W5L3Y9_ASTMX Loading...

Adt-1/2-like domain-containing protein

AlphaFold DB , UniProt , Accession W5L3Y9, Species ASTMX (Astyanax mexicanus, Blind cave fish), Gene n/a, Length 249 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.3Very low46.8Very low243 Ų243160 Ų160100%1.19782%0.823SS**  0107.10-84.2-169.9-92.300108.1K3M1-K3 PolarHBondContact O-N 2.79Å
2I38.6Very low49.2Very low165 Ų165154.1 Ų154.185%0.84679%0.794SS**  trans-79.3114.9-178.6-67.2156.1000107.6V4I2-V4 HydrophobicContact CG2-CG2 4.18Å
3K40.1Very low51.6Low196 Ų196149.3 Ų149.385%0.85278%0.779SS**  trans-111107.6164.2-84.3-175.9175.51780107.9M1M1-K3 PolarHBondContact O-N 2.79Å
4V46.5Very low53.8Low119 Ų119151.8 Ų151.872%0.72178%0.775SS**  trans-65.1126.2168.2177.40000107.8I2I2-V4 HydrophobicContact CG2-CG2 4.18Å
5Y46.9Very low55.7Low222 Ų222148.5 Ų148.587%0.87176%0.759SS**  trans-81.2115.8161.3-91.3-96.1000107.2
6C46.5Very low57.6Low107 Ų107145.4 Ų145.472%0.72374%0.744SS**  trans-85115.1164.8-91.90000108.2I8C6-I8 PolarHBondContact O-N 3.02Å
7D43.2Very low59.3Low143 Ų143142.6 Ų142.677%0.76573%0.73SS**  trans-63114.6167.4-81.3-45.3000110.2
8I48.9Very low61Low158 Ų158140.6 Ų140.681%0.8172%0.721SS**  trans-99.381.8171.6-58.5168.8000107.5C6C6-I8 PolarHBondContact O-N 3.02Å
9W48.8Very low62.6Low225 Ų225138.2 Ų138.285%0.85271%0.709SS**  trans-96.876.6157.5-73.385.5000107.8T11W9-T11 VanDerWaalsContact C-N 3.32Å; W9-T11 PolarHBondContact O-N 3.13Å
10G53.3Low64.1Low71 Ų71136.2 Ų136.273%0.73270%0.699SS**  trans-72.685.5173.300000110.1N12G10-N12 PolarHBondContact O-N 3.23Å
11T64.5Low65.6Low111 Ų111134.5 Ų134.568%0.68169%0.691SS**  trans-64.1125170.545.70000109W9 P13W9-T11 VanDerWaalsContact C-N 3.32Å; W9-T11 PolarHBondContact O-N 3.13Å; T11-P13 WeakPolarHBondContact O-CD 3.37Å
12N76.3Confident68.3Low89 Ų89127.7 Ų127.748%0.47666%0.659SS.*  trans-62.8117179.1-176.9-22000109G10 Y14 L15 L16G10-N12 PolarHBondContact O-N 3.23Å; N12-Y14 PolarHBondContact O-N 3.44Å; N12-Y14 VanDerWaalsContact O-N 3.15Å; N12-Y14 WeakPolarHBondContact OD1-CB 3.47Å; N12-Y14 WeakPolarHBondContact OD1-CD2 3.28Å; N12-Y14 PolarHBondContact OD1-N 2.87Å; N12-Y14 VanDerWaalsContact OD1-N 3.09Å; N12-L15 HydrophobicContact CB-CB 4.15Å; N12-L15 WeakPolarHBondContact O-CB 3.18Å; N12-L15 PolarHBondContact O-N 3.38Å; N12-L16 PolarHBondContact O-N 2.89Å
13P80.4Confident71.1Confident92 Ų92124.6 Ų124.660%0.59764%0.643SS**Hα-helixtrans-61.8-26.1-174.824.5-34.3000112.8T11 L17T11-P13 WeakPolarHBondContact O-CD 3.37Å; P13-L17 WeakPolarHBondContact O-CB 3.41Å; P13-L17 PolarHBondContact O-N 3.13Å
14Y82Confident73.7Confident184 Ų184120 Ų12072%0.72263%0.628SS**Hα-helixtrans-71.1-32.4174.4-61.8-75.6000112.4N12 L18N12-Y14 PolarHBondContact O-N 3.44Å; N12-Y14 VanDerWaalsContact O-N 3.15Å; N12-Y14 WeakPolarHBondContact OD1-CB 3.47Å; N12-Y14 WeakPolarHBondContact OD1-CD2 3.28Å; N12-Y14 PolarHBondContact OD1-N 2.87Å; N12-Y14 VanDerWaalsContact OD1-N 3.09Å; Y14-L18 WeakPolarHBondContact O-CB 3.29Å; Y14-L18 PolarHBondContact O-N 2.92Å
15L83.1Confident76.1Confident102 Ų102119.2 Ų119.253%0.53462%0.619SS.*Hα-helixtrans-71.1-39.6175.8-174.964.5000111N12 L18 L19N12-L15 HydrophobicContact CB-CB 4.15Å; N12-L15 WeakPolarHBondContact O-CB 3.18Å; N12-L15 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 2.86Å; L15-L19 HydrophobicContact CG-CD1 4.34Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 2.98Å
16L84.8Confident78.4Confident100 Ų100113.3 Ų113.352%0.52460%0.602SS.*Hα-helixtrans-64.2-43.1174-170.970.5000111.2N12 L19 L20N12-L16 PolarHBondContact O-N 2.89Å; L16-L19 PolarHBondContact O-N 3.16Å; L16-L20 HydrophobicContact CG-CD1 4.32Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.41Å
17L87.6Confident80.8Confident97 Ų97113.8 Ų113.851%0.50860%0.597SS.*Hα-helixtrans-63-41.7175.4-174.265.7000111.9P13 L20 L21P13-L17 WeakPolarHBondContact O-CB 3.41Å; P13-L17 PolarHBondContact O-N 3.13Å; L17-L20 PolarHBondContact O-N 3.45Å; L17-L21 HydrophobicContact CG-CD1 4.24Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.02Å; L17-L21 PolarHBondContact O-N 3.21Å
18L89.8Confident83.3Confident107 Ų107112.3 Ų112.356%0.5659%0.588SS**Hα-helixtrans-63.9-42.6176.6-168.975.1000111.7Y14 L15 L21 L22Y14-L18 WeakPolarHBondContact O-CB 3.29Å; Y14-L18 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 2.86Å; L18-L21 PolarHBondContact O-N 3.35Å; L18-L22 VanDerWaalsContact O-CB 3.32Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 3.22Å
19L91.1Very high85.6Confident94 Ų94109.5 Ų109.549%0.49257%0.574SS.*Hα-helixtrans-64.4-40175.8-74.3168.4000111.9L15 L16 L22 L23L15-L19 HydrophobicContact CG-CD1 4.34Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 3.16Å; L19-L22 PolarHBondContact O-N 3.12Å; L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 3.48Å
20L93.2Very high87.9Confident98 Ų98106.1 Ų106.151%0.51356%0.562SS.*Hα-helixtrans-66-42175.4-73.6170000112.1L16 L17 L22 L23 L24L16-L20 HydrophobicContact CG-CD1 4.32Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.41Å; L17-L20 PolarHBondContact O-N 3.45Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L20-L23 PolarHBondContact O-N 3.31Å; L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.12Å
21L94.6Very high89.9Confident102 Ų102110.6 Ų110.653%0.53456%0.558SS.*Hα-helixtrans-64.3-39.9175.2-73.9170.1000111.8L17 L18 L24 L25L17-L21 HydrophobicContact CG-CD1 4.24Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.02Å; L17-L21 PolarHBondContact O-N 3.21Å; L18-L21 PolarHBondContact O-N 3.35Å; L21-L24 PolarHBondContact O-N 2.65Å; L21-L25 WeakPolarHBondContact O-CB 3.23Å; L21-L25 PolarHBondContact O-N 3.42Å
22L95.3Very high91.4Very high99 Ų99112.5 Ų112.552%0.51855%0.554SS.*Hα-helixtrans-69.7-41.2178.7-162.5138.6000111.5L18 L19 L20 L25 L26L18-L22 VanDerWaalsContact O-CB 3.32Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 3.22Å; L19-L22 PolarHBondContact O-N 3.12Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L22-L25 PolarHBondContact O-N 3.38Å; L22-L26 HydrophobicContact CD2-CD1 3.74Å; L22-L26 HydrophobicContact CD2-CG 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.07Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 3.41Å
23L95.5Very high92.3Very high100 Ų100115.6 Ų115.652%0.52456%0.56SS.*Hα-helixtrans-60.9-43.3171.5-82.9162.9000112L19 L20 L26 L27L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 3.48Å; L20-L23 PolarHBondContact O-N 3.31Å; L23-L26 PolarHBondContact O-N 3.39Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.05Å; L23-L27 PolarHBondContact O-N 3.13Å
24L96Very high92.9Very high101 Ų101117.5 Ų117.553%0.52956%0.556SS.*Hα-helixtrans-65.3-40.2178.6-165.2144000111.3L20 L21 L27 L28L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.12Å; L21-L24 PolarHBondContact O-N 2.65Å; L24-L27 PolarHBondContact O-N 2.87Å; L24-L28 HydrophobicContact CD2-CD1 3.67Å; L24-L28 HydrophobicContact CD2-CG 4.18Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 3.31Å
25L96.1Very high93.4Very high102 Ų102114.7 Ų114.753%0.53455%0.545SS..Hα-helixtrans-65.5-41.7175.3-169133.9000112L21 L22 L28 L29L21-L25 WeakPolarHBondContact O-CB 3.23Å; L21-L25 PolarHBondContact O-N 3.42Å; L22-L25 PolarHBondContact O-N 3.38Å; L25-L28 PolarHBondContact O-N 3.16Å; L25-L29 HydrophobicContact CD2-CD1 3.67Å; L25-L29 HydrophobicContact CD2-CG 4.36Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 2.82Å; L25-L29 PolarHBondContact O-N 2.98Å
26L96.2Very high93.7Very high98 Ų98112.7 Ų112.751%0.51353%0.534SS..Hα-helixtrans-63.2-40.2174.6-71.4174.7000112.2L22 L23 L29 Y30L22-L26 HydrophobicContact CD2-CD1 3.74Å; L22-L26 HydrophobicContact CD2-CG 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.07Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 3.41Å; L23-L26 PolarHBondContact O-N 3.39Å; L26-L29 PolarHBondContact O-N 2.03Å; L26-Y30 WeakPolarHBondContact O-CB 3.09Å; L26-Y30 PolarHBondContact O-N 2.87Å
27L96.4Very high93.9Very high117 Ų117110.5 Ų110.561%0.61352%0.523SS*.Hα-helixtrans-65.3-41.2175.5-73.9171.3000112.1L23 L24 Y30 Y31L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.05Å; L23-L27 PolarHBondContact O-N 3.13Å; L24-L27 PolarHBondContact O-N 2.87Å; L27-Y30 PolarHBondContact O-N 2.86Å; L27-Y31 PolarHBondContact O-N 3.27Å
28L96.4Very high93.8Very high111 Ų111110 Ų11058%0.58152%0.519SS*.Hα-helixtrans-63.6-42.9175.4-72.9176.2000111.8L24 L25 Y31 Y32L24-L28 HydrophobicContact CD2-CD1 3.67Å; L24-L28 HydrophobicContact CD2-CG 4.18Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 3.31Å; L25-L28 PolarHBondContact O-N 3.16Å; L28-Y31 PolarHBondContact O-N 3.28Å; L28-Y32 WeakPolarHBondContact O-CB 3.21Å; L28-Y32 PolarHBondContact O-N 2.78Å
29L96.4Very high93.5Very high99 Ų99108.5 Ų108.552%0.51851%0.512SS..Hα-helixtrans-64.3-41176.4-71.7174.9000111.9L25 L26 Y32 Y33L25-L29 HydrophobicContact CD2-CD1 3.67Å; L25-L29 HydrophobicContact CD2-CG 4.36Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 2.82Å; L25-L29 PolarHBondContact O-N 2.98Å; L26-L29 PolarHBondContact O-N 2.03Å; L29-Y32 PolarHBondContact O-N 2.91Å; L29-Y33 WeakPolarHBondContact O-CB 3.41Å; L29-Y33 PolarHBondContact O-N 2.05Å
30Y96.3Very high92.9Very high155 Ų155108.7 Ų108.761%0.60851%0.512SS*.Hα-helixtrans-61.5-46.5175.3176.6-98.8000111.8L26 L27 Y33 Y34L26-Y30 WeakPolarHBondContact O-CB 3.09Å; L26-Y30 PolarHBondContact O-N 2.87Å; L27-Y30 PolarHBondContact O-N 2.86Å; Y30-Y33 PolarHBondContact O-N 2.8Å; Y30-Y34 WeakPolarHBondContact O-CB 3.13Å; Y30-Y34 PolarHBondContact O-N 3.11Å
31Y96.1Very high92.2Very high165 Ų165109.1 Ų109.165%0.64751%0.514SS*.Hα-helixtrans-65.1-41.5179-167.4-96.7000111.9L27 L28 Y34 Y35L27-Y31 PolarHBondContact O-N 3.27Å; L28-Y31 PolarHBondContact O-N 3.28Å; Y31-Y34 PolarHBondContact O-N 2.85Å; Y31-Y35 WeakPolarHBondContact O-CB 3.38Å; Y31-Y35 PolarHBondContact O-N 2.77Å
32Y95.4Very high91Very high151 Ų151108.1 Ų108.159%0.59252%0.515SS*.Hα-helixtrans-61.5-46175.1-177.9-101.8000111.8L28 L29 Y34 Y35 I36L28-Y32 WeakPolarHBondContact O-CB 3.21Å; L28-Y32 PolarHBondContact O-N 2.78Å; L29-Y32 PolarHBondContact O-N 2.91Å; Y32-Y34 PolarHBondContact O-N 3.41Å; Y32-Y35 WeakPolarHBondContact O-CB 2.9Å; Y32-Y35 PolarHBondContact O-N 3.13Å; Y32-I36 HydrophobicContact CD1-CG1 4.32Å; Y32-I36 HydrophobicContact CE1-CD1 4.42Å; Y32-I36 HydrophobicContact CE1-CG1 3.94Å; Y32-I36 HydrophobicContact CE2-CD1 4.43Å; Y32-I36 HydrophobicContact CE2-CG1 4.47Å; Y32-I36 WeakPolarHBondContact O-CG1 3.24Å; Y32-I36 PolarHBondContact O-N 3Å
33Y94.9Very high89.5Confident153 Ų153107.7 Ų107.760%0.652%0.521SS*.Hα-helixtrans-60.3-45.6176.5-177.6-98000111.8L29 Y30 Y35 I36 I37L29-Y33 WeakPolarHBondContact O-CB 3.41Å; L29-Y33 PolarHBondContact O-N 2.05Å; Y30-Y33 PolarHBondContact O-N 2.8Å; Y33-Y35 VanDerWaalsContact C-N 3.32Å; Y33-Y35 PolarHBondContact O-N 3.49Å; Y33-I36 PolarHBondContact O-N 3.13Å; Y33-I37 HydrophobicContact CD1-CG1 4.16Å; Y33-I37 HydrophobicContact CE1-CD1 4.21Å; Y33-I37 HydrophobicContact CE1-CG1 3.77Å; Y33-I37 WeakPolarHBondContact O-CG1 3.38Å; Y33-I37 PolarHBondContact O-N 3.17Å
34Y94.4Very high87.9Confident132 Ų132107.2 Ų107.252%0.51853%0.526SS..Hα-helixtrans-62-39.7177.7-163.9-101.1000112.1Y30 Y31 Y32 I37 I38Y30-Y34 WeakPolarHBondContact O-CB 3.13Å; Y30-Y34 PolarHBondContact O-N 3.11Å; Y31-Y34 PolarHBondContact O-N 2.85Å; Y32-Y34 PolarHBondContact O-N 3.41Å; Y34-I37 PolarHBondContact O-N 2.89Å; Y34-I38 HydrophobicContact CD1-CD1 3.7Å; Y34-I38 HydrophobicContact CD1-CG1 4.32Å; Y34-I38 HydrophobicContact CE1-CD1 3.54Å; Y34-I38 HydrophobicContact CE1-CG1 4.19Å; Y34-I38 WeakPolarHBondContact O-CG1 3.24Å; Y34-I38 PolarHBondContact O-N 3.45Å
35Y92.8Very high86.3Confident126 Ų126107.6 Ų107.649%0.49453%0.532SS..Hα-helixtrans-62.4-44.1174.9-176.4-97.1000112.5Y31 Y32 Y33 I37 I38 I39Y31-Y35 WeakPolarHBondContact O-CB 3.38Å; Y31-Y35 PolarHBondContact O-N 2.77Å; Y32-Y35 WeakPolarHBondContact O-CB 2.9Å; Y32-Y35 PolarHBondContact O-N 3.13Å; Y33-Y35 VanDerWaalsContact C-N 3.32Å; Y33-Y35 PolarHBondContact O-N 3.49Å; Y35-I37 VanDerWaalsContact C-N 3.33Å; Y35-I37 PolarHBondContact O-N 2.79Å; Y35-I38 PolarHBondContact O-N 3.03Å; Y35-I39 HydrophobicContact CD1-CD1 4.12Å; Y35-I39 HydrophobicContact CD1-CG1 4.45Å; Y35-I39 HydrophobicContact CE1-CD1 3.39Å; Y35-I39 HydrophobicContact CE1-CG1 4.07Å; Y35-I39 PolarHBondContact O-N 3.08Å
36I89.1Confident84.9Confident59 Ų59106 Ų10630%0.30354%0.54SS..Hα-helixtrans-61-42.7175.3-66.7-63.5000111.1Y32 Y33 I38 I39 I40Y32-I36 HydrophobicContact CD1-CG1 4.32Å; Y32-I36 HydrophobicContact CE1-CD1 4.42Å; Y32-I36 HydrophobicContact CE1-CG1 3.94Å; Y32-I36 HydrophobicContact CE2-CD1 4.43Å; Y32-I36 HydrophobicContact CE2-CG1 4.47Å; Y32-I36 WeakPolarHBondContact O-CG1 3.24Å; Y32-I36 PolarHBondContact O-N 3Å; Y33-I36 PolarHBondContact O-N 3.13Å; I36-I38 VanDerWaalsContact C-N 3.34Å; I36-I38 PolarHBondContact O-N 3.11Å; I36-I39 PolarHBondContact O-N 2.75Å; I36-I40 HydrophobicContact CG2-CD1 3.77Å; I36-I40 HydrophobicContact CG2-CG1 4.4Å; I36-I40 VanDerWaalsContact O-CG1 3.32Å; I36-I40 WeakPolarHBondContact O-CG1 3.27Å; I36-I40 PolarHBondContact O-N 3.29Å
37I88Confident83.8Confident55 Ų55108.1 Ų108.128%0.28255%0.552SS.*Hα-helixtrans-61-42.4176.3-67.2-67.4000111.3Y33 Y34 Y35 I39 I40 I41Y33-I37 HydrophobicContact CD1-CG1 4.16Å; Y33-I37 HydrophobicContact CE1-CD1 4.21Å; Y33-I37 HydrophobicContact CE1-CG1 3.77Å; Y33-I37 WeakPolarHBondContact O-CG1 3.38Å; Y33-I37 PolarHBondContact O-N 3.17Å; Y34-I37 PolarHBondContact O-N 2.89Å; Y35-I37 VanDerWaalsContact C-N 3.33Å; Y35-I37 PolarHBondContact O-N 2.79Å; I37-I39 PolarHBondContact O-N 3.23Å; I37-I40 PolarHBondContact O-N 3.43Å; I37-I41 HydrophobicContact CG2-CD1 3.64Å; I37-I41 HydrophobicContact CG2-CG1 4.37Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.32Å; I37-I41 PolarHBondContact O-N 2.83Å
38I86.3Confident82.5Confident85 Ų85108.9 Ų108.944%0.43657%0.566SS.*Hα-helixtrans-60.8-44175.5-70.6173.6000111.4Y34 Y35 I36 I40 I41 S42Y34-I38 HydrophobicContact CD1-CD1 3.7Å; Y34-I38 HydrophobicContact CD1-CG1 4.32Å; Y34-I38 HydrophobicContact CE1-CD1 3.54Å; Y34-I38 HydrophobicContact CE1-CG1 4.19Å; Y34-I38 WeakPolarHBondContact O-CG1 3.24Å; Y34-I38 PolarHBondContact O-N 3.45Å; Y35-I38 PolarHBondContact O-N 3.03Å; I36-I38 VanDerWaalsContact C-N 3.34Å; I36-I38 PolarHBondContact O-N 3.11Å; I38-I40 VanDerWaalsContact C-N 3.34Å; I38-I40 PolarHBondContact O-N 3.27Å; I38-I41 PolarHBondContact O-N 3.49Å; I38-S42 PolarHBondContact O-N 2.77Å; I38-S42 PolarHBondContact O-OG 3.13Å
39I82.3Confident81.6Confident77 Ų77109.9 Ų109.940%0.39558%0.576SS.*Hα-helixtrans-62.6-41.2177.1-72-163.2000111.6Y35 I36 I37 S42 S43Y35-I39 HydrophobicContact CD1-CD1 4.12Å; Y35-I39 HydrophobicContact CD1-CG1 4.45Å; Y35-I39 HydrophobicContact CE1-CD1 3.39Å; Y35-I39 HydrophobicContact CE1-CG1 4.07Å; Y35-I39 PolarHBondContact O-N 3.08Å; I36-I39 PolarHBondContact O-N 2.75Å; I37-I39 PolarHBondContact O-N 3.23Å; I39-S42 PolarHBondContact O-N 2.93Å; I39-S42 PolarHBondContact O-OG 2.7Å; I39-S43 PolarHBondContact O-N 2.85Å
40I80.3Confident80.5Confident98 Ų98110.1 Ų110.150%0.50359%0.586SS.*Hα-helixtrans-64.9-44.2178-67.4167.7000110I36 I37 I38 S43I36-I40 HydrophobicContact CG2-CD1 3.77Å; I36-I40 HydrophobicContact CG2-CG1 4.4Å; I36-I40 VanDerWaalsContact O-CG1 3.32Å; I36-I40 WeakPolarHBondContact O-CG1 3.27Å; I36-I40 PolarHBondContact O-N 3.29Å; I37-I40 PolarHBondContact O-N 3.43Å; I38-I40 VanDerWaalsContact C-N 3.34Å; I38-I40 PolarHBondContact O-N 3.27Å; I40-S43 PolarHBondContact O-N 3.02Å; I40-S43 PolarHBondContact O-OG 2.85Å
41I76.8Confident78.6Confident107 Ų107112.5 Ų112.555%0.54960%0.599SS.*Hα-helixtrans-64.8-41.3179.3-65.9167.1000111.2I37 I38 S43 S44I37-I41 HydrophobicContact CG2-CD1 3.64Å; I37-I41 HydrophobicContact CG2-CG1 4.37Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.32Å; I37-I41 PolarHBondContact O-N 2.83Å; I38-I41 PolarHBondContact O-N 3.49Å; I41-S43 VanDerWaalsContact C-N 3.25Å; I41-S43 PolarHBondContact O-N 3.43Å; I41-S44 PolarHBondContact O-N 3.4Å; I41-S44 PolarHBondContact O-OG 2.84Å
42S70.3Confident77.1Confident81 Ų81110 Ų11057%0.56660%0.602SS**Hα-helixtrans-69.9-18.5178.363.90000114.2I38 I39 S44I38-S42 PolarHBondContact O-N 2.77Å; I38-S42 PolarHBondContact O-OG 3.13Å; I39-S42 PolarHBondContact O-N 2.93Å; I39-S42 PolarHBondContact O-OG 2.7Å; S42-S44 VanDerWaalsContact C-N 3.32Å
43S63.6Low75.5Confident90 Ų90108.5 Ų108.563%0.62961%0.61SS**THydrogen-bonded Turntrans-82.2-3.9174.972.60000114.6I39 I40 I41I39-S43 PolarHBondContact O-N 2.85Å; I40-S43 PolarHBondContact O-N 3.02Å; I40-S43 PolarHBondContact O-OG 2.85Å; I41-S43 VanDerWaalsContact C-N 3.25Å; I41-S43 PolarHBondContact O-N 3.43Å
44S61.5Low74Confident90 Ų90108.3 Ų108.363%0.62962%0.618SS**THydrogen-bonded Turntrans-94.7-2-172.867.80000115.4I41 S42 G46I41-S44 PolarHBondContact O-N 3.4Å; I41-S44 PolarHBondContact O-OG 2.84Å; S42-S44 VanDerWaalsContact C-N 3.32Å; S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.94Å
45T63.4Low72.4Confident109 Ų109107.2 Ų107.267%0.66963%0.627SS**  trans-88.471.9166.957.50000109.8D47T45-D47 PolarHBondContact O-N 3.19Å; T45-D47 VanDerWaalsContact O-N 3.13Å
46G66.1Low70.8Confident67 Ų67109.7 Ų109.769%0.69164%0.643SS**  trans-70.898.9164.500000108.8S44 C48S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.94Å; G46-C48 PolarHBondContact O-N 3.38Å
47D73.1Confident69.1Low143 Ų143113 Ų11377%0.76566%0.657SS**  trans-62.2123174.5-75.1-42.9000110T45 V49T45-D47 PolarHBondContact O-N 3.19Å; T45-D47 VanDerWaalsContact O-N 3.13Å; D47-V49 VanDerWaalsContact C-N 3.34Å; D47-V49 PolarHBondContact O-N 3.39Å
48C70.1Confident67.6Low134 Ų134114.7 Ų114.791%0.90567%0.67SS**  trans-67.892.9170.2-70.90000109.1G46G46-C48 PolarHBondContact O-N 3.38Å
49V76.1Confident66.3Low132 Ų132115.5 Ų115.580%0.868%0.675SS**  trans-73.4130.5170.2-138.40000108.6D47D47-V49 VanDerWaalsContact C-N 3.34Å; D47-V49 PolarHBondContact O-N 3.39Å
50S73.4Confident65.4Low103 Ų103112.2 Ų112.272%0.7266%0.66SS**  trans-58.4140.5173.947.60000109.9T52S50-T52 PolarHBondContact O-N 3.39Å
51K56.3Low65.2Low206 Ų206113.7 Ų113.790%0.89667%0.668SS**  trans-58.3110.5170.2-70.4-171.4178.4-177.80107.1
52T65.1Low65.6Low113 Ų113111.6 Ų111.669%0.69365%0.654SS**PPolyproline II helixtrans-51.3142.3161.944.70000107.5S50 I54S50-T52 PolarHBondContact O-N 3.39Å; T52-I54 PolarHBondContact O-N 3.42Å
53P62.6Low66.4Low118 Ų118110 Ų11077%0.76664%0.643SS**PPolyproline II helixtrans-51.4122.6170.5-18.829.2000106.5P55P53-P55 VanDerWaalsContact O-CD 3.31Å; P53-P55 WeakPolarHBondContact O-CD 3.48Å
54I62.6Low67.6Low149 Ų149113.5 Ų113.576%0.76465%0.654SS**PPolyproline II helixtrans-49.4116.8170.9-61165000104.3T52 Q56T52-I54 PolarHBondContact O-N 3.42Å; I54-Q56 PolarHBondContact O-N 2.77Å
55P60Low69.1Low109 Ų109112.8 Ų112.871%0.70864%0.637SS**PPolyproline II helixtrans-53.5125.6175.819.5-28.1000105.6P53 H57P53-P55 VanDerWaalsContact O-CD 3.31Å; P53-P55 WeakPolarHBondContact O-CD 3.48Å; P55-H57 PolarHBondContact O-N 2.89Å
56Q60.8Low70.6Confident178 Ų178110.2 Ų110.283%0.83262%0.624SS**  trans-42130.2-178-76.2-173.9-31.700108.5I54 V58I54-Q56 PolarHBondContact O-N 2.77Å; Q56-V58 VanDerWaalsContact C-N 3.26Å; Q56-V58 WeakPolarHBondContact O-CG2 3.46Å; Q56-V58 PolarHBondContact O-N 3.49Å
57H52.4Low72Confident130 Ų130115.8 Ų115.860%0.60263%0.632SS**  trans-57.193.9178.9-162.9-83.5000107.6P55 D59P55-H57 PolarHBondContact O-N 2.89Å; H57-D59 IonicContact CE1-OD1 3.23Å; H57-D59 PolarHBondContact CE1-OD1 2.69Å; H57-D59 VanDerWaalsContact CE1-OD1 3.23Å; H57-D59 IonicContact ND1-OD1 2.8Å; H57-D59 PolarHBondContact ND1-OD1 2.74Å; H57-D59 PolarHBondContact O-N 2.91Å
58V57.4Low73.2Confident90 Ų90112.4 Ų112.455%0.54561%0.608SS.*  trans-79.2104.2170.5-169.90000103.7Q56 G60 P89Q56-V58 VanDerWaalsContact C-N 3.26Å; Q56-V58 WeakPolarHBondContact O-CG2 3.46Å; Q56-V58 PolarHBondContact O-N 3.49Å; V58-G60 PolarHBondContact O-N 2.7Å; V58-P89 HydrophobicContact CB-CG 3.78Å; V58-P89 HydrophobicContact CG1-CG 3.54Å; V58-P89 WeakPolarHBondContact O-CG 3.39Å
59D58.1Low74.5Confident102 Ų102107.5 Ų107.555%0.54558%0.576SS.*PPolyproline II helixtrans-53.7129.3170.5-68.6-27.9000107.6H57 D61H57-D59 IonicContact CE1-OD1 3.23Å; H57-D59 PolarHBondContact CE1-OD1 2.69Å; H57-D59 VanDerWaalsContact CE1-OD1 3.23Å; H57-D59 IonicContact ND1-OD1 2.8Å; H57-D59 PolarHBondContact ND1-OD1 2.74Å; H57-D59 PolarHBondContact O-N 2.91Å; D59-D61 PolarHBondContact O-N 2.9Å
60G63.9Low75.4Confident7 Ų7109.6 Ų109.67%0.07258%0.579CS.*PPolyproline II helixtrans-63134.8179.100000111.2V58 P89 N91 C92V58-G60 PolarHBondContact O-N 2.7Å; G60-P89 WeakPolarHBondContact CA-O 3.43Å; G60-N91 PolarHBondContact N-O 2.81Å; G60-C92 PolarHBondContact O-SG 3.25Å
61D76.4Confident76.5Confident129 Ų129106.7 Ų106.769%0.6956%0.558SS**PPolyproline II helixtrans-82.9127171.5-83.8-28.3000110.4D59D59-D61 PolarHBondContact O-N 2.9Å
62W84.6Confident78.4Confident63 Ų6399 Ų9924%0.23953%0.53CS..PPolyproline II helixtrans-66.5137.6171.5-78.8110.9000110.4R84 C86 C92 V93 G94W62-R84 VanDerWaalsContact CD1-CZ 3.49Å; W62-R84 HydrophobicContact CD2-CG 4.11Å; W62-R84 VanDerWaalsContact CE2-NH2 3.25Å; W62-R84 HydrophobicContact CE3-CB 4.3Å; W62-R84 VanDerWaalsContact CE3-CD 3.42Å; W62-R84 HydrophobicContact CE3-CG 3.45Å; W62-R84 VanDerWaalsContact CE3-CG 3.45Å; W62-R84 VanDerWaalsContact CG-CZ 3.42Å; W62-R84 VanDerWaalsContact CG-NH1 3.26Å; W62-R84 HydrophobicContact CZ3-CG 3.8Å; W62-C86 HydrophobicContact CE3-CB 3.96Å; W62-C86 HydrophobicContact CH2-CB 4.2Å; W62-C86 HydrophobicContact CZ3-CB 3.7Å; W62-C92 HydrophobicContact CD2-CB 3.58Å; W62-C92 HydrophobicContact CE3-CB 4.13Å; W62-C92 HydrophobicContact CG-CB 4.04Å; W62-C92 HydrophobicContact CH2-CB 4.02Å; W62-C92 HydrophobicContact CZ2-CB 3.43Å; W62-C92 VanDerWaalsContact CZ2-CB 3.43Å; W62-C92 HydrophobicContact CZ3-CB 4.34Å; W62-V93 PolarHBondContact NE1-O 3.49Å; W62-G94 WeakPolarHBondContact CZ2-O 3.41Å
63S86.4Confident79.6Confident49 Ų4995.4 Ų95.434%0.34350%0.504SS..PPolyproline II helixtrans-60.5161.8165.383.10000110.6W65 K85S63-W65 PolarHBondContact O-N 3.44Å; S63-K85 WeakPolarHBondContact CB-O 3Å; S63-K85 PolarHBondContact N-O 2.97Å; S63-K85 PolarHBondContact OG-N 3.41Å
64L89.4Confident81Confident163 Ų16396 Ų9685%0.85351%0.505SS*.PPolyproline II helixtrans-54.8144.5164.8-67173.8000110.1
65W92.9Very high82.4Confident74 Ų7490.5 Ų90.528%0.2848%0.48SS..PPolyproline II helixtrans-63.3140.5172.6-74.1107000110.8S63 R82 R84 E98S63-W65 PolarHBondContact O-N 3.44Å; W65-R82 HydrophobicContact CD2-CG 4.2Å; W65-R82 HydrophobicContact CE3-CB 4.39Å; W65-R82 HydrophobicContact CE3-CG 3.63Å; W65-R82 HydrophobicContact CZ3-CG 4.08Å; W65-R84 HydrophobicContact CD2-CB 4.03Å; W65-R84 HydrophobicContact CD2-CG 4.04Å; W65-R84 HydrophobicContact CE3-CB 3.7Å; W65-R84 HydrophobicContact CE3-CG 3.67Å; W65-R84 HydrophobicContact CH2-CG 3.69Å; W65-R84 VanDerWaalsContact CH2-NE 3.33Å; W65-R84 VanDerWaalsContact CZ2-CD 3.41Å; W65-R84 HydrophobicContact CZ2-CG 4.05Å; W65-R84 VanDerWaalsContact CZ2-CZ 3.44Å; W65-R84 HydrophobicContact CZ3-CB 4.03Å; W65-R84 HydrophobicContact CZ3-CG 3.49Å; W65-R84 VanDerWaalsContact CZ3-CG 3.49Å; W65-E98 HydrophobicContact CH2-CB 3.72Å; W65-E98 HydrophobicContact CZ2-CB 4.32Å; W65-E98 HydrophobicContact CZ3-CB 3.97Å
66S94.4Very high83.9Confident56 Ų5686.3 Ų86.339%0.39246%0.456SS..PPolyproline II helixtrans-61.3165.3167.376.50000110.9Q83S66-Q83 WeakPolarHBondContact CB-O 3.28Å; S66-Q83 PolarHBondContact N-O 2.82Å; S66-Q83 PolarHBondContact OG-N 3.1Å; S66-Q83 PolarHBondContact OG-O 2.6Å
67Q96.8Very high85.4Confident183 Ų18380.2 Ų80.286%0.85543%0.431SS*.PPolyproline II helixtrans-59.2152.2162-66.9-174.9-15.600110.2
68W96.8Very high87.3Confident72 Ų7274 Ų7427%0.27340%0.403SS..PPolyproline II helixtrans-64.6140.4173.1-70.4103.8000110.6R80 R82 E98 K100 I190W68-R80 HydrophobicContact CD2-CG 4.47Å; W68-R80 HydrophobicContact CE3-CG 3.95Å; W68-R82 HydrophobicContact CD2-CB 4.1Å; W68-R82 HydrophobicContact CD2-CG 4.12Å; W68-R82 HydrophobicContact CE3-CB 3.79Å; W68-R82 HydrophobicContact CE3-CG 3.8Å; W68-R82 HydrophobicContact CH2-CG 3.64Å; W68-R82 HydrophobicContact CZ2-CG 4Å; W68-R82 HydrophobicContact CZ3-CB 4.03Å; W68-R82 HydrophobicContact CZ3-CG 3.55Å; W68-E98 HydrophobicContact CH2-CG 4.23Å; W68-E98 VanDerWaalsContact CH2-OE2 3.31Å; W68-E98 WeakPolarHBondContact CH2-OE2 3.45Å; W68-K100 HydrophobicContact CE3-CB 4.17Å; W68-K100 HydrophobicContact CH2-CB 3.44Å; W68-K100 VanDerWaalsContact CH2-CB 3.44Å; W68-K100 HydrophobicContact CH2-CD 4.26Å; W68-K100 HydrophobicContact CH2-CG 4.42Å; W68-K100 HydrophobicContact CZ2-CB 3.98Å; W68-K100 HydrophobicContact CZ2-CD 3.91Å; W68-K100 HydrophobicContact CZ3-CB 3.53Å; W68-I190 HydrophobicContact CH2-CD1 4.27Å
69S97.2Very high89.2Confident32 Ų3269.9 Ų69.922%0.22438%0.378CS..PPolyproline II helixtrans-62.2167.3169.377.10000111.2R80 F81S69-R80 WeakPolarHBondContact O-CB 3.37Å; S69-R80 WeakPolarHBondContact OG-CA 3.08Å; S69-R80 WeakPolarHBondContact OG-CB 3.14Å; S69-F81 WeakPolarHBondContact CB-O 2.87Å; S69-F81 PolarHBondContact N-O 3.35Å; S69-F81 WeakPolarHBondContact OG-CD1 2.98Å; S69-F81 PolarHBondContact OG-N 2.86Å; S69-F81 PolarHBondContact OG-O 2.84Å
70M96.3Very high91Very high175 Ų17568.8 Ų68.886%0.86237%0.366SS*.PPolyproline II helixtrans-59.6153162.9-63-171.777.400110.4
71C96.2Very high92.6Very high43 Ų4372.4 Ų72.429%0.29138%0.38SS..PPolyproline II helixtrans-64.8141.5173.6-166.40000109.8R73 C102C71-R73 WeakPolarHBondContact CB-O 3.35Å; C71-R73 PolarHBondContact O-N 2.04Å; C71-R73 PolarHBondContact SG-O 3.37Å; C71-C102 WeakPolarHBondContact CA-SG 3.13Å; C71-C102 HydrophobicContact CB-CB 3.81Å; C71-C102 WeakPolarHBondContact CB-SG 3.35Å; C71-C102 WeakPolarHBondContact SG-CB 3.44Å; C71-C102 CovalentContact SG-SG 2.02Å; C71-C102 PolarHBondContact SG-SG 3.3Å
72S95.3Very high93.6Very high43 Ų4368.9 Ų68.930%0.30136%0.357SS..SBendtrans-63.4-14.1179.963.10000113.8A79 F114 D165S72-A79 WeakPolarHBondContact CB-O 3.5Å; S72-A79 PolarHBondContact N-O 2.03Å; S72-A79 PolarHBondContact OG-N 2.64Å; S72-A79 PolarHBondContact OG-O 3.03Å; S72-F114 WeakPolarHBondContact O-CE2 2.96Å; S72-D165 WeakPolarHBondContact CB-O 3.26Å; S72-D165 PolarHBondContact OG-O 2.03Å
73R91.6Very high94Very high39 Ų3970.6 Ų70.615%0.14737%0.368CS..  trans-146162.8172.262.5179.968.11485.2111.9C71 C75 T77 F114 G166C71-R73 WeakPolarHBondContact CB-O 3.35Å; C71-R73 PolarHBondContact O-N 2.04Å; C71-R73 PolarHBondContact SG-O 3.37Å; R73-C75 WeakPolarHBondContact CD-O 3.27Å; R73-C75 VanDerWaalsContact CG-O 3.24Å; R73-C75 WeakPolarHBondContact CG-O 3.15Å; R73-T77 VanDerWaalsContact CD-O 3.32Å; R73-T77 WeakPolarHBondContact CD-O 3.01Å; R73-T77 PolarHBondContact NE-O 3.13Å; R73-T77 PolarHBondContact NH1-O 3.31Å; R73-F114 HydrophobicContact CB-CD2 4.23Å; R73-F114 HydrophobicContact CB-CE2 4.24Å; R73-F114 VanDerWaalsContact CZ-CB 3.48Å; R73-G166 PolarHBondContact NH2-O 2.92Å
74T91.8Very high94.3Very high130 Ų13070.5 Ų70.580%0.79836%0.36SS*.SBendtrans-98-11.4-178.152.70000113.9P105T74-P105 WeakPolarHBondContact O-CD 3.35Å
75C91.8Very high94.3Very high33 Ų3369 Ų6922%0.22335%0.347CS..SBendtrans-134.4151.8176.471.20000110.7R73 P105 C107R73-C75 WeakPolarHBondContact CD-O 3.27Å; R73-C75 VanDerWaalsContact CG-O 3.24Å; R73-C75 WeakPolarHBondContact CG-O 3.15Å; C75-P105 CarbonylContact C-O 3.26Å; C75-P105 WeakPolarHBondContact CA-O 2.99Å; C75-P105 VanDerWaalsContact CB-O 3.23Å; C75-P105 WeakPolarHBondContact CB-O 3.33Å; C75-C107 HydrophobicContact CB-CB 3.96Å; C75-C107 WeakPolarHBondContact CB-SG 3.37Å; C75-C107 PolarHBondContact O-SG 2.91Å; C75-C107 VanDerWaalsContact SG-CA 3.6Å; C75-C107 WeakPolarHBondContact SG-CB 3.46Å; C75-C107 CovalentContact SG-SG 2.05Å; C75-C107 PolarHBondContact SG-SG 3.07Å
76G90.7Very high93.9Very high21 Ų2167.2 Ų67.222%0.21635%0.345CS..SBendtrans64.3-164.7-177.200000113.4G104 P105G76-G104 PolarHBondContact O-N 3.12Å; G76-P105 PolarHBondContact N-O 3.07Å
77T92.5Very high92.9Very high50 Ų5069.7 Ų69.731%0.30735%0.354SS..EExtended strand (participates in β ladder)trans-82.1125.4-179.9-47.40000110.7R73 A101 C102 L176 I185R73-T77 VanDerWaalsContact CD-O 3.32Å; R73-T77 WeakPolarHBondContact CD-O 3.01Å; R73-T77 PolarHBondContact NE-O 3.13Å; R73-T77 PolarHBondContact NH1-O 3.31Å; T77-A101 HydrophobicContact CG2-CB 4.46Å; T77-C102 CarbonylContact C-O 3.51Å; T77-C102 WeakPolarHBondContact CA-O 3.27Å; T77-L176 HydrophobicContact CG2-CD1 4.19Å; T77-I185 HydrophobicContact CG2-CD1 4.07Å
78G93.8Very high91.3Very high0 Ų067.6 Ų67.60%035%0.349CS..EExtended strand (participates in β ladder)trans-125.7-169.9173.100000112.3A101 C102G78-A101 WeakPolarHBondContact O-CA 3.01Å; G78-C102 PolarHBondContact N-O 3.34Å; G78-C102 PolarHBondContact O-N 3.06Å; G78-C102 PolarHBondContact O-SG 3.16Å
79A96.4Very high89.7Confident4 Ų465.9 Ų65.93%0.03335%0.347CS..EExtended strand (participates in β ladder)trans-123146.6173.600000110.9S72 G166 I191S72-A79 WeakPolarHBondContact CB-O 3.5Å; S72-A79 PolarHBondContact N-O 2.03Å; S72-A79 PolarHBondContact OG-N 2.64Å; S72-A79 PolarHBondContact OG-O 3.03Å; A79-G166 VanDerWaalsContact CB-CA 3.45Å; A79-I191 HydrophobicContact CB-CD1 3.61Å
80R96.9Very high88Confident78 Ų7868.8 Ų68.829%0.29437%0.365SS..EExtended strand (participates in β ladder)trans-129.9153.716757.5-177.6178.3175.3-6.1108.8W68 S69 H99 K100 C102W68-R80 HydrophobicContact CD2-CG 4.47Å; W68-R80 HydrophobicContact CE3-CG 3.95Å; S69-R80 WeakPolarHBondContact O-CB 3.37Å; S69-R80 WeakPolarHBondContact OG-CA 3.08Å; S69-R80 WeakPolarHBondContact OG-CB 3.14Å; R80-H99 CarbonylContact O-C 3.53Å; R80-H99 WeakPolarHBondContact O-CA 3.42Å; R80-K100 HydrophobicContact CG-CB 4.31Å; R80-K100 WeakPolarHBondContact CG-O 3.41Å; R80-K100 PolarHBondContact N-O 3.31Å; R80-K100 PolarHBondContact O-N 2.88Å; R80-C102 HydrophobicContact CG-CB 4.34Å
81F96.8Very high86.7Confident83 Ų8364.1 Ų64.136%0.36434%0.343SS..EExtended strand (participates in β ladder)trans-124.9159.3-177.971.4-87.2000111.5S69 Q83 V97 E98S69-F81 WeakPolarHBondContact CB-O 2.87Å; S69-F81 PolarHBondContact N-O 3.35Å; S69-F81 WeakPolarHBondContact OG-CD1 2.98Å; S69-F81 PolarHBondContact OG-N 2.86Å; S69-F81 PolarHBondContact OG-O 2.84Å; F81-Q83 HydrophobicContact CD2-CG 3.88Å; F81-Q83 HydrophobicContact CE2-CG 4.02Å; F81-V97 HydrophobicContact CB-CG1 4.24Å; F81-V97 HydrophobicContact CD2-CG1 4.38Å; F81-E98 CarbonylContact C-O 3.4Å; F81-E98 WeakPolarHBondContact CA-O 3.46Å
82R96.2Very high85.9Confident55 Ų5563.2 Ų63.221%0.20834%0.337CS..EExtended strand (participates in β ladder)trans-137.4157.4166.764.3179.8180167.7-1.7109W65 W68 V97 E98W65-R82 HydrophobicContact CD2-CG 4.2Å; W65-R82 HydrophobicContact CE3-CB 4.39Å; W65-R82 HydrophobicContact CE3-CG 3.63Å; W65-R82 HydrophobicContact CZ3-CG 4.08Å; W68-R82 HydrophobicContact CD2-CB 4.1Å; W68-R82 HydrophobicContact CD2-CG 4.12Å; W68-R82 HydrophobicContact CE3-CB 3.79Å; W68-R82 HydrophobicContact CE3-CG 3.8Å; W68-R82 HydrophobicContact CH2-CG 3.64Å; W68-R82 HydrophobicContact CZ2-CG 4Å; W68-R82 HydrophobicContact CZ3-CB 4.03Å; W68-R82 HydrophobicContact CZ3-CG 3.55Å; R82-V97 WeakPolarHBondContact O-CA 3.17Å; R82-E98 HydrophobicContact CG-CB 4.21Å; R82-E98 IonicContact CZ-OE2 2.66Å; R82-E98 PolarHBondContact N-O 3.13Å; R82-E98 IonicContact NE-OE2 3.9Å; R82-E98 PolarHBondContact NE-OE2 3.14Å; R82-E98 IonicContact NH2-OE1 3.72Å; R82-E98 IonicContact NH2-OE2 2.73Å; R82-E98 PolarHBondContact NH2-OE2 2.86Å; R82-E98 PolarHBondContact O-N 3.31Å
83Q94.7Very high85.2Confident100 Ų10067.4 Ų67.447%0.46736%0.361SS..EExtended strand (participates in β ladder)trans-129.3153.2-174.9-57.8-174.2-31.200110.7S66 F81 S96 V97S66-Q83 WeakPolarHBondContact CB-O 3.28Å; S66-Q83 PolarHBondContact N-O 2.82Å; S66-Q83 PolarHBondContact OG-N 3.1Å; S66-Q83 PolarHBondContact OG-O 2.6Å; F81-Q83 HydrophobicContact CD2-CG 3.88Å; F81-Q83 HydrophobicContact CE2-CG 4.02Å; Q83-S96 CarbonylContact C-O 3.53Å; Q83-S96 VanDerWaalsContact CA-O 3.26Å; Q83-S96 WeakPolarHBondContact CA-O 3.35Å; Q83-V97 HydrophobicContact CG-CG1 4.24Å; Q83-V97 HydrophobicContact CG-CG2 4.06Å
84R92.8Very high84.7Confident46 Ų4668.2 Ų68.217%0.17438%0.382CS..  trans-138.8157.2170.260.2177.9177.7174.93108.4W62 W65 G95 S96W62-R84 VanDerWaalsContact CD1-CZ 3.49Å; W62-R84 HydrophobicContact CD2-CG 4.11Å; W62-R84 VanDerWaalsContact CE2-NH2 3.25Å; W62-R84 HydrophobicContact CE3-CB 4.3Å; W62-R84 VanDerWaalsContact CE3-CD 3.42Å; W62-R84 HydrophobicContact CE3-CG 3.45Å; W62-R84 VanDerWaalsContact CE3-CG 3.45Å; W62-R84 VanDerWaalsContact CG-CZ 3.42Å; W62-R84 VanDerWaalsContact CG-NH1 3.26Å; W62-R84 HydrophobicContact CZ3-CG 3.8Å; W65-R84 HydrophobicContact CD2-CB 4.03Å; W65-R84 HydrophobicContact CD2-CG 4.04Å; W65-R84 HydrophobicContact CE3-CB 3.7Å; W65-R84 HydrophobicContact CE3-CG 3.67Å; W65-R84 HydrophobicContact CH2-CG 3.69Å; W65-R84 VanDerWaalsContact CH2-NE 3.33Å; W65-R84 VanDerWaalsContact CZ2-CD 3.41Å; W65-R84 HydrophobicContact CZ2-CG 4.05Å; W65-R84 VanDerWaalsContact CZ2-CZ 3.44Å; W65-R84 HydrophobicContact CZ3-CB 4.03Å; W65-R84 HydrophobicContact CZ3-CG 3.49Å; W65-R84 VanDerWaalsContact CZ3-CG 3.49Å; R84-G95 PolarHBondContact NE-O 2.82Å; R84-G95 PolarHBondContact NH2-O 3.46Å; R84-S96 PolarHBondContact N-O 3.49Å; R84-S96 WeakPolarHBondContact O-CB 3.5Å
85K88.1Confident84.4Confident132 Ų13264.1 Ų64.157%0.57437%0.365SS*.  trans-109.8153.3-179.4-57.4-172.1178.5-179.30111S63 D87S63-K85 WeakPolarHBondContact CB-O 3Å; S63-K85 PolarHBondContact N-O 2.97Å; S63-K85 PolarHBondContact OG-N 3.41Å; K85-D87 VanDerWaalsContact CB-CG 3.45Å; K85-D87 WeakPolarHBondContact CB-OD1 2.73Å; K85-D87 WeakPolarHBondContact CB-OD2 3.46Å; K85-D87 WeakPolarHBondContact CD-OD2 3.27Å
86C84.7Confident84.4Confident37 Ų3765.5 Ų65.525%0.2538%0.375CS..  trans-116.278.7176.2-179.10000107.1W62 C92W62-C86 HydrophobicContact CE3-CB 3.96Å; W62-C86 HydrophobicContact CH2-CB 4.2Å; W62-C86 HydrophobicContact CZ3-CB 3.7Å; C86-C92 VanDerWaalsContact CA-SG 3.59Å; C86-C92 HydrophobicContact CB-CB 3.8Å; C86-C92 WeakPolarHBondContact CB-SG 3.29Å; C86-C92 WeakPolarHBondContact SG-CB 3.44Å; C86-C92 PolarHBondContact SG-N 2.98Å; C86-C92 CovalentContact SG-SG 2.03Å; C86-C92 PolarHBondContact SG-SG 3.06Å
87D73.4Confident84.5Confident108 Ų10866.9 Ų66.958%0.57838%0.379SS*.  trans-105.4-20-162.5-67.3-13.7000113.6K85K85-D87 VanDerWaalsContact CB-CG 3.45Å; K85-D87 WeakPolarHBondContact CB-OD1 2.73Å; K85-D87 WeakPolarHBondContact CB-OD2 3.46Å; K85-D87 WeakPolarHBondContact CD-OD2 3.27Å
88N62.8Low84.7Confident139 Ų13966.7 Ų66.774%0.74338%0.375SS*.SBendtrans-169.7111.7177-146.921.3000115.2
89P64.1Low84.8Confident35 Ų3567.5 Ų67.523%0.22738%0.378CS..SBendcis-74.2158.9-8.220.3-19.7000112.7V58 G60 N91V58-P89 HydrophobicContact CB-CG 3.78Å; V58-P89 HydrophobicContact CG1-CG 3.54Å; V58-P89 WeakPolarHBondContact O-CG 3.39Å; G60-P89 WeakPolarHBondContact CA-O 3.43Å; P89-N91 PolarHBondContact O-N 2.02Å; P89-N91 VanDerWaalsContact O-N 3.12Å
90P60.7Low84.8Confident93 Ų9370.3 Ų70.360%0.60439%0.39SS*.SBendtrans-84.180.7178.632.2-33.4000110.8
91N70.1Confident84.8Confident77 Ų7767.3 Ų67.341%0.41238%0.382SS..  trans-156.247.5174.7-80.6-40.6000111.4G60 P89G60-N91 PolarHBondContact N-O 2.81Å; P89-N91 PolarHBondContact O-N 2.02Å; P89-N91 VanDerWaalsContact O-N 3.12Å
92C79.5Confident84.7Confident24 Ų2464 Ų6416%0.16237%0.369CS..  trans-91.2127.6-173.7-42.10000112.1G60 W62 C86G60-C92 PolarHBondContact O-SG 3.25Å; W62-C92 HydrophobicContact CD2-CB 3.58Å; W62-C92 HydrophobicContact CE3-CB 4.13Å; W62-C92 HydrophobicContact CG-CB 4.04Å; W62-C92 HydrophobicContact CH2-CB 4.02Å; W62-C92 HydrophobicContact CZ2-CB 3.43Å; W62-C92 VanDerWaalsContact CZ2-CB 3.43Å; W62-C92 HydrophobicContact CZ3-CB 4.34Å; C86-C92 VanDerWaalsContact CA-SG 3.59Å; C86-C92 HydrophobicContact CB-CB 3.8Å; C86-C92 WeakPolarHBondContact CB-SG 3.29Å; C86-C92 WeakPolarHBondContact SG-CB 3.44Å; C86-C92 PolarHBondContact SG-N 2.98Å; C86-C92 CovalentContact SG-SG 2.03Å; C86-C92 PolarHBondContact SG-SG 3.06Å
93V79.1Confident84.5Confident131 Ų13169.7 Ų69.779%0.79440%0.398SS*.  trans-82.1132174.6-178.80000110.2W62W62-V93 PolarHBondContact NE1-O 3.49Å
94G82.4Confident84.3Confident57 Ų5766.3 Ų66.359%0.58839%0.39SS*.SBendtrans111.8-176.6176.900000114.4W62W62-G94 WeakPolarHBondContact CZ2-O 3.41Å
95G85.8Confident84.3Confident44 Ų4468.4 Ų68.445%0.45441%0.409SS..  trans-79.8143-178.800000113.2R84R84-G95 PolarHBondContact NE-O 2.82Å; R84-G95 PolarHBondContact NH2-O 3.46Å
96S90.9Very high84.4Confident61 Ų6167.9 Ų67.943%0.42742%0.42SS..SBendtrans-82.1-15.5168.556.30000112.9Q83 R84Q83-S96 CarbonylContact C-O 3.53Å; Q83-S96 VanDerWaalsContact CA-O 3.26Å; Q83-S96 WeakPolarHBondContact CA-O 3.35Å; R84-S96 PolarHBondContact N-O 3.49Å; R84-S96 WeakPolarHBondContact O-CB 3.5Å
97V93.9Very high84.6Confident50 Ų5069 Ų6930%0.30343%0.427SS..EExtended strand (participates in β ladder)trans-126.4133.6178.8-171.10000109.1F81 R82 Q83 H99F81-V97 HydrophobicContact CB-CG1 4.24Å; F81-V97 HydrophobicContact CD2-CG1 4.38Å; R82-V97 WeakPolarHBondContact O-CA 3.17Å; Q83-V97 HydrophobicContact CG-CG1 4.24Å; Q83-V97 HydrophobicContact CG-CG2 4.06Å; V97-H99 VanDerWaalsContact CG1-CE1 3.46Å; V97-H99 WeakPolarHBondContact CG1-CE1 3.34Å
98E95.4Very high85.6Confident47 Ų4768.1 Ų68.122%0.2243%0.43CS..EExtended strand (participates in β ladder)trans-124.1141.7174.6-171.8-176.3-118.100109.8W65 W68 F81 R82 I190W65-E98 HydrophobicContact CH2-CB 3.72Å; W65-E98 HydrophobicContact CZ2-CB 4.32Å; W65-E98 HydrophobicContact CZ3-CB 3.97Å; W68-E98 HydrophobicContact CH2-CG 4.23Å; W68-E98 VanDerWaalsContact CH2-OE2 3.31Å; W68-E98 WeakPolarHBondContact CH2-OE2 3.45Å; F81-E98 CarbonylContact C-O 3.4Å; F81-E98 WeakPolarHBondContact CA-O 3.46Å; R82-E98 HydrophobicContact CG-CB 4.21Å; R82-E98 IonicContact CZ-OE2 2.66Å; R82-E98 PolarHBondContact N-O 3.13Å; R82-E98 IonicContact NE-OE2 3.9Å; R82-E98 PolarHBondContact NE-OE2 3.14Å; R82-E98 IonicContact NH2-OE1 3.72Å; R82-E98 IonicContact NH2-OE2 2.73Å; R82-E98 PolarHBondContact NH2-OE2 2.86Å; R82-E98 PolarHBondContact O-N 3.31Å; E98-I190 HydrophobicContact CG-CD1 4.4Å; E98-I190 HydrophobicContact CG-CG2 4.02Å
99H97Very high86.9Confident16 Ų1671.9 Ų71.97%0.07444%0.439CS..EExtended strand (participates in β ladder)trans-116.5136.9-180-61.978.5000110.1R80 V97 D165 V178 I191R80-H99 CarbonylContact O-C 3.53Å; R80-H99 WeakPolarHBondContact O-CA 3.42Å; V97-H99 VanDerWaalsContact CG1-CE1 3.46Å; V97-H99 WeakPolarHBondContact CG1-CE1 3.34Å; H99-D165 IonicContact NE2-OD2 3.14Å; H99-V178 HydrophobicContact CB-CG1 4.19Å; H99-V178 HydrophobicContact CB-CG2 4.31Å; H99-V178 VanDerWaalsContact CE1-CG1 3.49Å; H99-V178 WeakPolarHBondContact CE1-CG1 3.33Å; H99-V178 VanDerWaalsContact CG-CG1 3.48Å; H99-V178 WeakPolarHBondContact ND1-CG1 3.32Å; H99-I191 HydrophobicContact CB-CB 4.12Å; H99-I191 HydrophobicContact CB-CD1 4.16Å; H99-I191 PolarHBondContact O-N 3.5Å
100K96.1Very high87.8Confident63 Ų6374.3 Ų74.327%0.27447%0.471SS..EExtended strand (participates in β ladder)trans-127.1139.8177.7-172.5168.3-172.4165.90109.8W68 R80 G189 I190W68-K100 HydrophobicContact CE3-CB 4.17Å; W68-K100 HydrophobicContact CH2-CB 3.44Å; W68-K100 VanDerWaalsContact CH2-CB 3.44Å; W68-K100 HydrophobicContact CH2-CD 4.26Å; W68-K100 HydrophobicContact CH2-CG 4.42Å; W68-K100 HydrophobicContact CZ2-CB 3.98Å; W68-K100 HydrophobicContact CZ2-CD 3.91Å; W68-K100 HydrophobicContact CZ3-CB 3.53Å; R80-K100 HydrophobicContact CG-CB 4.31Å; R80-K100 WeakPolarHBondContact CG-O 3.41Å; R80-K100 PolarHBondContact N-O 3.31Å; R80-K100 PolarHBondContact O-N 2.88Å; K100-G189 WeakPolarHBondContact CA-O 3.5Å; K100-G189 WeakPolarHBondContact CG-O 2.86Å; K100-I190 HydrophobicContact CB-CD1 4.01Å; K100-I190 HydrophobicContact CD-CD1 3.95Å; K100-I190 HydrophobicContact CG-CD1 3.97Å
101A95.7Very high89.1Confident15 Ų1573.3 Ų73.312%0.12446%0.463CS..EExtended strand (participates in β ladder)trans-65.2142.8171.100000110.1T77 G78 I185 G189 I191T77-A101 HydrophobicContact CG2-CB 4.46Å; G78-A101 WeakPolarHBondContact O-CA 3.01Å; A101-I185 HydrophobicContact CB-CD1 3.94Å; A101-I185 HydrophobicContact CB-CG1 4.39Å; A101-I185 HydrophobicContact CB-CG2 3.8Å; A101-G189 PolarHBondContact N-O 3.4Å; A101-I191 HydrophobicContact CB-CG1 4.36Å
102C94.6Very high90Very high13 Ų1371.8 Ų71.89%0.08846%0.457CS..EExtended strand (participates in β ladder)trans-127.7141.2172.941.20000109.1C71 T77 G78 R80C71-C102 WeakPolarHBondContact CA-SG 3.13Å; C71-C102 HydrophobicContact CB-CB 3.81Å; C71-C102 WeakPolarHBondContact CB-SG 3.35Å; C71-C102 WeakPolarHBondContact SG-CB 3.44Å; C71-C102 CovalentContact SG-SG 2.02Å; C71-C102 PolarHBondContact SG-SG 3.3Å; T77-C102 CarbonylContact C-O 3.51Å; T77-C102 WeakPolarHBondContact CA-O 3.27Å; G78-C102 PolarHBondContact N-O 3.34Å; G78-C102 PolarHBondContact O-N 3.06Å; G78-C102 PolarHBondContact O-SG 3.16Å; R80-C102 HydrophobicContact CG-CB 4.34Å
103E92.9Very high90.5Very high175 Ų17574.5 Ų74.582%0.81847%0.473SS*.EExtended strand (participates in β ladder)trans-112.4122.5-178.3-66.3-178.9178.800109.3
104G90.6Very high91.2Very high30 Ų3069.7 Ų69.731%0.30944%0.442SS..  trans-101.6176.3167.300000111.7G76G76-G104 PolarHBondContact O-N 3.12Å
105P92.9Very high91.7Very high89 Ų8967.4 Ų67.458%0.57842%0.415SS*.SBendtrans-55.4152.6169.725.9-36.1000111.1T74 C75 G76 C107T74-P105 WeakPolarHBondContact O-CD 3.35Å; C75-P105 CarbonylContact C-O 3.26Å; C75-P105 WeakPolarHBondContact CA-O 2.99Å; C75-P105 VanDerWaalsContact CB-O 3.23Å; C75-P105 WeakPolarHBondContact CB-O 3.33Å; G76-P105 PolarHBondContact N-O 3.07Å; P105-C107 PolarHBondContact O-N 2.93Å
106P90.4Very high92Very high121 Ų12166.7 Ų66.779%0.78640%0.401SS*.PPolyproline II helixtrans-57.7137.5176.724.1-32.6000110.8
107C89.2Confident92.1Very high61 Ų6167.9 Ų67.941%0.41240%0.4SS..PPolyproline II helixtrans-67.2140.9177.9-58.80000111C75 P105 V111C75-C107 HydrophobicContact CB-CB 3.96Å; C75-C107 WeakPolarHBondContact CB-SG 3.37Å; C75-C107 PolarHBondContact O-SG 2.91Å; C75-C107 VanDerWaalsContact SG-CA 3.6Å; C75-C107 WeakPolarHBondContact SG-CB 3.46Å; C75-C107 CovalentContact SG-SG 2.05Å; C75-C107 PolarHBondContact SG-SG 3.07Å; P105-C107 PolarHBondContact O-N 2.93Å; C107-V111 HydrophobicContact CB-CG2 4Å
108S93.3Very high92Very high90 Ų9066.1 Ų66.163%0.62939%0.388SS*.PPolyproline II helixtrans-59.4143.7177.6-57.40000111.9G110 V111S108-G110 PolarHBondContact O-N 3.41Å; S108-V111 WeakPolarHBondContact O-CG2 3.49Å; S108-V111 PolarHBondContact O-N 2.95Å
109K89.8Confident91.8Very high217 Ų21763.9 Ų63.994%0.94338%0.378SS*.THydrogen-bonded Turntrans-62.6136.8175.4-63.7-176.9-178179.90110
110G84.1Confident91.4Very high86 Ų8666.1 Ų66.189%0.88739%0.388SS*.THydrogen-bonded Turntrans89.3-1.6178.700000115.4S108S108-G110 PolarHBondContact O-N 3.41Å
111V86.5Confident90.8Very high72 Ų7265.8 Ų65.844%0.43639%0.394SS..PPolyproline II helixtrans-79.2141167.8-57.20000110.4C107 S108C107-V111 HydrophobicContact CB-CG2 4Å; S108-V111 WeakPolarHBondContact O-CG2 3.49Å; S108-V111 PolarHBondContact O-N 2.95Å
112P89.2Confident89.5Confident45 Ų4569 Ų6929%0.29241%0.406SS..PPolyproline II helixtrans-59.3147.7173.7-20.831.4000111.1D116 Q117P112-D116 HydrophobicContact CB-CB 3.87Å; P112-Q117 HydrophobicContact CB-CG 4.12Å; P112-Q117 PolarHBondContact O-NE2 2.93Å
113T91.3Very high88Confident81 Ų8170.7 Ų70.750%0.49741%0.413SS..PPolyproline II helixtrans-63.3159.2175.772.50000110.3R115 D116 Q117T113-R115 PolarHBondContact O-N 3.17Å; T113-R115 VanDerWaalsContact O-N 3.11Å; T113-R115 PolarHBondContact OG1-N 3.45Å; T113-D116 WeakPolarHBondContact CB-OD2 3.2Å; T113-D116 WeakPolarHBondContact CG2-OD2 3.28Å; T113-D116 PolarHBondContact N-OD2 2.91Å; T113-D116 PolarHBondContact O-N 3.38Å; T113-D116 PolarHBondContact OG1-N 3.06Å; T113-D116 VanDerWaalsContact OG1-N 3.12Å; T113-D116 PolarHBondContact OG1-OD2 2.91Å; T113-Q117 WeakPolarHBondContact O-CG 3.24Å; T113-Q117 PolarHBondContact O-N 2.82Å
114F92.8Very high86.2Confident31 Ų3172 Ų7214%0.13641%0.41CS..Hα-helixtrans-58.4-27.1177-173.6-108.7000113.3S72 R73 Q118 L164 T167S72-F114 WeakPolarHBondContact O-CE2 2.96Å; R73-F114 HydrophobicContact CB-CD2 4.23Å; R73-F114 HydrophobicContact CB-CE2 4.24Å; R73-F114 VanDerWaalsContact CZ-CB 3.48Å; F114-Q118 PolarHBondContact O-NE2 3.28Å; F114-Q118 VanDerWaalsContact O-NE2 3.08Å; F114-L164 HydrophobicContact CE1-CB 3.84Å; F114-L164 HydrophobicContact CE1-CD1 4.47Å; F114-L164 HydrophobicContact CZ-CB 4.03Å; F114-L164 HydrophobicContact CZ-CD1 4Å; F114-T167 HydrophobicContact CD1-CG2 4.31Å; F114-T167 VanDerWaalsContact CD1-OG1 3.24Å; F114-T167 WeakPolarHBondContact CD1-OG1 3.46Å; F114-T167 VanDerWaalsContact CE1-OG1 3.27Å; F114-T167 WeakPolarHBondContact CE1-OG1 3.35Å
115R93.6Very high84.6Confident9 Ų978.9 Ų78.93%0.03443%0.434CS..Hα-helixtrans-76.1-41.3174.5-162.6-175.1-83.4-105.1-1111.4T113 Q117 Q118 C119 A136 P143 A145 L146 V163 T167 P168T113-R115 PolarHBondContact O-N 3.17Å; T113-R115 VanDerWaalsContact O-N 3.11Å; T113-R115 PolarHBondContact OG1-N 3.45Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 2.89Å; R115-Q118 WeakPolarHBondContact O-CB 3.49Å; R115-Q118 PolarHBondContact O-N 2.03Å; R115-Q118 VanDerWaalsContact O-N 3.17Å; R115-C119 PolarHBondContact O-N 3.45Å; R115-A136 HydrophobicContact CB-CB 3.9Å; R115-A136 VanDerWaalsContact CD-CB 3.43Å; R115-A136 HydrophobicContact CG-CB 3.39Å; R115-P143 PolarHBondContact NH1-O 3.46Å; R115-P143 PolarHBondContact NH2-O 3.15Å; R115-A145 PolarHBondContact NH1-O 2.94Å; R115-L146 HydrophobicContact CG-CD1 4.04Å; R115-V163 HydrophobicContact CG-CG1 4.43Å; R115-T167 HydrophobicContact CB-CG2 3.76Å; R115-T167 HydrophobicContact CG-CG2 3.91Å; R115-P168 PolarHBondContact NE-O 3.4Å; R115-P168 PolarHBondContact NH2-O 2.92Å
116D91.8Very high83Confident28 Ų2878 Ų7815%0.1543%0.43CS..Hα-helixtrans-63.7-37.7174.6-61.7-45.1000112.1P112 T113 Q118 C119 Q120 T135 A136P112-D116 HydrophobicContact CB-CB 3.87Å; T113-D116 WeakPolarHBondContact CB-OD2 3.2Å; T113-D116 WeakPolarHBondContact CG2-OD2 3.28Å; T113-D116 PolarHBondContact N-OD2 2.91Å; T113-D116 PolarHBondContact O-N 3.38Å; T113-D116 PolarHBondContact OG1-N 3.06Å; T113-D116 VanDerWaalsContact OG1-N 3.12Å; T113-D116 PolarHBondContact OG1-OD2 2.91Å; D116-Q118 PolarHBondContact O-N 3.42Å; D116-C119 WeakPolarHBondContact O-CB 3.31Å; D116-C119 PolarHBondContact O-N 3.01Å; D116-C119 VanDerWaalsContact O-N 3.12Å; D116-Q120 VanDerWaalsContact O-CG 3.29Å; D116-Q120 WeakPolarHBondContact O-CG 3.04Å; D116-Q120 PolarHBondContact O-N 2.84Å; D116-T135 WeakPolarHBondContact OD1-CA 3.27Å; D116-A136 WeakPolarHBondContact OD1-CB 3.41Å; D116-A136 PolarHBondContact OD1-N 2.79Å
117Q92.3Very high81.3Confident86 Ų8676.1 Ų76.140%0.40243%0.433SS..Hα-helixtrans-58.4-36.5174.9-70.8173.81.400111.7P112 T113 R115 Q120 S121P112-Q117 HydrophobicContact CB-CG 4.12Å; P112-Q117 PolarHBondContact O-NE2 2.93Å; T113-Q117 WeakPolarHBondContact O-CG 3.24Å; T113-Q117 PolarHBondContact O-N 2.82Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 2.89Å; Q117-Q120 PolarHBondContact O-N 2.83Å; Q117-S121 WeakPolarHBondContact O-CB 3.2Å; Q117-S121 PolarHBondContact O-N 3.29Å
118Q93.3Very high79.8Confident14 Ų1480.8 Ų80.87%0.06545%0.446CS..Hα-helixtrans-66-44.6174.7-69.5168.965.300111.2F114 R115 D116 Q120 S121 H122 L146 L164 T167F114-Q118 PolarHBondContact O-NE2 3.28Å; F114-Q118 VanDerWaalsContact O-NE2 3.08Å; R115-Q118 WeakPolarHBondContact O-CB 3.49Å; R115-Q118 PolarHBondContact O-N 2.03Å; R115-Q118 VanDerWaalsContact O-N 3.17Å; D116-Q118 PolarHBondContact O-N 3.42Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-Q120 PolarHBondContact O-N 3.15Å; Q118-S121 PolarHBondContact O-N 2.82Å; Q118-S121 PolarHBondContact O-OG 2.76Å; Q118-H122 PolarHBondContact O-N 3.19Å; Q118-L146 HydrophobicContact CB-CD1 3.9Å; Q118-L146 HydrophobicContact CB-CD2 3.9Å; Q118-L164 HydrophobicContact CG-CD1 4.02Å; Q118-L164 HydrophobicContact CG-CG 4.3Å; Q118-T167 PolarHBondContact NE2-OG1 3.31Å
119C91Very high77.9Confident0 Ų085.5 Ų85.50%046%0.455CS..Hα-helixtrans-58.5-43.6172.7-65.40000112.2R115 D116 S121 H122 W134 A136 C148R115-C119 PolarHBondContact O-N 3.45Å; D116-C119 WeakPolarHBondContact O-CB 3.31Å; D116-C119 PolarHBondContact O-N 3.01Å; D116-C119 VanDerWaalsContact O-N 3.12Å; C119-S121 VanDerWaalsContact C-N 3.31Å; C119-S121 PolarHBondContact O-N 2.74Å; C119-H122 PolarHBondContact O-N 2.9Å; C119-W134 HydrophobicContact CB-CB 4.1Å; C119-A136 VanDerWaalsContact SG-CA 3.59Å; C119-C148 WeakPolarHBondContact CA-SG 3.19Å; C119-C148 HydrophobicContact CB-CB 3.74Å; C119-C148 WeakPolarHBondContact CB-SG 3.43Å; C119-C148 WeakPolarHBondContact SG-CB 3.31Å; C119-C148 CovalentContact SG-SG 2.03Å; C119-C148 PolarHBondContact SG-SG 2.79Å
120Q88.6Confident76.3Confident62 Ų6285.6 Ų85.629%0.2946%0.455SS..Hα-helixtrans-69.3-27.1179.9-68.4169.719.100113.1D116 Q117 Q118D116-Q120 VanDerWaalsContact O-CG 3.29Å; D116-Q120 WeakPolarHBondContact O-CG 3.04Å; D116-Q120 PolarHBondContact O-N 2.84Å; Q117-Q120 PolarHBondContact O-N 2.83Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-Q120 PolarHBondContact O-N 3.15Å
121S83.8Confident74.9Confident56 Ų5687.3 Ų87.339%0.39245%0.449SS..Hα-helixtrans-71.2-31.8178.177.80000112.5Q117 Q118 C119Q117-S121 WeakPolarHBondContact O-CB 3.2Å; Q117-S121 PolarHBondContact O-N 3.29Å; Q118-S121 PolarHBondContact O-N 2.82Å; Q118-S121 PolarHBondContact O-OG 2.76Å; C119-S121 VanDerWaalsContact C-N 3.31Å; C119-S121 PolarHBondContact O-N 2.74Å
122H68.7Low73.9Confident83 Ų8387.9 Ų87.938%0.38445%0.447SS..Hα-helixtrans-70.7-30.3-179.1-94.1-81.3000113.8Q118 C119 R124 H125 L159Q118-H122 PolarHBondContact O-N 3.19Å; C119-H122 PolarHBondContact O-N 2.9Å; H122-R124 PolarHBondContact O-N 3.41Å; H122-R124 VanDerWaalsContact O-N 3.13Å; H122-H125 PolarHBondContact O-N 2.89Å; H122-L159 HydrophobicContact CB-CD1 3.82Å
123E62.3Low73.3Confident49 Ų4991.6 Ų91.623%0.22946%0.462CS..G310 helixtrans-62.5-21.6-179.1-74.1-67.6106.500114.1H125 S126 W134E123-H125 PolarHBondContact O-N 2.82Å; E123-H125 VanDerWaalsContact O-N 3.16Å; E123-S126 PolarHBondContact O-N 3.36Å; E123-W134 VanDerWaalsContact CD-CD1 3.41Å; E123-W134 VanDerWaalsContact CD-CE2 3.43Å; E123-W134 HydrophobicContact CG-CD2 4.5Å; E123-W134 HydrophobicContact CG-CG 4.05Å; E123-W134 VanDerWaalsContact OE1-CZ2 3.28Å; E123-W134 WeakPolarHBondContact OE1-CZ2 3.4Å; E123-W134 PolarHBondContact OE1-NE1 2.9Å; E123-W134 VanDerWaalsContact OE1-NE1 3.16Å; E123-W134 PolarHBondContact OE2-NE1 2.89Å
124R55.5Low73Confident201 Ų20189.4 Ų89.476%0.75844%0.444SS*.G310 helixtrans-63.3-19.8178.9-76.7-171.3173.291.9-5.4113.8H122H122-R124 PolarHBondContact O-N 3.41Å; H122-R124 VanDerWaalsContact O-N 3.13Å
125H56.1Low72.9Confident175 Ų17590.3 Ų90.381%0.8145%0.452SS*.G310 helixtrans-93.5-10-177.2-69.481.8000114.1H122 E123H122-H125 PolarHBondContact O-N 2.89Å; E123-H125 PolarHBondContact O-N 2.82Å; E123-H125 VanDerWaalsContact O-N 3.16Å
126S58.8Low72.8Confident72 Ų7290.9 Ų90.950%0.50346%0.459SS..SBendtrans-100.7-0.1-172.9-145.80000114.4E123 K128E123-S126 PolarHBondContact O-N 3.36Å; S126-K128 PolarHBondContact O-N 3.42Å
127G55.2Low72.8Confident81 Ų8192.1 Ų92.184%0.83547%0.468SS*.  trans62.16.1175.300000115.7
128K57.8Low72.8Confident158 Ų15891 Ų9169%0.68746%0.464SS*.  trans-81.8143.3-179.4-76177.9-179.5169.70110.9S126 K130S126-K128 PolarHBondContact O-N 3.42Å; K128-K130 PolarHBondContact O-N 3.28Å
129K52.7Low72.8Confident190 Ų19092 Ų9283%0.82647%0.472SS*.  trans-51.7135.4178.8-94.1179.7174.3175.60110.9T131K129-T131 PolarHBondContact O-N 3.21Å
130K56.4Low72.7Confident218 Ų21899.6 Ų99.695%0.94851%0.513SS*.THydrogen-bonded Turntrans-66.941.8-175.8-151.9-175.2-171.4-1750114K128K128-K130 PolarHBondContact O-N 3.28Å
131T55Low72.8Confident123 Ų123105 Ų10576%0.75554%0.538SS*.THydrogen-bonded Turntrans-108.9-12.4-168.6-21.20000113.6K129K129-T131 PolarHBondContact O-N 3.21Å
132Q66.3Low73.4Confident84 Ų84108.2 Ų108.239%0.39355%0.545SS..  trans-116.2116.7-175.4-154.9165.5-99.100110.2W134 P150Q132-W134 PolarHBondContact O-N 2.02Å; Q132-P150 HydrophobicContact CG-CB 3.53Å
133M75.4Confident74.6Confident122 Ų122106 Ų10660%0.60154%0.538SS*.  trans-71.4120.2174.4-170.8104.893.200108.1T135 V151M133-T135 HydrophobicContact CG-CG2 4.5Å; M133-V151 HydrophobicContact CB-CG2 4.18Å; M133-V151 WeakPolarHBondContact O-CG2 3.44Å; M133-V151 PolarHBondContact O-N 2.73Å; M133-V151 VanDerWaalsContact O-N 3.13Å
134W86.3Confident76.3Confident36 Ų36103.9 Ų103.914%0.13653%0.528CS..EExtended strand (participates in β ladder)trans-91.7130.1172-74.572.4000109.5C119 E123 Q132 C148C119-W134 HydrophobicContact CB-CB 4.1Å; E123-W134 VanDerWaalsContact CD-CD1 3.41Å; E123-W134 VanDerWaalsContact CD-CE2 3.43Å; E123-W134 HydrophobicContact CG-CD2 4.5Å; E123-W134 HydrophobicContact CG-CG 4.05Å; E123-W134 VanDerWaalsContact OE1-CZ2 3.28Å; E123-W134 WeakPolarHBondContact OE1-CZ2 3.4Å; E123-W134 PolarHBondContact OE1-NE1 2.9Å; E123-W134 VanDerWaalsContact OE1-NE1 3.16Å; E123-W134 PolarHBondContact OE2-NE1 2.89Å; Q132-W134 PolarHBondContact O-N 2.02Å; W134-C148 HydrophobicContact CE3-CB 3.61Å; W134-C148 HydrophobicContact CZ3-CB 4.08Å
135T89.7Confident78.2Confident49 Ų4994.5 Ų94.530%0.30149%0.494SS..EExtended strand (participates in β ladder)trans-116.914517950.50000109.4D116 M133 C148 S149 V151D116-T135 WeakPolarHBondContact OD1-CA 3.27Å; M133-T135 HydrophobicContact CG-CG2 4.5Å; T135-C148 WeakPolarHBondContact O-CA 3.37Å; T135-S149 PolarHBondContact N-O 3.36Å; T135-S149 PolarHBondContact O-N 2.82Å; T135-S149 PolarHBondContact OG1-O 3.43Å; T135-V151 HydrophobicContact CG2-CG2 3.8Å
136A92.3Very high80.1Confident22 Ų2286.3 Ų86.318%0.18246%0.456CS..EExtended strand (participates in β ladder)trans-72.5138.2175.300000110.6R115 D116 C119 F147R115-A136 HydrophobicContact CB-CB 3.9Å; R115-A136 VanDerWaalsContact CD-CB 3.43Å; R115-A136 HydrophobicContact CG-CB 3.39Å; D116-A136 WeakPolarHBondContact OD1-CB 3.41Å; D116-A136 PolarHBondContact OD1-N 2.79Å; C119-A136 VanDerWaalsContact SG-CA 3.59Å; A136-F147 WeakPolarHBondContact CA-O 3.07Å
137V92.5Very high81.8Confident54 Ų5484.6 Ų84.633%0.32744%0.44SS..EExtended strand (participates in β ladder)trans-110.8132170.2-178.20000107.2F147 P156V137-F147 HydrophobicContact CB-CB 4.36Å; V137-F147 PolarHBondContact N-O 2.95Å; V137-F147 WeakPolarHBondContact O-CB 3.46Å; V137-P156 HydrophobicContact CB-CB 3.91Å; V137-P156 HydrophobicContact CB-CG 4.43Å; V137-P156 HydrophobicContact CG1-CB 4.22Å; V137-P156 HydrophobicContact CG1-CG 4.2Å; V137-P156 HydrophobicContact CG2-CB 3.94Å
138I92.1Very high83.5Confident63 Ų6380.7 Ų80.732%0.32340%0.4SS..  trans-95.7127.9178.4-61174.1000107.2P143 C169I138-P143 HydrophobicContact CG2-CB 4.48Å; I138-C169 WeakPolarHBondContact CG2-O 3.47Å
139S91.8Very high85Confident33 Ų3373.6 Ų73.623%0.23137%0.37CS..  trans-99.2133.3175169.10000109.2E141 K142 P143S139-E141 VanDerWaalsContact C-N 3.27Å; S139-E141 PolarHBondContact O-N 2.93Å; S139-E141 PolarHBondContact OG-N 2.99Å; S139-K142 CarbonylContact O-C 3.57Å; S139-K142 VanDerWaalsContact O-C 3.26Å; S139-K142 PolarHBondContact O-N 3.08Å; S139-K142 PolarHBondContact OG-N 3.4Å; S139-P143 WeakPolarHBondContact O-CA 3.49Å
140D89.4Confident86.5Confident161 Ų16164.8 Ų64.886%0.86133%0.332SS*.SBendtrans-65.9-31.8177-62.7-33.8000112.3
141E91.7Very high87.4Confident176 Ų17659 Ų5982%0.82232%0.315SS*.SBendtrans-75.1-36.8178.1-61.8-175.7178.500112.5S139S139-E141 VanDerWaalsContact C-N 3.27Å; S139-E141 PolarHBondContact O-N 2.93Å; S139-E141 PolarHBondContact OG-N 2.99Å
142K94.8Very high87.9Confident123 Ų12357 Ų5754%0.53532%0.318SS..  trans-134.468.4-176.5-66.2-175.6-177.2178.80110.6S139 C144 A145 F147S139-K142 CarbonylContact O-C 3.57Å; S139-K142 VanDerWaalsContact O-C 3.26Å; S139-K142 PolarHBondContact O-N 3.08Å; S139-K142 PolarHBondContact OG-N 3.4Å; K142-C144 PolarHBondContact O-N 3.12Å; K142-C144 VanDerWaalsContact O-N 3.13Å; K142-A145 HydrophobicContact CB-CB 3.9Å; K142-A145 PolarHBondContact O-N 2.79Å; K142-F147 HydrophobicContact CB-CE2 4.1Å
143P94.9Very high88.1Confident36 Ų3660.8 Ų60.823%0.23433%0.329CS..THydrogen-bonded Turntrans-64.4-24.7-173.724.3-34.7000112.5R115 I138 S139 C169 C182R115-P143 PolarHBondContact NH1-O 3.46Å; R115-P143 PolarHBondContact NH2-O 3.15Å; I138-P143 HydrophobicContact CG2-CB 4.48Å; S139-P143 WeakPolarHBondContact O-CA 3.49Å; P143-C169 HydrophobicContact CB-CB 4.38Å; P143-C182 HydrophobicContact CG-CB 4.26Å
144C96.9Very high87.8Confident4 Ų463 Ų633%0.02734%0.344CS..THydrogen-bonded Turntrans-97.96.3178.8-65.40000114.9K142 R162 V163 C177 G180 C182K142-C144 PolarHBondContact O-N 3.12Å; K142-C144 VanDerWaalsContact O-N 3.13Å; C144-R162 CarbonylContact O-C 3.56Å; C144-R162 VanDerWaalsContact O-CA 3.27Å; C144-R162 WeakPolarHBondContact O-CA 3.48Å; C144-V163 HydrophobicContact CB-CG2 4.4Å; C144-V163 WeakPolarHBondContact O-CG2 3.34Å; C144-V163 PolarHBondContact O-N 3.27Å; C144-C177 WeakPolarHBondContact CA-SG 3.38Å; C144-C177 HydrophobicContact CB-CB 3.72Å; C144-C177 WeakPolarHBondContact CB-SG 3.3Å; C144-C177 WeakPolarHBondContact SG-CA 3.06Å; C144-C177 WeakPolarHBondContact SG-CB 3.49Å; C144-C177 CovalentContact SG-SG 2.04Å; C144-C177 PolarHBondContact SG-SG 3.48Å; C144-G180 WeakPolarHBondContact CB-O 3.43Å; C144-C182 PolarHBondContact SG-N 3.3Å; C144-C182 VanDerWaalsContact SG-N 3.37Å
145A96.8Very high87.7Confident5 Ų564.6 Ų64.64%0.04137%0.365CS..SBendtrans-83.8152.4166.100000110.6R115 K142 F147 L158 E161R115-A145 PolarHBondContact NH1-O 2.94Å; K142-A145 HydrophobicContact CB-CB 3.9Å; K142-A145 PolarHBondContact O-N 2.79Å; A145-F147 HydrophobicContact CB-CD2 4.1Å; A145-F147 HydrophobicContact CB-CE2 3.67Å; A145-F147 HydrophobicContact CB-CZ 4.4Å; A145-F147 PolarHBondContact O-N 3.35Å; A145-L158 HydrophobicContact CB-CD1 3.88Å; A145-E161 WeakPolarHBondContact CA-O 3.49Å
146L95.4Very high87.7Confident2 Ų265 Ų651%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-94.293.4178.4-173.168.1000109.6R115 Q118 L159 A160 V163R115-L146 HydrophobicContact CG-CD1 4.04Å; Q118-L146 HydrophobicContact CB-CD1 3.9Å; Q118-L146 HydrophobicContact CB-CD2 3.9Å; L146-L159 HydrophobicContact CD2-CB 4.14Å; L146-L159 HydrophobicContact CG-CB 4.42Å; L146-L159 PolarHBondContact O-N 2.87Å; L146-A160 HydrophobicContact CB-CB 3.9Å; L146-A160 HydrophobicContact CD2-CB 4.22Å; L146-A160 PolarHBondContact N-O 3.43Å; L146-A160 PolarHBondContact O-N 2.93Å; L146-V163 HydrophobicContact CB-CG1 3.88Å; L146-V163 HydrophobicContact CD1-CG1 3.94Å
147F93.8Very high87.6Confident36 Ų3667.6 Ų67.616%0.15838%0.381CS..EExtended strand (participates in β ladder)trans-94.3133167-65.3-85.6000109.8A136 V137 K142 A145 P156 V157 L158A136-F147 WeakPolarHBondContact CA-O 3.07Å; V137-F147 HydrophobicContact CB-CB 4.36Å; V137-F147 PolarHBondContact N-O 2.95Å; V137-F147 WeakPolarHBondContact O-CB 3.46Å; K142-F147 HydrophobicContact CB-CE2 4.1Å; A145-F147 HydrophobicContact CB-CD2 4.1Å; A145-F147 HydrophobicContact CB-CE2 3.67Å; A145-F147 HydrophobicContact CB-CZ 4.4Å; A145-F147 PolarHBondContact O-N 3.35Å; F147-P156 HydrophobicContact CB-CB 4.15Å; F147-V157 CarbonylContact C-O 3.55Å; F147-V157 WeakPolarHBondContact CA-O 3.39Å; F147-L158 HydrophobicContact CD1-CB 3.99Å; F147-L158 HydrophobicContact CD1-CD1 4.15Å; F147-L158 HydrophobicContact CE1-CB 3.8Å; F147-L158 HydrophobicContact CE1-CD1 3.87Å; F147-L158 HydrophobicContact CE1-CG 4.35Å; F147-L158 HydrophobicContact CE2-CD1 4.26Å; F147-L158 HydrophobicContact CG-CD1 4.47Å; F147-L158 HydrophobicContact CZ-CD1 3.93Å
148C91.9Very high87.6Confident0 Ų069 Ų690%039%0.386CS..EExtended strand (participates in β ladder)trans-131.3136.2-179.9-550000109.7C119 W134 T135 V157 L159C119-C148 WeakPolarHBondContact CA-SG 3.19Å; C119-C148 HydrophobicContact CB-CB 3.74Å; C119-C148 WeakPolarHBondContact CB-SG 3.43Å; C119-C148 WeakPolarHBondContact SG-CB 3.31Å; C119-C148 CovalentContact SG-SG 2.03Å; C119-C148 PolarHBondContact SG-SG 2.79Å; W134-C148 HydrophobicContact CE3-CB 3.61Å; W134-C148 HydrophobicContact CZ3-CB 4.08Å; T135-C148 WeakPolarHBondContact O-CA 3.37Å; C148-V157 PolarHBondContact N-O 2.96Å; C148-V157 PolarHBondContact O-N 2.95Å; C148-L159 HydrophobicContact CB-CD1 3.63Å; C148-L159 HydrophobicContact CB-CG 3.95Å; C148-L159 WeakPolarHBondContact SG-CD1 3.14Å
149S89.3Confident87.6Confident9 Ų968.4 Ų68.46%0.06338%0.384CS..EExtended strand (participates in β ladder)trans-125.6142.4172.9-169.10000109T135 R153T135-S149 PolarHBondContact N-O 3.36Å; T135-S149 PolarHBondContact O-N 2.82Å; T135-S149 PolarHBondContact OG1-O 3.43Å; S149-R153 PolarHBondContact OG-O 2.91Å; S149-R153 VanDerWaalsContact OG-O 3.13Å
150P84.1Confident87.7Confident5 Ų568.1 Ų68.13%0.03238%0.383CS..EExtended strand (participates in β ladder)trans-67.2142.6163.929.3-33.5000111Q132 G152 R153Q132-P150 HydrophobicContact CG-CB 3.53Å; P150-G152 PolarHBondContact O-N 2.88Å; P150-R153 HydrophobicContact CG-CB 3.98Å; P150-R153 HydrophobicContact CG-CG 3.92Å; P150-R153 PolarHBondContact O-N 2.66Å
151V74.8Confident87.9Confident95 Ų9567.4 Ų67.458%0.57638%0.375SS*.THydrogen-bonded Turntrans-55.3114.4174.3176.60000109.2M133 T135M133-V151 HydrophobicContact CB-CG2 4.18Å; M133-V151 WeakPolarHBondContact O-CG2 3.44Å; M133-V151 PolarHBondContact O-N 2.73Å; M133-V151 VanDerWaalsContact O-N 3.13Å; T135-V151 HydrophobicContact CG2-CG2 3.8Å
152G66.8Low88.2Confident81 Ų8166.3 Ų66.384%0.83536%0.363SS*.THydrogen-bonded Turntrans100.215.4178.100000117.2P150P150-G152 PolarHBondContact O-N 2.88Å
153R68.9Low88.2Confident165 Ų16560.7 Ų60.762%0.62334%0.339SS*.  trans-122.9151.2165-63.2-171.5-177.5172.6-3.1112S149 P150S149-R153 PolarHBondContact OG-O 2.91Å; S149-R153 VanDerWaalsContact OG-O 3.13Å; P150-R153 HydrophobicContact CG-CB 3.98Å; P150-R153 HydrophobicContact CG-CG 3.92Å; P150-R153 PolarHBondContact O-N 2.66Å
154D69.6Low88.3Confident168 Ų16863.8 Ų63.890%0.89835%0.353SS*.SBendtrans-84.2-16.5-165.7-59.8-42.9000115.3
155A83.9Confident88.3Confident70 Ų7066 Ų6658%0.57937%0.365SS*.  trans-117.4116.8-175.600000112.6
156P89.1Confident88.2Confident58 Ų5865.8 Ų65.838%0.37736%0.363SS..  trans-71.7142.9172.230.2-33.8000111.4V137 F147V137-P156 HydrophobicContact CB-CB 3.91Å; V137-P156 HydrophobicContact CB-CG 4.43Å; V137-P156 HydrophobicContact CG1-CB 4.22Å; V137-P156 HydrophobicContact CG1-CG 4.2Å; V137-P156 HydrophobicContact CG2-CB 3.94Å; F147-P156 HydrophobicContact CB-CB 4.15Å
157V90.5Very high88.2Confident75 Ų7565.7 Ų65.746%0.45536%0.362SS..EExtended strand (participates in β ladder)trans-102.7136.1177.3-177.40000109.4F147 C148 L159F147-V157 CarbonylContact C-O 3.55Å; F147-V157 WeakPolarHBondContact CA-O 3.39Å; C148-V157 PolarHBondContact N-O 2.96Å; C148-V157 PolarHBondContact O-N 2.95Å; V157-L159 HydrophobicContact CG1-CD2 4.21Å; V157-L159 PolarHBondContact O-N 3.49Å
158L92.8Very high88.2Confident83 Ų8366 Ų6644%0.43537%0.368SS..EExtended strand (participates in β ladder)trans-72.8109.7170.9-179.164.6000109.6A145 F147 A160A145-L158 HydrophobicContact CB-CD1 3.88Å; F147-L158 HydrophobicContact CD1-CB 3.99Å; F147-L158 HydrophobicContact CD1-CD1 4.15Å; F147-L158 HydrophobicContact CE1-CB 3.8Å; F147-L158 HydrophobicContact CE1-CD1 3.87Å; F147-L158 HydrophobicContact CE1-CG 4.35Å; F147-L158 HydrophobicContact CE2-CD1 4.26Å; F147-L158 HydrophobicContact CG-CD1 4.47Å; F147-L158 HydrophobicContact CZ-CD1 3.93Å; L158-A160 VanDerWaalsContact CD1-O 3.27Å; L158-A160 WeakPolarHBondContact CD1-O 3.32Å
159L91.6Very high88.3Confident51 Ų5166.1 Ų66.127%0.26737%0.369SS..EExtended strand (participates in β ladder)trans-92.6-32.9176.5-65.7-167.2000112.8H122 L146 C148 V157H122-L159 HydrophobicContact CB-CD1 3.82Å; L146-L159 HydrophobicContact CD2-CB 4.14Å; L146-L159 HydrophobicContact CG-CB 4.42Å; L146-L159 PolarHBondContact O-N 2.87Å; C148-L159 HydrophobicContact CB-CD1 3.63Å; C148-L159 HydrophobicContact CB-CG 3.95Å; C148-L159 WeakPolarHBondContact SG-CD1 3.14Å; V157-L159 HydrophobicContact CG1-CD2 4.21Å; V157-L159 PolarHBondContact O-N 3.49Å
160A94.1Very high88.2Confident27 Ų2766.3 Ų66.322%0.22337%0.373CS..EExtended strand (participates in β ladder)trans-148.9144.4176.500000111.5L146 L158 R162L146-A160 HydrophobicContact CB-CB 3.9Å; L146-A160 HydrophobicContact CD2-CB 4.22Å; L146-A160 PolarHBondContact N-O 3.43Å; L146-A160 PolarHBondContact O-N 2.93Å; L158-A160 VanDerWaalsContact CD1-O 3.27Å; L158-A160 WeakPolarHBondContact CD1-O 3.32Å; A160-R162 PolarHBondContact O-N 2.85Å
161E95.2Very high87.9Confident146 Ų14671 Ų7168%0.68240%0.403SS*.SBendtrans-65.3-25.6177.2-64.7-171.5168.800113.1A145A145-E161 WeakPolarHBondContact CA-O 3.49Å
162R96.4Very high87.6Confident153 Ų15375.3 Ų75.358%0.57741%0.41SS*.SBendtrans-140.9133.3-178.9-55.2-179.4-155.7112.815110.3C144 A160C144-R162 CarbonylContact O-C 3.56Å; C144-R162 VanDerWaalsContact O-CA 3.27Å; C144-R162 WeakPolarHBondContact O-CA 3.48Å; A160-R162 PolarHBondContact O-N 2.85Å
163V96.4Very high87.8Confident6 Ų676.9 Ų76.94%0.03640%0.396CS..PPolyproline II helixtrans-72.7161.7166.2-62.20000110.7R115 C144 L146 T167 C177R115-V163 HydrophobicContact CG-CG1 4.43Å; C144-V163 HydrophobicContact CB-CG2 4.4Å; C144-V163 WeakPolarHBondContact O-CG2 3.34Å; C144-V163 PolarHBondContact O-N 3.27Å; L146-V163 HydrophobicContact CB-CG1 3.88Å; L146-V163 HydrophobicContact CD1-CG1 3.94Å; V163-T167 HydrophobicContact CB-CG2 4.05Å; V163-T167 HydrophobicContact CG1-CG2 4.36Å; V163-T167 VanDerWaalsContact CG2-CB 3.48Å; V163-T167 HydrophobicContact CG2-CG2 3.89Å; V163-C177 HydrophobicContact CG2-CB 3.43Å; V163-C177 VanDerWaalsContact CG2-CB 3.43Å
164L95.6Very high88.2Confident101 Ų10171.3 Ų71.353%0.52938%0.382SS..PPolyproline II helixtrans-59.6144.4172.9-66.8175.3000111.6F114 Q118 G166 T167F114-L164 HydrophobicContact CE1-CB 3.84Å; F114-L164 HydrophobicContact CE1-CD1 4.47Å; F114-L164 HydrophobicContact CZ-CB 4.03Å; F114-L164 HydrophobicContact CZ-CD1 4Å; Q118-L164 HydrophobicContact CG-CD1 4.02Å; Q118-L164 HydrophobicContact CG-CG 4.3Å; L164-G166 PolarHBondContact O-N 3.06Å; L164-T167 VanDerWaalsContact O-CB 3.28Å; L164-T167 WeakPolarHBondContact O-CB 3.19Å; L164-T167 PolarHBondContact O-N 3.43Å; L164-T167 VanDerWaalsContact O-N 3.1Å; L164-T167 PolarHBondContact O-OG1 2.94Å
165D96.5Very high89.3Confident50 Ų5065 Ų6527%0.26735%0.348SS..THydrogen-bonded Turntrans-61.8139.2-178.4-68.5-24.2000112.1S72 H99 T167 C177 V178 N179S72-D165 WeakPolarHBondContact CB-O 3.26Å; S72-D165 PolarHBondContact OG-O 2.03Å; H99-D165 IonicContact NE2-OD2 3.14Å; D165-T167 VanDerWaalsContact C-N 3.34Å; D165-C177 CarbonylContact C-O 3.56Å; D165-C177 VanDerWaalsContact CA-O 3.29Å; D165-C177 WeakPolarHBondContact CA-O 2.99Å; D165-V178 VanDerWaalsContact OD1-CA 3.27Å; D165-V178 WeakPolarHBondContact OD1-CA 3.46Å; D165-N179 PolarHBondContact OD1-N 3.28Å
166G94.9Very high89.8Confident0 Ų061.8 Ų61.80%032%0.321CS..THydrogen-bonded Turntrans84.53.6-17200000114.2R73 A79 L164 C177R73-G166 PolarHBondContact NH2-O 2.92Å; A79-G166 VanDerWaalsContact CB-CA 3.45Å; L164-G166 PolarHBondContact O-N 3.06Å; G166-C177 PolarHBondContact N-O 3.12Å
167T95.3Very high90.2Very high0 Ų059 Ų590%030%0.303CS..EExtended strand (participates in β ladder)trans-67.2129.9167.1-56.10000110F114 R115 Q118 V163 L164 D165 C169 C177F114-T167 HydrophobicContact CD1-CG2 4.31Å; F114-T167 VanDerWaalsContact CD1-OG1 3.24Å; F114-T167 WeakPolarHBondContact CD1-OG1 3.46Å; F114-T167 VanDerWaalsContact CE1-OG1 3.27Å; F114-T167 WeakPolarHBondContact CE1-OG1 3.35Å; R115-T167 HydrophobicContact CB-CG2 3.76Å; R115-T167 HydrophobicContact CG-CG2 3.91Å; Q118-T167 PolarHBondContact NE2-OG1 3.31Å; V163-T167 HydrophobicContact CB-CG2 4.05Å; V163-T167 HydrophobicContact CG1-CG2 4.36Å; V163-T167 VanDerWaalsContact CG2-CB 3.48Å; V163-T167 HydrophobicContact CG2-CG2 3.89Å; L164-T167 VanDerWaalsContact O-CB 3.28Å; L164-T167 WeakPolarHBondContact O-CB 3.19Å; L164-T167 PolarHBondContact O-N 3.43Å; L164-T167 VanDerWaalsContact O-N 3.1Å; L164-T167 PolarHBondContact O-OG1 2.94Å; D165-T167 VanDerWaalsContact C-N 3.34Å; T167-C169 PolarHBondContact O-N 3.39Å; T167-C177 WeakPolarHBondContact O-CB 3.01Å; T167-C177 PolarHBondContact O-N 3.37Å
168P94.3Very high90.4Very high42 Ų4256 Ų5627%0.27329%0.285SS..EExtended strand (participates in β ladder)trans-57.6135.6174.4-24.833.7000111.2R115 G170 D175R115-P168 PolarHBondContact NE-O 3.4Å; R115-P168 PolarHBondContact NH2-O 2.92Å; P168-G170 VanDerWaalsContact C-N 3.35Å; P168-D175 WeakPolarHBondContact CA-O 3.33Å
169C93.6Very high90.5Very high3 Ų357.3 Ų57.32%0.0229%0.293CS..SBendtrans-68.8-37.1177.8-55.60000112.3I138 P143 T167 D175 L176 C182I138-C169 WeakPolarHBondContact CG2-O 3.47Å; P143-C169 HydrophobicContact CB-CB 4.38Å; T167-C169 PolarHBondContact O-N 3.39Å; C169-D175 PolarHBondContact N-O 3.01Å; C169-D175 VanDerWaalsContact SG-C 3.51Å; C169-D175 PolarHBondContact SG-O 3.24Å; C169-D175 VanDerWaalsContact SG-O 3.41Å; C169-L176 VanDerWaalsContact SG-C 3.55Å; C169-C182 HydrophobicContact CB-CB 3.89Å; C169-C182 WeakPolarHBondContact CB-SG 3.43Å; C169-C182 WeakPolarHBondContact SG-CA 3.33Å; C169-C182 WeakPolarHBondContact SG-CB 3.42Å; C169-C182 CovalentContact SG-SG 2.03Å; C169-C182 PolarHBondContact SG-SG 2.93Å
170G88.8Confident90.7Very high14 Ų1456.1 Ų56.114%0.14429%0.292CS..SBendtrans-137.8172.5-173.200000112.4P168P168-G170 VanDerWaalsContact C-N 3.35Å
171P76.9Confident90.7Very high102 Ų10261.5 Ų61.566%0.66231%0.311SS*.SBendtrans-73.5-26.9177.326.4-30.3000113.2
172Y69.4Low90.7Very high187 Ų18756.8 Ų56.873%0.73329%0.293SS*.SBendtrans-112.7-18-173.7-55.4-64.7000113.6R232Y172-R232 WeakPolarHBondContact O-CD 3.49Å; Y172-R232 PolarHBondContact O-NH1 3.13Å
173E69.1Low90.7Very high114 Ų11452.6 Ų52.653%0.53328%0.28SS..  trans-90150.3-175.9-63.6-173.2163.800112.2D175 R232E173-D175 HydrophobicContact CB-CB 4.28Å; E173-R232 VanDerWaalsContact C-NH1 3.27Å
174S77.7Confident90.5Very high47 Ų4758.6 Ų58.633%0.32931%0.306SS..  trans-85.22.9171.1-81.30000111.8I185 R232S174-I185 WeakPolarHBondContact O-CD1 3.31Å; S174-R232 VanDerWaalsContact OG-CZ 3.26Å; S174-R232 PolarHBondContact OG-NH1 3.09Å; S174-R232 PolarHBondContact OG-NH2 3.15Å
175D92.7Very high90.4Very high35 Ų3555.6 Ų55.619%0.18729%0.29CS..  trans-73.6141.7-175.9-65.76.8000109.2P168 C169 E173 C182 Q183P168-D175 WeakPolarHBondContact CA-O 3.33Å; C169-D175 PolarHBondContact N-O 3.01Å; C169-D175 VanDerWaalsContact SG-C 3.51Å; C169-D175 PolarHBondContact SG-O 3.24Å; C169-D175 VanDerWaalsContact SG-O 3.41Å; E173-D175 HydrophobicContact CB-CB 4.28Å; D175-C182 VanDerWaalsContact CB-SG 3.54Å; D175-Q183 WeakPolarHBondContact CA-O 3.19Å
176L95.3Very high90.2Very high3 Ų353.6 Ų53.62%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-118.7140.5-170.9-60.5-178.7000109.8T77 C169 V178 Q183 I185 I191T77-L176 HydrophobicContact CG2-CD1 4.19Å; C169-L176 VanDerWaalsContact SG-C 3.55Å; L176-V178 PolarHBondContact O-N 2.93Å; L176-Q183 PolarHBondContact N-O 3.39Å; L176-Q183 PolarHBondContact O-N 3.35Å; L176-I185 HydrophobicContact CD1-CD1 3.87Å; L176-I185 HydrophobicContact CD1-CG1 4.25Å; L176-I185 HydrophobicContact CG-CD1 4.05Å; L176-I185 HydrophobicContact CG-CG1 4.28Å; L176-I191 HydrophobicContact CD1-CD1 3.8Å; L176-I191 HydrophobicContact CD1-CG1 4.48Å
177C96.7Very high90.1Very high0 Ų055.6 Ų55.60%030%0.295CS..EExtended strand (participates in β ladder)trans-70.6124.3169.8-67.70000109.6C144 V163 D165 G166 T167 K181C144-C177 WeakPolarHBondContact CA-SG 3.38Å; C144-C177 HydrophobicContact CB-CB 3.72Å; C144-C177 WeakPolarHBondContact CB-SG 3.3Å; C144-C177 WeakPolarHBondContact SG-CA 3.06Å; C144-C177 WeakPolarHBondContact SG-CB 3.49Å; C144-C177 CovalentContact SG-SG 2.04Å; C144-C177 PolarHBondContact SG-SG 3.48Å; V163-C177 HydrophobicContact CG2-CB 3.43Å; V163-C177 VanDerWaalsContact CG2-CB 3.43Å; D165-C177 CarbonylContact C-O 3.56Å; D165-C177 VanDerWaalsContact CA-O 3.29Å; D165-C177 WeakPolarHBondContact CA-O 2.99Å; G166-C177 PolarHBondContact N-O 3.12Å; T167-C177 WeakPolarHBondContact O-CB 3.01Å; T167-C177 PolarHBondContact O-N 3.37Å; C177-K181 WeakPolarHBondContact CA-O 3.33Å
178V96.3Very high90Very high11 Ų1158.8 Ų58.87%0.06731%0.312CS..EExtended strand (participates in β ladder)trans-137.6127.2172.61730000108.2H99 D165 L176 G180 K181 Q183 I191H99-V178 HydrophobicContact CB-CG1 4.19Å; H99-V178 HydrophobicContact CB-CG2 4.31Å; H99-V178 VanDerWaalsContact CE1-CG1 3.49Å; H99-V178 WeakPolarHBondContact CE1-CG1 3.33Å; H99-V178 VanDerWaalsContact CG-CG1 3.48Å; H99-V178 WeakPolarHBondContact ND1-CG1 3.32Å; D165-V178 VanDerWaalsContact OD1-CA 3.27Å; D165-V178 WeakPolarHBondContact OD1-CA 3.46Å; L176-V178 PolarHBondContact O-N 2.93Å; V178-G180 PolarHBondContact O-N 3.21Å; V178-K181 PolarHBondContact N-O 3.27Å; V178-K181 PolarHBondContact O-N 3.23Å; V178-Q183 HydrophobicContact CB-CG 4.34Å; V178-I191 HydrophobicContact CB-CG2 4.45Å; V178-I191 HydrophobicContact CG2-CB 4.36Å; V178-I191 HydrophobicContact CG2-CD1 4.12Å; V178-I191 HydrophobicContact CG2-CG2 3.68Å
179N93.8Very high90Very high112 Ų11257.6 Ų57.660%0.59931%0.308SS*.THydrogen-bonded Turntrans52.436.3-176.7-78.8-24.2000113D165 K181D165-N179 PolarHBondContact OD1-N 3.28Å; N179-K181 PolarHBondContact O-N 2.8Å
180G95Very high90Very high25 Ų2558.6 Ų58.626%0.25831%0.312SS..THydrogen-bonded Turntrans72.67.9179.400000115.7C144 V178C144-G180 WeakPolarHBondContact CB-O 3.43Å; V178-G180 PolarHBondContact O-N 3.21Å
181K95.7Very high90.4Very high141 Ų14158.6 Ų58.661%0.61331%0.309SS*.EExtended strand (participates in β ladder)trans-113.3144.8174.1-66-175.5-179.4-177.80110C177 V178 N179 Q183C177-K181 WeakPolarHBondContact CA-O 3.33Å; V178-K181 PolarHBondContact N-O 3.27Å; V178-K181 PolarHBondContact O-N 3.23Å; N179-K181 PolarHBondContact O-N 2.8Å; K181-Q183 HydrophobicContact CB-CG 4.49Å; K181-Q183 PolarHBondContact O-N 3.36Å
182C95.3Very high91.2Very high46 Ų4655.6 Ų55.631%0.31130%0.297SS..EExtended strand (participates in β ladder)trans-76.5122.1171.1-171.30000109.3P143 C144 C169 D175P143-C182 HydrophobicContact CG-CB 4.26Å; C144-C182 PolarHBondContact SG-N 3.3Å; C144-C182 VanDerWaalsContact SG-N 3.37Å; C169-C182 HydrophobicContact CB-CB 3.89Å; C169-C182 WeakPolarHBondContact CB-SG 3.43Å; C169-C182 WeakPolarHBondContact SG-CA 3.33Å; C169-C182 WeakPolarHBondContact SG-CB 3.42Å; C169-C182 CovalentContact SG-SG 2.03Å; C169-C182 PolarHBondContact SG-SG 2.93Å; D175-C182 VanDerWaalsContact CB-SG 3.54Å
183Q95.1Very high92.3Very high65 Ų6548.3 Ų48.330%0.30427%0.273SS..EExtended strand (participates in β ladder)trans-125.3134.1-175.1-65.6-68.4-11.800110.2D175 L176 V178 K181 I191D175-Q183 WeakPolarHBondContact CA-O 3.19Å; L176-Q183 PolarHBondContact N-O 3.39Å; L176-Q183 PolarHBondContact O-N 3.35Å; V178-Q183 HydrophobicContact CB-CG 4.34Å; K181-Q183 HydrophobicContact CB-CG 4.49Å; K181-Q183 PolarHBondContact O-N 3.36Å; Q183-I191 HydrophobicContact CB-CG2 3.48Å; Q183-I191 VanDerWaalsContact CB-CG2 3.48Å; Q183-I191 HydrophobicContact CG-CG2 4.47Å
184K93.7Very high93.5Very high133 Ų13348.3 Ų48.358%0.57829%0.286SS*.PPolyproline II helixtrans-74.7142.1175.7-173.7168.8-174.5174.70110.9G192K184-G192 PolarHBondContact O-N 2.94Å
185I92.7Very high94.2Very high37 Ų3746.4 Ų46.419%0.1927%0.273CS..BIsolated β-bridgetrans-79120.1170.8-50.1174.4000108T77 A101 S174 L176 I191T77-I185 HydrophobicContact CG2-CD1 4.07Å; A101-I185 HydrophobicContact CB-CD1 3.94Å; A101-I185 HydrophobicContact CB-CG1 4.39Å; A101-I185 HydrophobicContact CB-CG2 3.8Å; S174-I185 WeakPolarHBondContact O-CD1 3.31Å; L176-I185 HydrophobicContact CD1-CD1 3.87Å; L176-I185 HydrophobicContact CD1-CG1 4.25Å; L176-I185 HydrophobicContact CG-CD1 4.05Å; L176-I185 HydrophobicContact CG-CG1 4.28Å; I185-I191 HydrophobicContact CG1-CG1 4.43Å
186G92.4Very high94.2Very high9 Ų951.9 Ų51.99%0.09330%0.295CS..PPolyproline II helixtrans-69163.7172.900000112.3D188 G189 I190 S193 A195G186-D188 PolarHBondContact O-N 2.96Å; G186-D188 VanDerWaalsContact O-N 3.15Å; G186-G189 WeakPolarHBondContact O-CA 3.35Å; G186-G189 PolarHBondContact O-N 2.93Å; G186-I190 PolarHBondContact N-O 2.93Å; G186-S193 WeakPolarHBondContact CA-OG 3.46Å; G186-A195 WeakPolarHBondContact CA-O 3.37Å
187C92.4Very high94Very high42 Ų4256.6 Ų56.628%0.28432%0.317SS..THydrogen-bonded Turntrans-65.4-15.3177.9580000113.7G189 A195 K196 E197 C203C187-G189 VanDerWaalsContact C-N 3.27Å; C187-A195 PolarHBondContact N-O 2.93Å; C187-K196 PolarHBondContact SG-N 2.92Å; C187-K196 VanDerWaalsContact SG-N 3.36Å; C187-K196 PolarHBondContact SG-O 2.91Å; C187-K196 VanDerWaalsContact SG-O 3.41Å; C187-E197 HydrophobicContact CB-CG 3.79Å; C187-C203 HydrophobicContact CB-CB 3.55Å; C187-C203 WeakPolarHBondContact CB-SG 3.38Å; C187-C203 WeakPolarHBondContact SG-CA 3.43Å; C187-C203 WeakPolarHBondContact SG-CB 3.5Å; C187-C203 CovalentContact SG-SG 2.02Å; C187-C203 PolarHBondContact SG-SG 3.45Å
188D93.4Very high93.6Very high66 Ų6657.8 Ų57.835%0.35332%0.323SS..THydrogen-bonded Turntrans-83.9-2172.158.7-2000113G186 I190 S193 A195 C203G186-D188 PolarHBondContact O-N 2.96Å; G186-D188 VanDerWaalsContact O-N 3.15Å; D188-I190 HydrophobicContact CB-CG1 4.48Å; D188-I190 PolarHBondContact O-N 3.35Å; D188-I190 WeakPolarHBondContact OD1-CB 3.32Å; D188-I190 PolarHBondContact OD1-N 2.95Å; D188-S193 PolarHBondContact OD1-OG 3.41Å; D188-S193 PolarHBondContact OD2-OG 2.93Å; D188-A195 HydrophobicContact CB-CB 4.2Å; D188-A195 WeakPolarHBondContact OD2-CB 3.4Å; D188-C203 PolarHBondContact N-SG 3.43Å; D188-C203 VanDerWaalsContact N-SG 3.38Å
189G93.4Very high93.1Very high18 Ų1863.4 Ų63.419%0.18634%0.343CS..SBendtrans77.70.6-175.600000114K100 A101 G186 C187K100-G189 WeakPolarHBondContact CA-O 3.5Å; K100-G189 WeakPolarHBondContact CG-O 2.86Å; A101-G189 PolarHBondContact N-O 3.4Å; G186-G189 WeakPolarHBondContact O-CA 3.35Å; G186-G189 PolarHBondContact O-N 2.93Å; C187-G189 VanDerWaalsContact C-N 3.27Å
190I95.2Very high92.8Very high23 Ų2359.1 Ų59.112%0.11832%0.321CS..BIsolated β-bridgetrans-80.9132.2177.2-57.6-60.7000108.9W68 E98 K100 G186 D188 S193W68-I190 HydrophobicContact CH2-CD1 4.27Å; E98-I190 HydrophobicContact CG-CD1 4.4Å; E98-I190 HydrophobicContact CG-CG2 4.02Å; K100-I190 HydrophobicContact CB-CD1 4.01Å; K100-I190 HydrophobicContact CD-CD1 3.95Å; K100-I190 HydrophobicContact CG-CD1 3.97Å; G186-I190 PolarHBondContact N-O 2.93Å; D188-I190 HydrophobicContact CB-CG1 4.48Å; D188-I190 PolarHBondContact O-N 3.35Å; D188-I190 WeakPolarHBondContact OD1-CB 3.32Å; D188-I190 PolarHBondContact OD1-N 2.95Å; I190-S193 PolarHBondContact O-OG 3.38Å
191I95.7Very high92.5Very high14 Ų1459.5 Ų59.57%0.07233%0.326CS..BIsolated β-bridgetrans-83.6124.1-176.3-56.7169.2000108.6A79 H99 A101 L176 V178 Q183 I185 S193A79-I191 HydrophobicContact CB-CD1 3.61Å; H99-I191 HydrophobicContact CB-CB 4.12Å; H99-I191 HydrophobicContact CB-CD1 4.16Å; H99-I191 PolarHBondContact O-N 3.5Å; A101-I191 HydrophobicContact CB-CG1 4.36Å; L176-I191 HydrophobicContact CD1-CD1 3.8Å; L176-I191 HydrophobicContact CD1-CG1 4.48Å; V178-I191 HydrophobicContact CB-CG2 4.45Å; V178-I191 HydrophobicContact CG2-CB 4.36Å; V178-I191 HydrophobicContact CG2-CD1 4.12Å; V178-I191 HydrophobicContact CG2-CG2 3.68Å; Q183-I191 HydrophobicContact CB-CG2 3.48Å; Q183-I191 VanDerWaalsContact CB-CG2 3.48Å; Q183-I191 HydrophobicContact CG-CG2 4.47Å; I185-I191 HydrophobicContact CG1-CG1 4.43Å; I191-S193 VanDerWaalsContact C-N 3.33Å
192G93.4Very high92.2Very high40 Ų4055.9 Ų55.941%0.41232%0.315SS..THydrogen-bonded Turntrans79.113.2-175.300000114K184K184-G192 PolarHBondContact O-N 2.94Å
193S93.8Very high92.1Very high34 Ų3456 Ų5624%0.23832%0.316CS..  trans-74.5156.3172.978.80000111.4G186 D188 I190 I191 A195G186-S193 WeakPolarHBondContact CA-OG 3.46Å; D188-S193 PolarHBondContact OD1-OG 3.41Å; D188-S193 PolarHBondContact OD2-OG 2.93Å; I190-S193 PolarHBondContact O-OG 3.38Å; I191-S193 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 3.36Å; S193-A195 PolarHBondContact OG-N 3.34Å
194S93.1Very high92.1Very high114 Ų11458.3 Ų58.380%0.79733%0.331SS*.  trans-79.3-2.3173.453.80000113.1K196S194-K196 PolarHBondContact O-N 3.48Å
195A93.7Very high92Very high6 Ų653.4 Ų53.45%0.0532%0.317CS..  trans-69.7124.5-17400000111.3G186 C187 D188 S193 N204G186-A195 WeakPolarHBondContact CA-O 3.37Å; C187-A195 PolarHBondContact N-O 2.93Å; D188-A195 HydrophobicContact CB-CB 4.2Å; D188-A195 WeakPolarHBondContact OD2-CB 3.4Å; S193-A195 PolarHBondContact O-N 3.36Å; S193-A195 PolarHBondContact OG-N 3.34Å; A195-N204 WeakPolarHBondContact CA-OD1 3.42Å
196K92.8Very high92.1Very high150 Ų15056.3 Ų56.365%0.65233%0.333SS*.  trans-128145.7-178.4-66.9176.1-173.5176.90110.4C187 S194 N204C187-K196 PolarHBondContact SG-N 2.92Å; C187-K196 VanDerWaalsContact SG-N 3.36Å; C187-K196 PolarHBondContact SG-O 2.91Å; C187-K196 VanDerWaalsContact SG-O 3.41Å; S194-K196 PolarHBondContact O-N 3.48Å; K196-N204 PolarHBondContact N-OD1 2.91Å; K196-N204 PolarHBondContact O-N 3.36Å
197E90.8Very high91.9Very high103 Ų10356 Ų5648%0.48133%0.33SS..BIsolated β-bridgetrans-60.7136.2166.3-67.2179.8170.600108.4C187 V202 K229C187-E197 HydrophobicContact CB-CG 3.79Å; E197-V202 WeakPolarHBondContact CA-O 3.28Å; E197-K229 IonicContact OE1-NZ 3.03Å; E197-K229 PolarHBondContact OE1-NZ 3Å; E197-K229 VanDerWaalsContact OE1-NZ 3.13Å; E197-K229 IonicContact OE2-NZ 3.13Å; E197-K229 PolarHBondContact OE2-NZ 2.94Å; E197-K229 VanDerWaalsContact OE2-NZ 3.14Å
198D88.6Confident91.8Very high25 Ų2561.5 Ų61.513%0.13435%0.349CS..  trans-73.7-177.5168.972.6-0.2000110.7C200 G201 V202 G205 G207D198-C200 PolarHBondContact O-N 2.72Å; D198-C200 VanDerWaalsContact OD1-CA 3.24Å; D198-C200 WeakPolarHBondContact OD1-CA 3.31Å; D198-C200 VanDerWaalsContact OD1-CB 3.28Å; D198-C200 WeakPolarHBondContact OD1-CB 3.31Å; D198-C200 PolarHBondContact OD1-N 3.19Å; D198-G201 PolarHBondContact O-N 2.73Å; D198-G201 PolarHBondContact OD1-N 3.34Å; D198-G201 VanDerWaalsContact OD1-N 3.12Å; D198-V202 PolarHBondContact N-O 3.29Å; D198-V202 PolarHBondContact OD1-N 2.95Å; D198-G205 WeakPolarHBondContact CB-O 3.31Å; D198-G205 WeakPolarHBondContact OD2-CA 3.41Å; D198-G207 WeakPolarHBondContact OD2-CA 3.38Å; D198-G207 PolarHBondContact OD2-N 2.94Å
199R86.1Confident91.7Very high129 Ų12962.2 Ų62.249%0.48736%0.359SS..THydrogen-bonded Turntrans-65.812173.965.3156.5178.8-90.2-3.7114.3G207 C210 I212 Y245R199-G207 PolarHBondContact NE-O 3.24Å; R199-G207 VanDerWaalsContact NH2-C 3.29Å; R199-G207 PolarHBondContact NH2-O 3.03Å; R199-C210 PolarHBondContact O-SG 2.98Å; R199-I212 HydrophobicContact CB-CD1 4.44Å; R199-Y245 WeakPolarHBondContact CA-OH 3.43Å; R199-Y245 WeakPolarHBondContact O-CE1 3.5Å; R199-Y245 PolarHBondContact O-OH 3.29Å
200C86.6Confident91.3Very high21 Ų2162.8 Ų62.814%0.14236%0.36CS..THydrogen-bonded Turntrans-126.95.4176.5-64.10000111.4D198 V202 G207 S209 C210D198-C200 PolarHBondContact O-N 2.72Å; D198-C200 VanDerWaalsContact OD1-CA 3.24Å; D198-C200 WeakPolarHBondContact OD1-CA 3.31Å; D198-C200 VanDerWaalsContact OD1-CB 3.28Å; D198-C200 WeakPolarHBondContact OD1-CB 3.31Å; D198-C200 PolarHBondContact OD1-N 3.19Å; C200-V202 HydrophobicContact CB-CG2 4.34Å; C200-V202 PolarHBondContact O-N 3.04Å; C200-G207 PolarHBondContact SG-O 3.46Å; C200-S209 WeakPolarHBondContact CB-OG 3.31Å; C200-C210 WeakPolarHBondContact CA-SG 3.43Å; C200-C210 HydrophobicContact CB-CB 3.62Å; C200-C210 WeakPolarHBondContact CB-SG 3.37Å; C200-C210 VanDerWaalsContact SG-CA 3.54Å; C200-C210 WeakPolarHBondContact SG-CB 3.5Å; C200-C210 PolarHBondContact SG-N 3.01Å; C200-C210 CovalentContact SG-SG 2.03Å; C200-C210 PolarHBondContact SG-SG 3.46Å
201G87.9Confident90.9Very high34 Ų3470.8 Ų70.835%0.35139%0.394SS..SBendtrans76.68.1-174.700000113.8D198D198-G201 PolarHBondContact O-N 2.73Å; D198-G201 PolarHBondContact OD1-N 3.34Å; D198-G201 VanDerWaalsContact OD1-N 3.12Å
202V91Very high89.9Confident64 Ų6473.6 Ų73.639%0.38841%0.409SS..  trans-90.7127.7179.7-1790000109.5E197 D198 C200 N204 G205 S209E197-V202 WeakPolarHBondContact CA-O 3.28Å; D198-V202 PolarHBondContact N-O 3.29Å; D198-V202 PolarHBondContact OD1-N 2.95Å; C200-V202 HydrophobicContact CB-CG2 4.34Å; C200-V202 PolarHBondContact O-N 3.04Å; V202-N204 PolarHBondContact O-N 2.95Å; V202-G205 PolarHBondContact O-N 3.5Å; V202-G205 VanDerWaalsContact O-N 3.15Å; V202-S209 WeakPolarHBondContact CG2-OG 3.26Å
203C93.4Very high89.2Confident49 Ų4977.4 Ų77.433%0.33142%0.418SS..BIsolated β-bridgetrans-64.7123-179.2-171.10000111.7C187 D188 G205C187-C203 HydrophobicContact CB-CB 3.55Å; C187-C203 WeakPolarHBondContact CB-SG 3.38Å; C187-C203 WeakPolarHBondContact SG-CA 3.43Å; C187-C203 WeakPolarHBondContact SG-CB 3.5Å; C187-C203 CovalentContact SG-SG 2.02Å; C187-C203 PolarHBondContact SG-SG 3.45Å; D188-C203 PolarHBondContact N-SG 3.43Å; D188-C203 VanDerWaalsContact N-SG 3.38Å; C203-G205 PolarHBondContact O-N 3.48Å; C203-G205 VanDerWaalsContact O-N 3.12Å
204N94.4Very high88.3Confident114 Ų11482.4 Ų82.461%0.6144%0.436SS*.THydrogen-bonded Turntrans49.931.1-173.3-64-27.4000113.4A195 K196 V202A195-N204 WeakPolarHBondContact CA-OD1 3.42Å; K196-N204 PolarHBondContact N-OD1 2.91Å; K196-N204 PolarHBondContact O-N 3.36Å; V202-N204 PolarHBondContact O-N 2.95Å
205G91.7Very high87Confident29 Ų2980.4 Ų80.430%0.29943%0.433SS..  trans-74.7165.4178.500000112.9D198 V202 C203 G207D198-G205 WeakPolarHBondContact CB-O 3.31Å; D198-G205 WeakPolarHBondContact OD2-CA 3.41Å; V202-G205 PolarHBondContact O-N 3.5Å; V202-G205 VanDerWaalsContact O-N 3.15Å; C203-G205 PolarHBondContact O-N 3.48Å; C203-G205 VanDerWaalsContact O-N 3.12Å; G205-G207 VanDerWaalsContact C-N 3.33Å
206D94.1Very high85.5Confident98 Ų9888.2 Ų88.252%0.52447%0.474SS..  trans-91.63.8178.574.5-16.3000113.1K208D206-K208 VanDerWaalsContact C-N 3.27Å; D206-K208 PolarHBondContact O-N 3.01Å; D206-K208 WeakPolarHBondContact OD1-CB 3.47Å; D206-K208 PolarHBondContact OD1-N 3.24Å; D206-K208 VanDerWaalsContact OD1-N 3.08Å; D206-K208 WeakPolarHBondContact OD2-CD 3.4Å; D206-K208 WeakPolarHBondContact OD2-CE 3.32Å; D206-K208 WeakPolarHBondContact OD2-CG 3.29Å; D206-K208 IonicContact OD2-NZ 2.91Å; D206-K208 PolarHBondContact OD2-NZ 3.48Å
207G89.2Confident83.6Confident2 Ų289.3 Ų89.32%0.02148%0.479CS..SBendtrans71.814.1-179.600000114.5D198 R199 C200 G205D198-G207 WeakPolarHBondContact OD2-CA 3.38Å; D198-G207 PolarHBondContact OD2-N 2.94Å; R199-G207 PolarHBondContact NE-O 3.24Å; R199-G207 VanDerWaalsContact NH2-C 3.29Å; R199-G207 PolarHBondContact NH2-O 3.03Å; C200-G207 PolarHBondContact SG-O 3.46Å; G205-G207 VanDerWaalsContact C-N 3.33Å
208K90.7Very high81.3Confident159 Ų15989.9 Ų89.969%0.69149%0.485SS*.  trans-98.1-9.2-179-59.8-175.6-160.3139.70114D206 C210D206-K208 VanDerWaalsContact C-N 3.27Å; D206-K208 PolarHBondContact O-N 3.01Å; D206-K208 WeakPolarHBondContact OD1-CB 3.47Å; D206-K208 PolarHBondContact OD1-N 3.24Å; D206-K208 VanDerWaalsContact OD1-N 3.08Å; D206-K208 WeakPolarHBondContact OD2-CD 3.4Å; D206-K208 WeakPolarHBondContact OD2-CE 3.32Å; D206-K208 WeakPolarHBondContact OD2-CG 3.29Å; D206-K208 IonicContact OD2-NZ 2.91Å; D206-K208 PolarHBondContact OD2-NZ 3.48Å; K208-C210 PolarHBondContact O-N 3.25Å
209S89.4Confident79.7Confident81 Ų8197 Ų9757%0.56652%0.517SS*.SBendtrans-70.4-13.5178.455.90000113.7C200 V202C200-S209 WeakPolarHBondContact CB-OG 3.31Å; V202-S209 WeakPolarHBondContact CG2-OG 3.26Å
210C86.5Confident77.8Confident30 Ų3096.3 Ų96.320%0.20353%0.528CS..SBendtrans-138.3163.3177.778.30000111.2R199 C200 K208R199-C210 PolarHBondContact O-SG 2.98Å; C200-C210 WeakPolarHBondContact CA-SG 3.43Å; C200-C210 HydrophobicContact CB-CB 3.62Å; C200-C210 WeakPolarHBondContact CB-SG 3.37Å; C200-C210 VanDerWaalsContact SG-CA 3.54Å; C200-C210 WeakPolarHBondContact SG-CB 3.5Å; C200-C210 PolarHBondContact SG-N 3.01Å; C200-C210 CovalentContact SG-SG 2.03Å; C200-C210 PolarHBondContact SG-SG 3.46Å; K208-C210 PolarHBondContact O-N 3.25Å
211K86.1Confident75.7Confident190 Ų190106.1 Ų106.183%0.82656%0.562SS**  trans-113131.2168-66.2-177.6-179.2178.20108.5I213K211-I213 PolarHBondContact O-N 3.27Å
212I74.3Confident73.6Confident74 Ų74108.2 Ų108.238%0.37958%0.583SS.*PPolyproline II helixtrans-74.3118.5172.5-59.7-178000107.6R199 K214R199-I212 HydrophobicContact CB-CD1 4.44Å; I212-K214 HydrophobicContact CG2-CG 4.15Å
213I80.2Confident70.9Confident119 Ų119114.7 Ų114.761%0.6161%0.612SS**PPolyproline II helixtrans-99.3116.3171.7-53.6175.8000106.6K211 L246K211-I213 PolarHBondContact O-N 3.27Å; I213-L246 HydrophobicContact CD1-CD1 4.29Å
214K73.8Confident68.1Low139 Ų139115.3 Ų115.360%0.60463%0.626SS**PPolyproline II helixtrans-96.7132.2171.6-66.4-171.5175.4-169.80108.6I212 E241I212-K214 HydrophobicContact CG2-CG 4.15Å; K214-E241 IonicContact NZ-OE1 3.08Å; K214-E241 PolarHBondContact NZ-OE1 3.18Å; K214-E241 IonicContact NZ-OE2 2.64Å; K214-E241 PolarHBondContact NZ-OE2 3.41Å
215G66.9Low65.2Low72 Ų72119.4 Ų119.474%0.74264%0.641SS**  trans-163.7154.2176.800000112.1
216D61.7Low62.7Low170 Ų170122.9 Ų122.991%0.90965%0.653SS**  trans-81.9122.1178.4-65.9-52.5000110.7N218D216-N218 PolarHBondContact O-N 2.94Å
217F52.3Low59.8Low173 Ų173123.1 Ų123.176%0.75967%0.668SS**  trans-83.4104.6-178.9-148.5-92.3000110.1
218N43.3Very low57.1Low115 Ų115132.4 Ų132.462%0.61571%0.708SS**  trans-93.7112.9170.4-168.4-19.3000109.6D216 T220D216-N218 PolarHBondContact O-N 2.94Å; N218-T220 PolarHBondContact O-N 3.47Å; N218-T220 PolarHBondContact OD1-OG1 3.38Å
219H55.3Low54.4Low175 Ų175132.5 Ų132.581%0.8171%0.708SS**THydrogen-bonded Turntrans-64.22.6-171.2-147.1-72.6000115.1
220T45.5Very low51.6Low114 Ų114139.9 Ų139.970%0.69972%0.724SS**THydrogen-bonded Turntrans-91-9-173.248.70000114.8N218N218-T220 PolarHBondContact O-N 3.47Å; N218-T220 PolarHBondContact OD1-OG1 3.38Å
221R42.5Very low49Very low228 Ų228146.4 Ų146.486%0.8675%0.751SS**SBendtrans-126.894.1177.7-71.7-177.5173171.5-1.6110.6
222G42.5Very low46.4Very low77 Ų77143.8 Ų143.879%0.79474%0.736SS**  trans-72130.817000000111.4
223M36.2Very low44.4Very low201 Ų201149.4 Ų149.499%0.9976%0.761SS**  -177.3132117.8-139.7179.7-83.200109.3
224G33.1Very low42.2Very low61 Ų61151.6 Ų151.663%0.62977%0.772SS**  trans152.3103.7173.400000109.8L226G224-L226 VanDerWaalsContact C-N 3.29Å; G224-L226 PolarHBondContact O-N 3.32Å
225E34.7Very low40.2Very low201 Ų201150.8 Ų150.894%0.93977%0.774SS**  trans-59.993.7173.4-72.3-174.9146.300109.2A227E225-A227 PolarHBondContact O-N 3.01Å; E225-A227 VanDerWaalsContact O-N 3.11Å
226L38.8Very low38.7Very low102 Ų102157 Ų15753%0.53478%0.775SS.*  trans-58.7114.1163.8-74.3161.8000106.5G224 K228 F244G224-L226 VanDerWaalsContact C-N 3.29Å; G224-L226 PolarHBondContact O-N 3.32Å; L226-K228 PolarHBondContact O-N 2.96Å; L226-F244 HydrophobicContact CD2-CD1 4.32Å
227A33.2Very low37.3Very low102 Ų102157.5 Ų157.584%0.84377%0.772SS**  trans-56.497.4163.400000107.2E225 K229E225-A227 PolarHBondContact O-N 3.01Å; E225-A227 VanDerWaalsContact O-N 3.11Å; A227-K229 PolarHBondContact O-N 3.48Å
228K31.9Very low36.3Very low198 Ų198160.3 Ų160.386%0.86178%0.777SS**  trans-63.985.2174.3-72.8-177.7176.71790108.1L226 R230L226-K228 PolarHBondContact O-N 2.96Å; K228-R230 PolarHBondContact O-N 2.97Å; K228-R230 VanDerWaalsContact O-N 3.13Å
229K33.9Very low35.7Very low161 Ų161163.9 Ų163.970%0.779%0.79SS**  trans-65.1111.5155.5-159.8175.5-174.6177.60103.9E197 A227 E231E197-K229 IonicContact OE1-NZ 3.03Å; E197-K229 PolarHBondContact OE1-NZ 3Å; E197-K229 VanDerWaalsContact OE1-NZ 3.13Å; E197-K229 IonicContact OE2-NZ 3.13Å; E197-K229 PolarHBondContact OE2-NZ 2.94Å; E197-K229 VanDerWaalsContact OE2-NZ 3.14Å; A227-K229 PolarHBondContact O-N 3.48Å; K229-E231 PolarHBondContact O-N 3.28Å
230R30.8Very low34.6Very low235 Ų235161.6 Ų161.689%0.88778%0.783SS**  trans-39.5112.3-175.1-77-179.4177.5-159.4-0.2110.6K228 R232K228-R230 PolarHBondContact O-N 2.97Å; K228-R230 VanDerWaalsContact O-N 3.13Å; R230-R232 PolarHBondContact O-N 2.91Å; R230-R232 VanDerWaalsContact O-N 3.13Å
231E32.2Very low33.9Very low167 Ų167162.7 Ų162.778%0.7878%0.78SS**  trans-57111.9167.5-131.7159.6-170.800106.9K229K229-E231 PolarHBondContact O-N 3.28Å
232R32Very low33.5Very low136 Ų136160.9 Ų160.951%0.51377%0.773SS.*  trans-91.6111.7157.8-79.8-168.8-91-150.7-6.2105.5Y172 E173 S174 R230 I234Y172-R232 WeakPolarHBondContact O-CD 3.49Å; Y172-R232 PolarHBondContact O-NH1 3.13Å; E173-R232 VanDerWaalsContact C-NH1 3.27Å; S174-R232 VanDerWaalsContact OG-CZ 3.26Å; S174-R232 PolarHBondContact OG-NH1 3.09Å; S174-R232 PolarHBondContact OG-NH2 3.15Å; R230-R232 PolarHBondContact O-N 2.91Å; R230-R232 VanDerWaalsContact O-N 3.13Å; R232-I234 PolarHBondContact O-N 3.18Å
233E32.7Very low33Very low192 Ų192159.2 Ų159.290%0.89775%0.749SS**  trans-46103.3167.9-89.7170.9137.100109.2
234I32.4Very low33.4Very low165 Ų165155.5 Ų155.585%0.84673%0.727SS**  trans-109.998.5158.2-62.9175.4000104.2R232R232-I234 PolarHBondContact O-N 3.18Å
235D32.6Very low33.6Very low121 Ų121158.4 Ų158.465%0.64772%0.72SS**  trans-123.5120163.7-159.327000104.8
236R34.9Very low33.6Very low202 Ų202155.1 Ų155.176%0.76271%0.708SS**SBend-154.6151.552.3-78.6174.2-81.7-110.60.2111.6
237H31.7Very low33.2Very low182 Ų182154.7 Ų154.784%0.84372%0.72SS**SBendtrans89.756.7169-62.1-8.7000118.1
238R32.7Very low33Very low231 Ų231158 Ų15887%0.87272%0.722SS**SBendtrans-149.6133.8140-144168.9-77.5-155-3.1108.8I240R238-I240 PolarHBondContact O-N 3.33Å
239E31.2Very low33.1Very low191 Ų191160.2 Ų160.289%0.89374%0.742SS**  trans-44.5122.4177.6-72.7167147.400110.4E241E239-E241 VanDerWaalsContact C-N 3.32Å; E239-E241 PolarHBondContact O-N 3.27Å
240I31.3Very low33.1Very low126 Ų126160.2 Ų160.265%0.64674%0.744SS**  trans-77.784.4-175.6-52.2176.9000108.1R238 R242R238-I240 PolarHBondContact O-N 3.33Å; I240-R242 VanDerWaalsContact C-N 3.33Å; I240-R242 HydrophobicContact CG2-CB 4.48Å; I240-R242 HydrophobicContact CG2-CG 3.37Å; I240-R242 PolarHBondContact O-N 3.22Å; I240-R242 VanDerWaalsContact O-N 3.13Å
241E30.3Very low33.2Very low138 Ų138156.2 Ų156.265%0.64574%0.737SS**  trans-72.794.5153.5-77-154.1146.200107.7K214 E239 C243K214-E241 IonicContact NZ-OE1 3.08Å; K214-E241 PolarHBondContact NZ-OE1 3.18Å; K214-E241 IonicContact NZ-OE2 2.64Å; K214-E241 PolarHBondContact NZ-OE2 3.41Å; E239-E241 VanDerWaalsContact C-N 3.32Å; E239-E241 PolarHBondContact O-N 3.27Å; E241-C243 VanDerWaalsContact C-N 3.26Å; E241-C243 PolarHBondContact O-N 3.03Å
242R34.5Very low33.3Very low190 Ų190155.6 Ų155.672%0.71773%0.734SS**  trans-67.182.6172.3-66.9-171.6176-177.2-3.3109.8I240 F244I240-R242 VanDerWaalsContact C-N 3.33Å; I240-R242 HydrophobicContact CG2-CB 4.48Å; I240-R242 HydrophobicContact CG2-CG 3.37Å; I240-R242 PolarHBondContact O-N 3.22Å; I240-R242 VanDerWaalsContact O-N 3.13Å; R242-F244 HydrophobicContact CB-CD2 4.4Å; R242-F244 HydrophobicContact CB-CE2 4.12Å; R242-F244 PolarHBondContact O-N 2.75Å
243C32.3Very low33.4Very low41 Ų41156.8 Ų156.828%0.27775%0.747SS.*  trans-85.1106.1167.9-68.80000109.1E241E241-C243 VanDerWaalsContact C-N 3.26Å; E241-C243 PolarHBondContact O-N 3.03Å
244F44.2Very low33.4Very low123 Ų123154.6 Ų154.654%0.53974%0.738SS.*  trans-93.6134.3167.4-74.4-83.7000110L226 R242L226-F244 HydrophobicContact CD2-CD1 4.32Å; R242-F244 HydrophobicContact CB-CD2 4.4Å; R242-F244 HydrophobicContact CB-CE2 4.12Å; R242-F244 PolarHBondContact O-N 2.75Å
245Y37.3Very low33.5Very low122 Ų122153.9 Ų153.948%0.47873%0.731SS.*  trans-87.8121.5178.5-60.1-62.9000110.7R199R199-Y245 WeakPolarHBondContact CA-OH 3.43Å; R199-Y245 WeakPolarHBondContact O-CE1 3.5Å; R199-Y245 PolarHBondContact O-OH 3.29Å
246L34.6Very low33.5Very low132 Ų132156.2 Ų156.269%0.69174%0.737SS**  trans-89.9109.7162.2-95.2147000107.7I213 L248I213-L246 HydrophobicContact CD1-CD1 4.29Å; L246-L248 PolarHBondContact O-N 3.25Å
247A29.5Very low33.4Very low94 Ų94152.7 Ų152.778%0.77774%0.735SS**  trans-71.9110.416200000107.1L249A247-L249 PolarHBondContact O-N 2.94Å
248L30.6Very low33.6Very low172 Ų172150.3 Ų150.390%0.90173%0.726SS**  trans-71.1116.3167.4-80.1157.5000107.2L246L246-L248 PolarHBondContact O-N 3.25Å
249L34.1Very low33.6Very low243 Ų243142.9 Ų142.9100%1.27271%0.712SS**  trans-67.60161.3-80.2166.1000110A247A247-L249 PolarHBondContact O-N 2.94Å

Retrieved 249 of 249 residues in 45.8 ms (Link to these results)