K500H353-Q472 PolarHBondContact CE1-NE2 3.5Å; H353-K500 WeakPolarHBondContact O-CE 3.32Å; H353-K500 PolarHBondContact O-NZ 3.48Å
354C92.6Very high83.7Confident0 Ų050.1 Ų50.10%027%0.269CS..EExtended strand (participates in β ladder)trans-123.8124165.7-165.20000107.9I366 W368 S470 S471 C488C354-I366 HydrophobicContact CB-CG2 4.39Å; C354-W368 HydrophobicContact CB-CH2 4.07Å; C354-W368 HydrophobicContact CB-CZ2 3.45Å; C354-W368 VanDerWaalsContact CB-CZ2 3.45Å; C354-S470 CarbonylContact O-C 3.47Å; C354-S470 VanDerWaalsContact O-CA 3.28Å; C354-S470 WeakPolarHBondContact O-CA 3.25Å; C354-S470 PolarHBondContact O-OG 3.03Å; C354-S471 PolarHBondContact N-O 3.43Å; C354-S471 PolarHBondContact O-N 3.2Å; C354-C488 HydrophobicContact CB-CB 3.67Å; C354-C488 WeakPolarHBondContact CB-SG 3.48Å; C354-C488 WeakPolarHBondContact SG-CB 3.33Å; C354-C488 CovalentContact SG-SG 2.03Å; C354-C488 PolarHBondContact SG-SG 2.74Å
355Q90.4Very high83.5Confident79 Ų7952.7 Ų52.737%0.36929%0.285SS..EExtended strand (participates in β ladder)trans-139.4143.8-173.1-180170.8-34.200108.4I334 E335I334-Q355 WeakPolarHBondContact CA-O 3.11Å; E335-Q355 HydrophobicContact CB-CB 4.46Å; E335-Q355 PolarHBondContact N-O 3.31Å; E335-Q355 WeakPolarHBondContact OE2-CG 3.31Å; E335-Q355 PolarHBondContact OE2-NE2 3.42Å
356V87.4Confident83.5Confident0 Ų047.1 Ų47.10%026%0.259CS..BIsolated β-bridgetrans-124.7133.5-178.7173.30000108I333 P358 H361 I366 Q469 V490I333-V356 HydrophobicContact CG2-CG1 3.75Å; I333-V356 HydrophobicContact CG2-CG2 4.3Å; V356-P358 WeakPolarHBondContact O-CD 3.49Å; V356-P358 VanDerWaalsContact O-N 3.16Å; V356-H361 HydrophobicContact CG1-CB 3.87Å; V356-I366 HydrophobicContact CG2-CD1 3.85Å; V356-I366 HydrophobicContact CG2-CG1 4.41Å; V356-Q469 HydrophobicContact CB-CB 4.18Å; V356-Q469 PolarHBondContact N-O 2.86Å; V356-V490 HydrophobicContact CG2-CB 4.39Å; V356-V490 HydrophobicContact CG2-CG1 3.53Å; V356-V490 HydrophobicContact CG2-CG2 3.98Å
357N81.5Confident83.7Confident30 Ų3050.1 Ų50.116%0.1626%0.263CS..  trans-67.4112.5179.9-173.4-6.2000110.5E335 E359 E360 H361E335-N357 HydrophobicContact CG-CB 4.44Å; E335-N357 VanDerWaalsContact OE1-CA 3.23Å; E335-N357 WeakPolarHBondContact OE1-CA 3.32Å; E335-N357 VanDerWaalsContact OE1-CB 3.26Å; E335-N357 WeakPolarHBondContact OE1-CB 3.23Å; E335-N357 PolarHBondContact OE1-N 2.9Å; N357-E359 PolarHBondContact O-N 3.23Å; N357-E359 WeakPolarHBondContact OD1-CB 3.44Å; N357-E359 PolarHBondContact OD1-N 3.48Å; N357-E360 HydrophobicContact CB-CB 4.27Å; N357-E360 HydrophobicContact CB-CG 4.41Å; N357-E360 PolarHBondContact ND2-OE1 2.86Å; N357-E360 PolarHBondContact O-N 3.16Å; N357-H361 PolarHBondContact O-N 2.86Å
358P76.4Confident84.1Confident62 Ų6248.1 Ų48.140%0.40324%0.242SC..THydrogen-bonded Turntrans-69.3-16.7-179.431.1-36.8000113.5V356V356-P358 WeakPolarHBondContact O-CD 3.49Å; V356-P358 VanDerWaalsContact O-N 3.16Å
359E71.4Confident84.4Confident81 Ų8143.6 Ų43.638%0.37922%0.221SC..THydrogen-bonded Turntrans-79-22.8177.6-58.5179.817700112.5W176 L280 N357W176-E359 PolarHBondContact NE1-O 2.75Å; L280-E359 WeakPolarHBondContact CB-O 3.31Å; L280-E359 PolarHBondContact N-O 3.23Å; N357-E359 PolarHBondContact O-N 3.23Å; N357-E359 WeakPolarHBondContact OD1-CB 3.44Å; N357-E359 PolarHBondContact OD1-N 3.48Å
360E75.9Confident84.7Confident33 Ų3341.9 Ų41.915%0.15421%0.21CC..THydrogen-bonded Turntrans-103.5-31.9-179.5-68-177.9-115.700112.8W176 L280 R328 N357W176-E360 HydrophobicContact CZ2-CG 3.9Å; L280-E360 VanDerWaalsContact CD1-C 3.42Å; L280-E360 VanDerWaalsContact CD1-O 3.23Å; L280-E360 WeakPolarHBondContact CD1-O 3.25Å; R328-E360 HydrophobicContact CB-CB 4.46Å; R328-E360 WeakPolarHBondContact CD-OE2 3.21Å; R328-E360 IonicContact CZ-OE2 3.01Å; R328-E360 PolarHBondContact N-O 3.21Å; R328-E360 IonicContact NE-OE2 3.27Å; R328-E360 IonicContact NH1-OE2 2.78Å; R328-E360 PolarHBondContact NH1-OE2 3.2Å; N357-E360 HydrophobicContact CB-CB 4.27Å; N357-E360 HydrophobicContact CB-CG 4.41Å; N357-E360 PolarHBondContact ND2-OE1 2.86Å; N357-E360 PolarHBondContact O-N 3.16Å
361H76.7Confident84.8Confident1 Ų143.2 Ų43.21%0.00522%0.219CC..  trans-132123.9-175.5-59.2-63.9000113.3I333 V356 N357 Q469 T492I333-H361 HydrophobicContact CG2-CB 4.38Å; V356-H361 HydrophobicContact CG1-CB 3.87Å; N357-H361 PolarHBondContact O-N 2.86Å; H361-Q469 PolarHBondContact O-NE2 2.92Å; H361-T492 HydrophobicContact CB-CG2 3.91Å
362R71.5Confident84.8Confident112 Ų11241 Ų4142%0.42321%0.207SC..SBendtrans-80.6138.7171.8-96.3166.8-175.6-123.5-7.3111.3L280 S364 E493L280-R362 HydrophobicContact CD1-CB 4.23Å; L280-R362 HydrophobicContact CD1-CG 3.96Å; L280-R362 PolarHBondContact O-NH2 3.02Å; R362-S364 PolarHBondContact O-N 2.76Å; R362-E493 PolarHBondContact O-N 3.17Å
363S66.1Low84.5Confident73 Ų7345.8 Ų45.851%0.5123%0.233SC..SBendtrans49.555.4160.2-37.50000113.3E493S363-E493 PolarHBondContact OG-OE2 3.35Å
364S73.1Confident84.1Confident10 Ų1047.1 Ų47.17%0.0724%0.244CC..  trans-72.9130.8173.668.40000111.6R362 Q469 L491R362-S364 PolarHBondContact O-N 2.76Å; S364-Q469 VanDerWaalsContact CB-OE1 3.23Å; S364-Q469 PolarHBondContact OG-OE1 2.98Å; S364-L491 WeakPolarHBondContact CA-O 3.4Å
365T86.6Confident83.7Confident69 Ų6954.5 Ų54.542%0.42328%0.283SS..EExtended strand (participates in β ladder)trans-84.7126.2163.2570000107.7V490 L491T365-V490 WeakPolarHBondContact O-CA 3.42Å; T365-L491 PolarHBondContact N-O 2.94Å; T365-L491 PolarHBondContact O-N 3.17Å; T365-L491 PolarHBondContact OG1-O 3.1Å
366I89.9Confident83.4Confident11 Ų1154.7 Ų54.76%0.05628%0.284CS..EExtended strand (participates in β ladder)trans-118.1124.7-178.6-50-175.7000107.8C354 V356 V465 Q469 C488 V490C354-I366 HydrophobicContact CB-CG2 4.39Å; V356-I366 HydrophobicContact CG2-CD1 3.85Å; V356-I366 HydrophobicContact CG2-CG1 4.41Å; I366-V465 HydrophobicContact CB-CG1 4.48Å; I366-V465 HydrophobicContact CB-CG2 3.82Å; I366-V465 HydrophobicContact CD1-CG1 4.05Å; I366-V465 HydrophobicContact CG1-CG1 4.18Å; I366-V465 HydrophobicContact CG1-CG2 4.36Å; I366-Q469 VanDerWaalsContact CD1-O 3.24Å; I366-Q469 WeakPolarHBondContact CD1-O 3.22Å; I366-C488 WeakPolarHBondContact CG2-SG 3.48Å; I366-V490 HydrophobicContact CB-CG2 4.46Å; I366-V490 HydrophobicContact CG1-CG2 4.08Å; I366-V490 HydrophobicContact CG2-CG2 4.07Å
367R92.2Very high83.3Confident97 Ų9758.7 Ų58.737%0.36630%0.3SS..EExtended strand (participates in β ladder)trans-131.6150176-68.9-174.5171.3-159.2-1.5110.4E386 W390 C488 S489R367-E386 IonicContact CZ-OE1 3.6Å; R367-E386 IonicContact CZ-OE2 3.74Å; R367-E386 IonicContact NH1-OE1 3.72Å; R367-E386 PolarHBondContact NH1-OE1 2.69Å; R367-E386 IonicContact NH1-OE2 3.76Å; R367-E386 PolarHBondContact NH1-OE2 3.38Å; R367-E386 IonicContact NH2-OE1 3.09Å; R367-W390 HydrophobicContact CB-CH2 3.68Å; R367-W390 HydrophobicContact CB-CZ2 3.99Å; R367-C488 CarbonylContact O-C 3.57Å; R367-C488 WeakPolarHBondContact O-CA 3.31Å; R367-S489 PolarHBondContact N-O 3.25Å; R367-S489 PolarHBondContact O-N 3.28Å
368W93.8Very high83.4Confident1 Ų163.5 Ų63.50%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-110.6146.3171.9-67.887.9000110.9F352 C354 L398 A462 S471 L473 V487 C488 V502F352-W368 HydrophobicContact CB-CH2 4.13Å; F352-W368 WeakPolarHBondContact O-CZ2 3.34Å; C354-W368 HydrophobicContact CB-CH2 4.07Å; C354-W368 HydrophobicContact CB-CZ2 3.45Å; C354-W368 VanDerWaalsContact CB-CZ2 3.45Å; W368-L398 HydrophobicContact CB-CB 4.47Å; W368-L398 HydrophobicContact CB-CD1 4.14Å; W368-L398 PolarHBondContact O-N 3.44Å; W368-A462 HydrophobicContact CB-CB 4Å; W368-A462 HydrophobicContact CG-CB 4.16Å; W368-S471 PolarHBondContact NE1-OG 3.39Å; W368-L473 HydrophobicContact CD2-CB 3.75Å; W368-L473 HydrophobicContact CE3-CB 3.76Å; W368-L473 HydrophobicContact CE3-CD2 3.93Å; W368-L473 HydrophobicContact CE3-CG 4.37Å; W368-L473 HydrophobicContact CG-CB 4.41Å; W368-L473 HydrophobicContact CH2-CB 3.8Å; W368-L473 HydrophobicContact CZ2-CB 3.8Å; W368-L473 HydrophobicContact CZ3-CB 3.79Å; W368-L473 HydrophobicContact CZ3-CD2 3.9Å; W368-L473 HydrophobicContact CZ3-CG 4.5Å; W368-V487 CarbonylContact C-O 3.57Å; W368-V487 VanDerWaalsContact CA-O 3.28Å; W368-V487 WeakPolarHBondContact CA-O 3.2Å; W368-C488 HydrophobicContact CD2-CB 3.91Å; W368-C488 HydrophobicContact CE3-CB 3.76Å; W368-C488 HydrophobicContact CH2-CB 3.92Å; W368-C488 HydrophobicContact CZ2-CB 4.04Å; W368-C488 HydrophobicContact CZ3-CB 3.77Å; W368-V502 HydrophobicContact CH2-CG2 4.38Å; W368-V502 HydrophobicContact CZ3-CG2 4.03Å
369G93.4Very high83.8Confident0 Ų063.1 Ų63.10%033%0.326CS..EExtended strand (participates in β ladder)trans-142159.5169.800000112.9V396 Y486 V487G369-V396 CarbonylContact C-O 3.58Å; G369-V396 WeakPolarHBondContact CA-O 3.35Å; G369-Y486 CarbonylContact O-C 3.55Å; G369-Y486 VanDerWaalsContact O-CA 3.28Å; G369-Y486 WeakPolarHBondContact O-CA 3.4Å; G369-V487 PolarHBondContact N-O 2.9Å; G369-V487 PolarHBondContact O-N 3.46Å
370K93.8Very high84.5Confident34 Ų3461.2 Ų61.215%0.14832%0.316CS..EExtended strand (participates in β ladder)trans-107.5134.8173.1-172.3-177.5-175.3178.30109.4I372 F395 V396 L398 S481 Y486K370-I372 PolarHBondContact O-N 3.21Å; K370-F395 VanDerWaalsContact C-CD1 3.46Å; K370-F395 CarbonylContact O-C 3.53Å; K370-F395 VanDerWaalsContact O-CA 3.24Å; K370-F395 WeakPolarHBondContact O-CA 3.24Å; K370-V396 HydrophobicContact CB-CG1 4.08Å; K370-V396 PolarHBondContact N-O 3.21Å; K370-V396 PolarHBondContact O-N 2.79Å; K370-L398 HydrophobicContact CB-CD2 4.35Å; K370-S481 PolarHBondContact NZ-O 2.53Å; K370-Y486 HydrophobicContact CB-CD1 3.96Å; K370-Y486 HydrophobicContact CB-CE1 3.76Å; K370-Y486 HydrophobicContact CD-CE1 3.91Å; K370-Y486 HydrophobicContact CD-CE2 4.48Å; K370-Y486 WeakPolarHBondContact CD-OH 3.38Å; K370-Y486 WeakPolarHBondContact CE-OH 3.32Å; K370-Y486 HydrophobicContact CG-CD1 4.16Å; K370-Y486 HydrophobicContact CG-CE1 3.74Å; K370-Y486 HydrophobicContact CG-CE2 4.28Å
371S93Very high85Confident43 Ų4363.3 Ų63.330%0.30133%0.326SS..EExtended strand (participates in β ladder)trans-62.3133.4177.262.10000110.1F395 R485S371-F395 VanDerWaalsContact N-CD1 3.3Å; S371-R485 WeakPolarHBondContact CB-O 3.15Å; S371-R485 PolarHBondContact N-O 3.01Å; S371-R485 PolarHBondContact OG-N 2.89Å; S371-R485 PolarHBondContact OG-O 3.03Å; S371-R485 VanDerWaalsContact OG-O 3.1Å
372I90.9Very high85.2Confident11 Ų1167.4 Ų67.46%0.05636%0.36CS..  trans-123.6149.6174.262.2175.3000109.8K370 E376 R377 Y380 V387 T394 V396K370-I372 PolarHBondContact O-N 3.21Å; I372-E376 HydrophobicContact CB-CB 4.4Å; I372-R377 HydrophobicContact CD1-CB 4.29Å; I372-Y380 HydrophobicContact CB-CD2 4.46Å; I372-Y380 HydrophobicContact CB-CE2 4.3Å; I372-Y380 HydrophobicContact CD1-CD2 3.98Å; I372-Y380 HydrophobicContact CD1-CG 4.28Å; I372-Y380 HydrophobicContact CG2-CD2 4.03Å; I372-Y380 HydrophobicContact CG2-CE1 4.45Å; I372-Y380 HydrophobicContact CG2-CE2 3.64Å; I372-V387 HydrophobicContact CD1-CG1 3.85Å; I372-V387 HydrophobicContact CD1-CG2 3.95Å; I372-T394 HydrophobicContact CD1-CG2 3.99Å; I372-T394 HydrophobicContact CG1-CG2 3.76Å; I372-T394 PolarHBondContact N-O 2.86Å; I372-V396 HydrophobicContact CD1-CB 4.49Å; I372-V396 HydrophobicContact CG2-CB 4.1Å; I372-V396 HydrophobicContact CG2-CG1 3.76Å
373D87.2Confident85.8Confident119 Ų11967.9 Ų67.964%0.63637%0.367SS*.  trans-75153.3173.8-78-34000110.9N375 E376 R377D373-N375 PolarHBondContact O-N 3.47Å; D373-E376 HydrophobicContact CB-CG 4.27Å; D373-E376 PolarHBondContact N-OE2 3.25Å; D373-E376 WeakPolarHBondContact O-CB 2.99Å; D373-E376 PolarHBondContact O-N 2.71Å; D373-R377 PolarHBondContact O-N 3.15Å
374N83.3Confident86.6Confident124 Ų12467.7 Ų67.766%0.66338%0.377SS*.THydrogen-bonded Turntrans-56.9-27180-75.9-17.5000113.4
375N84.3Confident87.2Confident154 Ų15472.7 Ų72.782%0.82439%0.394SS*.THydrogen-bonded Turntrans-73-30.7176.4-63.8-19.7000112.5D373D373-N375 PolarHBondContact O-N 3.47Å
376E83.3Confident87.3Confident83 Ų8373.7 Ų73.739%0.38839%0.394SS..THydrogen-bonded Turntrans-80.9-27.8-178.9-57.7-174.713300112I372 D373 L378 A379 Y380I372-E376 HydrophobicContact CB-CB 4.4Å; D373-E376 HydrophobicContact CB-CG 4.27Å; D373-E376 PolarHBondContact N-OE2 3.25Å; D373-E376 WeakPolarHBondContact O-CB 2.99Å; D373-E376 PolarHBondContact O-N 2.71Å; E376-L378 PolarHBondContact O-N 3.44Å; E376-L378 VanDerWaalsContact O-N 3.1Å; E376-A379 WeakPolarHBondContact O-CA 3.43Å; E376-A379 WeakPolarHBondContact O-CB 2.98Å; E376-A379 PolarHBondContact O-N 3.06Å; E376-Y380 HydrophobicContact CB-CD2 3.93Å; E376-Y380 HydrophobicContact CB-CE2 3.84Å; E376-Y380 WeakPolarHBondContact O-CD2 3.36Å; E376-Y380 PolarHBondContact O-N 3.44Å; E376-Y380 VanDerWaalsContact O-N 3.14Å
377R85.2Confident87.3Confident85 Ų8574.2 Ų74.232%0.32140%0.398SS..Hα-helixtrans-43.2-48.1-178.6175.6172.7179.3162.98.5113.5I372 D373 A379 Y380 E381 V387I372-R377 HydrophobicContact CD1-CB 4.29Å; D373-R377 PolarHBondContact O-N 3.15Å; R377-A379 VanDerWaalsContact C-N 3.3Å; R377-A379 PolarHBondContact O-N 3.21Å; R377-Y380 PolarHBondContact O-N 3.12Å; R377-E381 HydrophobicContact CG-CG 4.32Å; R377-E381 IonicContact CZ-OE1 2.71Å; R377-E381 IonicContact NE-OE1 2.99Å; R377-E381 PolarHBondContact NE-OE1 3.42Å; R377-E381 IonicContact NE-OE2 3.06Å; R377-E381 IonicContact NH2-OE1 3.95Å; R377-E381 PolarHBondContact NH2-OE1 2.99Å; R377-E381 WeakPolarHBondContact O-CB 3.45Å; R377-E381 WeakPolarHBondContact O-CG 3.26Å; R377-E381 PolarHBondContact O-N 3.31Å; R377-V387 HydrophobicContact CG-CG1 4.26Å
378L83.6Confident87.1Confident131 Ų13171.7 Ų71.769%0.68639%0.391SS*.Hα-helixtrans-64.2-32.1-179.3-68.4172.7000113.1E376 A382E376-L378 PolarHBondContact O-N 3.44Å; E376-L378 VanDerWaalsContact O-N 3.1Å; L378-A382 WeakPolarHBondContact O-CB 3.39Å; L378-A382 PolarHBondContact O-N 3.29Å
379A85.5Confident86.7Confident53 Ų5378 Ų7844%0.43842%0.421SS..Hα-helixtrans-72.2-46.4175.800000111E376 R377 E381 A382 E383E376-A379 WeakPolarHBondContact O-CA 3.43Å; E376-A379 WeakPolarHBondContact O-CB 2.98Å; E376-A379 PolarHBondContact O-N 3.06Å; R377-A379 VanDerWaalsContact C-N 3.3Å; R377-A379 PolarHBondContact O-N 3.21Å; A379-E381 PolarHBondContact O-N 3.47Å; A379-A382 PolarHBondContact O-N 3.35Å; A379-E383 WeakPolarHBondContact O-CG 3.38Å; A379-E383 PolarHBondContact O-N 3.25Å
380Y85.4Confident86.4Confident41 Ų4179.5 Ų79.516%0.16143%0.426CS..Hα-helixtrans-62.5-42.5176.8-77.3-87.2000112.4I372 E376 R377 E383 G384 R385 V396I372-Y380 HydrophobicContact CB-CD2 4.46Å; I372-Y380 HydrophobicContact CB-CE2 4.3Å; I372-Y380 HydrophobicContact CD1-CD2 3.98Å; I372-Y380 HydrophobicContact CD1-CG 4.28Å; I372-Y380 HydrophobicContact CG2-CD2 4.03Å; I372-Y380 HydrophobicContact CG2-CE1 4.45Å; I372-Y380 HydrophobicContact CG2-CE2 3.64Å; E376-Y380 HydrophobicContact CB-CD2 3.93Å; E376-Y380 HydrophobicContact CB-CE2 3.84Å; E376-Y380 WeakPolarHBondContact O-CD2 3.36Å; E376-Y380 PolarHBondContact O-N 3.44Å; E376-Y380 VanDerWaalsContact O-N 3.14Å; R377-Y380 PolarHBondContact O-N 3.12Å; Y380-E383 PolarHBondContact O-N 3.09Å; Y380-G384 PolarHBondContact O-N 3.41Å; Y380-R385 HydrophobicContact CD1-CB 4.45Å; Y380-R385 WeakPolarHBondContact O-CB 3.48Å; Y380-R385 PolarHBondContact O-N 2.83Å; Y380-V396 HydrophobicContact CD1-CB 3.91Å; Y380-V396 HydrophobicContact CD1-CG1 4.16Å; Y380-V396 HydrophobicContact CD1-CG2 3.61Å; Y380-V396 HydrophobicContact CE1-CB 4.15Å; Y380-V396 HydrophobicContact CE1-CG1 3.86Å; Y380-V396 HydrophobicContact CE1-CG2 4.07Å; Y380-V396 HydrophobicContact CG-CB 4.45Å; Y380-V396 HydrophobicContact CG-CG2 4.39Å
381E85.4Confident85.8Confident77 Ų7781.1 Ų81.136%0.3645%0.446SS..Hα-helixtrans-66.4-38.5175.5-72.7176.3166.100111.9R377 A379 E383 G384 V387R377-E381 HydrophobicContact CG-CG 4.32Å; R377-E381 IonicContact CZ-OE1 2.71Å; R377-E381 IonicContact NE-OE1 2.99Å; R377-E381 PolarHBondContact NE-OE1 3.42Å; R377-E381 IonicContact NE-OE2 3.06Å; R377-E381 IonicContact NH2-OE1 3.95Å; R377-E381 PolarHBondContact NH2-OE1 2.99Å; R377-E381 WeakPolarHBondContact O-CB 3.45Å; R377-E381 WeakPolarHBondContact O-CG 3.26Å; R377-E381 PolarHBondContact O-N 3.31Å; A379-E381 PolarHBondContact O-N 3.47Å; E381-E383 VanDerWaalsContact C-N 3.33Å; E381-E383 PolarHBondContact O-N 3.26Å; E381-G384 PolarHBondContact O-N 2.96Å; E381-V387 HydrophobicContact CG-CB 4.16Å; E381-V387 HydrophobicContact CG-CG2 3.94Å
382A81.8Confident85.3Confident88 Ų8883.2 Ų83.273%0.72747%0.474SS*.Hα-helixtrans-68.8-28.5176.500000113.7L378 A379 G384L378-A382 WeakPolarHBondContact O-CB 3.39Å; L378-A382 PolarHBondContact O-N 3.29Å; A379-A382 PolarHBondContact O-N 3.35Å; A382-G384 PolarHBondContact O-N 2.84Å
383E84.1Confident85.1Confident121 Ų12183.9 Ų83.957%0.56548%0.484SS*.THydrogen-bonded Turntrans-75.9-2.6169.6-70.7171.6174.400113.2A379 Y380 E381 R385A379-E383 WeakPolarHBondContact O-CG 3.38Å; A379-E383 PolarHBondContact O-N 3.25Å; Y380-E383 PolarHBondContact O-N 3.09Å; E381-E383 VanDerWaalsContact C-N 3.33Å; E381-E383 PolarHBondContact O-N 3.26Å; E383-R385 VanDerWaalsContact C-N 3.34Å; E383-R385 HydrophobicContact CB-CG 4.32Å; E383-R385 IonicContact OE1-NH2 2.69Å; E383-R385 IonicContact OE2-CZ 3.58Å; E383-R385 IonicContact OE2-NE 2.78Å; E383-R385 PolarHBondContact OE2-NE 3.15Å; E383-R385 IonicContact OE2-NH2 2.66Å; E383-R385 PolarHBondContact OE2-NH2 2.96Å
384G83.2Confident85.3Confident70 Ų7079 Ų7972%0.72246%0.459SS*.THydrogen-bonded Turntrans75.717.8-177.900000114.3Y380 E381 A382Y380-G384 PolarHBondContact O-N 3.41Å; E381-G384 PolarHBondContact O-N 2.96Å; A382-G384 PolarHBondContact O-N 2.84Å
385R85Confident85.8Confident114 Ų11473.4 Ų73.443%0.4343%0.428SS..  trans-81.3137.5175.2-59.9-160.5-100.5178.4-1110.3Y380 E383 V387 V396Y380-R385 HydrophobicContact CD1-CB 4.45Å; Y380-R385 WeakPolarHBondContact O-CB 3.48Å; Y380-R385 PolarHBondContact O-N 2.83Å; E383-R385 VanDerWaalsContact C-N 3.34Å; E383-R385 HydrophobicContact CB-CG 4.32Å; E383-R385 IonicContact OE1-NH2 2.69Å; E383-R385 IonicContact OE2-CZ 3.58Å; E383-R385 IonicContact OE2-NE 2.78Å; E383-R385 PolarHBondContact OE2-NE 3.15Å; E383-R385 IonicContact OE2-NH2 2.66Å; E383-R385 PolarHBondContact OE2-NH2 2.96Å; R385-V387 PolarHBondContact O-N 2.8Å; R385-V396 HydrophobicContact CB-CG2 3.89Å
386E89.4Confident86.1Confident90 Ų9066.3 Ų66.342%0.42139%0.391SS..  trans-69.7120.3179.4-172.1-177.4-157.700109.7R367 I388 V397R367-E386 IonicContact CZ-OE1 3.6Å; R367-E386 IonicContact CZ-OE2 3.74Å; R367-E386 IonicContact NH1-OE1 3.72Å; R367-E386 PolarHBondContact NH1-OE1 2.69Å; R367-E386 IonicContact NH1-OE2 3.76Å; R367-E386 PolarHBondContact NH1-OE2 3.38Å; R367-E386 IonicContact NH2-OE1 3.09Å; E386-I388 HydrophobicContact CG-CD1 4.08Å; E386-I388 HydrophobicContact CG-CG1 4.03Å; E386-V397 HydrophobicContact CB-CB 4.15Å; E386-V397 HydrophobicContact CB-CG2 4.06Å; E386-V397 HydrophobicContact CG-CB 4.46Å; E386-V397 HydrophobicContact CG-CG2 3.88Å; E386-V397 PolarHBondContact O-N 2.84Å
387V88.7Confident86.5Confident23 Ų2363.5 Ų63.514%0.13938%0.379CS..EExtended strand (participates in β ladder)trans-113.7125.4176.5178.10000109.1I372 R377 E381 R385 T394 F395I372-V387 HydrophobicContact CD1-CG1 3.85Å; I372-V387 HydrophobicContact CD1-CG2 3.95Å; R377-V387 HydrophobicContact CG-CG1 4.26Å; E381-V387 HydrophobicContact CG-CB 4.16Å; E381-V387 HydrophobicContact CG-CG2 3.94Å; R385-V387 PolarHBondContact O-N 2.8Å; V387-T394 HydrophobicContact CG1-CG2 3.47Å; V387-T394 VanDerWaalsContact CG1-CG2 3.47Å; V387-F395 CarbonylContact C-O 3.54Å; V387-F395 WeakPolarHBondContact CA-O 3.45Å
388I87.9Confident86.8Confident43 Ų4360.4 Ų60.422%0.22137%0.369CS..EExtended strand (participates in β ladder)trans-126.8150-175.7-56.1-178.7000109.8E386 W390 F395 V397E386-I388 HydrophobicContact CG-CD1 4.08Å; E386-I388 HydrophobicContact CG-CG1 4.03Å; I388-W390 HydrophobicContact CB-CD2 4.39Å; I388-W390 HydrophobicContact CB-CZ2 4.3Å; I388-W390 HydrophobicContact CD1-CH2 4.26Å; I388-W390 HydrophobicContact CD1-CZ2 3.75Å; I388-W390 HydrophobicContact CG2-CD2 4.09Å; I388-W390 HydrophobicContact CG2-CG 4.21Å; I388-W390 HydrophobicContact CG2-CZ2 4.18Å; I388-F395 PolarHBondContact N-O 3.02Å; I388-F395 PolarHBondContact O-N 2.93Å; I388-V397 HydrophobicContact CB-CG2 4.42Å; I388-V397 HydrophobicContact CD1-CG2 3.5Å; I388-V397 VanDerWaalsContact CD1-CG2 3.5Å; I388-V397 HydrophobicContact CG1-CG2 3.74Å
389Q87.4Confident87Confident134 Ų13458 Ų5863%0.62636%0.361SS*.EExtended strand (participates in β ladder)trans-92.8120.8167.7-70.1-178.1-18.800110.4G393Q389-G393 VanDerWaalsContact CA-O 3.29Å; Q389-G393 WeakPolarHBondContact CA-O 3.34Å
390W86.6Confident86.9Confident32 Ų3259 Ų5912%0.12136%0.364CS..EExtended strand (participates in β ladder)trans-129.9134176.8-72.3-39.2000109.3R367 I388 G392 G393 F395 V397 V487R367-W390 HydrophobicContact CB-CH2 3.68Å; R367-W390 HydrophobicContact CB-CZ2 3.99Å; I388-W390 HydrophobicContact CB-CD2 4.39Å; I388-W390 HydrophobicContact CB-CZ2 4.3Å; I388-W390 HydrophobicContact CD1-CH2 4.26Å; I388-W390 HydrophobicContact CD1-CZ2 3.75Å; I388-W390 HydrophobicContact CG2-CD2 4.09Å; I388-W390 HydrophobicContact CG2-CG 4.21Å; I388-W390 HydrophobicContact CG2-CZ2 4.18Å; W390-G392 PolarHBondContact O-N 3.34Å; W390-G393 PolarHBondContact N-O 2.9Å; W390-G393 PolarHBondContact O-N 2.95Å; W390-F395 HydrophobicContact CB-CD2 4.05Å; W390-F395 HydrophobicContact CB-CE2 4.31Å; W390-F395 HydrophobicContact CE3-CB 3.94Å; W390-F395 HydrophobicContact CE3-CD2 4.48Å; W390-F395 HydrophobicContact CE3-CG 4.25Å; W390-F395 HydrophobicContact CZ3-CB 4.38Å; W390-F395 WeakPolarHBondContact O-CE2 3.5Å; W390-V397 HydrophobicContact CH2-CG2 3.86Å; W390-V397 HydrophobicContact CZ3-CG2 4.36Å; W390-V487 HydrophobicContact CD2-CG1 4.46Å; W390-V487 HydrophobicContact CE3-CG1 3.56Å; W390-V487 HydrophobicContact CZ3-CG1 4.18Å
391A81.8Confident86.9Confident67 Ų6758.3 Ų58.355%0.55437%0.365SS*.THydrogen-bonded Turntrans47.235.2-179.600000114.9G393 F501A391-G393 VanDerWaalsContact C-N 3.31Å; A391-G393 PolarHBondContact O-N 2.8Å; A391-F501 HydrophobicContact CB-CE1 4.36Å; A391-F501 HydrophobicContact CB-CZ 3.67Å
392G82.6Confident86.5Confident87 Ų8756.8 Ų56.890%0.89736%0.362SS*.THydrogen-bonded Turntrans78.8-0.6-179.200000116.2W390W390-G392 PolarHBondContact O-N 3.34Å
393G86.6Confident86Confident26 Ų2654.3 Ų54.327%0.26834%0.34SS..EExtended strand (participates in β ladder)trans-103159.7172.500000112.9Q389 W390 A391 F395Q389-G393 VanDerWaalsContact CA-O 3.29Å; Q389-G393 WeakPolarHBondContact CA-O 3.34Å; W390-G393 PolarHBondContact N-O 2.9Å; W390-G393 PolarHBondContact O-N 2.95Å; A391-G393 VanDerWaalsContact C-N 3.31Å; A391-G393 PolarHBondContact O-N 2.8Å; G393-F395 WeakPolarHBondContact O-CD2 3.45Å
394T91.5Very high84.9Confident16 Ų1652.6 Ų52.610%0.09834%0.341CS..EExtended strand (participates in β ladder)trans-94.1127.1173.1-52.60000109.5I372 V387I372-T394 HydrophobicContact CD1-CG2 3.99Å; I372-T394 HydrophobicContact CG1-CG2 3.76Å; I372-T394 PolarHBondContact N-O 2.86Å; V387-T394 HydrophobicContact CG1-CG2 3.47Å; V387-T394 VanDerWaalsContact CG1-CG2 3.47Å
395F92.2Very high83.8Confident6 Ų653.1 Ų53.13%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-130.7137.4-177.5-65.8-96.2000111.3K370 S371 V387 I388 W390 G393 V487 F501K370-F395 VanDerWaalsContact C-CD1 3.46Å; K370-F395 CarbonylContact O-C 3.53Å; K370-F395 VanDerWaalsContact O-CA 3.24Å; K370-F395 WeakPolarHBondContact O-CA 3.24Å; S371-F395 VanDerWaalsContact N-CD1 3.3Å; V387-F395 CarbonylContact C-O 3.54Å; V387-F395 WeakPolarHBondContact CA-O 3.45Å; I388-F395 PolarHBondContact N-O 3.02Å; I388-F395 PolarHBondContact O-N 2.93Å; W390-F395 HydrophobicContact CB-CD2 4.05Å; W390-F395 HydrophobicContact CB-CE2 4.31Å; W390-F395 HydrophobicContact CE3-CB 3.94Å; W390-F395 HydrophobicContact CE3-CD2 4.48Å; W390-F395 HydrophobicContact CE3-CG 4.25Å; W390-F395 HydrophobicContact CZ3-CB 4.38Å; W390-F395 WeakPolarHBondContact O-CE2 3.5Å; G393-F395 WeakPolarHBondContact O-CD2 3.45Å; F395-V487 HydrophobicContact CB-CG1 4.5Å; F395-V487 HydrophobicContact CD1-CB 4.15Å; F395-V487 HydrophobicContact CD1-CG1 3.37Å; F395-V487 HydrophobicContact CD2-CG1 4.09Å; F395-V487 HydrophobicContact CE1-CB 3.72Å; F395-V487 HydrophobicContact CE1-CG1 3.45Å; F395-V487 VanDerWaalsContact CE1-CG1 3.45Å; F395-V487 HydrophobicContact CE2-CG1 4.15Å; F395-V487 HydrophobicContact CG-CG1 3.74Å; F395-V487 HydrophobicContact CZ-CB 4.02Å; F395-V487 HydrophobicContact CZ-CG1 3.85Å; F395-F501 HydrophobicContact CZ-CE1 4.28Å
396V92.3Very high82.4Confident6 Ų648.4 Ų48.44%0.03631%0.312CS..EExtended strand (participates in β ladder)trans-81.9130.6162.763.50000109G369 K370 I372 Y380 R385G369-V396 CarbonylContact C-O 3.58Å; G369-V396 WeakPolarHBondContact CA-O 3.35Å; K370-V396 HydrophobicContact CB-CG1 4.08Å; K370-V396 PolarHBondContact N-O 3.21Å; K370-V396 PolarHBondContact O-N 2.79Å; I372-V396 HydrophobicContact CD1-CB 4.49Å; I372-V396 HydrophobicContact CG2-CB 4.1Å; I372-V396 HydrophobicContact CG2-CG1 3.76Å; Y380-V396 HydrophobicContact CD1-CB 3.91Å; Y380-V396 HydrophobicContact CD1-CG1 4.16Å; Y380-V396 HydrophobicContact CD1-CG2 3.61Å; Y380-V396 HydrophobicContact CE1-CB 4.15Å; Y380-V396 HydrophobicContact CE1-CG1 3.86Å; Y380-V396 HydrophobicContact CE1-CG2 4.07Å; Y380-V396 HydrophobicContact CG-CB 4.45Å; Y380-V396 HydrophobicContact CG-CG2 4.39Å; R385-V396 HydrophobicContact CB-CG2 3.89Å
397V91.6Very high80.7Confident23 Ų2347.9 Ų47.914%0.13931%0.312CS..EExtended strand (participates in β ladder)trans-71.7131.4176.6-175.10000109.4E386 I388 W390E386-V397 HydrophobicContact CB-CB 4.15Å; E386-V397 HydrophobicContact CB-CG2 4.06Å; E386-V397 HydrophobicContact CG-CB 4.46Å; E386-V397 HydrophobicContact CG-CG2 3.88Å; E386-V397 PolarHBondContact O-N 2.84Å; I388-V397 HydrophobicContact CB-CG2 4.42Å; I388-V397 HydrophobicContact CD1-CG2 3.5Å; I388-V397 VanDerWaalsContact CD1-CG2 3.5Å; I388-V397 HydrophobicContact CG1-CG2 3.74Å; W390-V397 HydrophobicContact CH2-CG2 3.86Å; W390-V397 HydrophobicContact CZ3-CG2 4.36Å
398L91.2Very high78.5Confident21 Ų2152.9 Ų52.911%0.1134%0.338CS..PPolyproline II helixtrans-80.6143.6177.3-63.9179.3000110.9W368 K370 A460 A462 L473 Y486W368-L398 HydrophobicContact CB-CB 4.47Å; W368-L398 HydrophobicContact CB-CD1 4.14Å; W368-L398 PolarHBondContact O-N 3.44Å; K370-L398 HydrophobicContact CB-CD2 4.35Å; L398-A460 HydrophobicContact CD1-CB 4.4Å; L398-A462 HydrophobicContact CB-CB 4.23Å; L398-L473 HydrophobicContact CD1-CD1 3.42Å; L398-L473 VanDerWaalsContact CD1-CD1 3.42Å; L398-Y486 HydrophobicContact CD1-CD1 3.94Å; L398-Y486 HydrophobicContact CD1-CE1 3.99Å
399P86.8Confident76.5Confident79 Ų7957.8 Ų57.851%0.51336%0.355SS..PPolyproline II helixtrans-63.5137.9175.527.5-34.1000110.6V461 A462P399-V461 WeakPolarHBondContact O-CG1 3.43Å; P399-A462 PolarHBondContact O-N 2.88Å
400S84.7Confident74.5Confident74 Ų7455.2 Ų55.252%0.51735%0.346SS..EExtended strand (participates in β ladder)trans-90.8130.8174.256.40000111.4A462S400-A462 CarbonylContact C-O 3.5Å; S400-A462 VanDerWaalsContact CA-O 3.28Å; S400-A462 WeakPolarHBondContact CA-O 3.31Å
401V83.8Confident72.3Confident27 Ų2758.2 Ų58.216%0.16437%0.371CS..EExtended strand (participates in β ladder)trans-115.4147.5171.1-61.20000111.2S403 L456 V461 A462 T463 E464V401-S403 PolarHBondContact O-N 3.28Å; V401-L456 HydrophobicContact CB-CD2 4.13Å; V401-L456 HydrophobicContact CG1-CD2 3.98Å; V401-L456 HydrophobicContact CG2-CD2 3.87Å; V401-V461 HydrophobicContact CB-CG1 4.27Å; V401-V461 HydrophobicContact CG1-CG1 3.6Å; V401-V461 HydrophobicContact CG2-CG1 3.75Å; V401-A462 PolarHBondContact N-O 3.14Å; V401-T463 CarbonylContact O-C 3.54Å; V401-T463 VanDerWaalsContact O-CA 3.27Å; V401-T463 WeakPolarHBondContact O-CA 3.35Å; V401-E464 PolarHBondContact O-N 2.81Å
402S77.6Confident70.2Confident45 Ų4560.5 Ų60.532%0.31537%0.374SS..  trans-57.8135.8177.8-52.50000112.1S404 L405 E464S402-S404 PolarHBondContact O-N 3.25Å; S402-L405 WeakPolarHBondContact O-CB 3.49Å; S402-L405 PolarHBondContact O-N 2.82Å; S402-E464 WeakPolarHBondContact CA-OE2 3.46Å; S402-E464 VanDerWaalsContact CB-OE2 3.23Å; S402-E464 WeakPolarHBondContact CB-OE2 3.37Å; S402-E464 PolarHBondContact OG-OE1 3.02Å; S402-E464 PolarHBondContact OG-OE2 2.78Å
403S70.7Confident68Low36 Ų3662.1 Ų62.125%0.25236%0.36SS..Hα-helixtrans-58.5-26.2-171.9-30.60000112.9V401 A406 L407 E464V401-S403 PolarHBondContact O-N 3.28Å; S403-A406 PolarHBondContact O-N 2.88Å; S403-L407 WeakPolarHBondContact O-CB 3.33Å; S403-L407 VanDerWaalsContact O-CG 3.3Å; S403-L407 WeakPolarHBondContact O-CG 3.41Å; S403-L407 PolarHBondContact O-N 2.82Å; S403-E464 PolarHBondContact OG-O 2.97Å
404S61.7Low65.3Low85 Ų8565.7 Ų65.759%0.59438%0.378SS*.Hα-helixtrans-61.9-37.8173.252.40000113.5S402 N408S402-S404 PolarHBondContact O-N 3.25Å; S404-N408 VanDerWaalsContact O-CB 3.31Å; S404-N408 WeakPolarHBondContact O-CB 3.29Å; S404-N408 PolarHBondContact O-N 2.99Å; S404-N408 VanDerWaalsContact O-N 3.16Å
405L59.7Low62.5Low81 Ų8170.9 Ų70.942%0.42442%0.415SS..Hα-helixtrans-70.7-37.7177.7-67.6169.2000111.4S402 L456S402-L405 WeakPolarHBondContact O-CB 3.49Å; S402-L405 PolarHBondContact O-N 2.82Å; L405-L456 HydrophobicContact CB-CD2 4.13Å
406A56.3Low59.6Low15 Ų1576.8 Ų76.812%0.12445%0.447CS..Hα-helixtrans-70.8-38.1176.200000112.9S403 T463 V474S403-A406 PolarHBondContact O-N 2.88Å; A406-T463 HydrophobicContact CB-CG2 3.46Å; A406-T463 VanDerWaalsContact CB-CG2 3.46Å; A406-V474 HydrophobicContact CB-CG2 4.35Å
407L52.4Low56.8Low80 Ų8083.8 Ų83.842%0.41949%0.485SS..Hα-helixtrans-83.7-20.7-175.5-71.8169.8000114.7S403 Y409 N410S403-L407 WeakPolarHBondContact O-CB 3.33Å; S403-L407 VanDerWaalsContact O-CG 3.3Å; S403-L407 WeakPolarHBondContact O-CG 3.41Å; S403-L407 PolarHBondContact O-N 2.82Å; L407-Y409 PolarHBondContact O-N 3.23Å; L407-N410 PolarHBondContact O-N 3.42Å
408N44.4Very low53.9Low128 Ų12890.1 Ų90.168%0.68452%0.517SS*.THydrogen-bonded Turntrans-70.913.7-176.9-159.425.4000114.7S404S404-N408 VanDerWaalsContact O-CB 3.31Å; S404-N408 WeakPolarHBondContact O-CB 3.29Å; S404-N408 PolarHBondContact O-N 2.99Å; S404-N408 VanDerWaalsContact O-N 3.16Å
409Y44.1Very low51.1Low146 Ų14698.7 Ų98.757%0.57355%0.554SS**THydrogen-bonded Turntrans-118.5-13.9168.4-136-96.9000113.4L407 S411 N412L407-Y409 PolarHBondContact O-N 3.23Å; Y409-S411 PolarHBondContact O-N 2.88Å; Y409-N412 PolarHBondContact O-N 2.73Å; Y409-N412 VanDerWaalsContact O-N 3.1Å
410N45.1Very low48.5Very low80 Ų80101.2 Ų101.243%0.42857%0.57SS.*G310 helixtrans-66.6-18.3178.4-85.5-0.2000113.2L407 N412L407-N410 PolarHBondContact O-N 3.42Å; N410-N412 PolarHBondContact O-N 3.14Å
411S41.3Very low46.2Very low95 Ų95102.9 Ų102.966%0.66458%0.582SS**G310 helixtrans-72.6-7.2173.555.60000114.3Y409Y409-S411 PolarHBondContact O-N 2.88Å
412N36.8Very low43.7Very low115 Ų115111.1 Ų111.162%0.61562%0.615SS**G310 helixtrans-112.44.2179-74.2-10.7000113.8Y409 N410Y409-N412 PolarHBondContact O-N 2.73Å; Y409-N412 VanDerWaalsContact O-N 3.1Å; N410-N412 PolarHBondContact O-N 3.14Å
413M37.1Very low41.7Very low121 Ų121117 Ų11760%0.59664%0.642SS**SBendtrans-87.1126.6169-99.9-70.5-168.200109.6S415M413-S415 PolarHBondContact O-N 3.27Å; M413-S415 VanDerWaalsContact O-N 3.14Å
414P31.2Very low39.8Very low100 Ų100121.3 Ų121.365%0.64967%0.672SS**  trans-67.2111.5169-12.327.1000109D416P414-D416 PolarHBondContact O-N 2.96Å
415S31.8Very low38.7Very low126 Ų126121.5 Ų121.588%0.88168%0.679SS**  trans-77.652.6174.739.20000112.1M413M413-S415 PolarHBondContact O-N 3.27Å; M413-S415 VanDerWaalsContact O-N 3.14Å
416D31.9Very low37.7Very low130 Ų130125 Ų12570%0.69570%0.697SS**  trans-97.4134.1170.2-75.7-40.6000110.1P414P414-D416 PolarHBondContact O-N 2.96Å
417N31.7Very low36.7Very low153 Ų153135.2 Ų135.282%0.81873%0.733SS**SBendtrans82.272.3179-43.6-59.1000117.7
418L31.7Very low35.9Very low156 Ų156137.3 Ų137.382%0.81775%0.751SS**SBend-161.138.9127.2-133.877000117.9
419F32.9Very low35.6Very low201 Ų201136.7 Ų136.788%0.88276%0.757SS**  trans-146.989.7163.8-80.7-70.7000113.2S421F419-S421 PolarHBondContact O-N 2.81Å; F419-S421 VanDerWaalsContact O-N 3.16Å
420P31.9Very low35.5Very low132 Ų132134.6 Ų134.686%0.85776%0.764SS**  trans-85.476.9169.834.1-31.9000111
421S35.1Very low35.2Very low109 Ų109136.3 Ų136.376%0.76278%0.782SS**  trans-81.7120.3165.3-72.20000110.1F419 L423F419-S421 PolarHBondContact O-N 2.81Å; F419-S421 VanDerWaalsContact O-N 3.16Å; S421-L423 PolarHBondContact O-N 3.18Å
422K31.3Very low35.1Very low199 Ų199136.4 Ų136.487%0.86578%0.782SS**SBendtrans-16.5117.6172.5-65.8169.1175.21730116.1
423L35.9Very low35.3Very low169 Ų169136 Ų13689%0.88579%0.789SS**  -171.3123.3120.8-126.470.4000111.3S421S421-L423 PolarHBondContact O-N 3.18Å
424S32.5Very low35.4Very low126 Ų126136 Ų13688%0.88180%0.8SS**  trans-123.399.4177-51.40000110.4
425A37.6Very low35.6Very low90 Ų90135.1 Ų135.174%0.74480%0.802SS**  trans-165.6124163.400000114
426L38.5Very low35.9Very low154 Ų154137 Ų13781%0.80680%0.801SS**  trans80.888.2145-60.2162.3000121.7
427R36.2Very low36.2Very low229 Ų229135.7 Ų135.786%0.86480%0.802SS**  79.7121.7113.4-143.2173.8-163.3153.52.5120.5
428P35.2Very low36.4Very low125 Ų125134 Ų13481%0.81280%0.802SS**  trans-112.8156.4176.840.3-32.6000116
429S38.2Very low36.8Very low115 Ų115132.6 Ų132.680%0.80481%0.805SS**  trans-178.1148.3166.851.30000109.1
430S41.2Very low37.1Very low102 Ų102128.9 Ų128.971%0.71380%0.804SS**  cis178.9161.8-14.347.80000108.8
431S40.1Very low37.4Very low115 Ų115128.1 Ų128.180%0.80480%0.803SS**  trans67.8156.7173.773.90000116.6
432S39Very low37.4Very low97 Ų97129 Ų12968%0.67881%0.808SS**  cis-158.9126.28.38.10000108.6
433S39.6Very low37.6Very low107 Ų107124.6 Ų124.675%0.74880%0.803SS**  74.8138.690.174.90000118.8
434S39.7Very low37.5Very low120 Ų120122.7 Ų122.784%0.83980%0.804SS**  trans83.3160.2167.778.90000119.2
435A34.9Very low37.8Very low83 Ų83121.5 Ų121.569%0.68680%0.795SS**  -179.2158.2-60.600000111.1
436L39Very low37.6Very low166 Ų166123.3 Ų123.387%0.86980%0.803SS**  trans88.8146.8154.7-69.2147.8000123.2
437S38.4Very low37.5Very low102 Ų102120.9 Ų120.971%0.71380%0.799SS**  trans77.681.615243.80000121.9
438S36.4Very low37.3Very low117 Ų117115.7 Ų115.782%0.81880%0.797SS**  14.1127.4120.6590000120.5
439S40.1Very low37.3Very low126 Ų126115 Ų11588%0.88180%0.795SS**  trans-151.4139130.448.80000110.6
440S37.5Very low37.1Very low123 Ų123114.8 Ų114.886%0.8679%0.794SS**  trans-100.5128.2-176.351.60000111.3
441S39.1Very low36.7Very low117 Ų117115.1 Ų115.182%0.81880%0.796SS**  trans-144.4116.2158.554.80000110
442S34.9Very low36.3Very low126 Ų126116.1 Ų116.188%0.88180%0.797SS**  trans-81121.9178.149.60000111.1
443S36.2Very low36.1Very low108 Ų108115.8 Ų115.876%0.75580%0.8SS**  trans-137.9104.2161.658.10000109.5S445S443-S445 PolarHBondContact O-N 3.43Å
444S33.8Very low36.2Very low129 Ų129113.6 Ų113.690%0.90279%0.789SS**  trans-69.4114.6175.549.70000111.1
445S39.3Very low36.6Very low101 Ų101112.5 Ų112.571%0.70679%0.787SS**  trans-132.890.316459.50000109.3S443 S447S443-S445 PolarHBondContact O-N 3.43Å; S445-S447 VanDerWaalsContact C-N 3.32Å; S445-S447 PolarHBondContact O-N 3.15Å
446S32.5Very low37.5Very low128 Ų128109.9 Ų109.990%0.89576%0.761SS**  trans-71.383.7173.551.40000110.4S448S446-S448 PolarHBondContact O-N 3.03Å
447S36.2Very low38.5Very low103 Ų103105.4 Ų105.472%0.7274%0.742SS**  trans-86.7102.1169.855.70000109.7S445 S449S445-S447 VanDerWaalsContact C-N 3.32Å; S445-S447 PolarHBondContact O-N 3.15Å; S447-S449 PolarHBondContact O-N 2.83Å; S447-S449 VanDerWaalsContact O-N 3.1Å
448S31.7Very low39.7Very low120 Ų120107.2 Ų107.284%0.83974%0.743SS**  trans-62.8102.6177.250.40000112.2S446S446-S448 PolarHBondContact O-N 3.03Å
449S35.4Very low41.6Very low109 Ų109102.1 Ų102.176%0.76271%0.709SS**  trans-82.6116161.248.80000109.2S447 S451S447-S449 PolarHBondContact O-N 2.83Å; S447-S449 VanDerWaalsContact O-N 3.1Å; S449-S451 PolarHBondContact O-N 2.8Å
450S35.1Very low43.7Very low111 Ų11196.9 Ų96.978%0.77667%0.673SS**  trans-69.394.2-177.253.90000111.7V452S450-V452 PolarHBondContact O-N 2.81Å
451S31Very low46.2Very low110 Ų11091.4 Ų91.477%0.76964%0.635SS**  trans-76.685.5174.657.80000111.2S449 A453S449-S451 PolarHBondContact O-N 2.8Å; S451-A453 PolarHBondContact O-N 3.42Å
452V33.4Very low48.6Very low135 Ų13586 Ų8682%0.81860%0.597SS**  trans-78.459.5164.7-165.90000109.4S450 A454S450-V452 PolarHBondContact O-N 2.81Å; V452-A454 PolarHBondContact O-N 3.27Å
453A33.1Very low51.2Low90 Ų9080.2 Ų80.274%0.74456%0.557SS**  trans-76.781.2165.300000107.4S451 A455S451-A453 PolarHBondContact O-N 3.42Å; A453-A455 PolarHBondContact O-N 3.37Å
454A41.6Very low53.5Low62 Ų6279.1 Ų79.151%0.51254%0.54SS..  trans-58.2111.3175.100000108.6V452 L456V452-A454 PolarHBondContact O-N 3.27Å; A454-L456 PolarHBondContact O-N 3Å
455A47.8Very low55.8Low97 Ų9776 Ų7680%0.80252%0.515SS*.  trans-64.5107.6178.400000108.7A453A453-A455 PolarHBondContact O-N 3.37Å
456L54.2Low57.7Low28 Ų2872.9 Ų72.915%0.14749%0.493CS..PPolyproline II helixtrans-52.4140.7167.8-72166.5000109V401 L405 A454V401-L456 HydrophobicContact CB-CD2 4.13Å; V401-L456 HydrophobicContact CG1-CD2 3.98Å; V401-L456 HydrophobicContact CG2-CD2 3.87Å; L405-L456 HydrophobicContact CB-CD2 4.13Å; A454-L456 PolarHBondContact O-N 3Å
457P61Low59.6Low72 Ų7273.2 Ų73.247%0.46850%0.495SS..PPolyproline II helixtrans-51.8142174.9-24.433000111.5V461P457-V461 HydrophobicContact CB-CG2 4.2Å; P457-V461 HydrophobicContact CG-CG2 4.36Å
458L63.8Low61.4Low139 Ų13971.5 Ų71.573%0.72848%0.483SS*.SBendtrans-68.5142.8165.8-75.586.5000109.1
459G75.5Confident63.9Low10 Ų1066.9 Ų66.910%0.10345%0.449CS..EExtended strand (participates in β ladder)trans103.8-158.9-176.800000113.9R476 D482G459-R476 PolarHBondContact N-O 3.5Å; G459-R476 PolarHBondContact O-N 3.41Å; G459-R476 VanDerWaalsContact O-N 3.15Å; G459-D482 WeakPolarHBondContact CA-OD1 3.45Å
460A85Confident66.3Low16 Ų1662.1 Ų62.113%0.13242%0.415CS..EExtended strand (participates in β ladder)trans-85.4126-177.200000113.6L398 L473 L475 D482 Y486L398-A460 HydrophobicContact CD1-CB 4.4Å; A460-L473 HydrophobicContact CB-CD1 4.24Å; A460-L475 HydrophobicContact CB-CD1 3.9Å; A460-L475 HydrophobicContact CB-CG 3.96Å; A460-D482 PolarHBondContact N-OD1 2.86Å; A460-Y486 HydrophobicContact CB-CE1 3.75Å
461V89.1Confident69Low8 Ų857 Ų575%0.04838%0.379CS..EExtended strand (participates in β ladder)trans-135.7144.9-178.3-177.50000109.9P399 V401 P457 V474P399-V461 WeakPolarHBondContact O-CG1 3.43Å; V401-V461 HydrophobicContact CB-CG1 4.27Å; V401-V461 HydrophobicContact CG1-CG1 3.6Å; V401-V461 HydrophobicContact CG2-CG1 3.75Å; P457-V461 HydrophobicContact CB-CG2 4.2Å; P457-V461 HydrophobicContact CG-CG2 4.36Å; V461-V474 PolarHBondContact N-O 2.01Å; V461-V474 PolarHBondContact O-N 3.01Å
462A90.7Very high71.9Confident4 Ų453.5 Ų53.53%0.03335%0.351CS..EExtended strand (participates in β ladder)trans-94152.1175.400000111.3W368 L398 P399 S400 V401 Q472W368-A462 HydrophobicContact CB-CB 4Å; W368-A462 HydrophobicContact CG-CB 4.16Å; L398-A462 HydrophobicContact CB-CB 4.23Å; P399-A462 PolarHBondContact O-N 2.88Å; S400-A462 CarbonylContact C-O 3.5Å; S400-A462 VanDerWaalsContact CA-O 3.28Å; S400-A462 WeakPolarHBondContact CA-O 3.31Å; V401-A462 PolarHBondContact N-O 3.14Å; A462-Q472 CarbonylContact C-O 3.6Å; A462-Q472 WeakPolarHBondContact CA-O 3.48Å
463T88.4Confident74.7Confident5 Ų547 Ų473%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-93.6146.5167.4600000112V401 A406 S471 Q472 V474V401-T463 CarbonylContact O-C 3.54Å; V401-T463 VanDerWaalsContact O-CA 3.27Å; V401-T463 WeakPolarHBondContact O-CA 3.35Å; A406-T463 HydrophobicContact CB-CG2 3.46Å; A406-T463 VanDerWaalsContact CB-CG2 3.46Å; T463-S471 PolarHBondContact O-OG 3.36Å; T463-Q472 HydrophobicContact CG2-CB 4.26Å; T463-Q472 PolarHBondContact N-O 2.77Å; T463-Q472 WeakPolarHBondContact OG1-CA 3.46Å; T463-Q472 WeakPolarHBondContact OG1-CB 3.06Å; T463-Q472 PolarHBondContact OG1-N 3Å; T463-Q472 PolarHBondContact OG1-O 3.04Å; T463-V474 HydrophobicContact CG2-CG2 4.12Å
464E85.3Confident77.5Confident85 Ų8543.5 Ų43.540%0.39728%0.281SS..PPolyproline II helixtrans-54.9146.5170.4-72.2174.3167.200111.3V401 S402 S403 S466V401-E464 PolarHBondContact O-N 2.81Å; S402-E464 WeakPolarHBondContact CA-OE2 3.46Å; S402-E464 VanDerWaalsContact CB-OE2 3.23Å; S402-E464 WeakPolarHBondContact CB-OE2 3.37Å; S402-E464 PolarHBondContact OG-OE1 3.02Å; S402-E464 PolarHBondContact OG-OE2 2.78Å; S403-E464 PolarHBondContact OG-O 2.97Å; E464-S466 PolarHBondContact O-N 3.4Å
465V82Confident79.9Confident63 Ų6340.5 Ų40.538%0.38226%0.256SS..PPolyproline II helixtrans-66.6116.8-178.2-168.90000109.7I366I366-V465 HydrophobicContact CB-CG1 4.48Å; I366-V465 HydrophobicContact CB-CG2 3.82Å; I366-V465 HydrophobicContact CD1-CG1 4.05Å; I366-V465 HydrophobicContact CG1-CG1 4.18Å; I366-V465 HydrophobicContact CG1-CG2 4.36Å
466S79.2Confident81.7Confident36 Ų3639 Ų3925%0.25223%0.23SC..PPolyproline II helixtrans-67.1161.117656.80000112.3E464 S468 Q469 S470E464-S466 PolarHBondContact O-N 3.4Å; S466-S468 PolarHBondContact O-N 2.96Å; S466-S468 VanDerWaalsContact O-N 3.09Å; S466-S468 PolarHBondContact OG-OG 2.9Å; S466-Q469 PolarHBondContact O-N 2.83Å; S466-S470 WeakPolarHBondContact CB-O 3.38Å; S466-S470 PolarHBondContact N-O 2.79Å; S466-S470 WeakPolarHBondContact OG-CA 3.36Å; S466-S470 WeakPolarHBondContact OG-CB 3.49Å; S466-S470 PolarHBondContact OG-N 2.85Å; S466-S470 VanDerWaalsContact OG-N 3.11Å; S466-S470 PolarHBondContact OG-O 3.41Å
467S73Confident83.1Confident134 Ų13443.2 Ų43.294%0.93725%0.249SC*.THydrogen-bonded Turntrans-59.2-19.7175.452.70000114.1Q469S467-Q469 VanDerWaalsContact C-N 3.3Å
468S73.4Confident84.4Confident67 Ų6739.9 Ų39.947%0.46923%0.227SC..THydrogen-bonded Turntrans-89.920.7172.655.30000113.6S466 S470S466-S468 PolarHBondContact O-N 2.96Å; S466-S468 VanDerWaalsContact O-N 3.09Å; S466-S468 PolarHBondContact OG-OG 2.9Å; S468-S470 VanDerWaalsContact C-N 3.31Å; S468-S470 PolarHBondContact O-N 2.91Å
469Q83.4Confident85.6Confident24 Ų2435.1 Ų35.111%0.11221%0.206CC..SBendtrans50.446.4-178.3-57.9-167.156.200113.4V356 H361 S364 I366 S466 S467V356-Q469 HydrophobicContact CB-CB 4.18Å; V356-Q469 PolarHBondContact N-O 2.86Å; H361-Q469 PolarHBondContact O-NE2 2.92Å; S364-Q469 VanDerWaalsContact CB-OE1 3.23Å; S364-Q469 PolarHBondContact OG-OE1 2.98Å; I366-Q469 VanDerWaalsContact CD1-O 3.24Å; I366-Q469 WeakPolarHBondContact CD1-O 3.22Å; S466-Q469 PolarHBondContact O-N 2.83Å; S467-Q469 VanDerWaalsContact C-N 3.3Å
470S87.1Confident86.2Confident9 Ų940.1 Ų40.16%0.06323%0.226CC..EExtended strand (participates in β ladder)trans-125.8140173.6-177.30000111.9C354 S466 S468C354-S470 CarbonylContact O-C 3.47Å; C354-S470 VanDerWaalsContact O-CA 3.28Å; C354-S470 WeakPolarHBondContact O-CA 3.25Å; C354-S470 PolarHBondContact O-OG 3.03Å; S466-S470 WeakPolarHBondContact CB-O 3.38Å; S466-S470 PolarHBondContact N-O 2.79Å; S466-S470 WeakPolarHBondContact OG-CA 3.36Å; S466-S470 WeakPolarHBondContact OG-CB 3.49Å; S466-S470 PolarHBondContact OG-N 2.85Å; S466-S470 VanDerWaalsContact OG-N 3.11Å; S466-S470 PolarHBondContact OG-O 3.41Å; S468-S470 VanDerWaalsContact C-N 3.31Å; S468-S470 PolarHBondContact O-N 2.91Å
471S90.5Very high86.2Confident2 Ų243.5 Ų43.51%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-131.1150.5171.3173.50000109.5C354 W368 T463C354-S471 PolarHBondContact N-O 3.43Å; C354-S471 PolarHBondContact O-N 3.2Å; W368-S471 PolarHBondContact NE1-OG 3.39Å; T463-S471 PolarHBondContact O-OG 3.36Å
472Q92Very high86.3Confident37 Ų3743.8 Ų43.817%0.17325%0.25CS..EExtended strand (participates in β ladder)trans-124.6134.1-175-52178.3100109.8I351 F352 H353 A462 T463 V474I351-Q472 HydrophobicContact CG2-CB 4.07Å; F352-Q472 CarbonylContact O-C 3.6Å; F352-Q472 VanDerWaalsContact O-CA 3.31Å; F352-Q472 WeakPolarHBondContact O-CA 3.25Å; H353-Q472 PolarHBondContact CE1-NE2 3.5Å; A462-Q472 CarbonylContact C-O 3.6Å; A462-Q472 WeakPolarHBondContact CA-O 3.48Å; T463-Q472 HydrophobicContact CG2-CB 4.26Å; T463-Q472 PolarHBondContact N-O 2.77Å; T463-Q472 WeakPolarHBondContact OG1-CA 3.46Å; T463-Q472 WeakPolarHBondContact OG1-CB 3.06Å; T463-Q472 PolarHBondContact OG1-N 3Å; T463-Q472 PolarHBondContact OG1-O 3.04Å; Q472-V474 HydrophobicContact CB-CG2 4.49Å
473L93.1Very high86.3Confident0 Ų045.1 Ų45.10%026%0.259CS..EExtended strand (participates in β ladder)trans-86.7121.4165171.562.6000108.1I351 F352 W368 L398 A460 L475 Y486 I504I351-L473 CarbonylContact C-O 3.51Å; I351-L473 VanDerWaalsContact CA-O 3.32Å; I351-L473 WeakPolarHBondContact CA-O 3.35Å; F352-L473 HydrophobicContact CB-CB 4.29Å; F352-L473 HydrophobicContact CD2-CB 4.48Å; F352-L473 HydrophobicContact CD2-CD2 4Å; F352-L473 HydrophobicContact CD2-CG 4.2Å; F352-L473 PolarHBondContact N-O 2.84Å; F352-L473 PolarHBondContact O-N 2.86Å; W368-L473 HydrophobicContact CD2-CB 3.75Å; W368-L473 HydrophobicContact CE3-CB 3.76Å; W368-L473 HydrophobicContact CE3-CD2 3.93Å; W368-L473 HydrophobicContact CE3-CG 4.37Å; W368-L473 HydrophobicContact CG-CB 4.41Å; W368-L473 HydrophobicContact CH2-CB 3.8Å; W368-L473 HydrophobicContact CZ2-CB 3.8Å; W368-L473 HydrophobicContact CZ3-CB 3.79Å; W368-L473 HydrophobicContact CZ3-CD2 3.9Å; W368-L473 HydrophobicContact CZ3-CG 4.5Å; L398-L473 HydrophobicContact CD1-CD1 3.42Å; L398-L473 VanDerWaalsContact CD1-CD1 3.42Å; A460-L473 HydrophobicContact CB-CD1 4.24Å; L473-L475 HydrophobicContact CD1-CD1 3.97Å; L473-L475 HydrophobicContact CD2-CD1 4.05Å; L473-L475 HydrophobicContact CG-CD1 3.71Å; L473-Y486 HydrophobicContact CD1-CD1 4.22Å; L473-Y486 HydrophobicContact CD1-CE1 4.41Å; L473-Y486 HydrophobicContact CD2-CD1 3.66Å; L473-Y486 HydrophobicContact CD2-CD2 4.47Å; L473-Y486 HydrophobicContact CD2-CE1 4.34Å; L473-Y486 HydrophobicContact CD2-CG 3.72Å; L473-I504 HydrophobicContact CD2-CD1 4.3Å
474V91.8Very high86.5Confident15 Ų1545.8 Ų45.89%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-114.5119.1179.5-1770000108.7I351 A406 V461 T463 Q472 R476I351-V474 HydrophobicContact CG1-CG1 4.42Å; I351-V474 HydrophobicContact CG1-CG2 4.38Å; I351-V474 HydrophobicContact CG2-CG2 4.45Å; A406-V474 HydrophobicContact CB-CG2 4.35Å; V461-V474 PolarHBondContact N-O 2.01Å; V461-V474 PolarHBondContact O-N 3.01Å; T463-V474 HydrophobicContact CG2-CG2 4.12Å; Q472-V474 HydrophobicContact CB-CG2 4.49Å; V474-R476 HydrophobicContact CG1-CG 3.98Å
475L90.7Very high86.9Confident0 Ų047.8 Ų47.80%027%0.271CS..EExtended strand (participates in β ladder)trans-98.8126.1167.9-82.567.4000107.9D349 A350 F352 A460 L473 D482 I504D349-L475 CarbonylContact C-O 3.59Å; D349-L475 VanDerWaalsContact CA-O 3.27Å; D349-L475 WeakPolarHBondContact CA-O 3.34Å; A350-L475 HydrophobicContact CB-CB 4.41Å; A350-L475 PolarHBondContact N-O 2.78Å; A350-L475 PolarHBondContact O-N 3.27Å; F352-L475 HydrophobicContact CD2-CD1 4.44Å; F352-L475 HydrophobicContact CE2-CD1 4.21Å; A460-L475 HydrophobicContact CB-CD1 3.9Å; A460-L475 HydrophobicContact CB-CG 3.96Å; L473-L475 HydrophobicContact CD1-CD1 3.97Å; L473-L475 HydrophobicContact CD2-CD1 4.05Å; L473-L475 HydrophobicContact CG-CD1 3.71Å; L475-D482 HydrophobicContact CD2-CB 3.93Å; L475-I504 HydrophobicContact CD1-CD1 3.78Å; L475-I504 HydrophobicContact CD2-CD1 3.63Å; L475-I504 HydrophobicContact CD2-CG2 4.03Å; L475-I504 HydrophobicContact CG-CD1 4.38Å
476R86.2Confident87.5Confident64 Ų6444.9 Ų44.924%0.24225%0.253CS..EExtended strand (participates in β ladder)trans-110.8129.5174.8-58.3-16572.3-155.45.4111.1D349 G459 V474D349-R476 VanDerWaalsContact OD1-CA 3.31Å; D349-R476 WeakPolarHBondContact OD1-CA 3.46Å; D349-R476 IonicContact OD2-NE 3.77Å; G459-R476 PolarHBondContact N-O 3.5Å; G459-R476 PolarHBondContact O-N 3.41Å; G459-R476 VanDerWaalsContact O-N 3.15Å; V474-R476 HydrophobicContact CG1-CG 3.98Å
477Q84.9Confident88.2Confident118 Ų11843.1 Ų43.155%0.55124%0.241SC*.SBendtrans48.660.7-176.8-62.9-177-9.500112.1D349 S479D349-Q477 PolarHBondContact OD1-N 3.49Å; Q477-S479 PolarHBondContact O-N 2.9Å; Q477-S479 VanDerWaalsContact O-N 3.17Å
478A87.8Confident89.2Confident1 Ų136.8 Ų36.81%0.00820%0.197CC..  trans-45.5120.9-170.200000112.5V344 A346 G347 Q348 V506V344-A478 HydrophobicContact CB-CB 4.43Å; V344-A478 HydrophobicContact CG1-CB 3.65Å; A346-A478 CarbonylContact C-O 3.52Å; A346-A478 WeakPolarHBondContact CA-O 3.48Å; G347-A478 PolarHBondContact N-O 2.69Å; Q348-A478 WeakPolarHBondContact O-CB 3.46Å; Q348-A478 PolarHBondContact O-N 3.46Å; A478-V506 HydrophobicContact CB-CG1 4.2Å; A478-V506 HydrophobicContact CB-CG2 4.11Å
479S88.6Confident90.2Very high40 Ų4034 Ų3428%0.2818%0.177SC..  trans-100.7161.5179.370.50000110.6Q477 S481 D482 V506Q477-S479 PolarHBondContact O-N 2.9Å; Q477-S479 VanDerWaalsContact O-N 3.17Å; S479-S481 PolarHBondContact O-N 2.77Å; S479-S481 VanDerWaalsContact O-N 3.13Å; S479-S481 PolarHBondContact OG-OG 3.35Å; S479-D482 WeakPolarHBondContact CB-OD2 3.26Å; S479-D482 PolarHBondContact N-OD2 3Å; S479-D482 WeakPolarHBondContact O-CB 3.42Å; S479-D482 PolarHBondContact O-N 3.1Å; S479-D482 PolarHBondContact OG-N 2.92Å; S479-D482 PolarHBondContact OG-OD2 3.41Å; S479-V506 WeakPolarHBondContact O-CG2 3.41Å
480Q87.2Confident90.6Very high114 Ų11432.9 Ų32.953%0.53317%0.172SC..G310 helixtrans-56.4-33.8174.9-16767.777.800111.6D482 S483 V506Q480-D482 VanDerWaalsContact C-N 3.28Å; Q480-D482 PolarHBondContact O-N 2.84Å; Q480-S483 PolarHBondContact NE2-OG 2.89Å; Q480-S483 VanDerWaalsContact NE2-OG 3.12Å; Q480-S483 VanDerWaalsContact O-CB 3.26Å; Q480-S483 WeakPolarHBondContact O-CB 3.04Å; Q480-S483 PolarHBondContact O-N 2.8Å; Q480-S483 VanDerWaalsContact O-N 3.16Å; Q480-S483 PolarHBondContact O-OG 2.95Å; Q480-V506 PolarHBondContact NE2-O 3.28Å
481S86.2Confident90.6Very high88 Ų8836.4 Ų36.462%0.61519%0.19SC*.G310 helixtrans-64-21.1173.526.40000114.8K370 S479 S483K370-S481 PolarHBondContact NZ-O 2.53Å; S479-S481 PolarHBondContact O-N 2.77Å; S479-S481 VanDerWaalsContact O-N 3.13Å; S479-S481 PolarHBondContact OG-OG 3.35Å; S481-S483 PolarHBondContact O-N 2.89Å
482D90Very high90.4Very high13 Ų1336.7 Ų36.77%0.0719%0.191CC..G310 helixtrans-80.7-3.9174.2-62.3-61000113G459 A460 L475 S479 Q480 Y486 V506G459-D482 WeakPolarHBondContact CA-OD1 3.45Å; A460-D482 PolarHBondContact N-OD1 2.86Å; L475-D482 HydrophobicContact CD2-CB 3.93Å; S479-D482 WeakPolarHBondContact CB-OD2 3.26Å; S479-D482 PolarHBondContact N-OD2 3Å; S479-D482 WeakPolarHBondContact O-CB 3.42Å; S479-D482 PolarHBondContact O-N 3.1Å; S479-D482 PolarHBondContact OG-N 2.92Å; S479-D482 PolarHBondContact OG-OD2 3.41Å; Q480-D482 VanDerWaalsContact C-N 3.28Å; Q480-D482 PolarHBondContact O-N 2.84Å; D482-Y486 WeakPolarHBondContact O-CE2 2.98Å; D482-Y486 PolarHBondContact O-OH 3.32Å; D482-V506 HydrophobicContact CB-CG2 4.42Å
483S91.1Very high89.9Confident33 Ų3340.2 Ų40.223%0.23121%0.208CC..  trans-64.1146.7168.8-54.80000110.7Q480 S481 I504 V506Q480-S483 PolarHBondContact NE2-OG 2.89Å; Q480-S483 VanDerWaalsContact NE2-OG 3.12Å; Q480-S483 VanDerWaalsContact O-CB 3.26Å; Q480-S483 WeakPolarHBondContact O-CB 3.04Å; Q480-S483 PolarHBondContact O-N 2.8Å; Q480-S483 VanDerWaalsContact O-N 3.16Å; Q480-S483 PolarHBondContact O-OG 2.95Å; S481-S483 PolarHBondContact O-N 2.89Å; S483-I504 WeakPolarHBondContact CA-O 3.11Å; S483-V506 WeakPolarHBondContact OG-CB 3.3Å; S483-V506 PolarHBondContact OG-N 3.23Å
484G92.5Very high89.2Confident19 Ų1943 Ų4320%0.19623%0.231CC..EExtended strand (participates in β ladder)trans148-173.817800000113.4Q503 I504G484-Q503 PolarHBondContact O-NE2 2.99Å; G484-I504 PolarHBondContact N-O 2.87Å; G484-I504 PolarHBondContact O-N 3.03Å
485R94Very high88.7Confident127 Ų12745 Ų4548%0.47925%0.254SS..EExtended strand (participates in β ladder)trans-96.9128.7172.4-172.3178.7-64175.81.7109.7S371 F501S371-R485 WeakPolarHBondContact CB-O 3.15Å; S371-R485 PolarHBondContact N-O 3.01Å; S371-R485 PolarHBondContact OG-N 2.89Å; S371-R485 PolarHBondContact OG-O 3.03Å; S371-R485 VanDerWaalsContact OG-O 3.1Å; R485-F501 HydrophobicContact CG-CD1 4.38Å
486Y94.8Very high88.5Confident1 Ų148.2 Ų48.20%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-108.8151.8171.6-65.5-100.1000109.1G369 K370 L398 A460 L473 D482 F501 V502 I504G369-Y486 CarbonylContact O-C 3.55Å; G369-Y486 VanDerWaalsContact O-CA 3.28Å; G369-Y486 WeakPolarHBondContact O-CA 3.4Å; K370-Y486 HydrophobicContact CB-CD1 3.96Å; K370-Y486 HydrophobicContact CB-CE1 3.76Å; K370-Y486 HydrophobicContact CD-CE1 3.91Å; K370-Y486 HydrophobicContact CD-CE2 4.48Å; K370-Y486 WeakPolarHBondContact CD-OH 3.38Å; K370-Y486 WeakPolarHBondContact CE-OH 3.32Å; K370-Y486 HydrophobicContact CG-CD1 4.16Å; K370-Y486 HydrophobicContact CG-CE1 3.74Å; K370-Y486 HydrophobicContact CG-CE2 4.28Å; L398-Y486 HydrophobicContact CD1-CD1 3.94Å; L398-Y486 HydrophobicContact CD1-CE1 3.99Å; A460-Y486 HydrophobicContact CB-CE1 3.75Å; L473-Y486 HydrophobicContact CD1-CD1 4.22Å; L473-Y486 HydrophobicContact CD1-CE1 4.41Å; L473-Y486 HydrophobicContact CD2-CD1 3.66Å; L473-Y486 HydrophobicContact CD2-CD2 4.47Å; L473-Y486 HydrophobicContact CD2-CE1 4.34Å; L473-Y486 HydrophobicContact CD2-CG 3.72Å; D482-Y486 WeakPolarHBondContact O-CE2 2.98Å; D482-Y486 PolarHBondContact O-OH 3.32Å; Y486-F501 CarbonylContact O-C 3.49Å; Y486-F501 WeakPolarHBondContact O-CA 3.16Å; Y486-V502 PolarHBondContact N-O 2.99Å; Y486-V502 PolarHBondContact O-N 3.4Å; Y486-I504 HydrophobicContact CD2-CB 4.38Å; Y486-I504 HydrophobicContact CD2-CD1 3.6Å; Y486-I504 HydrophobicContact CD2-CG1 3.89Å; Y486-I504 HydrophobicContact CE2-CB 4.23Å; Y486-I504 HydrophobicContact CE2-CD1 3.67Å; Y486-I504 HydrophobicContact CE2-CG1 4.13Å; Y486-I504 HydrophobicContact CG-CD1 4.35Å
487V94.6Very high88.5Confident0 Ų049.8 Ų49.80%028%0.28CS..EExtended strand (participates in β ladder)trans-129.4133.5172.570.20000109.1W368 G369 W390 F395 H499 K500 F501W368-V487 CarbonylContact C-O 3.57Å; W368-V487 VanDerWaalsContact CA-O 3.28Å; W368-V487 WeakPolarHBondContact CA-O 3.2Å; G369-V487 PolarHBondContact N-O 2.9Å; G369-V487 PolarHBondContact O-N 3.46Å; W390-V487 HydrophobicContact CD2-CG1 4.46Å; W390-V487 HydrophobicContact CE3-CG1 3.56Å; W390-V487 HydrophobicContact CZ3-CG1 4.18Å; F395-V487 HydrophobicContact CB-CG1 4.5Å; F395-V487 HydrophobicContact CD1-CB 4.15Å; F395-V487 HydrophobicContact CD1-CG1 3.37Å; F395-V487 HydrophobicContact CD2-CG1 4.09Å; F395-V487 HydrophobicContact CE1-CB 3.72Å; F395-V487 HydrophobicContact CE1-CG1 3.45Å; F395-V487 VanDerWaalsContact CE1-CG1 3.45Å; F395-V487 HydrophobicContact CE2-CG1 4.15Å; F395-V487 HydrophobicContact CG-CG1 3.74Å; F395-V487 HydrophobicContact CZ-CB 4.02Å; F395-V487 HydrophobicContact CZ-CG1 3.85Å; V487-H499 HydrophobicContact CG2-CB 4.04Å; V487-K500 CarbonylContact C-O 3.42Å; V487-K500 WeakPolarHBondContact CA-O 3.45Å; V487-F501 HydrophobicContact CB-CD1 4Å; V487-F501 HydrophobicContact CB-CE1 4.06Å; V487-F501 HydrophobicContact CG2-CD1 3.79Å; V487-F501 HydrophobicContact CG2-CE1 3.58Å; V487-F501 HydrophobicContact CG2-CZ 4.24Å
488C94.4Very high88.8Confident0 Ų045.3 Ų45.30%026%0.26CS..EExtended strand (participates in β ladder)trans-91120.1155.6175.40000107.2C354 I366 R367 W368 H499 K500C354-C488 HydrophobicContact CB-CB 3.67Å; C354-C488 WeakPolarHBondContact CB-SG 3.48Å; C354-C488 WeakPolarHBondContact SG-CB 3.33Å; C354-C488 CovalentContact SG-SG 2.03Å; C354-C488 PolarHBondContact SG-SG 2.74Å; I366-C488 WeakPolarHBondContact CG2-SG 3.48Å; R367-C488 CarbonylContact O-C 3.57Å; R367-C488 WeakPolarHBondContact O-CA 3.31Å; W368-C488 HydrophobicContact CD2-CB 3.91Å; W368-C488 HydrophobicContact CE3-CB 3.76Å; W368-C488 HydrophobicContact CH2-CB 3.92Å; W368-C488 HydrophobicContact CZ2-CB 4.04Å; W368-C488 HydrophobicContact CZ3-CB 3.77Å; C488-H499 WeakPolarHBondContact O-CA 3.2Å; C488-K500 HydrophobicContact CB-CB 4.29Å; C488-K500 PolarHBondContact N-O 3.16Å; C488-K500 PolarHBondContact O-N 3.15Å
489S92.9Very high89Confident9 Ų946.5 Ų46.56%0.06327%0.265CS..EExtended strand (participates in β ladder)trans-106.6132.4172.5-168.50000109.5R367 H499R367-S489 PolarHBondContact N-O 3.25Å; R367-S489 PolarHBondContact O-N 3.28Å; S489-H499 PolarHBondContact OG-CE1 3.34Å; S489-H499 PolarHBondContact OG-ND1 2.79Å; S489-H499 VanDerWaalsContact OG-ND1 3.13Å
490V91.6Very high89.3Confident0 Ų045.2 Ų45.20%025%0.254CS..EExtended strand (participates in β ladder)trans-122.3126.6-177.3176.10000108.7I333 I334 V356 T365 I366 D497 D498I333-V490 HydrophobicContact CG2-CG1 3.78Å; I334-V490 HydrophobicContact CD1-CB 4.19Å; I334-V490 HydrophobicContact CD1-CG2 3.7Å; I334-V490 HydrophobicContact CG1-CB 4.07Å; I334-V490 HydrophobicContact CG1-CG2 3.64Å; V356-V490 HydrophobicContact CG2-CB 4.39Å; V356-V490 HydrophobicContact CG2-CG1 3.53Å; V356-V490 HydrophobicContact CG2-CG2 3.98Å; T365-V490 WeakPolarHBondContact O-CA 3.42Å; I366-V490 HydrophobicContact CB-CG2 4.46Å; I366-V490 HydrophobicContact CG1-CG2 4.08Å; I366-V490 HydrophobicContact CG2-CG2 4.07Å; V490-D497 CarbonylContact O-C 3.54Å; V490-D497 WeakPolarHBondContact O-CA 3.34Å; V490-D498 PolarHBondContact N-O 3.42Å; V490-D498 PolarHBondContact O-N 3.41Å
491L88.4Confident89.6Confident84 Ų8442.1 Ų42.144%0.4424%0.239SC..EExtended strand (participates in β ladder)trans-124.1120.7173.2175.669000109.8S364 T365 D497S364-L491 WeakPolarHBondContact CA-O 3.4Å; T365-L491 PolarHBondContact N-O 2.94Å; T365-L491 PolarHBondContact O-N 3.17Å; T365-L491 PolarHBondContact OG1-O 3.1Å; L491-D497 HydrophobicContact CD1-CB 4.18Å
492T86.7Confident90Very high7 Ų738 Ų384%0.04321%0.21CC..  trans-87.1160.1-178.7600000113I333 H361 A494 G495 R496I333-T492 HydrophobicContact CD1-CG2 3.81Å; I333-T492 HydrophobicContact CG2-CG2 3.57Å; H361-T492 HydrophobicContact CB-CG2 3.91Å; T492-A494 PolarHBondContact O-N 3.49Å; T492-A494 VanDerWaalsContact O-N 3.16Å; T492-G495 PolarHBondContact O-N 3.14Å; T492-R496 PolarHBondContact N-O 3.37Å; T492-R496 PolarHBondContact OG1-N 2.85Å; T492-R496 PolarHBondContact OG1-O 3.22Å
493E80.6Confident90.3Very high112 Ų11240.1 Ų40.152%0.52322%0.22SC..THydrogen-bonded Turntrans-57.9-28.2175.1-166.7178.2159.500113.1R362 S363 G495R362-E493 PolarHBondContact O-N 3.17Å; S363-E493 PolarHBondContact OG-OE2 3.35Å; E493-G495 PolarHBondContact O-N 3.08Å
494A78.5Confident90.4Very high59 Ų5938.6 Ų38.649%0.48821%0.209SC..THydrogen-bonded Turntrans-73.3-2.1174.700000114S327 T492 R496S327-A494 WeakPolarHBondContact OG-CB 3.33Å; T492-A494 PolarHBondContact O-N 3.49Å; T492-A494 VanDerWaalsContact O-N 3.16Å; A494-R496 VanDerWaalsContact C-N 3.3Å; A494-R496 PolarHBondContact O-N 3.31Å
495G81.7Confident90.5Very high56 Ų5640.2 Ų40.258%0.57722%0.217SC*.SBendtrans7710.9-178.100000114.6T492 E493T492-G495 PolarHBondContact O-N 3.14Å; E493-G495 PolarHBondContact O-N 3.08Å
496R85Confident90.4Very high67 Ų6734.4 Ų34.425%0.25320%0.196SC..  trans-82.9131.5169.3-61.3-177.461.5-161.6-4.9109.8R328 T329 D330 G331 I333 T492 A494R328-R496 PolarHBondContact O-NH1 3.3Å; T329-R496 VanDerWaalsContact C-NH1 3.25Å; T329-R496 PolarHBondContact O-NH1 2.56Å; D330-R496 PolarHBondContact O-NH1 3.07Å; G331-R496 PolarHBondContact O-NH2 2.79Å; I333-R496 HydrophobicContact CD1-CB 3.62Å; T492-R496 PolarHBondContact N-O 3.37Å; T492-R496 PolarHBondContact OG1-N 2.85Å; T492-R496 PolarHBondContact OG1-O 3.22Å; A494-R496 VanDerWaalsContact C-N 3.3Å; A494-R496 PolarHBondContact O-N 3.31Å
497D87.8Confident90.1Very high97 Ų9738.6 Ų38.652%0.51922%0.222SC..EExtended strand (participates in β ladder)trans-102.6155.7169.869.4-53.6000112.3V490 L491 H499V490-D497 CarbonylContact O-C 3.54Å; V490-D497 WeakPolarHBondContact O-CA 3.34Å; L491-D497 HydrophobicContact CD1-CB 4.18Å; D497-H499 IonicContact OD2-CD2 2.84Å; D497-H499 IonicContact OD2-CE1 3.87Å; D497-H499 IonicContact OD2-NE2 2.64Å; D497-H499 PolarHBondContact OD2-NE2 3.17Å
498D90Very high89.1Confident25 Ų2540.5 Ų40.513%0.13424%0.241CC..EExtended strand (participates in β ladder)trans-152.5155175.5-1664.8000110.3I333 I334 H338 V490I333-D498 WeakPolarHBondContact CA-OD2 3.48Å; I333-D498 HydrophobicContact CB-CB 3.71Å; I333-D498 WeakPolarHBondContact CB-OD2 3.44Å; I333-D498 HydrophobicContact CD1-CB 3.83Å; I333-D498 HydrophobicContact CG1-CB 3.87Å; I333-D498 PolarHBondContact N-OD2 3.29Å; I334-D498 HydrophobicContact CD1-CB 4.23Å; I334-D498 HydrophobicContact CG1-CB 4.16Å; I334-D498 PolarHBondContact N-OD2 2.92Å; H338-D498 IonicContact CE1-OD1 3.39Å; H338-D498 PolarHBondContact CE1-OD1 3.12Å; H338-D498 IonicContact CE1-OD2 3.14Å; H338-D498 PolarHBondContact CE1-OD2 3.19Å; H338-D498 VanDerWaalsContact CE1-OD2 3.31Å; H338-D498 IonicContact ND1-OD1 3.34Å; H338-D498 PolarHBondContact ND1-OD1 2.85Å; V490-D498 PolarHBondContact N-O 3.42Å; V490-D498 PolarHBondContact O-N 3.41Å
499H92.5Very high87.3Confident26 Ų2643.9 Ų43.912%0.1228%0.276CS..EExtended strand (participates in β ladder)trans-139.1136.6-170.4-51.9-90.1000111.8H338 V487 C488 S489 D497 F501H338-H499 PolarHBondContact ND1-O 3.48Å; H338-H499 VanDerWaalsContact ND1-O 3.08Å; V487-H499 HydrophobicContact CG2-CB 4.04Å; C488-H499 WeakPolarHBondContact O-CA 3.2Å; S489-H499 PolarHBondContact OG-CE1 3.34Å; S489-H499 PolarHBondContact OG-ND1 2.79Å; S489-H499 VanDerWaalsContact OG-ND1 3.13Å; D497-H499 IonicContact OD2-CD2 2.84Å; D497-H499 IonicContact OD2-CE1 3.87Å; D497-H499 IonicContact OD2-NE2 2.64Å; D497-H499 PolarHBondContact OD2-NE2 3.17Å; H499-F501 HydrophobicContact CB-CE2 4.25Å; H499-F501 HydrophobicContact CB-CZ 4.14Å
500K93.7Very high85Confident12 Ų1248.8 Ų48.85%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-124.8122.9175170173.3-178172.60110.1I334 P337 H338 I340 H353 V487 C488I334-K500 HydrophobicContact CD1-CB 3.7Å; I334-K500 HydrophobicContact CG2-CB 4.1Å; I334-K500 HydrophobicContact CG2-CD 3.74Å; P337-K500 WeakPolarHBondContact O-CE 3.33Å; H338-K500 CarbonylContact O-C 3.53Å; H338-K500 WeakPolarHBondContact O-CA 3.15Å; I340-K500 VanDerWaalsContact CD1-CE 3.43Å; H353-K500 WeakPolarHBondContact O-CE 3.32Å; H353-K500 PolarHBondContact O-NZ 3.48Å; V487-K500 CarbonylContact C-O 3.42Å; V487-K500 WeakPolarHBondContact CA-O 3.45Å; C488-K500 HydrophobicContact CB-CB 4.29Å; C488-K500 PolarHBondContact N-O 3.16Å; C488-K500 PolarHBondContact O-N 3.15Å
501F94.5Very high82.5Confident50 Ų5054.2 Ų54.222%0.21934%0.338CS..EExtended strand (participates in β ladder)trans-98.8137.5-177.4-58.1-78.7000111.9H338 I339 I340 A391 F395 R485 Y486 V487 H499H338-F501 PolarHBondContact O-N 3.34Å; I339-F501 WeakPolarHBondContact CA-O 3.24Å; I340-F501 PolarHBondContact N-O 3.17Å; A391-F501 HydrophobicContact CB-CE1 4.36Å; A391-F501 HydrophobicContact CB-CZ 3.67Å; F395-F501 HydrophobicContact CZ-CE1 4.28Å; R485-F501 HydrophobicContact CG-CD1 4.38Å; Y486-F501 CarbonylContact O-C 3.49Å; Y486-F501 WeakPolarHBondContact O-CA 3.16Å; V487-F501 HydrophobicContact CB-CD1 4Å; V487-F501 HydrophobicContact CB-CE1 4.06Å; V487-F501 HydrophobicContact CG2-CD1 3.79Å; V487-F501 HydrophobicContact CG2-CE1 3.58Å; V487-F501 HydrophobicContact CG2-CZ 4.24Å; H499-F501 HydrophobicContact CB-CE2 4.25Å; H499-F501 HydrophobicContact CB-CZ 4.14Å
502V95.2Very high80.4Confident0 Ų057.1 Ų57.10%035%0.353CS..EExtended strand (participates in β ladder)trans-125.4111.9173.1-172.50000108.3I340 F352 W368 Y486 I504I340-V502 HydrophobicContact CB-CG1 4.36Å; I340-V502 HydrophobicContact CB-CG2 4.35Å; I340-V502 HydrophobicContact CG2-CG1 4.18Å; I340-V502 CarbonylContact O-C 3.58Å; I340-V502 WeakPolarHBondContact O-CA 3.36Å; F352-V502 HydrophobicContact CB-CG2 4.31Å; F352-V502 HydrophobicContact CD1-CG1 3.75Å; F352-V502 HydrophobicContact CD2-CG1 4.2Å; F352-V502 HydrophobicContact CE1-CG1 3.99Å; F352-V502 HydrophobicContact CE2-CG1 4.41Å; F352-V502 HydrophobicContact CG-CG1 3.87Å; F352-V502 HydrophobicContact CZ-CG1 4.3Å; W368-V502 HydrophobicContact CH2-CG2 4.38Å; W368-V502 HydrophobicContact CZ3-CG2 4.03Å; Y486-V502 PolarHBondContact N-O 2.99Å; Y486-V502 PolarHBondContact O-N 3.4Å; V502-I504 HydrophobicContact CG1-CD1 4.31Å; V502-I504 HydrophobicContact CG1-CG1 3.84Å
503Q95.2Very high78Confident59 Ų5966.4 Ų66.428%0.27640%0.396SS..EExtended strand (participates in β ladder)trans-92.1109.9174.6-173.469.749.800108.7I340 N341 E342 G484I340-Q503 PolarHBondContact O-N 3.38Å; N341-Q503 WeakPolarHBondContact OD1-CB 3.08Å; E342-Q503 PolarHBondContact N-O 3.07Å; G484-Q503 PolarHBondContact O-NE2 2.99Å
504I94.7Very high75.7Confident0 Ų063.4 Ų63.40%040%0.395CS..EExtended strand (participates in β ladder)trans-102.1127.7-178.4-54.8-179.1000109V344 F352 L473 L475 S483 G484 Y486 V502 V506V344-I504 HydrophobicContact CG2-CG2 4.06Å; F352-I504 HydrophobicContact CD2-CD1 4Å; F352-I504 HydrophobicContact CE2-CD1 3.38Å; F352-I504 HydrophobicContact CE2-CG1 4.08Å; F352-I504 HydrophobicContact CZ-CD1 3.99Å; F352-I504 HydrophobicContact CZ-CG1 4.19Å; L473-I504 HydrophobicContact CD2-CD1 4.3Å; L475-I504 HydrophobicContact CD1-CD1 3.78Å; L475-I504 HydrophobicContact CD2-CD1 3.63Å; L475-I504 HydrophobicContact CD2-CG2 4.03Å; L475-I504 HydrophobicContact CG-CD1 4.38Å; S483-I504 WeakPolarHBondContact CA-O 3.11Å; G484-I504 PolarHBondContact N-O 2.87Å; G484-I504 PolarHBondContact O-N 3.03Å; Y486-I504 HydrophobicContact CD2-CB 4.38Å; Y486-I504 HydrophobicContact CD2-CD1 3.6Å; Y486-I504 HydrophobicContact CD2-CG1 3.89Å; Y486-I504 HydrophobicContact CE2-CB 4.23Å; Y486-I504 HydrophobicContact CE2-CD1 3.67Å; Y486-I504 HydrophobicContact CE2-CG1 4.13Å; Y486-I504 HydrophobicContact CG-CD1 4.35Å; V502-I504 HydrophobicContact CG1-CD1 4.31Å; V502-I504 HydrophobicContact CG1-CG1 3.84Å; I504-V506 HydrophobicContact CG2-CG2 4.18Å
505S93.7Very high73.6Confident53 Ų5368.1 Ų68.137%0.37141%0.406SS..EExtended strand (participates in β ladder)trans-119.2109.8172.8-55.80000109.4E342 T343 V344E342-S505 PolarHBondContact O-N 3.2Å; T343-S505 WeakPolarHBondContact CA-O 3.47Å; V344-S505 PolarHBondContact N-O 3.42Å; V344-S505 VanDerWaalsContact N-O 3.07Å
506V91.9Very high71.1Confident6 Ų674.8 Ų74.84%0.03642%0.419CS..EExtended strand (participates in β ladder)trans-84.6131178.4-1760000109.9V344 A346 A478 S479 Q480 D482 S483 I504V344-V506 CarbonylContact O-C 3.34Å; V344-V506 VanDerWaalsContact O-CA 3.26Å; V344-V506 WeakPolarHBondContact O-CA 3.38Å; A346-V506 HydrophobicContact CB-CG1 3.91Å; A478-V506 HydrophobicContact CB-CG1 4.2Å; A478-V506 HydrophobicContact CB-CG2 4.11Å; S479-V506 WeakPolarHBondContact O-CG2 3.41Å; Q480-V506 PolarHBondContact NE2-O 3.28Å; D482-V506 HydrophobicContact CB-CG2 4.42Å; S483-V506 WeakPolarHBondContact OG-CB 3.3Å; S483-V506 PolarHBondContact OG-N 3.23Å; I504-V506 HydrophobicContact CG2-CG2 4.18Å
507V89.1Confident68.9Low89 Ų8977.3 Ų77.354%0.53944%0.437SS..EExtended strand (participates in β ladder)trans-121.4132.9-175.3-1750000110V344 E345 A346V344-V507 PolarHBondContact O-N 3.23Å; E345-V507 CarbonylContact C-O 3.49Å; E345-V507 WeakPolarHBondContact CA-O 3.46Å; A346-V507 PolarHBondContact N-O 3.26Å
508G72.2Confident66.5Low40 Ų4078.7 Ų78.741%0.41245%0.45SS..  trans95.4166.1-170.400000112.1A346A346-G508 VanDerWaalsContact CB-O 3.31Å; A346-G508 WeakPolarHBondContact CB-O 3.29Å
509G58.4Low64Low71 Ų7181.3 Ų81.373%0.73248%0.483SS*.  trans111.213.8178.600000117.2
510S42.9Very low61.7Low111 Ų11184.7 Ų84.778%0.77651%0.509SS*.  trans-98.6131.9167.9-170.80000110.9
511L39.6Very low59.6Low114 Ų11485.9 Ų85.960%0.59752%0.519SS*.  trans67.9139.7-158.7-71.368000111.7
512I45.2Very low57.5Low146 Ų14686.6 Ų86.675%0.74954%0.54SS*.  cis-135.1112.536.1-55.7165.8000112.4
513Q35.5Very low55.5Low202 Ų20291.7 Ų91.794%0.94457%0.572SS**SBendtrans-13296.2138-171.1154.94.900107.9
514G31.6Very low53.6Low48 Ų4894.6 Ų94.650%0.49559%0.585SS.*SBendtrans105.8131.6-172.900000113.7
515H36.4Very low52Low158 Ų158101.8 Ų101.873%0.73161%0.612SS**  trans6188.3171.4-92-92.6000119.5L517H515-L517 PolarHBondContact O-N 3.06Å
516K28.7Very low51Low196 Ų196104.7 Ų104.785%0.85262%0.623SS**  trans-37.492.9146.5177.3-171.9178.7177.70113.4
517L38.6Very low50.2Low120 Ų120108.4 Ų108.463%0.62865%0.646SS**  trans-152.786.7159.9-80.2-173.5000112.2H515 G519H515-L517 PolarHBondContact O-N 3.06Å; L517-G519 PolarHBondContact O-N 2.03Å
518T36.6Very low49.7Very low127 Ų127108.7 Ų108.778%0.77964%0.644SS**  trans3387.6143.1540000117.4S520 S521T518-S520 PolarHBondContact O-N 2.61Å; T518-S521 PolarHBondContact O-OG 3.04Å
519G39Very low50.2Low80 Ų80115.5 Ų115.583%0.82566%0.658SS**SBendtrans-88.666.5-178.200000115.8L517L517-G519 PolarHBondContact O-N 2.03Å
520S43.7Very low51.4Low97 Ų97116.9 Ų116.968%0.67865%0.648SS**  trans-111.830.5159.9-170.70000110.5T518 H524T518-S520 PolarHBondContact O-N 2.61Å; S520-H524 PolarHBondContact O-CD2 3.31Å
521S48.3Very low53.2Low37 Ų37113.4 Ų113.426%0.25963%0.626SS.*  trans-124.38-146.647.30000115.5T518 R525T518-S521 PolarHBondContact O-OG 3.04Å; S521-R525 WeakPolarHBondContact O-CB 3.4Å; S521-R525 WeakPolarHBondContact O-CD 3.49Å; S521-R525 WeakPolarHBondContact O-CG 3.41Å; S521-R525 PolarHBondContact O-N 2.67Å
522G51.9Low55.4Low65 Ų65112.2 Ų112.267%0.6762%0.619SS**Hα-helixtrans-68.4-60.8172.300000112.4R525 L526G522-R525 PolarHBondContact O-N 3.11Å; G522-L526 PolarHBondContact O-N 2.79Å
523T53.4Low57.6Low107 Ų107108.8 Ų108.866%0.65661%0.606SS**Hα-helixtrans-65.6-46175.849.30000111.4R525 L526 T527T523-R525 VanDerWaalsContact C-N 3.3Å; T523-R525 PolarHBondContact O-N 3.41Å; T523-L526 PolarHBondContact O-N 2.64Å; T523-L526 VanDerWaalsContact O-N 3.14Å; T523-T527 PolarHBondContact O-N 2.89Å; T523-T527 PolarHBondContact O-OG1 2.83Å; T523-T527 VanDerWaalsContact O-OG1 3.09Å
524H53.5Low60.1Low119 Ų119102.2 Ų102.255%0.55158%0.58SS**Hα-helixtrans-59.8-33.5177.6-91.3-78.8000113.8S520 L528S520-H524 PolarHBondContact O-CD2 3.31Å; H524-L528 VanDerWaalsContact O-CB 3.29Å; H524-L528 WeakPolarHBondContact O-CB 3.46Å; H524-L528 PolarHBondContact O-N 2.82Å
525R62.4Low62.8Low151 Ų151103.5 Ų103.557%0.5758%0.578SS**Hα-helixtrans-69-44.1173.5-81.3175.5177.2-157.11111.8S521 G522 T523 T527 L528 Y529S521-R525 WeakPolarHBondContact O-CB 3.4Å; S521-R525 WeakPolarHBondContact O-CD 3.49Å; S521-R525 WeakPolarHBondContact O-CG 3.41Å; S521-R525 PolarHBondContact O-N 2.67Å; G522-R525 PolarHBondContact O-N 3.11Å; T523-R525 VanDerWaalsContact C-N 3.3Å; T523-R525 PolarHBondContact O-N 3.41Å; R525-T527 VanDerWaalsContact C-N 3.34Å; R525-T527 PolarHBondContact O-N 2.57Å; R525-L528 PolarHBondContact O-N 2.98Å; R525-Y529 WeakPolarHBondContact O-CB 3.44Å; R525-Y529 VanDerWaalsContact O-CD2 3.24Å; R525-Y529 WeakPolarHBondContact O-CD2 3.49Å; R525-Y529 PolarHBondContact O-N 3.12Å
526L73.2Confident65.5Low115 Ų115100.6 Ų100.660%0.60257%0.567SS**Hα-helixtrans-59.7-46.7174.7-169.980.6000110.8G522 T523 L528 Y529 I530G522-L526 PolarHBondContact O-N 2.79Å; T523-L526 PolarHBondContact O-N 2.64Å; T523-L526 VanDerWaalsContact O-N 3.14Å; L526-L528 VanDerWaalsContact C-N 3.35Å; L526-L528 PolarHBondContact O-N 3.26Å; L526-Y529 PolarHBondContact O-N 3.39Å; L526-I530 HydrophobicContact CD2-CD1 4.46Å; L526-I530 HydrophobicContact CG-CD1 4.04Å; L526-I530 WeakPolarHBondContact O-CG1 3.46Å; L526-I530 PolarHBondContact O-N 2.85Å
527T73.9Confident68.5Low84 Ų8497.4 Ų97.452%0.51555%0.554SS.*Hα-helixtrans-61.5-40176.3-52.90000111.7T523 R525 I530 A531T523-T527 PolarHBondContact O-N 2.89Å; T523-T527 PolarHBondContact O-OG1 2.83Å; T523-T527 VanDerWaalsContact O-OG1 3.09Å; R525-T527 VanDerWaalsContact C-N 3.34Å; R525-T527 PolarHBondContact O-N 2.57Å; T527-I530 PolarHBondContact O-N 2.88Å; T527-A531 WeakPolarHBondContact O-CA 3.44Å; T527-A531 WeakPolarHBondContact O-CB 3.42Å; T527-A531 PolarHBondContact O-N 2.94Å
528L79.2Confident70.9Confident95 Ų9598 Ų9850%0.49755%0.551SS.*Hα-helixtrans-64.6-44.4173.4-94.8155.7000112.8H524 R525 L526 I530 A531 I532H524-L528 VanDerWaalsContact O-CB 3.29Å; H524-L528 WeakPolarHBondContact O-CB 3.46Å; H524-L528 PolarHBondContact O-N 2.82Å; R525-L528 PolarHBondContact O-N 2.98Å; L526-L528 VanDerWaalsContact C-N 3.35Å; L526-L528 PolarHBondContact O-N 3.26Å; L528-I530 PolarHBondContact O-N 2.77Å; L528-A531 PolarHBondContact O-N 2.67Å; L528-I532 HydrophobicContact CD2-CD1 3.77Å; L528-I532 HydrophobicContact CD2-CG1 4.18Å; L528-I532 WeakPolarHBondContact O-CB 3.49Å; L528-I532 WeakPolarHBondContact O-CG1 3.22Å; L528-I532 PolarHBondContact O-N 3.32Å
529Y81.9Confident73.6Confident183 Ų18397.1 Ų97.172%0.71854%0.541SS*.Hα-helixtrans-64.3-25.8177.6-88.8-68.9000113R525 L526 P533R525-Y529 WeakPolarHBondContact O-CB 3.44Å; R525-Y529 VanDerWaalsContact O-CD2 3.24Å; R525-Y529 WeakPolarHBondContact O-CD2 3.49Å; R525-Y529 PolarHBondContact O-N 3.12Å; L526-Y529 PolarHBondContact O-N 3.39Å; Y529-P533 WeakPolarHBondContact O-CD 3.29Å; Y529-P533 VanDerWaalsContact O-CG 3.25Å; Y529-P533 WeakPolarHBondContact O-CG 3.42Å
530I84.3Confident76.1Confident100 Ų10096.9 Ų96.951%0.51353%0.525SS..Hα-helixtrans-90-38.2173.8-62.3168.2000111.2L526 T527 L528 T534L526-I530 HydrophobicContact CD2-CD1 4.46Å; L526-I530 HydrophobicContact CG-CD1 4.04Å; L526-I530 WeakPolarHBondContact O-CG1 3.46Å; L526-I530 PolarHBondContact O-N 2.85Å; T527-I530 PolarHBondContact O-N 2.88Å; L528-I530 PolarHBondContact O-N 2.77Å; I530-T534 HydrophobicContact CG2-CG2 4.48Å; I530-T534 WeakPolarHBondContact O-CB 3.3Å; I530-T534 VanDerWaalsContact O-CG2 3.28Å; I530-T534 WeakPolarHBondContact O-CG2 3.34Å; I530-T534 PolarHBondContact O-N 3.23Å; I530-T534 PolarHBondContact O-OG1 2.81Å
531A80.5Confident78.4Confident37 Ų3795.8 Ų95.831%0.30651%0.512SS..Hα-helixtrans-70.6-36.9-177.700000113.2T527 L528 T534 T535T527-A531 WeakPolarHBondContact O-CA 3.44Å; T527-A531 WeakPolarHBondContact O-CB 3.42Å; T527-A531 PolarHBondContact O-N 2.94Å; L528-A531 PolarHBondContact O-N 2.67Å; A531-T534 WeakPolarHBondContact CA-OG1 3.23Å; A531-T534 PolarHBondContact O-OG1 2.97Å; A531-T534 VanDerWaalsContact O-OG1 3.11Å; A531-T535 WeakPolarHBondContact O-CB 3.4Å; A531-T535 VanDerWaalsContact O-CG2 3.28Å; A531-T535 WeakPolarHBondContact O-CG2 3.43Å; A531-T535 PolarHBondContact O-N 3.19Å; A531-T535 PolarHBondContact O-OG1 3.1Å
532I86.2Confident80.4Confident89 Ų8998 Ų9846%0.45653%0.526SS..Hα-helixtrans-66.3-51.9-179-68.8166.5000111.5L528 T534 T535 I536L528-I532 HydrophobicContact CD2-CD1 3.77Å; L528-I532 HydrophobicContact CD2-CG1 4.18Å; L528-I532 WeakPolarHBondContact O-CB 3.49Å; L528-I532 WeakPolarHBondContact O-CG1 3.22Å; L528-I532 PolarHBondContact O-N 3.32Å; I532-T534 VanDerWaalsContact C-N 3.35Å; I532-T534 PolarHBondContact O-N 3.21Å; I532-T535 PolarHBondContact O-N 2.65Å; I532-T535 PolarHBondContact O-OG1 3.44Å; I532-I536 HydrophobicContact CG2-CD1 3.76Å; I532-I536 VanDerWaalsContact O-CG1 3.27Å; I532-I536 WeakPolarHBondContact O-CG1 3.22Å; I532-I536 PolarHBondContact O-N 3.42Å
533P91Very high82.4Confident74 Ų7498.8 Ų98.848%0.48152%0.518SS..Hα-helixtrans-63.3-38.4177.1-23.935.9000113Y529 F537Y529-P533 WeakPolarHBondContact O-CD 3.29Å; Y529-P533 VanDerWaalsContact O-CG 3.25Å; Y529-P533 WeakPolarHBondContact O-CG 3.42Å; P533-F537 WeakPolarHBondContact O-CB 3.38Å; P533-F537 PolarHBondContact O-N 2.93Å
534T88Confident84.3Confident64 Ų6497.6 Ų97.639%0.39351%0.51SS..Hα-helixtrans-68.7-42179.4510000112.3I530 A531 I532 F537 F538I530-T534 HydrophobicContact CG2-CG2 4.48Å; I530-T534 WeakPolarHBondContact O-CB 3.3Å; I530-T534 VanDerWaalsContact O-CG2 3.28Å; I530-T534 WeakPolarHBondContact O-CG2 3.34Å; I530-T534 PolarHBondContact O-N 3.23Å; I530-T534 PolarHBondContact O-OG1 2.81Å; A531-T534 WeakPolarHBondContact CA-OG1 3.23Å; A531-T534 PolarHBondContact O-OG1 2.97Å; A531-T534 VanDerWaalsContact O-OG1 3.11Å; I532-T534 VanDerWaalsContact C-N 3.35Å; I532-T534 PolarHBondContact O-N 3.21Å; T534-F537 PolarHBondContact O-N 2.9Å; T534-F538 VanDerWaalsContact O-CD2 3.29Å; T534-F538 WeakPolarHBondContact O-CD2 3.37Å; T534-F538 PolarHBondContact O-N 2.95Å
535T88.2Confident86Confident76 Ų7695.3 Ų95.347%0.46651%0.505SS..Hα-helixtrans-65.4-41.317550.80000112.3A531 I532 F537 F538 I539A531-T535 WeakPolarHBondContact O-CB 3.4Å; A531-T535 VanDerWaalsContact O-CG2 3.28Å; A531-T535 WeakPolarHBondContact O-CG2 3.43Å; A531-T535 PolarHBondContact O-N 3.19Å; A531-T535 PolarHBondContact O-OG1 3.1Å; I532-T535 PolarHBondContact O-N 2.65Å; I532-T535 PolarHBondContact O-OG1 3.44Å; T535-F537 VanDerWaalsContact C-N 3.34Å; T535-F537 PolarHBondContact O-N 2.86Å; T535-F538 PolarHBondContact O-N 3.19Å; T535-I539 VanDerWaalsContact O-CG1 3.29Å; T535-I539 WeakPolarHBondContact O-CG1 3.32Å; T535-I539 PolarHBondContact O-N 3.42Å
536I93Very high87.3Confident97 Ų9796 Ų9650%0.49751%0.508SS..Hα-helixtrans-60.1-44.3173-68.1167.8000110.8I532 I539 C540I532-I536 HydrophobicContact CG2-CD1 3.76Å; I532-I536 VanDerWaalsContact O-CG1 3.27Å; I532-I536 WeakPolarHBondContact O-CG1 3.22Å; I532-I536 PolarHBondContact O-N 3.42Å; I536-I539 PolarHBondContact O-N 2.95Å; I536-C540 PolarHBondContact O-N 3.08Å
537F90.9Very high88Confident129 Ų12993.5 Ų93.557%0.56650%0.5SS*.Hα-helixtrans-61.9-43.5177.1-177.5-103.1000112.4P533 T534 T535 C540 L541P533-F537 WeakPolarHBondContact O-CB 3.38Å; P533-F537 PolarHBondContact O-N 2.93Å; T534-F537 PolarHBondContact O-N 2.9Å; T535-F537 VanDerWaalsContact C-N 3.34Å; T535-F537 PolarHBondContact O-N 2.86Å; F537-C540 PolarHBondContact O-N 2.86Å; F537-L541 HydrophobicContact CD1-CD1 3.92Å; F537-L541 HydrophobicContact CD1-CG 4.43Å; F537-L541 HydrophobicContact CE1-CD1 3.43Å; F537-L541 VanDerWaalsContact CE1-CD1 3.43Å; F537-L541 HydrophobicContact CE1-CG 4.11Å; F537-L541 HydrophobicContact CZ-CD1 3.93Å; F537-L541 HydrophobicContact CZ-CG 4.24Å; F537-L541 PolarHBondContact O-N 3.25Å
538F89.8Confident88.6Confident132 Ų13294.6 Ų94.658%0.57950%0.502SS*.Hα-helixtrans-63.1-41.5174.3-89.1-70.4000112.6T534 T535 L541 C542T534-F538 VanDerWaalsContact O-CD2 3.29Å; T534-F538 WeakPolarHBondContact O-CD2 3.37Å; T534-F538 PolarHBondContact O-N 2.95Å; T535-F538 PolarHBondContact O-N 3.19Å; F538-L541 PolarHBondContact O-N 2.92Å; F538-C542 WeakPolarHBondContact O-CB 3.37Å; F538-C542 PolarHBondContact O-N 2.92Å; F538-C542 PolarHBondContact O-SG 2.83Å; F538-C542 VanDerWaalsContact O-SG 3.32Å
539I92.9Very high88.7Confident109 Ų10994.7 Ų94.756%0.55950%0.502SS*.Hα-helixtrans-61.9-45.5175.6-68.6164000110.4T535 I536 L541 C542 V543T535-I539 VanDerWaalsContact O-CG1 3.29Å; T535-I539 WeakPolarHBondContact O-CG1 3.32Å; T535-I539 PolarHBondContact O-N 3.42Å; I536-I539 PolarHBondContact O-N 2.95Å; I539-L541 PolarHBondContact O-N 2.91Å; I539-C542 PolarHBondContact O-N 3.18Å; I539-V543 HydrophobicContact CG2-CG2 4.48Å; I539-V543 WeakPolarHBondContact O-CG2 3.31Å; I539-V543 PolarHBondContact O-N 2.83Å
540C92Very high88.5Confident74 Ų7487.9 Ų87.950%0.548%0.481SS..Hα-helixtrans-58.7-45.2174.2-81.30000112.3I536 F537 V543 V544I536-C540 PolarHBondContact O-N 3.08Å; F537-C540 PolarHBondContact O-N 2.86Å; C540-V543 PolarHBondContact O-N 2.82Å; C540-V544 WeakPolarHBondContact O-CB 3.49Å; C540-V544 WeakPolarHBondContact O-CG2 3.34Å; C540-V544 PolarHBondContact O-N 2.95Å
541L92.8Very high87.8Confident75 Ų7592.6 Ų92.639%0.39349%0.493SS..Hα-helixtrans-61.6-43.9174.8-76.4179.7000112.1F537 F538 I539 V544 T545F537-L541 HydrophobicContact CD1-CD1 3.92Å; F537-L541 HydrophobicContact CD1-CG 4.43Å; F537-L541 HydrophobicContact CE1-CD1 3.43Å; F537-L541 VanDerWaalsContact CE1-CD1 3.43Å; F537-L541 HydrophobicContact CE1-CG 4.11Å; F537-L541 HydrophobicContact CZ-CD1 3.93Å; F537-L541 HydrophobicContact CZ-CG 4.24Å; F537-L541 PolarHBondContact O-N 3.25Å; F538-L541 PolarHBondContact O-N 2.92Å; I539-L541 PolarHBondContact O-N 2.91Å; L541-V544 PolarHBondContact O-N 2.88Å; L541-T545 VanDerWaalsContact O-CB 3.28Å; L541-T545 WeakPolarHBondContact O-CB 3Å; L541-T545 PolarHBondContact O-N 2.65Å; L541-T545 PolarHBondContact O-OG1 3.27Å
542C90.5Very high87Confident84 Ų84100.2 Ų100.257%0.56851%0.514SS*.Hα-helixtrans-61.4-43.5176.6-73.60000111.9F538 I539 T545 Y546F538-C542 WeakPolarHBondContact O-CB 3.37Å; F538-C542 PolarHBondContact O-N 2.92Å; F538-C542 PolarHBondContact O-SG 2.83Å; F538-C542 VanDerWaalsContact O-SG 3.32Å; I539-C542 PolarHBondContact O-N 3.18Å; C542-T545 PolarHBondContact O-N 3.17Å; C542-Y546 VanDerWaalsContact O-CB 3.22Å; C542-Y546 WeakPolarHBondContact O-CB 3.33Å; C542-Y546 PolarHBondContact O-N 2.79Å
543V93Very high85.7Confident81 Ų8199.6 Ų99.649%0.49151%0.514SS..Hα-helixtrans-64.4-47.3176.3172.30000111.1I539 C540 T545 Y546 C547I539-V543 HydrophobicContact CG2-CG2 4.48Å; I539-V543 WeakPolarHBondContact O-CG2 3.31Å; I539-V543 PolarHBondContact O-N 2.83Å; C540-V543 PolarHBondContact O-N 2.82Å; V543-T545 VanDerWaalsContact C-N 3.35Å; V543-T545 PolarHBondContact O-N 2.94Å; V543-Y546 PolarHBondContact O-N 2.89Å; V543-C547 WeakPolarHBondContact O-CB 3.44Å; V543-C547 PolarHBondContact O-N 2.55Å; V543-C547 PolarHBondContact O-SG 2.88Å
544V92.2Very high83.9Confident82 Ų8298.5 Ų98.550%0.49751%0.511SS..Hα-helixtrans-60.4-45.1176.8170.60000111C540 L541 C547 L548C540-V544 WeakPolarHBondContact O-CB 3.49Å; C540-V544 WeakPolarHBondContact O-CG2 3.34Å; C540-V544 PolarHBondContact O-N 2.95Å; L541-V544 PolarHBondContact O-N 2.88Å; V544-C547 PolarHBondContact O-N 2.89Å; V544-L548 HydrophobicContact CG1-CD1 3.97Å; V544-L548 HydrophobicContact CG1-CG 4.44Å; V544-L548 WeakPolarHBondContact O-CB 3.45Å; V544-L548 VanDerWaalsContact O-CG 3.28Å; V544-L548 WeakPolarHBondContact O-CG 3.33Å; V544-L548 PolarHBondContact O-N 3.32Å
545T89.5Confident82.3Confident71 Ų71102.4 Ų102.444%0.43653%0.525SS..Hα-helixtrans-64.7-42.4179-50.50000111.1L541 C542 V543 L548 I549L541-T545 VanDerWaalsContact O-CB 3.28Å; L541-T545 WeakPolarHBondContact O-CB 3Å; L541-T545 PolarHBondContact O-N 2.65Å; L541-T545 PolarHBondContact O-OG1 3.27Å; C542-T545 PolarHBondContact O-N 3.17Å; V543-T545 VanDerWaalsContact C-N 3.35Å; V543-T545 PolarHBondContact O-N 2.94Å; T545-L548 PolarHBondContact O-N 2.98Å; T545-I549 HydrophobicContact CG2-CD1 3.91Å; T545-I549 WeakPolarHBondContact O-CB 3.22Å; T545-I549 VanDerWaalsContact O-CG1 3.3Å; T545-I549 WeakPolarHBondContact O-CG1 3.42Å; T545-I549 PolarHBondContact O-N 3.48Å
546Y90.1Very high80.6Confident164 Ų164105 Ų10564%0.64354%0.535SS*.Hα-helixtrans-62.5-42.5173.5179.5-96.3000112.1C542 V543 L548 I549 S550C542-Y546 VanDerWaalsContact O-CB 3.22Å; C542-Y546 WeakPolarHBondContact O-CB 3.33Å; C542-Y546 PolarHBondContact O-N 2.79Å; V543-Y546 PolarHBondContact O-N 2.89Å; Y546-L548 PolarHBondContact O-N 3.14Å; Y546-I549 PolarHBondContact O-N 3.03Å; Y546-S550 WeakPolarHBondContact O-CB 3.4Å; Y546-S550 PolarHBondContact O-N 3.35Å; Y546-S550 PolarHBondContact O-OG 3.43Å
547C88.7Confident78.5Confident64 Ų64110.5 Ų110.543%0.43255%0.55SS.*Hα-helixtrans-64.4-37.4174.9-720000112.4V543 V544 R551V543-C547 WeakPolarHBondContact O-CB 3.44Å; V543-C547 PolarHBondContact O-N 2.55Å; V543-C547 PolarHBondContact O-SG 2.88Å; V544-C547 PolarHBondContact O-N 2.89Å; C547-R551 VanDerWaalsContact O-CB 3.27Å; C547-R551 WeakPolarHBondContact O-CB 3.07Å; C547-R551 WeakPolarHBondContact O-CG 3.48Å; C547-R551 PolarHBondContact O-N 3.32Å
548L85.7Confident76.4Confident106 Ų106114.5 Ų114.556%0.55556%0.561SS**Hα-helixtrans-69.5-42175.9-71.1171000112.1V544 T545 Y546 R552V544-L548 HydrophobicContact CG1-CD1 3.97Å; V544-L548 HydrophobicContact CG1-CG 4.44Å; V544-L548 WeakPolarHBondContact O-CB 3.45Å; V544-L548 VanDerWaalsContact O-CG 3.28Å; V544-L548 WeakPolarHBondContact O-CG 3.33Å; V544-L548 PolarHBondContact O-N 3.32Å; T545-L548 PolarHBondContact O-N 2.98Å; Y546-L548 PolarHBondContact O-N 3.14Å; L548-R552 WeakPolarHBondContact O-CB 3.46Å; L548-R552 PolarHBondContact O-N 3.04Å
549I80.7Confident74.4Confident98 Ų98112.2 Ų112.250%0.50357%0.567SS.*Hα-helixtrans-68.1-45.9175.7-67.5168.5000110.4T545 Y546 R551 R552 T553T545-I549 HydrophobicContact CG2-CD1 3.91Å; T545-I549 WeakPolarHBondContact O-CB 3.22Å; T545-I549 VanDerWaalsContact O-CG1 3.3Å; T545-I549 WeakPolarHBondContact O-CG1 3.42Å; T545-I549 PolarHBondContact O-N 3.48Å; Y546-I549 PolarHBondContact O-N 3.03Å; I549-R551 PolarHBondContact O-N 3.25Å; I549-R552 CarbonylContact O-C 3.59Å; I549-R552 PolarHBondContact O-N 3.34Å; I549-R552 VanDerWaalsContact O-N 3.13Å; I549-T553 HydrophobicContact CG2-CG2 4.34Å; I549-T553 WeakPolarHBondContact O-CG2 3.16Å; I549-T553 PolarHBondContact O-N 2.95Å; I549-T553 PolarHBondContact O-OG1 2.85Å; I549-T553 VanDerWaalsContact O-OG1 3.07Å
550S78.6Confident72.3Confident39 Ų39111.6 Ų111.627%0.27357%0.572SS.*Hα-helixtrans-63.4-37.4176.5-68.80000112.3Y546 T553 A554Y546-S550 WeakPolarHBondContact O-CB 3.4Å; Y546-S550 PolarHBondContact O-N 3.35Å; Y546-S550 PolarHBondContact O-OG 3.43Å; S550-T553 WeakPolarHBondContact CA-OG1 3.35Å; S550-T553 PolarHBondContact O-OG1 3.02Å; S550-A554 WeakPolarHBondContact O-CB 3.44Å; S550-A554 PolarHBondContact O-N 3.14Å
551R70.1Confident70.3Confident199 Ų199114 Ų11475%0.75158%0.58SS**Hα-helixtrans-64.3-44170-83.5-177.6167.8-176.5-3111.6C547 I549 A554 H555C547-R551 VanDerWaalsContact O-CB 3.27Å; C547-R551 WeakPolarHBondContact O-CB 3.07Å; C547-R551 WeakPolarHBondContact O-CG 3.48Å; C547-R551 PolarHBondContact O-N 3.32Å; I549-R551 PolarHBondContact O-N 3.25Å; R551-A554 PolarHBondContact O-N 2.95Å; R551-H555 WeakPolarHBondContact O-CB 3.29Å; R551-H555 PolarHBondContact O-N 2.03Å
552R63.8Low68.2Low198 Ų198117 Ų11775%0.74760%0.601SS**Hα-helixtrans-65.5-39.7177.3-84.1-177.1168173.2-2.5113.2L548 I549 H555 N556L548-R552 WeakPolarHBondContact O-CB 3.46Å; L548-R552 PolarHBondContact O-N 3.04Å; I549-R552 CarbonylContact O-C 3.59Å; I549-R552 PolarHBondContact O-N 3.34Å; I549-R552 VanDerWaalsContact O-N 3.13Å; R552-H555 PolarHBondContact O-N 2.83Å; R552-N556 WeakPolarHBondContact O-CB 3.36Å; R552-N556 PolarHBondContact O-N 2.85Å
553T58Low65.8Low75 Ų75124.7 Ų124.746%0.4662%0.618SS.*Hα-helixtrans-74.1-32.7177.454.80000112.4I549 S550 R557I549-T553 HydrophobicContact CG2-CG2 4.34Å; I549-T553 WeakPolarHBondContact O-CG2 3.16Å; I549-T553 PolarHBondContact O-N 2.95Å; I549-T553 PolarHBondContact O-OG1 2.85Å; I549-T553 VanDerWaalsContact O-OG1 3.07Å; S550-T553 WeakPolarHBondContact CA-OG1 3.35Å; S550-T553 PolarHBondContact O-OG1 3.02Å; T553-R557 WeakPolarHBondContact O-CB 3.43Å; T553-R557 WeakPolarHBondContact O-CG 3.47Å; T553-R557 PolarHBondContact O-N 2.96Å; T553-R557 VanDerWaalsContact O-N 3.08Å
554A52.9Low63.4Low51 Ų51128.1 Ų128.142%0.42163%0.629SS.*Hα-helixtrans-67.5-38.2169.700000112.6S550 R551 R558S550-A554 WeakPolarHBondContact O-CB 3.44Å; S550-A554 PolarHBondContact O-N 3.14Å; R551-A554 PolarHBondContact O-N 2.95Å; A554-R558 PolarHBondContact O-N 2.89Å
555H54.2Low61.1Low147 Ų147133.2 Ų133.268%0.68165%0.647SS**Hα-helixtrans-69.4-41.3176.5-135.2-78.3000111.9R551 R552 R557 R558 A559R551-H555 WeakPolarHBondContact O-CB 3.29Å; R551-H555 PolarHBondContact O-N 2.03Å; R552-H555 PolarHBondContact O-N 2.83Å; H555-R557 PolarHBondContact O-N 3.48Å; H555-R558 PolarHBondContact O-N 3.09Å; H555-A559 PolarHBondContact O-N 2.94Å
556N53.1Low58.7Low129 Ų129140.3 Ų140.369%0.6967%0.666SS**Hα-helixtrans-74.5-20.2178.9-75.6-1.2000113.8R552R552-N556 WeakPolarHBondContact O-CB 3.36Å; R552-N556 PolarHBondContact O-N 2.85Å
557R49.8Very low56.2Low214 Ų214138.1 Ų138.181%0.80867%0.665SS**Hα-helixtrans-87.1-10.6171.5-73.5-173.9177.1-169.60.3114.5T553 H555T553-R557 WeakPolarHBondContact O-CB 3.43Å; T553-R557 WeakPolarHBondContact O-CG 3.47Å; T553-R557 PolarHBondContact O-N 2.96Å; T553-R557 VanDerWaalsContact O-N 3.08Å; H555-R557 PolarHBondContact O-N 3.48Å
558R46.5Very low53.9Low212 Ų212144.6 Ų144.680%0.868%0.682SS**Hα-helixtrans-99.8-5.5174.1-75.4-177.1175.3168.9-0.6114.3A554 H555A554-R558 PolarHBondContact O-N 2.89Å; H555-R558 PolarHBondContact O-N 3.09Å
559A47.9Very low51.7Low84 Ų84148.1 Ų148.169%0.69469%0.693SS**THydrogen-bonded Turntrans-84.2-6179.800000115H555H555-A559 PolarHBondContact O-N 2.94Å
560S48.7Very low49.6Very low96 Ų96150.5 Ų150.567%0.67171%0.707SS**THydrogen-bonded Turntrans-109.57.3-178.882.30000114.9
561N49.1Very low47.8Very low125 Ų125153.3 Ų153.367%0.66873%0.733SS**SBendtrans-141.3157.8178.1-87-56.5000109.6
562V49.2Very low46.6Very low139 Ų139149.3 Ų149.384%0.84273%0.73SS**  trans72.671.8-178.2-162.40000114.2
563R40.1Very low45.6Very low244 Ų244147.4 Ų147.492%0.92173%0.73SS**  trans-100.614.5172-147.3-178.6-160.41716.2113.4
564H43.7Very low44.7Very low154 Ų154151.4 Ų151.471%0.71374%0.743SS**  trans-138.6137.9-169.1-77.1-11.4000113.9
565Q43.4Very low44.2Very low188 Ų188153.8 Ų153.888%0.87976%0.757SS**  trans60.6109.4164.4-61.8168.7-75.700116.6
566R39.7Very low43.5Very low221 Ų221153.6 Ų153.683%0.83476%0.756SS**  cis88.298.827.1-157.5-179.1-165.6169.45.3115.7
567N37.3Very low42.9Very low118 Ų118155.1 Ų155.163%0.63176%0.763SS**  trans54.5134.6147.1-53.50000120.5
568Y39.7Very low42.4Very low199 Ų199152.4 Ų152.478%0.7876%0.757SS**  176.712098.1-104.3-86.7000114.5
569F39.1Very low42Very low181 Ų181147.6 Ų147.679%0.79476%0.756SS**  trans70.9157.5139.9-96.7-105.8000126
570N36.7Very low41.9Very low147 Ų147148.6 Ų148.679%0.78676%0.757SS**  trans-113.3166.5-164.7-54.2-64.2000113.8
571A40.2Very low41.7Very low99 Ų99148.3 Ų148.382%0.81876%0.755SS**  trans-163.6152.5145.900000110.9
572V44.9Very low41.3Very low115 Ų115149.1 Ų149.170%0.69777%0.765SS**  cis-175160.7-35.8124.60000108.9
573Q43.2Very low40.6Very low157 Ų157146 Ų14673%0.73475%0.753SS**  trans67.1146170-82.7162.1-54.400117.8
574Q39.4Very low40.3Very low160 Ų160139.7 Ų139.775%0.74875%0.746SS**  cis-156175.8-8.7-128.7159.9-900106.6
575S42.1Very low39.8Very low100 Ų100137.3 Ų137.370%0.69975%0.747SS**  cis-148.8148.15.631.50000107.8
576Q39Very low39.4Very low144 Ų144134.1 Ų134.167%0.67375%0.746SS**  50.6127.385-57-76.5-4300113.7
577I42.1Very low39.2Very low161 Ų161128.6 Ų128.683%0.82674%0.741SS**  cis-155.5154.749.2-71.7169.7000110.1
578K38.7Very low39.3Very low156 Ų156131.3 Ų131.368%0.67875%0.754SS**  cis-178.1118.9-26.1-175169.9-179.6179.80111.5
579S37.7Very low38.9Very low112 Ų112124.4 Ų124.478%0.78374%0.743SS**  trans58.5172.4145.6-47.60000119.1
580S46.7Very low38.6Very low104 Ų104122.5 Ų122.573%0.72775%0.746SS**  cis-146.8171.17.371.70000109.7
581S43.6Very low38.4Very low90 Ų90121 Ų12163%0.62975%0.746SS**  cis-173.6151.313.111.30000110.3
582V40.3Very low37.8Very low143 Ų143127 Ų12787%0.86775%0.747SS**  trans65.1135136.6172.30000117.7
583A35.5Very low37Very low72 Ų72129 Ų12960%0.59575%0.754SS**  cis-161145.7-5.800000107.7
584S33.6Very low36.2Very low112 Ų112124.9 Ų124.978%0.78375%0.753SS**  56.3137.393.7-33.60000113.9
585S33.3Very low35.7Very low104 Ų104120.7 Ų120.773%0.72775%0.753SS**  cis179.7-179.6-3.742.60000108.6
586S35.5Very low35.3Very low122 Ų122123.4 Ų123.485%0.85376%0.758SS**  trans86.8159.5157.882.60000118.5
587S35.1Very low34.8Very low105 Ų105123.4 Ų123.473%0.73476%0.763SS**  trans-122.9141.2-153.652.30000112.5
588I39.1Very low34.2Very low174 Ų174119.3 Ų119.389%0.89276%0.761SS**  trans-169148161.9-88.9133.4000103.3
589G31.8Very low33.7Very low55 Ų55119.7 Ų119.757%0.56776%0.764SS**  cis123121.614.800000109.7
590V32.6Very low33.4Very low141 Ų141120.5 Ų120.586%0.85577%0.765SS**  trans75.5154.1166.2-147.90000118.2
591C32.1Very low32.8Very low114 Ų114120.6 Ų120.677%0.7776%0.761SS**  trans71.1124.4171.6-58.40000116.8
592R28Very low32.5Very low225 Ų225124.1 Ų124.185%0.84977%0.771SS**  cis74.5123.718.7-150.2-173.1-166.2-166.96.5115.7
593N26.9Very low32.4Very low159 Ų159123.1 Ų123.185%0.8577%0.768SS**  trans65.4151.9168.6-74.713.2000118.5
594G27.5Very low32.8Very low69 Ų69123.7 Ų123.771%0.71178%0.78SS**  trans129.484158.500000113.8
595G29Very low32.9Very low72 Ų72123.9 Ų123.974%0.74277%0.773SS**  trans-69.4144.6160.200000110.3
596I34Very low33.4Very low158 Ų158126.3 Ų126.381%0.8178%0.778SS**  trans-127.2103.7165.4-14179.5000102.5
597N28.4Very low33.3Very low143 Ų143130.1 Ų130.177%0.76577%0.773SS**  42.3107.578.8-59.3-22.1000108.5
598G28.5Very low33.4Very low76 Ų76133 Ų13378%0.78478%0.779SS**  77.913976.100000109.1
599H28.1Very low33.1Very low164 Ų164135.5 Ų135.576%0.75978%0.778SS**  cis-177.6125.811.8175.3-70.4000107.1
600T31Very low33.3Very low128 Ų128137.8 Ų137.879%0.78578%0.782SS**  trans-17595.416421.40000108.9
601T34Very low33.3Very low107 Ų107136.3 Ų136.366%0.65678%0.778SS**  70.1125.993.459.80000112.8
602I38.9Very low33.6Very low163 Ų163136.7 Ų136.784%0.83678%0.78SS**  -150.7157.153-80.1-177.4000110.3
603P38.5Very low33.6Very low123 Ų123131.2 Ų131.280%0.79978%0.783SS**  trans-118.9180-132.744.1-37.8000118.2
604G42.4Very low33.8Very low83 Ų83126.9 Ų126.986%0.85678%0.775SS**  trans-175.979.3168.300000113.2
605D36.5Very low34Very low117 Ų117130.5 Ų130.563%0.62678%0.784SS**  trans-81147.9-173-114.6-55.7000114.9
606N43.4Very low34Very low155 Ų155131.4 Ų131.483%0.82978%0.784SS**  179.581.1120.3-93.3-23.2000114.6
607R33.1Very low33.8Very low202 Ų202132.5 Ų132.576%0.76279%0.791SS**  22.7115.4120.6-112.5174.5177.5151.7-2.3119.3
608L37.2Very low33.9Very low165 Ų165129.5 Ų129.586%0.86479%0.793SS**  168.213699.6-89.6160.9000115
609R32.3Very low33.9Very low226 Ų226129.8 Ų129.885%0.85379%0.788SS**  trans-101.3178.4162.4-135.8-175.1166.3-173.6-3.2106.2
610P37.8Very low33.8Very low103 Ų103128.1 Ų128.167%0.66979%0.79SS**  cis-147-175.75.740.3-18000118.6
611S30.8Very low33.6Very low110 Ų110126.9 Ų126.977%0.76979%0.787SS**  trans111.6150.2141.3-66.40000119.1
612P39.6Very low33.3Very low123 Ų123129.9 Ų129.980%0.79980%0.797SS**  trans-122.7143.9-157.639-23.2000115.4
613A28.6Very low32.6Very low110 Ų110125 Ų12591%0.90979%0.787SS**  trans-174.4155.5152.100000109.2
614G30.6Very low32Very low68 Ų68130.6 Ų130.670%0.70179%0.793SS**  trans11476.5164.300000116.8
615T31.1Very low31.3Very low145 Ų145132 Ų13289%0.8979%0.791SS**  50.8138.2127.3-350000122
616A28.9Very low31Very low90 Ų90131.6 Ų131.674%0.74480%0.797SS**  trans76.786.9160.300000118.9
617L29.7Very low30.4Very low182 Ų182131.1 Ų131.195%0.95380%0.799SS**  trans-61.1137.2137.3-80.7153.8000109.4
618G29.8Very low30.2Very low79 Ų79129.2 Ų129.281%0.81480%0.804SS**  trans-152.266.5178.100000111.3
619A28.8Very low29.9Very low83 Ų83124.5 Ų124.569%0.68680%0.795SS**  trans-85.7142.8173.200000110.9
620T26.8Very low29.9Very low128 Ų128119.5 Ų119.579%0.78579%0.79SS**SBendtrans63.4123.4159.955.90000120.1
621S27.2Very low29.5Very low103 Ų103121.7 Ų121.772%0.7280%0.796SS**  trans79.4157.7149.379.20000120.1
622I26.1Very low29.5Very low170 Ų170121.2 Ų121.287%0.87279%0.793SS**  trans82.2134.2166.3-53.8153.8000116.4
623G25.9Very low29.1Very low60 Ų60123.4 Ų123.462%0.61979%0.794SS**  trans126.191142.400000117S625G623-S625 PolarHBondContact O-N 2.93Å
624Y25.9Very low29.2Very low240 Ų240126.2 Ų126.294%0.94179%0.794SS**  trans-60.3130.4142.4-78.2-97.8000107.7
625S26.5Very low29.2Very low114 Ų114126.2 Ų126.280%0.79779%0.794SS**  trans-154.6121.6167.9-78.70000111.8G623G623-S625 PolarHBondContact O-N 2.93Å
626S30.7Very low29.2Very low108 Ų108123 Ų12376%0.75579%0.79SS**  trans-54.6152.6154.352.50000112
627V31.7Very low29.5Very low144 Ų144125.1 Ų125.187%0.87379%0.789SS**  -155.1155.5108.9-1480000110.9
628N28.9Very low29.8Very low162 Ų162121.9 Ų121.987%0.86677%0.772SS**  trans-60.1158.4169.9-82-34.7000115.7
629G29.6Very low30.2Very low66 Ų66124.1 Ų124.168%0.6877%0.766SS**  trans89.4148.4149.900000115.7
630T32.3Very low30.5Very low122 Ų122127.3 Ų127.375%0.74877%0.771SS**  cis-165.4155.8-3.13.30000108.6
631N30.7Very low30.8Very low148 Ų148124.8 Ų124.879%0.79177%0.77SS**  trans52115.4151.9-50.9-16.6000118.8
632S30.7Very low31.2Very low100 Ų100125.8 Ų125.870%0.69978%0.775SS**  15813383.6-158.50000113.7
633M30.4Very low31.7Very low169 Ų169125.8 Ų125.883%0.83378%0.775SS**  trans51.2107.4143.7-69.1-180-174.700121.7
634N31Very low31.9Very low169 Ų169130.2 Ų130.290%0.90478%0.784SS**  80.6145.9108.4-159.419.2000118.4
635G29.7Very low32.4Very low68 Ų68125.6 Ų125.670%0.70178%0.781SS**  trans159.9-3.9165.400000121.6
636G32Very low32.4Very low78 Ų78128.8 Ų128.880%0.80478%0.783SS**  trans58.1-167.4173.700000115.5
637N35.5Very low32.5Very low135 Ų135132 Ų13272%0.72279%0.791SS**  cis-158.5167.8-16.4-161.97.1000108.1
638N36.5Very low32.6Very low114 Ų114130.3 Ų130.361%0.6179%0.786SS**  trans66135.3159.4-58.7-27.6000117.6
639N36.3Very low32.8Very low125 Ų125128.1 Ų128.167%0.66878%0.78SS**  cis-179161.510.2-109.3-12.7000110.6
640N36.9Very low33Very low150 Ų150130.6 Ų130.680%0.80278%0.784SS**  trans76.5105.5151.4-60.2-8.2000121.4
641G31.8Very low32.8Very low75 Ų75132.3 Ų132.377%0.77379%0.789SS**  117.1101.195.100000118
642P35.6Very low32.8Very low124 Ų124134.6 Ų134.681%0.80579%0.792SS**  trans-99.8153.1175.137.6-32.2000113.4
643I36.6Very low32.7Very low171 Ų171138.7 Ų138.788%0.87780%0.8SS**  trans-136.8130.4164.7-63.6-176.1000110.3
644N30.8Very low32.8Very low153 Ų153137.4 Ų137.482%0.81880%0.802SS**  trans-82.4151.8174.2-67.2-41.3000111.9
645T35.5Very low32.5Very low142 Ų142135.8 Ų135.887%0.87179%0.793SS**  trans-157.8133.7135.5120000111.7
646Q28.2Very low32.5Very low181 Ų181139.3 Ų139.385%0.84680%0.795SS**  trans-75.9147.8169.9-62.9165.5-78.300110.5
647L32.5Very low32.3Very low175 Ų175144 Ų14492%0.91680%0.796SS**  trans-159.5121.2146-101.3138.1000109.9
648S32.5Very low31.8Very low110 Ų110141.4 Ų141.477%0.76980%0.801SS**PPolyproline II helixtrans-93.2168.9177.2-63.50000110.5
649P33Very low31.5Very low115 Ų115142.6 Ų142.675%0.74781%0.812SS**PPolyproline II helixtrans-103.2167.3-132.838.9-38.8000115.6
650P34.5Very low31.1Very low118 Ų118142.6 Ų142.677%0.76682%0.816SS**PPolyproline II helixtrans-92.8139.6154.634.6-27.8000111.7
651N28.7Very low30.9Very low159 Ų159140.9 Ų140.985%0.8581%0.814SS**PPolyproline II helixtrans-62.9138167.5-70.1-64.9000110.8
652F30.5Very low30.8Very low195 Ų195144 Ų14486%0.85581%0.81SS**  trans-142.3121.8156.2-116.7-86.6000110.8
653Q27.5Very low30.7Very low186 Ų186145.4 Ų145.487%0.86981%0.809SS**  trans-77.8135170.7-64.4176-81.400109.3
654V32.5Very low30.5Very low143 Ų143142.7 Ų142.787%0.86780%0.802SS**  trans-124.9119.3153.6-178.50000107.4
655N26.3Very low30.5Very low135 Ų135138.4 Ų138.472%0.72280%0.795SS**  trans-98.5131.5178.5-176.513.3000107.3
656L28.8Very low30.3Very low142 Ų142135 Ų13574%0.74379%0.787SS**  trans176.7149135.7-114.867.5000113.7
657H28.7Very low30.2Very low177 Ų177136.6 Ų136.682%0.81979%0.787SS**  trans69.6109.3166.6-79.5-111.5000118.2
658G25.2Very low30.1Very low80 Ų80133.7 Ų133.783%0.82578%0.779SS**  trans-90.4150.6-167.400000115.2
659T30.2Very low30Very low138 Ų138134.5 Ų134.585%0.84778%0.779SS**  trans-111.1111.8170.339.70000109.4
660V27.5Very low29.8Very low125 Ų125137 Ų13776%0.75879%0.785SS**  trans-70.6126.8173.5176.60000108.9M662V660-M662 PolarHBondContact O-N 3.13Å; V660-M662 VanDerWaalsContact O-N 3.15Å
661P32.8Very low29.7Very low114 Ų114138.6 Ų138.674%0.7479%0.785SS**  trans-72.9105.2170.129.6-31.7000109I663P661-I663 PolarHBondContact O-N 2.85Å
662M28.5Very low29.8Very low140 Ų140139.5 Ų139.569%0.6979%0.785SS**PPolyproline II helixtrans-74.7121.9175.1-69.8-140.4-81.300110.7V660 P664 M784V660-M662 PolarHBondContact O-N 3.13Å; V660-M662 VanDerWaalsContact O-N 3.15Å; M662-P664 WeakPolarHBondContact O-CD 3.25Å; M662-M784 HydrophobicContact CE-SD 4.26Å; M662-M784 HydrophobicContact SD-CE 4.49Å; M662-M784 HydrophobicContact SD-SD 4.28Å
663I33.5Very low29.6Very low154 Ų154135.7 Ų135.779%0.7978%0.782SS**PPolyproline II helixtrans-88.4119.3174.9-58.9170.6000108.2P661P661-I663 PolarHBondContact O-N 2.85Å
664P32.4Very low29.9Very low114 Ų114134.5 Ų134.574%0.7478%0.78SS**SBendtrans-74.2130.1174.6-16.732000112.2M662M662-P664 WeakPolarHBondContact O-CD 3.25Å
665G31.1Very low29.7Very low64 Ų64131.2 Ų131.266%0.6678%0.775SS**  trans93.210.115300000119.8Y667G665-Y667 PolarHBondContact O-N 3.41Å
666G30.5Very low29.8Very low69 Ų69128.7 Ų128.771%0.71178%0.781SS**  trans-86.199.217800000114.5
667Y27.9Very low29.8Very low215 Ų215127 Ų12784%0.84378%0.781SS**  trans-74.8126.2169.2-74.6-89.9000111.5G665 V669G665-Y667 PolarHBondContact O-N 3.41Å; Y667-V669 PolarHBondContact O-N 3.42Å
668P29.8Very low30Very low115 Ų115126.6 Ų126.675%0.74778%0.779SS**  trans-79.7112.7166.631-30.6000110.1L670P668-L670 PolarHBondContact O-N 2.8Å
669V31.1Very low30.2Very low126 Ų126131.4 Ų131.476%0.76478%0.781SS**  trans-73112.8167.5176.20000108.4Y667 I671Y667-V669 PolarHBondContact O-N 3.42Å; V669-I671 PolarHBondContact O-N 2.81Å
670L28.5Very low30.1Very low167 Ų167131 Ų13187%0.87478%0.78SS**  trans-6997.1169.7-81.9164.1000109.7P668 Q672P668-L670 PolarHBondContact O-N 2.8Å; L670-Q672 PolarHBondContact O-N 2.74Å
671I32Very low30.4Very low152 Ų152130 Ų13078%0.77979%0.785SS**  trans-69.6122.8163.2-61.7177.2000107.5V669 S673V669-I671 PolarHBondContact O-N 2.81Å; I671-S673 PolarHBondContact O-N 2.69Å
672Q30.3Very low30.4Very low178 Ų178130.1 Ų130.183%0.83279%0.789SS**  trans-63.2116.3175.1-76.7175.9-48.400110.2L670 I674L670-Q672 PolarHBondContact O-N 2.74Å; Q672-I674 PolarHBondContact O-N 2.93Å
673S26.1Very low30.5Very low116 Ų116128.1 Ų128.181%0.81179%0.788SS**  trans-70.9114.4168.4-178.90000109.7I671I671-S673 PolarHBondContact O-N 2.69Å
674I33.4Very low30.6Very low161 Ų161125.9 Ų125.983%0.82678%0.784SS**  trans-111.2124.1154.2-64.3179.7000105.6Q672Q672-I674 PolarHBondContact O-N 2.93Å
675G28.1Very low30.4Very low74 Ų74129.1 Ų129.176%0.76379%0.787SS**  trans-71.7151.2-161.900000115.3
676G29.5Very low30.2Very low81 Ų81136.7 Ų136.784%0.83580%0.797SS**  trans-168.6105.5172.200000109.8
677S28.8Very low30Very low106 Ų106138.2 Ų138.274%0.74180%0.797SS**  trans-77135.2-175.4530000113.3
678Q31.9Very low30.3Very low169 Ų169134.1 Ų134.179%0.7979%0.794SS**  170.2124.7116.1-92.3171.57.300114.3
679Q30.2Very low30.4Very low182 Ų182134.4 Ų134.485%0.8580%0.795SS**  trans46.9137.3149.5-81.5157.8-75.600124.2
680P29Very low30.1Very low128 Ų128135.5 Ų135.583%0.83179%0.792SS**  trans-98.4163.2176.939.9-35.3000114.2
681A32.5Very low30.4Very low106 Ų106132.3 Ų132.388%0.87679%0.79SS**  trans-134.1157.8163.500000110.8
682S33.4Very low30.1Very low116 Ų116135.5 Ų135.581%0.81179%0.793SS**  trans-99.3165.8-152.351.20000117.8
683S30.3Very low30.2Very low97 Ų97132.6 Ų132.668%0.67879%0.792SS**  trans-40.3-179.1159.760.70000116.1
684P36.6Very low30.4Very low108 Ų108135 Ų13570%0.70179%0.794SS**  cis-150.5166.62536.2-10.8000122.4
685F26.8Very low30.3Very low182 Ų182132.8 Ų132.880%0.79879%0.793SS**  trans23.3138.8144.3-70.1-92.1000123.1
686Y28Very low30.3Very low223 Ų223134.3 Ų134.388%0.87579%0.788SS**  trans-139.6134.4130.6-114.1-83.6000111.6V688Y686-V688 HydrophobicContact CD1-CG2 4.46Å
687S26.2Very low30.3Very low101 Ų101141.5 Ų141.571%0.70679%0.792SS**  trans-130.9137.6172530000108.6
688V33.1Very low30.2Very low129 Ų129139.4 Ų139.478%0.78279%0.787SS**  trans-125.8136.5-178.1-177.90000109.6Y686Y686-V688 HydrophobicContact CD1-CG2 4.46Å
689P32.2Very low30.1Very low120 Ų120140.3 Ų140.378%0.77979%0.791SS**  trans-94.5168.1-164.236.3-35.6000115.6
690E26.1Very low29.9Very low149 Ų149139.4 Ų139.470%0.69679%0.792SS**  trans-66.3144.4176-173.6179.9175.400112.7R692E690-R692 IonicContact OE1-CZ 3.53Å; E690-R692 IonicContact OE1-NE 2.93Å; E690-R692 PolarHBondContact OE1-NE 2.91Å; E690-R692 IonicContact OE1-NH2 3.41Å; E690-R692 PolarHBondContact OE1-NH2 2.84Å
691A33.6Very low30Very low101 Ų101139.3 Ų139.384%0.83579%0.789SS**  trans-131125.3169.800000110.8
692R26.1Very low29.6Very low219 Ų219139.7 Ų139.783%0.82679%0.786SS**  trans-122.4125.6174.7-70.7-176.7-176.9-168.8-3.3111.3E690E690-R692 IonicContact OE1-CZ 3.53Å; E690-R692 IonicContact OE1-NE 2.93Å; E690-R692 PolarHBondContact OE1-NE 2.91Å; E690-R692 IonicContact OE1-NH2 3.41Å; E690-R692 PolarHBondContact OE1-NH2 2.84Å
693S33.2Very low29.5Very low116 Ų116139.5 Ų139.581%0.81178%0.781SS**  trans-170.5103156.851.40000107.6
694L28.6Very low29.4Very low166 Ų166141 Ų14187%0.86979%0.786SS**  80.795.765.1-16488.9000114.1
695S32.4Very low28.9Very low115 Ų115141.5 Ų141.580%0.80479%0.788SS**  trans166.6156.4136.9400000109.4
696T26.8Very low29Very low106 Ų106139.8 Ų139.865%0.6579%0.792SS**  cis163.8143.7-30.6-73.80000104.2
697Y29.5Very low29.1Very low232 Ų232132.8 Ų132.891%0.9179%0.787SS**  trans72140-172.3-63.5-86.2000115.5
698G26.8Very low29.2Very low63 Ų63135.1 Ų135.165%0.64979%0.792SS**  cis161.8158.7-800000113.4
699Q31.2Very low29.1Very low187 Ų187136 Ų13687%0.87479%0.793SS**  trans86.2123.3169.8-53.9-161.7-1.200119.9
700N25.2Very low29Very low163 Ų163134.5 Ų134.587%0.87278%0.784SS**  trans-73.5136.7161.9-64.8-36.9000110.4
701V31.8Very low29.1Very low126 Ų126135.1 Ų135.176%0.76479%0.788SS**  trans-144.6117153.5-1740000109.2
702S24.6Very low28.6Very low115 Ų115139.6 Ų139.680%0.80479%0.789SS**  trans-89.8152.8162.4-55.20000109.6
703P30.9Very low28.6Very low111 Ų111136.6 Ų136.672%0.72179%0.787SS**  trans-143.3133.8130.231.8-15000116.3
704V27.5Very low28.2Very low129 Ų129141 Ų14178%0.78280%0.797SS**  47.5101.8125.9-167.50000120
705T26.2Very low27.9Very low119 Ų119135.8 Ų135.873%0.7378%0.784SS**  19.9125.3126.4-30.40000120.7
706T28.3Very low27.6Very low146 Ų146137.9 Ų137.990%0.89679%0.786SS**  172146.7117.330.30000112
707G30Very low27.6Very low75 Ų75140.5 Ų140.577%0.77379%0.793SS**  trans133.6101.6167.300000115
708N28.3Very low27.6Very low151 Ų151136.3 Ų136.381%0.80779%0.786SS**  trans-73.6155.3175.1-61.1-28.9000112
709N32.7Very low27.6Very low148 Ų148138.4 Ų138.479%0.79179%0.787SS**  173116.3116.8-80.8-14.9000114
710S29.8Very low27.6Very low87 Ų87137.6 Ų137.661%0.60879%0.788SS**  trans46.6103.5149.660.20000121.8
711E26.8Very low27.8Very low163 Ų163135.1 Ų135.176%0.76278%0.779SS**  57.5100.9122.6-64174.3162.700120.2
712F24.6Very low27.7Very low195 Ų195136.1 Ų136.186%0.85578%0.778SS**  -173.8101.289.3-103-79.4000108.7
713I25Very low27.8Very low156 Ų156136.4 Ų136.480%0.877%0.77SS**  trans-126.5112.1174-63177.6000107.3G715I713-G715 PolarHBondContact O-N 3.29Å
714M24.4Very low27.7Very low207 Ų207137.2 Ų137.2100%1.0277%0.769SS**SBendtrans-8273.7171.9-156.2180-61.100109.3
715G23.9Very low27.6Very low58 Ų58135.1 Ų135.160%0.59876%0.76SS**  trans-168.289-178.300000109.2I713I713-G715 PolarHBondContact O-N 3.29Å
716N25.6Very low27.6Very low158 Ų158136.1 Ų136.185%0.84576%0.76SS**  trans-126.9101.4175.4-159.516.2000110.1
717M26.6Very low27.4Very low161 Ų161135.5 Ų135.579%0.79375%0.752SS**  trans-93.8164.5160.4-68.2-173.7-173.800109.4
718N29.6Very low27.2Very low144 Ų144139 Ų13977%0.7775%0.751SS**  trans79.8152.6167.1-47.2-40.9000114.6
719T27.3Very low26.9Very low108 Ų108135.6 Ų135.666%0.66374%0.744SS**  cis-137.9140.316.949.50000113.4
720N30.3Very low26.5Very low169 Ų169133.5 Ų133.590%0.90474%0.739SS**  -147.894.8124.1-110.3-7.8000109.7
721T30.3Very low26.3Very low111 Ų111139.7 Ų139.768%0.68175%0.751SS**  trans-60.6168.71707.30000110.8
722M28.6Very low26.5Very low148 Ų148137.1 Ų137.173%0.72975%0.748SS**  cis-168.1152.934.2-139175.1-176.500111.8
723N27.7Very low26.7Very low120 Ų120135.7 Ų135.764%0.64275%0.75SS**  trans66.9146.1153.8-59.3-23.7000118.1
724N27.8Very low26.9Very low129 Ų129131.6 Ų131.669%0.6975%0.746SS**  cis-151.4129.99.1-125.4-19.9000111.7
725S26.3Very low27.2Very low85 Ų85129.6 Ų129.659%0.59474%0.739SS**  46.5124.8121.9-50.80000122
726N26.5Very low27.4Very low140 Ų140134.3 Ų134.375%0.74975%0.749SS**  trans92.7118.8139.2-57.3-20000121.1
727N24.2Very low27.6Very low133 Ų133136.5 Ų136.571%0.71175%0.746SS**  trans81.2120.2130-81.7-6000122.1
728I24.4Very low27.9Very low148 Ų148133.7 Ų133.776%0.75974%0.74SS**  85.7129.6124.5-67.5170000118.7
729A23.5Very low28.1Very low79 Ų79133 Ų13365%0.65374%0.741SS**  trans80.9118.7148.700000121.7
730C23.4Very low28.4Very low104 Ų104133 Ų13370%0.70374%0.743SS**  75.9106.3118.7-66.60000121.8
731Y25.5Very low28.4Very low217 Ų217131.1 Ų131.185%0.85174%0.743SS**  trans74.7151133.8-73.4-75.2000119.4
732P31.2Very low28.4Very low109 Ų109129.6 Ų129.671%0.70875%0.749SS**  trans-91.1162.2-160.937.5-37.3000112.5
733N29.3Very low28.6Very low166 Ų166131 Ų13189%0.88875%0.754SS**  trans-130.3118.3163.4-85-44.8000110.6
734G27.8Very low28.7Very low70 Ų70131.3 Ų131.372%0.72275%0.754SS**  trans-81.1160.4162.400000110.9
735L30.6Very low28.9Very low164 Ų164132.2 Ų132.286%0.85976%0.757SS**  trans-96.3104.7172.6-78.2162.5000109.7
736I29.8Very low29Very low158 Ų158135.1 Ų135.181%0.8177%0.766SS**  trans-112.7123.3162.5-64.1175.2000107.2
737Y29.6Very low29.2Very low203 Ų203132.6 Ų132.680%0.79676%0.759SS**  trans-87.8130.5167.8-87.4-93.1000109.7
738P31.9Very low29.6Very low102 Ų102132.8 Ų132.866%0.66276%0.76SS**  trans-76167.9164.236.9-35.5000109.1
739V33.8Very low29.9Very low129 Ų129131.4 Ų131.478%0.78276%0.759SS**  cis-170.7-174.348.9-120.80000107.1
740P35.1Very low30.4Very low109 Ų109131.9 Ų131.971%0.70876%0.757SS**  cis-132.8163.1-32.235.4-19.9000113.4
741S28.8Very low30.8Very low129 Ų129134.1 Ų134.190%0.90276%0.762SS**  trans165.8140.7135.4-79.70000112.1
742G31.6Very low31.1Very low79 Ų79132 Ų13281%0.81477%0.765SS**  trans146.894.7168.100000114.7
743H32.5Very low31.1Very low179 Ų179131 Ų13183%0.82977%0.766SS**  trans-89.3120175.4-114.9-98.9000111.5
744I29.9Very low31.3Very low125 Ų125128.8 Ų128.864%0.64176%0.764SS**  67.1117.3126.5-68.6-164.8000121.1
745I30.6Very low31.4Very low148 Ų148133.4 Ų133.476%0.75977%0.772SS**  trans71.6141.2145.2-67.6174.1000117.2
746N29.5Very low31.8Very low147 Ų147130.8 Ų130.879%0.78677%0.765SS**  cis-142.4175.918.7-146.9-4.8000114.6
747S31Very low31.9Very low86 Ų86131.3 Ų131.360%0.60177%0.766SS**  trans-104.1179-174.459.60000116.1
748N31.9Very low32Very low138 Ų138130.4 Ų130.474%0.73877%0.766SS**  trans108.6141.1159.8-56.3-5.3000116.1
749T31.4Very low31.9Very low118 Ų118130.4 Ų130.472%0.72477%0.768SS**  cis-167.2155.7-22.328.70000110.2
750S34.1Very low32Very low89 Ų89129.6 Ų129.662%0.62277%0.769SS**  trans66.1118144.662.50000123.8
751N30.1Very low31.9Very low151 Ų151129.8 Ų129.881%0.80777%0.773SS**  trans65.8151.9130-47.4-15000119.1
752L33Very low32.5Very low173 Ų173128.7 Ų128.791%0.90676%0.763SS**  cis-137.3172.715.1-94.795.5000112.3
753A31.4Very low32.6Very low89 Ų89132.5 Ų132.574%0.73676%0.764SS**  trans-104.4166.4-179.200000114.6
754S32.7Very low32.5Very low119 Ų119128.7 Ų128.783%0.83276%0.757SS**  164.498.8127.5-72.30000115.8
755N30.6Very low32.5Very low166 Ų166127.6 Ų127.689%0.88876%0.761SS**  36.9162.2128.7-92.66.9000125.5
756P38.2Very low32.6Very low110 Ų110126.6 Ų126.671%0.71476%0.762SS**  trans-129.5-179.8-134.145.6-32.9000116.6
757M33.3Very low32.5Very low169 Ų169125.7 Ų125.783%0.83377%0.767SS**  trans-151.8131.5158.2-84.9-147.417400115.7
758F30Very low32.5Very low183 Ų183125.1 Ų125.180%0.80378%0.775SS**  trans44124.1138.1-72.5-82.6000124.9
759S31.5Very low32.5Very low102 Ų102125.5 Ų125.571%0.71378%0.777SS**  116.6139.911569.70000121.8
760S35Very low32.6Very low113 Ų113125.7 Ų125.779%0.7977%0.774SS**  trans70.9109.3153.919.50000121.9
761S32.5Very low32.6Very low113 Ų113127.8 Ų127.879%0.7978%0.777SS**  trans-71.5-171.1148-14.40000111.4
762P41.3Very low32.8Very low106 Ų106127.3 Ų127.369%0.68878%0.775SS**  cis-127.2-178.8-27.534-15.8000111.5
763D33.9Very low32.8Very low159 Ų159126.4 Ų126.485%0.8577%0.771SS**  176.2178.3125.9-94.6-18.7000112.6
764S31.1Very low32.7Very low98 Ų98127.1 Ų127.169%0.68577%0.771SS**  trans-117.6158.3-143.655.40000116.6
765S30.6Very low32.7Very low103 Ų103131.5 Ų131.572%0.7278%0.775SS**  trans87.5136.2142.372.90000122.6
766T30.7Very low32.7Very low127 Ų127131.5 Ų131.578%0.77977%0.773SS**  trans77.6109.8147.344.10000123.1
767S28.4Very low32.4Very low128 Ų128134.6 Ų134.690%0.89578%0.778SS**  71.7121.7126.3-158.80000120.3
768G31.5Very low32.4Very low73 Ų73132.7 Ų132.775%0.75378%0.778SS**  trans167.671169.600000117.1
769N30.7Very low32.6Very low146 Ų146130.2 Ų130.278%0.78178%0.778SS**  trans24.8136.5147-103.44.7000123.1
770N34.3Very low32.6Very low123 Ų123134.5 Ų134.566%0.65879%0.787SS**  trans92.4125.7135.6-64.3-12.9000122.6
771N34.8Very low32.4Very low132 Ų132132.2 Ų132.271%0.70678%0.781SS**  trans84.8103.1141.6-60.6-10.1000121.4
772N33.8Very low32.2Very low142 Ų142138.1 Ų138.176%0.75979%0.786SS**  45101.9125.9-53.5-7.6000119.6
773N32.7Very low31.7Very low153 Ų153140.3 Ų140.382%0.81879%0.791SS**  -178.5130101.8-103.6-11.3000114.9
774S29.7Very low31.4Very low105 Ų105139.7 Ų139.773%0.73479%0.785SS**  trans27.8104.2144.963.80000121.1
775K31.4Very low31.3Very low210 Ų210143.6 Ų143.691%0.91379%0.79SS**  -158137.9121.3-140.7177.4-180-171.70110.6
776I31.1Very low31.2Very low166 Ų166149.5 Ų149.585%0.85180%0.796SS**  trans-103.2128.1-176.5-62.5169000108.9
777E32.4Very low31.2Very low176 Ų176149.2 Ų149.282%0.82280%0.796SS**  trans-120.5141.8158.8-79.7-167.7153.300109.2
778P33.4Very low31.2Very low128 Ų128151.8 Ų151.883%0.83179%0.794SS**  trans-81.6118.6178.732.1-31.7000110.7
779V34.3Very low31.2Very low132 Ų132154.1 Ų154.180%0.880%0.796SS**  trans-91.7123.8174.6178.20000110.1G781V779-G781 PolarHBondContact O-N 2.85Å
780E31.8Very low31.1Very low191 Ų191151.6 Ų151.689%0.89380%0.796SS**  trans-65.498.4168.8-71.2179.6120.600110.4R782E780-R782 PolarHBondContact O-N 2.82Å
781G29.7Very low30.8Very low65 Ų65154 Ų15467%0.6781%0.807SS**  trans-7572.5-174.300000114.6V779 L783V779-G781 PolarHBondContact O-N 2.85Å; G781-L783 PolarHBondContact O-N 3.06Å
782R29.1Very low30.5Very low237 Ų237154.5 Ų154.589%0.89481%0.809SS**  trans-76.286.5169.3-157.8178.4-169.7-1623.3110E780 M784E780-R782 PolarHBondContact O-N 2.82Å; R782-M784 PolarHBondContact O-N 2.84Å; R782-M784 VanDerWaalsContact O-N 3.08Å
783L30.4Very low30.3Very low153 Ų153151.5 Ų151.580%0.80180%0.799SS**  trans-67104.1-173.2-80.9167.1000113.3G781G781-L783 PolarHBondContact O-N 3.06Å
784M28.5Very low30Very low146 Ų146151.1 Ų151.172%0.71980%0.797SS**PPolyproline II helixtrans-71.8120.1162.1-70.1-83.4-77.700109.4M662 R782 R786M662-M784 HydrophobicContact CE-SD 4.26Å; M662-M784 HydrophobicContact SD-CE 4.49Å; M662-M784 HydrophobicContact SD-SD 4.28Å; R782-M784 PolarHBondContact O-N 2.84Å; R782-M784 VanDerWaalsContact O-N 3.08Å; M784-R786 PolarHBondContact O-N 2.88Å
785F28.9Very low30Very low180 Ų180155.6 Ų155.679%0.78980%0.799SS**PPolyproline II helixtrans-68.3123.6175.5-96.5-89000111.5
786R27.4Very low29.8Very low227 Ų227152.8 Ų152.886%0.85779%0.794SS**PPolyproline II helixtrans-104117165.9-169.5175.6-171.41491.2107.4M784 Q788M784-R786 PolarHBondContact O-N 2.88Å; R786-Q788 PolarHBondContact O-N 3.42Å
787P30.4Very low29.9Very low120 Ų120152.7 Ų152.778%0.77979%0.794SS**PPolyproline II helixtrans-65128.3-178.925.5-32.7000110.1
788Q29.4Very low29.7Very low183 Ų183150.4 Ų150.486%0.85579%0.788SS**PPolyproline II helixtrans-71.5140.6167.3-75.5-176-13.700109.4R786R786-Q788 PolarHBondContact O-N 3.42Å
789P30.5Very low29.7Very low122 Ų122149.8 Ų149.879%0.79279%0.787SS**PPolyproline II helixtrans-69.1139.3173.629.8-33.6000110.1L791P789-L791 PolarHBondContact O-N 3.09Å
790A28.9Very low29.5Very low93 Ų93150.6 Ų150.677%0.76979%0.787SS**PPolyproline II helixtrans-60.4127.717700000110.9I792A790-I792 PolarHBondContact O-N 3.11Å; A790-I792 VanDerWaalsContact O-N 3.1Å
791L28.8Very low29.6Very low172 Ų172146.6 Ų146.690%0.90178%0.78SS**  trans-66.4108.3171.8-82.6164.8000109.6P789 S793P789-L791 PolarHBondContact O-N 3.09Å; L791-S793 PolarHBondContact O-N 3.41Å
792I27.4Very low29.9Very low143 Ų143147.1 Ų147.173%0.73378%0.777SS**  trans-68.6102.3171-61.9172.5000108A790 N794A790-I792 PolarHBondContact O-N 3.11Å; A790-I792 VanDerWaalsContact O-N 3.1Å; I792-N794 PolarHBondContact O-N 3.17Å
793S30Very low30.1Very low80 Ų80142.9 Ų142.956%0.55977%0.772SS**  trans-8097168.8-165.10000109.4L791 Y795L791-S793 PolarHBondContact O-N 3.41Å; S793-Y795 PolarHBondContact O-N 3.18Å; S793-Y795 WeakPolarHBondContact OG-CE2 3.19Å
794N26.4Very low30.3Very low145 Ų145142.6 Ų142.678%0.77577%0.772SS**  trans-67.591.4173.2-85.6-24.1000110.7I792 N796I792-N794 PolarHBondContact O-N 3.17Å; N794-N796 PolarHBondContact O-N 3.42Å
795Y29.4Very low30.5Very low199 Ų199140.1 Ų140.178%0.7877%0.769SS**  trans-84.194.5163.8-76.2-73.4000110.3S793 L797S793-Y795 PolarHBondContact O-N 3.18Å; S793-Y795 WeakPolarHBondContact OG-CE2 3.19Å; Y795-L797 PolarHBondContact O-N 2.87Å; Y795-L797 VanDerWaalsContact O-N 3.12Å
796N27.8Very low30.9Very low151 Ų151137.6 Ų137.681%0.80777%0.774SS**  trans-78.889.4179.5-154.82.4000109.9N794 N798N794-N796 PolarHBondContact O-N 3.42Å; N796-N798 PolarHBondContact O-N 3.09Å
797L33.2Very low31.2Very low163 Ų163136.3 Ų136.385%0.85377%0.774SS**  trans-89.885.7174.8-93.9162.6000110.3Y795Y795-L797 PolarHBondContact O-N 2.87Å; Y795-L797 VanDerWaalsContact O-N 3.12Å
798N27.9Very low31.5Very low129 Ų129137 Ų13769%0.6978%0.776SS**  trans-84.5114.4177-163.514.3000110N796N796-N798 PolarHBondContact O-N 3.09Å
799S34.3Very low31.7Very low115 Ų115135.7 Ų135.780%0.80478%0.775SS**  trans-128.2100.7171.948.50000111.2
800N29.9Very low31.8Very low149 Ų149134.5 Ų134.580%0.79777%0.77SS**  trans-76.7132.6176.9-76.5-40.3000112.4
801S34.3Very low32.1Very low107 Ų107136.9 Ų136.975%0.74877%0.77SS**  trans-170.8107.4140.8-176.60000107.2
802A35.1Very low32.3Very low75 Ų75134.4 Ų134.462%0.6276%0.762SS**  49.7121.788.700000112.3
803N33.6Very low32.5Very low148 Ų148134.7 Ų134.779%0.79176%0.762SS**  cis-150.9-179.86.5-78.4-36.6000108.5
804N33.6Very low32.7Very low147 Ų147140.6 Ų140.679%0.78677%0.772SS**  cis-152.4-17712-146.6-5.7000114.1
805S33.5Very low32.9Very low94 Ų94143.8 Ų143.866%0.65777%0.773SS**  trans-85.3147.5-179.555.20000118.3
806S37.6Very low33Very low127 Ų127143.2 Ų143.289%0.88878%0.775SS**  -173146.5126.649.40000112.7
807K32.1Very low33.1Very low201 Ų201139.2 Ų139.287%0.87477%0.769SS**  trans-108147-179.4-68.6171.8172.8174.70111.7
808T37Very low33.1Very low134 Ų134140.6 Ų140.682%0.82277%0.771SS**  trans168.7109.9136.638.30000108.3
809N33.7Very low33.2Very low156 Ų156139 Ų13983%0.83477%0.77SS**  81.7132.379.4-100.721.2000116.6
810S34.3Very low33.1Very low97 Ų97140 Ų14068%0.67877%0.772SS**  trans64.4106154.249.50000121.5
811D34.2Very low33.1Very low143 Ų143135.9 Ų135.977%0.76577%0.765SS**  77.5120.9118.7-64.5-44.5000124.7
812T33.5Very low33Very low120 Ų120138 Ų13874%0.73677%0.767SS**  trans80.8120.9137.154.80000122.9
813M31.4Very low32.7Very low148 Ų148140.5 Ų140.573%0.72977%0.771SS**  trans83.6122.8136.6-80.4-140.2-72.600122.2
814R32.9Very low32.6Very low204 Ų204141.4 Ų141.477%0.7778%0.775SS**  trans83.4104.4138.8-71.4177.6-175.2-155.22.1120
815R32.3Very low32.4Very low213 Ų213139.9 Ų139.980%0.80477%0.771SS**  78.9126.6119.9-88-171.8176.4-147.51.1120.1
816F31.5Very low32.3Very low186 Ų186140.6 Ų140.682%0.81678%0.776SS**  trans60.8103.8149.4-73.4-76.1000119.3
817G29Very low31.8Very low67 Ų67140.7 Ų140.769%0.69177%0.767SS**  113136.5100.300000118.5
818Q33.6Very low31.7Very low192 Ų192142.4 Ų142.490%0.89777%0.769SS**  trans80.2115.9150.3-62.2-175.2-0.200120.8
819S29.9Very low31.2Very low95 Ų95144.4 Ų144.466%0.66477%0.77SS**  94.5131.4122.9-164.40000120.5
820T32.5Very low31Very low138 Ų138145.1 Ų145.185%0.84777%0.77SS**  trans62.1140.1152.140.50000118.2
821G29.8Very low30.8Very low62 Ų62146.4 Ų146.464%0.63977%0.774SS**  cis138.7155.45.800000110.3
822N32.5Very low30.4Very low150 Ų150146.5 Ų146.580%0.80277%0.773SS**  trans68.2158.5-179.7-62.2-10.4000116.2
823N29.2Very low30.2Very low129 Ų129147.1 Ų147.169%0.6978%0.777SS**  cis-178.2149.8-38.1-99.5-15.3000104.7
824N30.8Very low30.2Very low166 Ų166146.3 Ų146.389%0.88878%0.775SS**  trans-167.5140132.5-100.2-19.7000112.4
825T29.3Very low30.1Very low115 Ų115142.7 Ų142.771%0.70678%0.776SS**  trans-106162.6-171.145.40000111.5
826S32.1Very low30.3Very low109 Ų109137.8 Ų137.876%0.76277%0.772SS**  trans-146.2131.8146.155.60000109.6
827N27.3Very low30.3Very low129 Ų129134.5 Ų134.569%0.6977%0.772SS**  trans-96.5150.9-168.3-53.3-33.3000111
828Y29.6Very low30.6Very low237 Ų237134.4 Ų134.493%0.92977%0.771SS**  trans-139.5136.3145.3-65.5-73.3000109.6
829E25.6Very low30.7Very low177 Ų177133.5 Ų133.583%0.82777%0.771SS**  trans-122.2148.3-168172.7-174.117500108.7
830M29.5Very low30.9Very low171 Ų171134.1 Ų134.184%0.84278%0.775SS**  trans175.3101.2137-168.4157.6-7300113.7
831T29.8Very low30.8Very low124 Ų124132.1 Ų132.176%0.76177%0.767SS**  trans66.4151130.8-45.10000122.9
832I25.6Very low30.9Very low145 Ų145140.2 Ų140.274%0.74478%0.78SS**  trans-119.4149.2-163.1-62.9161.6000110.9
833T30.4Very low31.1Very low133 Ų133137.7 Ų137.782%0.81677%0.772SS**  trans-144.6103.8155.442.10000114.2
834N31.3Very low31.3Very low131 Ų131138.6 Ų138.670%0.70178%0.777SS**  trans44.3110.3133.3-56.6-10.7000122.7
835T30.9Very low31.6Very low127 Ų127139.9 Ų139.978%0.77978%0.777SS**  26.6153.8111.6590000120.7
836P36Very low31.8Very low111 Ų111138.3 Ų138.372%0.72178%0.776SS**  cis-158.516841.444.9-22.9000122.4
837S31.9Very low32.1Very low116 Ų116140.4 Ų140.481%0.81178%0.779SS**  trans62.2135.2134.564.90000126
838G34.9Very low32.8Very low65 Ų65144.7 Ų144.767%0.6781%0.81SS**  trans170.689.8153.400000110.7
839L35.2Very low32.9Very low174 Ų174140.1 Ų140.191%0.91180%0.804SS**  65.9131.495.2-69164.4000114.3
840S34.5Very low33.3Very low107 Ų107138.1 Ų138.175%0.74880%0.802SS**  cis-158.5158-4.358.30000113.3
841S31.5Very low33.5Very low97 Ų97136.3 Ų136.368%0.67880%0.8SS**  trans-62.4157.4175.250.70000117.9
842Y31.5Very low33.7Very low231 Ų231137 Ų13791%0.90680%0.802SS**  trans-159.4132.2136.7-105.9-73.3000112.1
843P37.1Very low34.2Very low98 Ų98136.5 Ų136.564%0.63681%0.806SS**  trans-121.8168.4169.239.7-29.2000114.5
844N33.4Very low34.5Very low147 Ų147136.7 Ų136.779%0.78681%0.806SS**  trans68.1121.7164.5-61.4-17.9000119.2
845H35.4Very low34.7Very low193 Ų193137.1 Ų137.189%0.89481%0.813SS**  -156.8136.5114-108.3-74000110.7
846A34Very low35Very low83 Ų83137.9 Ų137.969%0.68682%0.816SS**  trans-110.3147.3165.800000109
847N39.3Very low34.9Very low153 Ų153140.2 Ų140.282%0.81882%0.824SS**  trans-173.7149145.8-100.6-14.9000110.7
848T40.6Very low35.2Very low218 Ų218142.4 Ų142.4100%1.33783%0.825SS**  trans59.50179.556.60000117.2

Retrieved 848 of 848 residues in 240.1 ms (Link to these results)