A0A093I812_STRCA Loading...

Tumor necrosis factor receptor superfamily member 19

AlphaFold DB , UniProt , Accession A0A093I812, Species STRCA (Struthio camelus australis), Gene n/a, Length 410 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M44.6Very low54.4Low228 Ų228122.1 Ų122.1100%1.12364%0.644SS**  091.80-71.9172.594.700106.6T3M1-T3 PolarHBondContact O-N 3.27Å
2D47Very low56.6Low146 Ų146124.8 Ų124.878%0.78165%0.647SS**  trans-80.299.6-166.7-66.3-73.3000112K4D2-K4 PolarHBondContact O-N 2.89Å
3T50Low58.5Low127 Ų127123.2 Ų123.278%0.77964%0.639SS**THydrogen-bonded Turntrans-732.4173.846.20000113.7M1M1-T3 PolarHBondContact O-N 3.27Å
4K49.1Very low60.1Low190 Ų190121.9 Ų121.983%0.82663%0.626SS**THydrogen-bonded Turntrans-84.3-19.2178.5-76.4179.9177.7174.30114.1D2D2-K4 PolarHBondContact O-N 2.89Å
5G48Very low61.8Low44 Ų44121.5 Ų121.545%0.45462%0.622SS.*THydrogen-bonded Turntrans-73.2-42.9177.500000113.5H7 G8G5-H7 VanDerWaalsContact C-N 3.32Å; G5-H7 PolarHBondContact O-N 3.18Å; G5-G8 PolarHBondContact O-N 3.38Å
6L50.5Low63.3Low132 Ų132121.7 Ų121.769%0.69162%0.617SS**Hα-helixtrans-64.9-30.5-175.3-105.583.5000114.1G8 D10L6-G8 VanDerWaalsContact C-N 3.35Å; L6-D10 PolarHBondContact O-N 3.15Å
7H48.5Very low64.7Low115 Ų115120.4 Ų120.453%0.53261%0.611SS.*Hα-helixtrans-75.4-24.3-176.2-164.671.8000113.1G5 K11G5-H7 VanDerWaalsContact C-N 3.32Å; G5-H7 PolarHBondContact O-N 3.18Å; H7-K11 PolarHBondContact CD2-NZ 3.2Å; H7-K11 WeakPolarHBondContact NE2-CE 3.47Å; H7-K11 PolarHBondContact NE2-NZ 3.28Å; H7-K11 WeakPolarHBondContact O-CG 3.05Å
8G56.5Low65.9Low37 Ų37122.3 Ų122.338%0.38162%0.615SS.*Hα-helixtrans-80.9-34.8175.700000112.8G5 L6 K12G5-G8 PolarHBondContact O-N 3.38Å; L6-G8 VanDerWaalsContact C-N 3.35Å; G8-K12 WeakPolarHBondContact O-CG 3.41Å; G8-K12 PolarHBondContact O-N 3.42Å; G8-K12 VanDerWaalsContact O-N 3.16Å
9E59.9Low67Low134 Ų134120.6 Ų120.663%0.62661%0.607SS**Hα-helixtrans-72.5-40.1178.3-66.4-177.3122.900111.9K11 K12 L13E9-K11 PolarHBondContact O-N 3.44Å; E9-K12 PolarHBondContact O-N 2.91Å; E9-L13 VanDerWaalsContact O-CB 3.3Å; E9-L13 WeakPolarHBondContact O-CB 3.06Å; E9-L13 PolarHBondContact O-N 2.82Å
10D69.9Low67.8Low65 Ų65118.6 Ų118.635%0.34860%0.598SS.*Hα-helixtrans-63.8-38175.1-177.734000112.3L6 K14L6-D10 PolarHBondContact O-N 3.15Å; D10-K14 WeakPolarHBondContact O-CB 3.01Å; D10-K14 VanDerWaalsContact O-CG 3.32Å; D10-K14 WeakPolarHBondContact O-CG 3.5Å; D10-K14 PolarHBondContact O-N 2.7Å; D10-K14 WeakPolarHBondContact OD1-CE 3.28Å; D10-K14 IonicContact OD1-NZ 3.23Å; D10-K14 PolarHBondContact OD1-NZ 3.32Å; D10-K14 IonicContact OD2-NZ 2.73Å; D10-K14 PolarHBondContact OD2-NZ 2.74Å
11K74.6Confident68.5Low125 Ų125115.3 Ų115.354%0.54359%0.589SS.*Hα-helixtrans-67.4-41.4174.9-76-179.6-178172.40112.6H7 E9 M15H7-K11 PolarHBondContact CD2-NZ 3.2Å; H7-K11 WeakPolarHBondContact NE2-CE 3.47Å; H7-K11 PolarHBondContact NE2-NZ 3.28Å; H7-K11 WeakPolarHBondContact O-CG 3.05Å; E9-K11 PolarHBondContact O-N 3.44Å; K11-M15 VanDerWaalsContact O-CB 3.28Å; K11-M15 WeakPolarHBondContact O-CB 3.26Å; K11-M15 PolarHBondContact O-N 3.36Å
12K80.1Confident70.4Confident155 Ų155110.3 Ų110.367%0.67456%0.558SS**Hα-helixtrans-67.4-41176.1-76.1-173.1178.9-175.70111.5G8 E9 M15 F16G8-K12 WeakPolarHBondContact O-CG 3.41Å; G8-K12 PolarHBondContact O-N 3.42Å; G8-K12 VanDerWaalsContact O-N 3.16Å; E9-K12 PolarHBondContact O-N 2.91Å; K12-M15 PolarHBondContact O-N 2.65Å; K12-F16 WeakPolarHBondContact O-CB 3.36Å; K12-F16 PolarHBondContact O-N 3.21Å
13L81.8Confident71.8Confident104 Ų104108 Ų10855%0.54555%0.545SS..Hα-helixtrans-63.6-46.6176-176.665.4000111.4E9 M15 F16 I17E9-L13 VanDerWaalsContact O-CB 3.3Å; E9-L13 WeakPolarHBondContact O-CB 3.06Å; E9-L13 PolarHBondContact O-N 2.82Å; L13-M15 PolarHBondContact O-N 2.83Å; L13-F16 PolarHBondContact O-N 3.45Å; L13-I17 HydrophobicContact CD1-CD1 4.39Å; L13-I17 HydrophobicContact CG-CD1 4.05Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.19Å; L13-I17 PolarHBondContact O-N 2.84Å
14K81.6Confident72.9Confident105 Ų105106.3 Ų106.346%0.45753%0.531SS..Hα-helixtrans-60.4-45.5174.4-78.2169.3177.91580112D10 F16 I17 F18D10-K14 WeakPolarHBondContact O-CB 3.01Å; D10-K14 VanDerWaalsContact O-CG 3.32Å; D10-K14 WeakPolarHBondContact O-CG 3.5Å; D10-K14 PolarHBondContact O-N 2.7Å; D10-K14 WeakPolarHBondContact OD1-CE 3.28Å; D10-K14 IonicContact OD1-NZ 3.23Å; D10-K14 PolarHBondContact OD1-NZ 3.32Å; D10-K14 IonicContact OD2-NZ 2.73Å; D10-K14 PolarHBondContact OD2-NZ 2.74Å; K14-F16 VanDerWaalsContact C-N 3.31Å; K14-F16 PolarHBondContact O-N 3.43Å; K14-I17 PolarHBondContact O-N 2.02Å; K14-F18 WeakPolarHBondContact O-CD2 3.3Å; K14-F18 PolarHBondContact O-N 2.96Å
15M85.2Confident73.6Confident116 Ų11699.8 Ų99.857%0.57151%0.51SS*.Hα-helixtrans-60.7-41175.7-173.6-157.773.700111.4K11 K12 L13 F18 L19K11-M15 VanDerWaalsContact O-CB 3.28Å; K11-M15 WeakPolarHBondContact O-CB 3.26Å; K11-M15 PolarHBondContact O-N 3.36Å; K12-M15 PolarHBondContact O-N 2.65Å; L13-M15 PolarHBondContact O-N 2.83Å; M15-F18 PolarHBondContact O-N 3.11Å; M15-L19 WeakPolarHBondContact O-CB 3.38Å; M15-L19 PolarHBondContact O-N 2.86Å
16F86.3Confident74.3Confident124 Ų124105.5 Ų105.554%0.54452%0.517SS..Hα-helixtrans-66.5-40.9177-150.7-101.5000111.7K12 L13 K14 L19 L20K12-F16 WeakPolarHBondContact O-CB 3.36Å; K12-F16 PolarHBondContact O-N 3.21Å; L13-F16 PolarHBondContact O-N 3.45Å; K14-F16 VanDerWaalsContact C-N 3.31Å; K14-F16 PolarHBondContact O-N 3.43Å; F16-L19 PolarHBondContact O-N 2.97Å; F16-L20 HydrophobicContact CD1-CD1 3.32Å; F16-L20 HydrophobicContact CE1-CD1 3.42Å; F16-L20 VanDerWaalsContact CE1-CD1 3.42Å; F16-L20 HydrophobicContact CG-CD1 4.35Å; F16-L20 WeakPolarHBondContact O-CB 3.46Å; F16-L20 WeakPolarHBondContact O-CD1 3.49Å; F16-L20 PolarHBondContact O-N 3.4Å
17I86.9Confident74.7Confident100 Ų100104.8 Ų104.851%0.51352%0.518SS..Hα-helixtrans-63.5-43.5173.7-68.6167.9000111.1L13 K14 L19 L20 A21L13-I17 HydrophobicContact CD1-CD1 4.39Å; L13-I17 HydrophobicContact CG-CD1 4.05Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.19Å; L13-I17 PolarHBondContact O-N 2.84Å; K14-I17 PolarHBondContact O-N 2.02Å; I17-L19 VanDerWaalsContact C-N 3.35Å; I17-L20 PolarHBondContact O-N 3.2Å; I17-A21 VanDerWaalsContact O-CB 3.25Å; I17-A21 WeakPolarHBondContact O-CB 3.48Å; I17-A21 PolarHBondContact O-N 2.94Å
18F86.2Confident75Confident155 Ų155105.1 Ų105.168%0.6852%0.523SS*.Hα-helixtrans-64.7-38.4175-82.9-67.3000112.1K14 M15 A21 Y22K14-F18 WeakPolarHBondContact O-CD2 3.3Å; K14-F18 PolarHBondContact O-N 2.96Å; M15-F18 PolarHBondContact O-N 3.11Å; F18-A21 PolarHBondContact O-N 3.24Å; F18-Y22 WeakPolarHBondContact O-CB 3.06Å; F18-Y22 PolarHBondContact O-N 2.79Å
19L86.1Confident74.7Confident90 Ų90108.3 Ų108.347%0.47154%0.538SS..Hα-helixtrans-68-42.4176.3-157.381.8000111.2M15 F16 I17 Y22 L23M15-L19 WeakPolarHBondContact O-CB 3.38Å; M15-L19 PolarHBondContact O-N 2.86Å; F16-L19 PolarHBondContact O-N 2.97Å; I17-L19 VanDerWaalsContact C-N 3.35Å; L19-Y22 PolarHBondContact O-N 3.41Å; L19-L23 HydrophobicContact CD2-CD1 4.47Å; L19-L23 HydrophobicContact CG-CD1 4.28Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 2.75Å
20L83.9Confident74.3Confident80 Ų80110.5 Ų110.542%0.41955%0.548SS..Hα-helixtrans-63.5-44.1172.8-98.7135.8000111.6F16 I17 Y22 L23 L24F16-L20 HydrophobicContact CD1-CD1 3.32Å; F16-L20 HydrophobicContact CE1-CD1 3.42Å; F16-L20 VanDerWaalsContact CE1-CD1 3.42Å; F16-L20 HydrophobicContact CG-CD1 4.35Å; F16-L20 WeakPolarHBondContact O-CB 3.46Å; F16-L20 WeakPolarHBondContact O-CD1 3.49Å; F16-L20 PolarHBondContact O-N 3.4Å; I17-L20 PolarHBondContact O-N 3.2Å; L20-Y22 VanDerWaalsContact C-N 3.31Å; L20-Y22 PolarHBondContact O-N 2.97Å; L20-L23 PolarHBondContact O-N 2.81Å; L20-L24 HydrophobicContact CD2-CD1 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.06Å; L20-L24 WeakPolarHBondContact O-CD1 3.46Å; L20-L24 WeakPolarHBondContact O-CG 3.33Å; L20-L24 PolarHBondContact O-N 2.99Å
21A82.2Confident73.6Confident49 Ų49111.2 Ų111.241%0.40556%0.555SS.*Hα-helixtrans-64.2-36.9175.400000111.5I17 F18 S25I17-A21 VanDerWaalsContact O-CB 3.25Å; I17-A21 WeakPolarHBondContact O-CB 3.48Å; I17-A21 PolarHBondContact O-N 2.94Å; F18-A21 PolarHBondContact O-N 3.24Å; A21-S25 WeakPolarHBondContact O-CB 3.48Å; A21-S25 PolarHBondContact O-N 3.42Å; A21-S25 PolarHBondContact O-OG 2.88Å
22Y83.8Confident73.2Confident124 Ų124107.7 Ų107.749%0.48656%0.555SS.*Hα-helixtrans-69.2-40.3174.8-178.7-104000112.5F18 L19 L20 S25 R26F18-Y22 WeakPolarHBondContact O-CB 3.06Å; F18-Y22 PolarHBondContact O-N 2.79Å; L19-Y22 PolarHBondContact O-N 3.41Å; L20-Y22 VanDerWaalsContact C-N 3.31Å; L20-Y22 PolarHBondContact O-N 2.97Å; Y22-S25 VanDerWaalsContact CA-OG 3.25Å; Y22-S25 WeakPolarHBondContact CA-OG 3.49Å; Y22-S25 PolarHBondContact O-OG 2.78Å; Y22-R26 WeakPolarHBondContact O-CB 3.26Å; Y22-R26 WeakPolarHBondContact O-CG 3.48Å; Y22-R26 PolarHBondContact O-N 2.8Å; Y22-R26 PolarHBondContact OH-NE 3.12Å; Y22-R26 PolarHBondContact OH-NH2 2.71Å
23L77.7Confident73.4Confident96 Ų96107.8 Ų107.850%0.50356%0.562SS.*Hα-helixtrans-70.2-43.2175.7-71.3167.5000111.3L19 L20 R26 V27L19-L23 HydrophobicContact CD2-CD1 4.47Å; L19-L23 HydrophobicContact CG-CD1 4.28Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 2.75Å; L20-L23 PolarHBondContact O-N 2.81Å; L23-R26 PolarHBondContact O-N 2.93Å; L23-V27 VanDerWaalsContact O-CG2 3.27Å; L23-V27 WeakPolarHBondContact O-CG2 3.45Å; L23-V27 PolarHBondContact O-N 2.97Å
24L71.3Confident73.8Confident92 Ų92103 Ų10348%0.48254%0.538SS..Hα-helixtrans-65.1-41.1174.8-71.8166.7000111.2L20 R26 V27 I28L20-L24 HydrophobicContact CD2-CD1 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.06Å; L20-L24 WeakPolarHBondContact O-CD1 3.46Å; L20-L24 WeakPolarHBondContact O-CG 3.33Å; L20-L24 PolarHBondContact O-N 2.99Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 2.78Å; L24-V27 CarbonylContact O-C 3.57Å; L24-V27 PolarHBondContact O-N 2.04Å; L24-I28 HydrophobicContact CB-CD1 4.48Å; L24-I28 WeakPolarHBondContact O-CB 2.87Å; L24-I28 VanDerWaalsContact O-CD1 3.31Å; L24-I28 WeakPolarHBondContact O-CD1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.09Å; L24-I28 PolarHBondContact O-N 3.04Å
25S65.3Low74.2Confident54 Ų54106.9 Ų106.938%0.37855%0.549SS..Hα-helixtrans-66.9-32.717451.20000112.5A21 Y22 I28 C29A21-S25 WeakPolarHBondContact O-CB 3.48Å; A21-S25 PolarHBondContact O-N 3.42Å; A21-S25 PolarHBondContact O-OG 2.88Å; Y22-S25 VanDerWaalsContact CA-OG 3.25Å; Y22-S25 WeakPolarHBondContact CA-OG 3.49Å; Y22-S25 PolarHBondContact O-OG 2.78Å; S25-I28 PolarHBondContact O-N 2.87Å; S25-C29 WeakPolarHBondContact O-CB 3.38Å; S25-C29 PolarHBondContact O-N 3.17Å; S25-C29 PolarHBondContact O-SG 3.42Å
26R62.5Low74.5Confident163 Ų163107.5 Ų107.562%0.61555%0.551SS**Hα-helixtrans-67.3-36.1169.2-81.1-162.6165.3-129.9-3.9113.3Y22 L23 L24 I28Y22-R26 WeakPolarHBondContact O-CB 3.26Å; Y22-R26 WeakPolarHBondContact O-CG 3.48Å; Y22-R26 PolarHBondContact O-N 2.8Å; Y22-R26 PolarHBondContact OH-NE 3.12Å; Y22-R26 PolarHBondContact OH-NH2 2.71Å; L23-R26 PolarHBondContact O-N 2.93Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 2.78Å; R26-I28 VanDerWaalsContact C-N 3.33Å
27V58.7Low74.8Confident117 Ų117106 Ų10671%0.70955%0.546SS*.Hα-helixtrans-72-28.5175.5172.40000111.8L23 L24L23-V27 VanDerWaalsContact O-CG2 3.27Å; L23-V27 WeakPolarHBondContact O-CG2 3.45Å; L23-V27 PolarHBondContact O-N 2.97Å; L24-V27 CarbonylContact O-C 3.57Å; L24-V27 PolarHBondContact O-N 2.04Å
28I54.4Low75.1Confident123 Ų123103.2 Ų103.263%0.63153%0.531SS*.Hα-helixtrans-88.9-21.4178.8-61.7160.8000112.1L24 S25 R26L24-I28 HydrophobicContact CB-CD1 4.48Å; L24-I28 WeakPolarHBondContact O-CB 2.87Å; L24-I28 VanDerWaalsContact O-CD1 3.31Å; L24-I28 WeakPolarHBondContact O-CD1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.09Å; L24-I28 PolarHBondContact O-N 3.04Å; S25-I28 PolarHBondContact O-N 2.87Å; R26-I28 VanDerWaalsContact C-N 3.33Å
29C50.4Low75.4Confident103 Ų10396.8 Ų96.870%0.69650%0.502SS*.SBendtrans-99.413.9-174.8-790000116.5S25S25-C29 WeakPolarHBondContact O-CB 3.38Å; S25-C29 PolarHBondContact O-N 3.17Å; S25-C29 PolarHBondContact O-SG 3.42Å
30E51.6Low75.7Confident180 Ų18095.6 Ų95.684%0.84149%0.491SS*.SBendtrans-1098.2174.1-121.9179.9-164.800114.7
31T55.8Low76.1Confident80 Ų8093.2 Ų93.249%0.49148%0.479SS..  trans-114.372.1161.2490000108.3D33 R40T31-D33 PolarHBondContact O-N 3.17Å; T31-R40 VanDerWaalsContact CG2-NH1 3.34Å
32G66Low76.4Confident52 Ų5298.3 Ų98.354%0.53649%0.494SS..PPolyproline II helixtrans-50.4141159.500000108.8C34 R40G32-C34 PolarHBondContact O-N 2.85Å; G32-R40 PolarHBondContact O-NH2 3.5Å
33D83.6Confident76.7Confident156 Ų15696.9 Ų96.983%0.83450%0.499SS*.PPolyproline II helixtrans-59130.4173.6-81.2-26.6000108.8T31T31-D33 PolarHBondContact O-N 3.17Å
34C90.1Very high77.2Confident5 Ų593.7 Ų93.73%0.03449%0.489CS..PPolyproline II helixtrans-65.8149.5175.5-60.50000109.4G32 E38 C46G32-C34 PolarHBondContact O-N 2.85Å; C34-E38 HydrophobicContact CB-CB 3.93Å; C34-C46 WeakPolarHBondContact CA-SG 3.34Å; C34-C46 HydrophobicContact CB-CB 3.75Å; C34-C46 WeakPolarHBondContact CB-SG 3.21Å; C34-C46 VanDerWaalsContact SG-CA 3.55Å; C34-C46 WeakPolarHBondContact SG-CB 3.33Å; C34-C46 CovalentContact SG-SG 2.05Å; C34-C46 PolarHBondContact SG-SG 3.02Å
35R91.4Very high78.2Confident185 Ų18593.5 Ų93.570%0.69849%0.489SS*.PPolyproline II helixtrans-68.7169.9-179-60.7178.7178.7-176.3-0.4111.6Q37 E38 F64R35-Q37 PolarHBondContact O-N 2.83Å; R35-E38 HydrophobicContact CB-CB 4.4Å; R35-E38 HydrophobicContact CB-CG 4.12Å; R35-E38 WeakPolarHBondContact CB-OE2 3.22Å; R35-E38 WeakPolarHBondContact CD-OE1 3.43Å; R35-E38 WeakPolarHBondContact CG-OE2 3.46Å; R35-E38 PolarHBondContact N-OE2 2.97Å; R35-E38 PolarHBondContact O-N 3.07Å; R35-F64 PolarHBondContact O-N 3.18Å
36E91.5Very high79.5Confident129 Ų12993.4 Ų93.460%0.60349%0.487SS*.THydrogen-bonded Turntrans-54.4-28.3178.8177.8170.9-153.800113.9G63 F64E36-G63 WeakPolarHBondContact O-CA 3.07Å; E36-F64 HydrophobicContact CB-CE1 3.84Å; E36-F64 HydrophobicContact CB-CE2 3.88Å; E36-F64 HydrophobicContact CB-CZ 3.47Å; E36-F64 VanDerWaalsContact CB-CZ 3.47Å; E36-F64 HydrophobicContact CG-CE1 4.41Å; E36-F64 HydrophobicContact CG-CE2 3.6Å; E36-F64 HydrophobicContact CG-CZ 3.54Å
37Q92Very high80.9Confident94 Ų9488.3 Ų88.344%0.43947%0.474SS..THydrogen-bonded Turntrans-109.822.2179.8-62.3175.415.600112.3R35 L48 C49R35-Q37 PolarHBondContact O-N 2.83Å; Q37-L48 HydrophobicContact CB-CD1 4.33Å; Q37-L48 WeakPolarHBondContact O-CD1 3.25Å; Q37-C49 WeakPolarHBondContact O-CB 3.17Å; Q37-C49 PolarHBondContact O-N 2.96Å; Q37-C49 PolarHBondContact O-SG 3.24Å
38E93.1Very high82.6Confident41 Ų4187.5 Ų87.519%0.19247%0.465CS..EExtended strand (participates in β ladder)trans-126.3139.8179.9-66.6167.8-178.700110.6C34 R35 C46 V47 L48 G63 F64 G65C34-E38 HydrophobicContact CB-CB 3.93Å; R35-E38 HydrophobicContact CB-CB 4.4Å; R35-E38 HydrophobicContact CB-CG 4.12Å; R35-E38 WeakPolarHBondContact CB-OE2 3.22Å; R35-E38 WeakPolarHBondContact CD-OE1 3.43Å; R35-E38 WeakPolarHBondContact CG-OE2 3.46Å; R35-E38 PolarHBondContact N-OE2 2.97Å; R35-E38 PolarHBondContact O-N 3.07Å; E38-C46 HydrophobicContact CB-CB 4.22Å; E38-V47 CarbonylContact C-O 3.47Å; E38-V47 WeakPolarHBondContact CA-O 3.36Å; E38-L48 HydrophobicContact CG-CD1 4.45Å; E38-G63 CarbonylContact O-C 3.56Å; E38-G63 VanDerWaalsContact O-C 3.26Å; E38-G63 WeakPolarHBondContact O-CA 3.09Å; E38-F64 PolarHBondContact O-N 3.46Å; E38-F64 VanDerWaalsContact O-N 3.1Å; E38-G65 PolarHBondContact O-N 3.41Å
39F92.8Very high84.4Confident20 Ų2081.9 Ų81.99%0.08844%0.437CS..EExtended strand (participates in β ladder)trans-109.5159.7170.370.5-92.9000110D41 C46 V47 L48 F66 E68F39-D41 HydrophobicContact CE2-CB 4.24Å; F39-C46 CarbonylContact O-C 3.59Å; F39-C46 WeakPolarHBondContact O-CA 3.47Å; F39-V47 HydrophobicContact CD1-CB 4.45Å; F39-V47 WeakPolarHBondContact CD1-O 3.32Å; F39-V47 HydrophobicContact CE1-CB 3.94Å; F39-V47 HydrophobicContact CE1-CG1 3.84Å; F39-V47 HydrophobicContact CE2-CB 4.01Å; F39-V47 HydrophobicContact CE2-CG1 4.45Å; F39-V47 HydrophobicContact CZ-CB 3.7Å; F39-V47 HydrophobicContact CZ-CG1 3.69Å; F39-V47 PolarHBondContact N-O 2.84Å; F39-V47 PolarHBondContact O-N 3.22Å; F39-L48 WeakPolarHBondContact CE1-O 3.49Å; F39-F66 VanDerWaalsContact CB-C 3.5Å; F39-F66 WeakPolarHBondContact CB-O 3.33Å; F39-E68 HydrophobicContact CD2-CB 3.59Å; F39-E68 HydrophobicContact CD2-CG 4.17Å; F39-E68 VanDerWaalsContact CE2-CA 3.46Å; F39-E68 HydrophobicContact CE2-CB 3.72Å; F39-E68 HydrophobicContact CE2-CG 3.79Å
40R92.5Very high86.4Confident64 Ų6482 Ų8224%0.24243%0.425CS..EExtended strand (participates in β ladder)trans-92.2123176-165.3178.5-67.2-79.40.9108.8T31 G32 G44 N45 G65T31-R40 VanDerWaalsContact CG2-NH1 3.34Å; G32-R40 PolarHBondContact O-NH2 3.5Å; R40-G44 PolarHBondContact NH1-O 3.32Å; R40-N45 CarbonylContact C-O 3.58Å; R40-N45 WeakPolarHBondContact CA-O 3.33Å; R40-G65 WeakPolarHBondContact CB-O 3.34Å; R40-G65 PolarHBondContact N-O 3.05Å
41D91.4Very high88.4Confident30 Ų3077.8 Ų77.816%0.1641%0.406CS..  trans-75.9168.3174.772.113.5000111.6F39 T43 G44 N45 V47 E68F39-D41 HydrophobicContact CE2-CB 4.24Å; D41-T43 PolarHBondContact O-N 2.9Å; D41-T43 VanDerWaalsContact OD1-C 3.25Å; D41-T43 VanDerWaalsContact OD1-CA 3.26Å; D41-T43 WeakPolarHBondContact OD1-CA 3.39Å; D41-T43 VanDerWaalsContact OD1-CB 3.31Å; D41-T43 WeakPolarHBondContact OD1-CB 3.03Å; D41-T43 PolarHBondContact OD1-N 3.12Å; D41-G44 PolarHBondContact O-N 3.4Å; D41-G44 PolarHBondContact OD1-N 3.11Å; D41-N45 PolarHBondContact N-O 3.33Å; D41-N45 PolarHBondContact OD1-N 2.04Å; D41-N45 PolarHBondContact OD2-ND2 3.34Å; D41-V47 HydrophobicContact CB-CG2 4.05Å; D41-E68 WeakPolarHBondContact CA-OE1 3.17Å
42H89.6Confident90.3Very high157 Ų15774.1 Ų74.173%0.72738%0.383SS*.THydrogen-bonded Turntrans-57.3-17.5174.462.6-80.5000114.3E68H42-E68 IonicContact CG-OE1 3.64Å; H42-E68 PolarHBondContact N-OE1 3.06Å; H42-E68 PolarHBondContact N-OE2 3.16Å; H42-E68 IonicContact ND1-OE1 2.98Å; H42-E68 PolarHBondContact ND1-OE1 2.71Å
43T89.8Confident91.7Very high94 Ų9472 Ų7258%0.57736%0.362SS*.THydrogen-bonded Turntrans-90.2-6.7176.6-51.10000111.6D41D41-T43 PolarHBondContact O-N 2.9Å; D41-T43 VanDerWaalsContact OD1-C 3.25Å; D41-T43 VanDerWaalsContact OD1-CA 3.26Å; D41-T43 WeakPolarHBondContact OD1-CA 3.39Å; D41-T43 VanDerWaalsContact OD1-CB 3.31Å; D41-T43 WeakPolarHBondContact OD1-CB 3.03Å; D41-T43 PolarHBondContact OD1-N 3.12Å
44G87.3Confident92.4Very high29 Ų2967 Ų6730%0.29934%0.338SS..SBendtrans90.63.1-179.900000114.6R40 D41R40-G44 PolarHBondContact NH1-O 3.32Å; D41-G44 PolarHBondContact O-N 3.4Å; D41-G44 PolarHBondContact OD1-N 3.11Å
45N91.6Very high92.6Very high88 Ų8867 Ų6747%0.47134%0.338SS..  trans-84.4147.7179.9-52.6-62.8000111.7R40 D41R40-N45 CarbonylContact C-O 3.58Å; R40-N45 WeakPolarHBondContact CA-O 3.33Å; D41-N45 PolarHBondContact N-O 3.33Å; D41-N45 PolarHBondContact OD1-N 2.04Å; D41-N45 PolarHBondContact OD2-ND2 3.34Å
46C92.6Very high92.9Very high51 Ų5161.1 Ų61.135%0.34532%0.319SS..EExtended strand (participates in β ladder)trans-82.9117.8171.5-60.20000110.1C34 E38 F39C34-C46 WeakPolarHBondContact CA-SG 3.34Å; C34-C46 HydrophobicContact CB-CB 3.75Å; C34-C46 WeakPolarHBondContact CB-SG 3.21Å; C34-C46 VanDerWaalsContact SG-CA 3.55Å; C34-C46 WeakPolarHBondContact SG-CB 3.33Å; C34-C46 CovalentContact SG-SG 2.05Å; C34-C46 PolarHBondContact SG-SG 3.02Å; E38-C46 HydrophobicContact CB-CB 4.22Å; F39-C46 CarbonylContact O-C 3.59Å; F39-C46 WeakPolarHBondContact O-CA 3.47Å
47V93.2Very high93.1Very high56 Ų5656.1 Ų56.134%0.33930%0.296SS..EExtended strand (participates in β ladder)trans-117.5142.2-177-179.70000109.5E38 F39 D41E38-V47 CarbonylContact C-O 3.47Å; E38-V47 WeakPolarHBondContact CA-O 3.36Å; F39-V47 HydrophobicContact CD1-CB 4.45Å; F39-V47 WeakPolarHBondContact CD1-O 3.32Å; F39-V47 HydrophobicContact CE1-CB 3.94Å; F39-V47 HydrophobicContact CE1-CG1 3.84Å; F39-V47 HydrophobicContact CE2-CB 4.01Å; F39-V47 HydrophobicContact CE2-CG1 4.45Å; F39-V47 HydrophobicContact CZ-CB 3.7Å; F39-V47 HydrophobicContact CZ-CG1 3.69Å; F39-V47 PolarHBondContact N-O 2.84Å; F39-V47 PolarHBondContact O-N 3.22Å; D41-V47 HydrophobicContact CB-CG2 4.05Å
48L93.8Very high93.2Very high100 Ų10052.8 Ų52.852%0.52428%0.281SS..EExtended strand (participates in β ladder)trans-65.4136.9-179.1-163.276.8000111.6Q37 E38 F39Q37-L48 HydrophobicContact CB-CD1 4.33Å; Q37-L48 WeakPolarHBondContact O-CD1 3.25Å; E38-L48 HydrophobicContact CG-CD1 4.45Å; F39-L48 WeakPolarHBondContact CE1-O 3.49Å
49C92.8Very high93.2Very high6 Ų652.9 Ų52.94%0.04129%0.286CS..PPolyproline II helixtrans-57.8149.8173-68.80000112.3Q37 C62 F86Q37-C49 WeakPolarHBondContact O-CB 3.17Å; Q37-C49 PolarHBondContact O-N 2.96Å; Q37-C49 PolarHBondContact O-SG 3.24Å; C49-C62 WeakPolarHBondContact CA-SG 3.15Å; C49-C62 HydrophobicContact CB-CB 3.76Å; C49-C62 WeakPolarHBondContact CB-SG 3.09Å; C49-C62 WeakPolarHBondContact SG-CB 3.44Å; C49-C62 PolarHBondContact SG-O 3.46Å; C49-C62 CovalentContact SG-SG 2.02Å; C49-C62 PolarHBondContact SG-SG 2.81Å; C49-F86 HydrophobicContact CB-CD1 3.94Å; C49-F86 HydrophobicContact CB-CE1 3.68Å; C49-F86 WeakPolarHBondContact O-CE1 2.99Å
50K92.2Very high93.1Very high104 Ų10456.8 Ų56.845%0.45230%0.303SS..PPolyproline II helixtrans-75.7140.8173.4-63.3175.1-168.9156.90109.9L58 A70K50-L58 HydrophobicContact CB-CD2 4.17Å; K50-A70 PolarHBondContact NZ-O 2.83Å
51Q93.6Very high93.1Very high93 Ų9359 Ų5944%0.43532%0.317SS..PPolyproline II helixtrans-98.1130.9170.3-66.5-179.540.900109.4F86Q51-F86 HydrophobicContact CB-CE1 4.46Å; Q51-F86 HydrophobicContact CG-CD1 3.71Å; Q51-F86 HydrophobicContact CG-CD2 4.09Å; Q51-F86 HydrophobicContact CG-CE1 3.27Å; Q51-F86 HydrophobicContact CG-CE2 3.68Å; Q51-F86 HydrophobicContact CG-CG 4.12Å; Q51-F86 HydrophobicContact CG-CZ 3.27Å; Q51-F86 VanDerWaalsContact NE2-CZ 3.28Å
52C95.3Very high93.1Very high2 Ų258.2 Ų58.21%0.01431%0.313CS..BIsolated β-bridgetrans-93.5151176.5-59.60000110.6M56 L58 C72 K81 W84 G85C52-M56 HydrophobicContact CB-CB 3.88Å; C52-M56 WeakPolarHBondContact CB-O 3.47Å; C52-L58 VanDerWaalsContact SG-CD2 3.58Å; C52-C72 WeakPolarHBondContact CA-SG 2.96Å; C52-C72 HydrophobicContact CB-CB 3.86Å; C52-C72 WeakPolarHBondContact CB-SG 3.36Å; C52-C72 WeakPolarHBondContact SG-CA 3.4Å; C52-C72 WeakPolarHBondContact SG-CB 3.1Å; C52-C72 CovalentContact SG-SG 2.04Å; C52-C72 PolarHBondContact SG-SG 2.93Å; C52-K81 PolarHBondContact O-NZ 3.25Å; C52-W84 WeakPolarHBondContact O-CA 3.42Å; C52-G85 PolarHBondContact N-O 3.27Å; C52-G85 VanDerWaalsContact N-O 3.16Å; C52-G85 PolarHBondContact O-N 2.88Å
53G96.2Very high93.3Very high8 Ų851.1 Ų51.18%0.08228%0.282CS..  trans-79.6-171.4177.900000114M56 K81G53-M56 PolarHBondContact O-N 3.18Å; G53-K81 PolarHBondContact O-NZ 2.87Å
54P96.9Very high93.4Very high52 Ų5252.8 Ų52.834%0.33828%0.282SS..THydrogen-bonded Turntrans-58.4139.9173.9-21.132.6000110.9M56 K81 E82 T109P54-M56 PolarHBondContact O-N 2Å; P54-K81 CarbonylContact C-O 3.54Å; P54-K81 VanDerWaalsContact CA-O 3.25Å; P54-K81 WeakPolarHBondContact CA-O 3.46Å; P54-E82 WeakPolarHBondContact CB-O 3.41Å; P54-E82 VanDerWaalsContact CG-O 3.25Å; P54-E82 WeakPolarHBondContact CG-O 3.38Å; P54-T109 HydrophobicContact CB-CG2 4.11Å
55G96.1Very high93.6Very high4 Ų452.3 Ų52.34%0.04128%0.277CS..THydrogen-bonded Turntrans70.98.1-178.100000116T74 C75 K81 A108G55-T74 CarbonylContact O-C 3.47Å; G55-T74 WeakPolarHBondContact O-CA 3.26Å; G55-C75 PolarHBondContact O-N 2.91Å; G55-C75 PolarHBondContact O-SG 3.43Å; G55-K81 PolarHBondContact N-O 2.04Å; G55-A108 WeakPolarHBondContact CA-O 3.37Å
56M96.6Very high93.6Very high61 Ų6155.6 Ų55.630%0.329%0.287SS..EExtended strand (participates in β ladder)trans-130.6138.8-176.8-54-70.2-94.800111.7C52 G53 P54 C72 M73 T74 K81C52-M56 HydrophobicContact CB-CB 3.88Å; C52-M56 WeakPolarHBondContact CB-O 3.47Å; G53-M56 PolarHBondContact O-N 3.18Å; P54-M56 PolarHBondContact O-N 2Å; M56-C72 HydrophobicContact CB-CB 4.35Å; M56-C72 HydrophobicContact CE-CB 4.47Å; M56-C72 WeakPolarHBondContact CE-O 3.48Å; M56-M73 CarbonylContact C-O 3.57Å; M56-M73 WeakPolarHBondContact CA-O 3.43Å; M56-T74 HydrophobicContact CE-CG2 4.36Å; M56-T74 VanDerWaalsContact SD-CA 3.5Å; M56-T74 HydrophobicContact SD-CG2 3.55Å; M56-T74 VanDerWaalsContact SD-CG2 3.55Å; M56-K81 WeakPolarHBondContact O-CD 3.48Å; M56-K81 PolarHBondContact O-NZ 3.28Å
57E95.4Very high93.5Very high24 Ų2453.8 Ų53.811%0.11228%0.277CS..EExtended strand (participates in β ladder)trans-126.6160171.959.4-175.7-176.900111.3C72 M73 C89E57-C72 CarbonylContact O-C 3.58Å; E57-C72 WeakPolarHBondContact O-CA 3.14Å; E57-M73 PolarHBondContact N-O 2.84Å; E57-M73 PolarHBondContact O-N 3.37Å; E57-C89 VanDerWaalsContact CB-SG 3.53Å; E57-C89 VanDerWaalsContact OE2-CB 3.28Å; E57-C89 WeakPolarHBondContact OE2-CB 3.26Å; E57-C89 PolarHBondContact OE2-N 2.85Å; E57-C89 PolarHBondContact OE2-SG 3.23Å
58L94.4Very high93.4Very high24 Ų2455 Ų5513%0.12628%0.279CS..EExtended strand (participates in β ladder)trans-69.4140.2174.9-69.5167.3000110.6K50 C52 K60 C62 A70 E71K50-L58 HydrophobicContact CB-CD2 4.17Å; C52-L58 VanDerWaalsContact SG-CD2 3.58Å; L58-K60 WeakPolarHBondContact CB-O 3.37Å; L58-K60 PolarHBondContact O-N 2.75Å; L58-C62 HydrophobicContact CD1-CB 3.85Å; L58-A70 HydrophobicContact CB-CB 4.5Å; L58-A70 HydrophobicContact CD2-CB 3.98Å; L58-E71 CarbonylContact C-O 3.48Å; L58-E71 WeakPolarHBondContact CA-O 3.07Å
59S93.8Very high93.3Very high43 Ų4354.7 Ų54.730%0.30128%0.278SS..SBendtrans-60.7-28.9176.6610000113.3E71 M73S59-E71 PolarHBondContact N-O 3.49Å; S59-E71 PolarHBondContact OG-N 3.13Å; S59-M73 VanDerWaalsContact CA-CE 3.48Å
60K91.2Very high93.3Very high102 Ų10254.6 Ų54.644%0.44328%0.277SS..SBendtrans-138.8154.8177.4-59.4-179.2-172.5175.10109L58 D69L58-K60 WeakPolarHBondContact CB-O 3.37Å; L58-K60 PolarHBondContact O-N 2.75Å; K60-D69 IonicContact NZ-OD1 3.1Å; K60-D69 PolarHBondContact NZ-OD1 3.38Å; K60-D69 VanDerWaalsContact NZ-OD1 3.1Å; K60-D69 IonicContact NZ-OD2 2.58Å; K60-D69 PolarHBondContact NZ-OD2 2.03Å
61E91Very high93.4Very high112 Ų11255.7 Ų55.752%0.52328%0.284SS..  trans-61.2138.7171.1-169.767.8-100.800109.8K88E61-K88 WeakPolarHBondContact OE2-CE 2.86Å; E61-K88 IonicContact OE2-NZ 2.61Å; E61-K88 PolarHBondContact OE2-NZ 2.84Å
62C92.6Very high93.4Very high13 Ų1353.7 Ų53.79%0.08828%0.28CS..  trans-121128.3177.5-175.40000110C49 L58 F66C49-C62 WeakPolarHBondContact CA-SG 3.15Å; C49-C62 HydrophobicContact CB-CB 3.76Å; C49-C62 WeakPolarHBondContact CB-SG 3.09Å; C49-C62 WeakPolarHBondContact SG-CB 3.44Å; C49-C62 PolarHBondContact SG-O 3.46Å; C49-C62 CovalentContact SG-SG 2.02Å; C49-C62 PolarHBondContact SG-SG 2.81Å; L58-C62 HydrophobicContact CD1-CB 3.85Å; C62-F66 CarbonylContact C-O 3.56Å; C62-F66 VanDerWaalsContact CA-O 3.32Å; C62-F66 WeakPolarHBondContact CA-O 3.38Å
63G93.1Very high93.5Very high7 Ų757.7 Ų57.77%0.07230%0.299CS..BIsolated β-bridgetrans153161.3-17900000113.4E36 E38 G65 F66E36-G63 WeakPolarHBondContact O-CA 3.07Å; E38-G63 CarbonylContact O-C 3.56Å; E38-G63 VanDerWaalsContact O-C 3.26Å; E38-G63 WeakPolarHBondContact O-CA 3.09Å; G63-G65 PolarHBondContact O-N 3.35Å; G63-G65 VanDerWaalsContact O-N 3.07Å; G63-F66 PolarHBondContact N-O 2.84Å; G63-F66 PolarHBondContact O-N 2.79Å
64F92.6Very high93.5Very high130 Ų13062.1 Ų62.157%0.5733%0.325SS*.THydrogen-bonded Turntrans51.933.4176.5-55-80.9000113.8R35 E36 E38 F66R35-F64 PolarHBondContact O-N 3.18Å; E36-F64 HydrophobicContact CB-CE1 3.84Å; E36-F64 HydrophobicContact CB-CE2 3.88Å; E36-F64 HydrophobicContact CB-CZ 3.47Å; E36-F64 VanDerWaalsContact CB-CZ 3.47Å; E36-F64 HydrophobicContact CG-CE1 4.41Å; E36-F64 HydrophobicContact CG-CE2 3.6Å; E36-F64 HydrophobicContact CG-CZ 3.54Å; E38-F64 PolarHBondContact O-N 3.46Å; E38-F64 VanDerWaalsContact O-N 3.1Å; F64-F66 WeakPolarHBondContact O-CD2 3.44Å
65G91.9Very high93.4Very high19 Ų1960.2 Ų60.220%0.19631%0.312CS..BIsolated β-bridgetrans93.2-3.4-179.900000114.9E38 R40 G63E38-G65 PolarHBondContact O-N 3.41Å; R40-G65 WeakPolarHBondContact CB-O 3.34Å; R40-G65 PolarHBondContact N-O 3.05Å; G63-G65 PolarHBondContact O-N 3.35Å; G63-G65 VanDerWaalsContact O-N 3.07Å
66F90.9Very high93.4Very high156 Ų15668.7 Ų68.768%0.68434%0.343SS*.BIsolated β-bridgetrans-107.3148.8179.3-58.5-84.6000111.8F39 C62 G63 F64F39-F66 VanDerWaalsContact CB-C 3.5Å; F39-F66 WeakPolarHBondContact CB-O 3.33Å; C62-F66 CarbonylContact C-O 3.56Å; C62-F66 VanDerWaalsContact CA-O 3.32Å; C62-F66 WeakPolarHBondContact CA-O 3.38Å; G63-F66 PolarHBondContact N-O 2.84Å; G63-F66 PolarHBondContact O-N 2.79Å; F64-F66 WeakPolarHBondContact O-CD2 3.44Å
67G91Very high93.2Very high13 Ų1371 Ų7113%0.13437%0.365CS..  trans111.923.2172.900000116.8D69 A70G67-D69 VanDerWaalsContact C-N 3.33Å; G67-D69 PolarHBondContact O-N 2.84Å; G67-A70 WeakPolarHBondContact O-CB 3.08Å; G67-A70 PolarHBondContact O-N 3.45Å; G67-A70 VanDerWaalsContact O-N 3.17Å
68E90.7Very high93.2Very high82 Ų8276 Ų7638%0.38339%0.393SS..THydrogen-bonded Turntrans-56.3-43.2178.9178.4174.6-153.600113.6F39 D41 H42 A70F39-E68 HydrophobicContact CD2-CB 3.59Å; F39-E68 HydrophobicContact CD2-CG 4.17Å; F39-E68 VanDerWaalsContact CE2-CA 3.46Å; F39-E68 HydrophobicContact CE2-CB 3.72Å; F39-E68 HydrophobicContact CE2-CG 3.79Å; D41-E68 WeakPolarHBondContact CA-OE1 3.17Å; H42-E68 IonicContact CG-OE1 3.64Å; H42-E68 PolarHBondContact N-OE1 3.06Å; H42-E68 PolarHBondContact N-OE2 3.16Å; H42-E68 IonicContact ND1-OE1 2.98Å; H42-E68 PolarHBondContact ND1-OE1 2.71Å; E68-A70 VanDerWaalsContact C-N 3.29Å; E68-A70 PolarHBondContact O-N 3.43Å
69D90.6Very high93.3Very high94 Ų9479.9 Ų79.950%0.50341%0.406SS..THydrogen-bonded Turntrans-93.919.9-17968.8-23000113K60 G67 E71K60-D69 IonicContact NZ-OD1 3.1Å; K60-D69 PolarHBondContact NZ-OD1 3.38Å; K60-D69 VanDerWaalsContact NZ-OD1 3.1Å; K60-D69 IonicContact NZ-OD2 2.58Å; K60-D69 PolarHBondContact NZ-OD2 2.03Å; G67-D69 VanDerWaalsContact C-N 3.33Å; G67-D69 PolarHBondContact O-N 2.84Å; D69-E71 PolarHBondContact O-N 3.4Å
70A92.6Very high93.4Very high3 Ų378.8 Ų78.83%0.02540%0.396CS..  trans-71.5130.9176.600000110.9K50 L58 G67 E68K50-A70 PolarHBondContact NZ-O 2.83Å; L58-A70 HydrophobicContact CB-CB 4.5Å; L58-A70 HydrophobicContact CD2-CB 3.98Å; G67-A70 WeakPolarHBondContact O-CB 3.08Å; G67-A70 PolarHBondContact O-N 3.45Å; G67-A70 VanDerWaalsContact O-N 3.17Å; E68-A70 VanDerWaalsContact C-N 3.29Å; E68-A70 PolarHBondContact O-N 3.43Å
71E94.1Very high93.7Very high128 Ų12874.6 Ų74.660%0.59838%0.378SS*.  trans-124.5149.8179.2-66.1-173.1171.700110.1L58 S59 D69 M73L58-E71 CarbonylContact C-O 3.48Å; L58-E71 WeakPolarHBondContact CA-O 3.07Å; S59-E71 PolarHBondContact N-O 3.49Å; S59-E71 PolarHBondContact OG-N 3.13Å; D69-E71 PolarHBondContact O-N 3.4Å; E71-M73 PolarHBondContact O-N 2.95Å
72C95.5Very high93.9Very high50 Ų5074 Ų7434%0.33838%0.375SS..EExtended strand (participates in β ladder)trans-79.1115.4175.5-670000110.1C52 M56 E57C52-C72 WeakPolarHBondContact CA-SG 2.96Å; C52-C72 HydrophobicContact CB-CB 3.86Å; C52-C72 WeakPolarHBondContact CB-SG 3.36Å; C52-C72 WeakPolarHBondContact SG-CA 3.4Å; C52-C72 WeakPolarHBondContact SG-CB 3.1Å; C52-C72 CovalentContact SG-SG 2.04Å; C52-C72 PolarHBondContact SG-SG 2.93Å; M56-C72 HydrophobicContact CB-CB 4.35Å; M56-C72 HydrophobicContact CE-CB 4.47Å; M56-C72 WeakPolarHBondContact CE-O 3.48Å; E57-C72 CarbonylContact O-C 3.58Å; E57-C72 WeakPolarHBondContact O-CA 3.14Å
73M95.6Very high94Very high87 Ų8779.1 Ų79.143%0.42940%0.401SS..EExtended strand (participates in β ladder)trans-111.5154.4176.3-56.1-167.7-51.900110.4M56 E57 S59 E71M56-M73 CarbonylContact C-O 3.57Å; M56-M73 WeakPolarHBondContact CA-O 3.43Å; E57-M73 PolarHBondContact N-O 2.84Å; E57-M73 PolarHBondContact O-N 3.37Å; S59-M73 VanDerWaalsContact CA-CE 3.48Å; E71-M73 PolarHBondContact O-N 2.95Å
74T96.2Very high94.1Very high100 Ų10087.5 Ų87.561%0.61343%0.431SS*.EExtended strand (participates in β ladder)trans-61.8140.8175.952.50000111.3G55 M56 R76G55-T74 CarbonylContact O-C 3.47Å; G55-T74 WeakPolarHBondContact O-CA 3.26Å; M56-T74 HydrophobicContact CE-CG2 4.36Å; M56-T74 VanDerWaalsContact SD-CA 3.5Å; M56-T74 HydrophobicContact SD-CG2 3.55Å; M56-T74 VanDerWaalsContact SD-CG2 3.55Å; T74-R76 PolarHBondContact O-N 2.83Å
75C96.3Very high94Very high12 Ų1281.8 Ų81.88%0.08141%0.409CS..PPolyproline II helixtrans-51.6137.6171.8-62.70000110.3G55 R79 C89 A108G55-C75 PolarHBondContact O-N 2.91Å; G55-C75 PolarHBondContact O-SG 3.43Å; C75-R79 HydrophobicContact CB-CB 4.33Å; C75-C89 VanDerWaalsContact CA-SG 3.51Å; C75-C89 HydrophobicContact CB-CB 3.74Å; C75-C89 WeakPolarHBondContact CB-SG 3.45Å; C75-C89 WeakPolarHBondContact SG-CB 3.28Å; C75-C89 CovalentContact SG-SG 2.03Å; C75-C89 PolarHBondContact SG-SG 3.44Å; C75-A108 HydrophobicContact CB-CB 4.16Å
76R94.6Very high93.9Very high183 Ų18383.2 Ų83.269%0.69141%0.41SS*.PPolyproline II helixtrans-63.1162.8172.1-61.6-175.6-178.1-174.70.2111T74 N78 R79T74-R76 PolarHBondContact O-N 2.83Å; R76-N78 PolarHBondContact O-N 2.99Å; R76-R79 PolarHBondContact O-N 3.49Å; R76-R79 VanDerWaalsContact O-N 3.13Å
77S94.2Very high93.8Very high109 Ų10982.6 Ų82.676%0.76241%0.409SS*.THydrogen-bonded Turntrans-50.5140.8172.853.80000111.5R79S77-R79 VanDerWaalsContact C-N 3.25Å; S77-R79 PolarHBondContact O-N 2.79Å
78N93.6Very high93.9Very high130 Ų13087.1 Ų87.170%0.69543%0.425SS*.THydrogen-bonded Turntrans62.925.1-176.8-55-22.3000114.7R76 C92R76-N78 PolarHBondContact O-N 2.99Å; N78-C92 VanDerWaalsContact CA-SG 3.57Å; N78-C92 PolarHBondContact O-N 3.5Å; N78-C92 PolarHBondContact O-SG 3.33Å
79R96.6Very high94.1Very high105 Ų10583.3 Ų83.340%0.39641%0.407SS..EExtended strand (participates in β ladder)trans-131.6151.9169-63.4-177.8171.3-114.60.1111.8C75 R76 S77 C89 K90 C92C75-R79 HydrophobicContact CB-CB 4.33Å; R76-R79 PolarHBondContact O-N 3.49Å; R76-R79 VanDerWaalsContact O-N 3.13Å; S77-R79 VanDerWaalsContact C-N 3.25Å; S77-R79 PolarHBondContact O-N 2.79Å; R79-C89 HydrophobicContact CB-CB 3.74Å; R79-C89 PolarHBondContact NH1-O 2.88Å; R79-K90 CarbonylContact C-O 3.26Å; R79-K90 WeakPolarHBondContact CA-O 3.25Å; R79-K90 WeakPolarHBondContact CB-O 3.47Å; R79-C92 PolarHBondContact N-SG 3.4Å; R79-C92 VanDerWaalsContact N-SG 3.43Å
80F96.5Very high94.4Very high19 Ų1984.9 Ų84.98%0.08341%0.41CS..EExtended strand (participates in β ladder)trans-140.5158.4-17980.2-79.4000113.2E82 C89 K90 P91 S107 A108 N111F80-E82 HydrophobicContact CD2-CG 4.07Å; F80-E82 HydrophobicContact CE2-CG 4.19Å; F80-E82 WeakPolarHBondContact CE2-OE1 3.44Å; F80-C89 CarbonylContact O-C 3.06Å; F80-C89 WeakPolarHBondContact O-CA 3.03Å; F80-K90 HydrophobicContact CD1-CB 4.38Å; F80-K90 WeakPolarHBondContact CD1-O 3.44Å; F80-K90 HydrophobicContact CE1-CB 3.93Å; F80-K90 HydrophobicContact CZ-CB 4.26Å; F80-K90 PolarHBondContact N-O 3.37Å; F80-K90 PolarHBondContact O-N 3.41Å; F80-P91 WeakPolarHBondContact CE1-O 3.3Å; F80-S107 WeakPolarHBondContact CB-O 3.39Å; F80-A108 CarbonylContact C-O 3.6Å; F80-A108 WeakPolarHBondContact CA-O 3.45Å; F80-N111 HydrophobicContact CD1-CB 4.05Å; F80-N111 HydrophobicContact CD2-CB 3.98Å; F80-N111 VanDerWaalsContact CD2-N 3.25Å; F80-N111 HydrophobicContact CE1-CB 3.66Å; F80-N111 WeakPolarHBondContact CE1-OD1 3.33Å; F80-N111 HydrophobicContact CE2-CB 3.58Å; F80-N111 HydrophobicContact CG-CB 4.2Å; F80-N111 HydrophobicContact CZ-CB 3.41Å; F80-N111 VanDerWaalsContact CZ-CB 3.41Å; F80-N111 VanDerWaalsContact CZ-CG 3.44Å
81K96.8Very high94.6Very high15 Ų1589.1 Ų89.17%0.06544%0.437CS..  trans-150.7121.2169.7179.7161.3165.2-66.80109.9C52 G53 P54 G55 M56 D83 Q87 A108C52-K81 PolarHBondContact O-NZ 3.25Å; G53-K81 PolarHBondContact O-NZ 2.87Å; P54-K81 CarbonylContact C-O 3.54Å; P54-K81 VanDerWaalsContact CA-O 3.25Å; P54-K81 WeakPolarHBondContact CA-O 3.46Å; G55-K81 PolarHBondContact N-O 2.04Å; M56-K81 WeakPolarHBondContact O-CD 3.48Å; M56-K81 PolarHBondContact O-NZ 3.28Å; K81-D83 WeakPolarHBondContact CE-O 3.46Å; K81-D83 WeakPolarHBondContact CG-O 2.97Å; K81-D83 PolarHBondContact NZ-O 3.26Å; K81-Q87 VanDerWaalsContact CD-O 3.26Å; K81-Q87 WeakPolarHBondContact CD-O 3.5Å; K81-Q87 WeakPolarHBondContact CE-O 3.19Å; K81-A108 PolarHBondContact N-O 2.88Å
82E95.4Very high94.7Very high99 Ų9984.4 Ų84.446%0.46342%0.418SS..  trans-89.4-35.5-175.1-77162.9-161.500112.6P54 F80 T109 N111P54-E82 WeakPolarHBondContact CB-O 3.41Å; P54-E82 VanDerWaalsContact CG-O 3.25Å; P54-E82 WeakPolarHBondContact CG-O 3.38Å; F80-E82 HydrophobicContact CD2-CG 4.07Å; F80-E82 HydrophobicContact CE2-CG 4.19Å; F80-E82 WeakPolarHBondContact CE2-OE1 3.44Å; E82-T109 WeakPolarHBondContact CA-O 3.32Å; E82-T109 WeakPolarHBondContact CG-O 2.95Å; E82-N111 PolarHBondContact OE1-N 2.77Å; E82-N111 VanDerWaalsContact OE1-N 3.11Å
83D94.5Very high94.6Very high120 Ų12085 Ų8564%0.64242%0.417SS*.SBendtrans-107.8164.5-171.3-59.6-55000113.2K81K81-D83 WeakPolarHBondContact CE-O 3.46Å; K81-D83 WeakPolarHBondContact CG-O 2.97Å; K81-D83 PolarHBondContact NZ-O 3.26Å
84W95.1Very high94.4Very high183 Ų18384.6 Ų84.669%0.69342%0.417SS*.  trans-71142.5165.6-75.182000111.1C52C52-W84 WeakPolarHBondContact O-CA 3.42Å
85G91.6Very high94.3Very high11 Ų1180 Ų8011%0.11339%0.388CS..BIsolated β-bridgetrans156.8-172.3172.300000114.4C52C52-G85 PolarHBondContact N-O 3.27Å; C52-G85 VanDerWaalsContact N-O 3.16Å; C52-G85 PolarHBondContact O-N 2.88Å
86F89.4Confident94Very high49 Ų4982.1 Ų82.122%0.21541%0.407CS..SBendtrans-87.2-12-179.8-53-76.9000113.7C49 Q51C49-F86 HydrophobicContact CB-CD1 3.94Å; C49-F86 HydrophobicContact CB-CE1 3.68Å; C49-F86 WeakPolarHBondContact O-CE1 2.99Å; Q51-F86 HydrophobicContact CB-CE1 4.46Å; Q51-F86 HydrophobicContact CG-CD1 3.71Å; Q51-F86 HydrophobicContact CG-CD2 4.09Å; Q51-F86 HydrophobicContact CG-CE1 3.27Å; Q51-F86 HydrophobicContact CG-CE2 3.68Å; Q51-F86 HydrophobicContact CG-CG 4.12Å; Q51-F86 HydrophobicContact CG-CZ 3.27Å; Q51-F86 VanDerWaalsContact NE2-CZ 3.28Å
87Q89.6Confident93.8Very high142 Ų14280.2 Ų80.266%0.66441%0.41SS*.PPolyproline II helixtrans-65.8141.6-176.9-58.7-62.1-31.300110.6K81K81-Q87 VanDerWaalsContact CD-O 3.26Å; K81-Q87 WeakPolarHBondContact CD-O 3.5Å; K81-Q87 WeakPolarHBondContact CE-O 3.19Å
88K92.3Very high93.6Very high109 Ų10976.7 Ų76.747%0.47438%0.384SS..PPolyproline II helixtrans-69.1161.6173-64.2-179.7-178.5166.60111.4E61 K90E61-K88 WeakPolarHBondContact OE2-CE 2.86Å; E61-K88 IonicContact OE2-NZ 2.61Å; E61-K88 PolarHBondContact OE2-NZ 2.84Å; K88-K90 PolarHBondContact O-N 3.29Å
89C96Very high93.5Very high2 Ų272.6 Ų72.61%0.01436%0.362CS..PPolyproline II helixtrans-64.4130.5173.7-57.40000110E57 C75 R79 F80E57-C89 VanDerWaalsContact CB-SG 3.53Å; E57-C89 VanDerWaalsContact OE2-CB 3.28Å; E57-C89 WeakPolarHBondContact OE2-CB 3.26Å; E57-C89 PolarHBondContact OE2-N 2.85Å; E57-C89 PolarHBondContact OE2-SG 3.23Å; C75-C89 VanDerWaalsContact CA-SG 3.51Å; C75-C89 HydrophobicContact CB-CB 3.74Å; C75-C89 WeakPolarHBondContact CB-SG 3.45Å; C75-C89 WeakPolarHBondContact SG-CB 3.28Å; C75-C89 CovalentContact SG-SG 2.03Å; C75-C89 PolarHBondContact SG-SG 3.44Å; R79-C89 HydrophobicContact CB-CB 3.74Å; R79-C89 PolarHBondContact NH1-O 2.88Å; F80-C89 CarbonylContact O-C 3.06Å; F80-C89 WeakPolarHBondContact O-CA 3.03Å
90K96.4Very high93.2Very high127 Ų12768 Ų6855%0.55235%0.345SS*.EExtended strand (participates in β ladder)trans-82.7148.4-179-65.1176.9-175.5172.70109.9R79 F80 K88R79-K90 CarbonylContact C-O 3.26Å; R79-K90 WeakPolarHBondContact CA-O 3.25Å; R79-K90 WeakPolarHBondContact CB-O 3.47Å; F80-K90 HydrophobicContact CD1-CB 4.38Å; F80-K90 WeakPolarHBondContact CD1-O 3.44Å; F80-K90 HydrophobicContact CE1-CB 3.93Å; F80-K90 HydrophobicContact CZ-CB 4.26Å; F80-K90 PolarHBondContact N-O 3.37Å; F80-K90 PolarHBondContact O-N 3.41Å; K88-K90 PolarHBondContact O-N 3.29Å
91P96.1Very high93Very high92 Ų9272.1 Ų72.160%0.59736%0.363SS*.EExtended strand (participates in β ladder)trans-61.9140.1172.827.7-33.9000110.3F80F80-P91 WeakPolarHBondContact CE1-O 3.3Å
92C95.8Very high92.8Very high28 Ų2876.2 Ų76.219%0.18938%0.382CS..PPolyproline II helixtrans-63.1144172.9-64.30000111N78 R79 C106N78-C92 VanDerWaalsContact CA-SG 3.57Å; N78-C92 PolarHBondContact O-N 3.5Å; N78-C92 PolarHBondContact O-SG 3.33Å; R79-C92 PolarHBondContact N-SG 3.4Å; R79-C92 VanDerWaalsContact N-SG 3.43Å; C92-C106 HydrophobicContact CB-CB 3.49Å; C92-C106 VanDerWaalsContact CB-CB 3.49Å; C92-C106 WeakPolarHBondContact CB-SG 3.08Å; C92-C106 WeakPolarHBondContact SG-CB 3.27Å; C92-C106 CovalentContact SG-SG 2Å; C92-C106 PolarHBondContact SG-SG 3.49Å
93L93.3Very high92.7Very high63 Ų6377.9 Ų77.933%0.3339%0.388SS..PPolyproline II helixtrans-67.3132.2168.6179.262.6000109.6N111 A112 C114L93-N111 WeakPolarHBondContact CB-OD1 3.24Å; L93-N111 PolarHBondContact N-OD1 3.49Å; L93-A112 WeakPolarHBondContact O-CB 3.29Å; L93-C114 WeakPolarHBondContact CD2-SG 3.43Å
94D93.3Very high92.7Very high79 Ų7973.9 Ų73.942%0.42237%0.371SS..  trans-98.4113.7168.6-174.9-10000109.3A96 L97D94-A96 VanDerWaalsContact C-N 3.26Å; D94-A96 PolarHBondContact O-N 2.98Å; D94-A96 WeakPolarHBondContact OD1-CB 3.21Å; D94-A96 PolarHBondContact OD1-N 3.07Å; D94-L97 HydrophobicContact CB-CB 4.38Å; D94-L97 HydrophobicContact CB-CD1 3.88Å; D94-L97 HydrophobicContact CB-CG 3.88Å; D94-L97 PolarHBondContact O-N 2.97Å
95C92.5Very high92.6Very high2 Ų270.9 Ų70.91%0.01437%0.369CS..THydrogen-bonded Turntrans-67.9-26.7-179.1-59.30000112.8L97 V98 N99 R100 Q102 C114C95-L97 VanDerWaalsContact C-N 3.33Å; C95-V98 WeakPolarHBondContact O-CG2 3.46Å; C95-V98 PolarHBondContact O-N 2.88Å; C95-N99 PolarHBondContact O-N 3.39Å; C95-R100 CarbonylContact C-O 3.57Å; C95-R100 HydrophobicContact CB-CB 4.37Å; C95-R100 WeakPolarHBondContact CB-O 3.15Å; C95-R100 PolarHBondContact O-N 3.05Å; C95-Q102 HydrophobicContact CB-CB 4.19Å; C95-C114 WeakPolarHBondContact CA-SG 3.5Å; C95-C114 HydrophobicContact CB-CB 3.82Å; C95-C114 WeakPolarHBondContact CB-SG 3.31Å; C95-C114 WeakPolarHBondContact SG-CA 3.32Å; C95-C114 WeakPolarHBondContact SG-CB 3.37Å; C95-C114 CovalentContact SG-SG 2.04Å; C95-C114 PolarHBondContact SG-SG 2.78Å
96A90.3Very high92.8Very high58 Ų5872 Ų7248%0.47938%0.375SS..G310 helixtrans-67.2-37177.800000111.2D94 V98 N99D94-A96 VanDerWaalsContact C-N 3.26Å; D94-A96 PolarHBondContact O-N 2.98Å; D94-A96 WeakPolarHBondContact OD1-CB 3.21Å; D94-A96 PolarHBondContact OD1-N 3.07Å; A96-V98 PolarHBondContact O-N 3.46Å; A96-N99 PolarHBondContact O-N 3.03Å
97L90.7Very high93.1Very high142 Ų14271.8 Ų71.874%0.74338%0.379SS*.G310 helixtrans-63.8-24178-66.1-178000113.5D94 C95D94-L97 HydrophobicContact CB-CB 4.38Å; D94-L97 HydrophobicContact CB-CD1 3.88Å; D94-L97 HydrophobicContact CB-CG 3.88Å; D94-L97 PolarHBondContact O-N 2.97Å; C95-L97 VanDerWaalsContact C-N 3.33Å
98V90.1Very high93.4Very high35 Ų3567 Ų6721%0.21236%0.364CS..G310 helixtrans-104.717175.9-64.30000112.7C95 A96 R100 C135C95-V98 WeakPolarHBondContact O-CG2 3.46Å; C95-V98 PolarHBondContact O-N 2.88Å; A96-V98 PolarHBondContact O-N 3.46Å; V98-R100 HydrophobicContact CG2-CB 4.26Å; V98-R100 HydrophobicContact CG2-CG 4.22Å; V98-R100 PolarHBondContact O-N 3.17Å; V98-C135 WeakPolarHBondContact O-CB 3.26Å
99N91Very high93.6Very high44 Ų4465.3 Ų65.324%0.23536%0.363CS..THydrogen-bonded Turntrans51.948.4-179.1-53-61.4000113.3C95 A96 C117 L118 F121 C135C95-N99 PolarHBondContact O-N 3.39Å; A96-N99 PolarHBondContact O-N 3.03Å; N99-C117 CarbonylContact O-C 3.48Å; N99-C117 WeakPolarHBondContact O-CA 3.32Å; N99-L118 HydrophobicContact CB-CD1 4.46Å; N99-L118 PolarHBondContact O-N 3.34Å; N99-F121 HydrophobicContact CB-CB 4.23Å; N99-F121 HydrophobicContact CB-CD1 3.55Å; N99-F121 HydrophobicContact CB-CD2 3.92Å; N99-F121 HydrophobicContact CB-CE1 3.81Å; N99-F121 HydrophobicContact CB-CE2 4.15Å; N99-F121 HydrophobicContact CB-CG 3.63Å; N99-F121 HydrophobicContact CB-CZ 4.1Å; N99-F121 VanDerWaalsContact CG-CD1 3.49Å; N99-F121 WeakPolarHBondContact ND2-CD1 3.33Å; N99-F121 WeakPolarHBondContact ND2-CE1 3.35Å; N99-F121 WeakPolarHBondContact OD1-CE1 3.36Å; N99-F121 WeakPolarHBondContact OD1-CZ 3.39Å; N99-C135 HydrophobicContact CB-CB 4Å; N99-C135 PolarHBondContact ND2-O 3.48Å
100R91.5Very high93.5Very high10 Ų1067.3 Ų67.34%0.03838%0.377CS..EExtended strand (participates in β ladder)trans-127.6155.5178.6-71.2177.9179.9-98.2-4113.2C95 V98 C114 G115 D116 D132 M133 C135C95-R100 CarbonylContact C-O 3.57Å; C95-R100 HydrophobicContact CB-CB 4.37Å; C95-R100 WeakPolarHBondContact CB-O 3.15Å; C95-R100 PolarHBondContact O-N 3.05Å; V98-R100 HydrophobicContact CG2-CB 4.26Å; V98-R100 HydrophobicContact CG2-CG 4.22Å; V98-R100 PolarHBondContact O-N 3.17Å; R100-C114 HydrophobicContact CB-CB 4.03Å; R100-G115 WeakPolarHBondContact CD-O 3.26Å; R100-G115 PolarHBondContact NH1-O 3.01Å; R100-D116 WeakPolarHBondContact CA-O 3.31Å; R100-D132 PolarHBondContact NH2-O 2.02Å; R100-M133 PolarHBondContact NE-O 2.93Å; R100-M133 PolarHBondContact NH2-O 2.97Å; R100-M133 VanDerWaalsContact NH2-O 3.12Å; R100-C135 WeakPolarHBondContact CG-SG 3.03Å
101F90.9Very high93.5Very high105 Ų10563.2 Ų63.246%0.46136%0.36SS..EExtended strand (participates in β ladder)trans-70.2136.8168.9-71.1-75.3000111.6K103 G115 D116 L118 P119F101-K103 PolarHBondContact O-N 2.84Å; F101-G115 PolarHBondContact O-N 2.92Å; F101-D116 PolarHBondContact N-O 2.98Å; F101-L118 HydrophobicContact CD1-CD2 3.66Å; F101-L118 HydrophobicContact CD2-CD2 3.98Å; F101-L118 HydrophobicContact CE1-CD2 3.59Å; F101-L118 HydrophobicContact CE2-CD2 3.91Å; F101-L118 HydrophobicContact CG-CD2 3.87Å; F101-L118 HydrophobicContact CZ-CD2 3.73Å; F101-P119 HydrophobicContact CZ-CG 4.28Å
102Q93.4Very high93.4Very high100 Ų10059 Ų5947%0.46733%0.333SS..EExtended strand (participates in β ladder)trans-78.3114.8170.9-172.2168.531.600109.6C95 A104 N105C95-Q102 HydrophobicContact CB-CB 4.19Å; Q102-A104 WeakPolarHBondContact CG-O 3.15Å; Q102-N105 PolarHBondContact OE1-OD1 2.81Å
103K93.9Very high93.3Very high135 Ų13562.9 Ų62.959%0.58735%0.352SS*.EExtended strand (participates in β ladder)trans-87-33.5176.3-76.5-177.3172.8164.30112F101 L113 G115 D116F101-K103 PolarHBondContact O-N 2.84Å; K103-L113 PolarHBondContact N-O 3.29Å; K103-G115 VanDerWaalsContact CD-CA 3.42Å; K103-D116 IonicContact NZ-OD2 3.17Å; K103-D116 PolarHBondContact NZ-OD2 3.18Å
104A93.4Very high93.3Very high35 Ų3561.1 Ų61.129%0.28934%0.344SS..EExtended strand (participates in β ladder)trans-141142.1173.700000110.9Q102 A112 L113Q102-A104 WeakPolarHBondContact CG-O 3.15Å; A104-A112 WeakPolarHBondContact O-CA 3.39Å; A104-L113 HydrophobicContact CB-CB 3.86Å; A104-L113 HydrophobicContact CB-CD1 3.94Å; A104-L113 HydrophobicContact CB-CG 4.01Å; A104-L113 PolarHBondContact N-O 2.97Å; A104-L113 PolarHBondContact O-N 2.89Å; A104-L113 VanDerWaalsContact O-N 3.12Å
105N94.2Very high93.1Very high121 Ų12157.5 Ų57.565%0.64733%0.326SS*.  trans-71.4150.3175.7-66.2-17.8000110.3Q102Q102-N105 PolarHBondContact OE1-OD1 2.81Å
106C95.1Very high92.9Very high35 Ų3562.1 Ų62.124%0.23635%0.351CS..  trans-68.3144.5171.4-1630000110.6C92 S110 A112C92-C106 HydrophobicContact CB-CB 3.49Å; C92-C106 VanDerWaalsContact CB-CB 3.49Å; C92-C106 WeakPolarHBondContact CB-SG 3.08Å; C92-C106 WeakPolarHBondContact SG-CB 3.27Å; C92-C106 CovalentContact SG-SG 2Å; C92-C106 PolarHBondContact SG-SG 3.49Å; C106-S110 PolarHBondContact SG-O 2.94Å; C106-S110 VanDerWaalsContact SG-O 3.33Å; C106-A112 HydrophobicContact CB-CB 4.09Å
107S95.4Very high92.9Very high44 Ų4460.4 Ų60.431%0.30834%0.335SS..BIsolated β-bridgetrans-127170.5173.177.70000109.8F80 T109 S110F80-S107 WeakPolarHBondContact CB-O 3.39Å; S107-T109 PolarHBondContact O-N 2.61Å; S107-T109 PolarHBondContact OG-N 2.89Å; S107-T109 PolarHBondContact OG-OG1 3.48Å; S107-S110 PolarHBondContact N-O 2.95Å; S107-S110 PolarHBondContact O-N 3.45Å; S107-S110 PolarHBondContact OG-N 3.1Å; S107-S110 PolarHBondContact OG-OG 2.97Å
108A96.1Very high92.8Very high41 Ų4155.8 Ų55.834%0.33931%0.311SS..THydrogen-bonded Turntrans-57.7-31.6173.400000111.7G55 C75 F80 K81G55-A108 WeakPolarHBondContact CA-O 3.37Å; C75-A108 HydrophobicContact CB-CB 4.16Å; F80-A108 CarbonylContact C-O 3.6Å; F80-A108 WeakPolarHBondContact CA-O 3.45Å; K81-A108 PolarHBondContact N-O 2.88Å
109T96.2Very high92.6Very high74 Ų7458.6 Ų58.645%0.45433%0.33SS..THydrogen-bonded Turntrans-98.2-9-173.952.20000114.4P54 E82 S107P54-T109 HydrophobicContact CB-CG2 4.11Å; E82-T109 WeakPolarHBondContact CA-O 3.32Å; E82-T109 WeakPolarHBondContact CG-O 2.95Å; S107-T109 PolarHBondContact O-N 2.61Å; S107-T109 PolarHBondContact OG-N 2.89Å; S107-T109 PolarHBondContact OG-OG1 3.48Å
110S94.9Very high92.1Very high44 Ų4458.1 Ų58.131%0.30834%0.335SS..BIsolated β-bridgetrans-152.1145.3-173.668.10000112.5C106 S107C106-S110 PolarHBondContact SG-O 2.94Å; C106-S110 VanDerWaalsContact SG-O 3.33Å; S107-S110 PolarHBondContact N-O 2.95Å; S107-S110 PolarHBondContact O-N 3.45Å; S107-S110 PolarHBondContact OG-N 3.1Å; S107-S110 PolarHBondContact OG-OG 2.97Å
111N95.8Very high91.9Very high40 Ų4060 Ų6021%0.21434%0.344CS..  trans-65.8164174.6-154.4-0.2000112.6F80 E82 L93F80-N111 HydrophobicContact CD1-CB 4.05Å; F80-N111 HydrophobicContact CD2-CB 3.98Å; F80-N111 VanDerWaalsContact CD2-N 3.25Å; F80-N111 HydrophobicContact CE1-CB 3.66Å; F80-N111 WeakPolarHBondContact CE1-OD1 3.33Å; F80-N111 HydrophobicContact CE2-CB 3.58Å; F80-N111 HydrophobicContact CG-CB 4.2Å; F80-N111 HydrophobicContact CZ-CB 3.41Å; F80-N111 VanDerWaalsContact CZ-CB 3.41Å; F80-N111 VanDerWaalsContact CZ-CG 3.44Å; E82-N111 PolarHBondContact OE1-N 2.77Å; E82-N111 VanDerWaalsContact OE1-N 3.11Å; L93-N111 WeakPolarHBondContact CB-OD1 3.24Å; L93-N111 PolarHBondContact N-OD1 3.49Å
112A94.3Very high91.4Very high3 Ų356.9 Ų56.93%0.02533%0.329CS..  trans-65.2143.8164.400000110.7L93 A104 C106L93-A112 WeakPolarHBondContact O-CB 3.29Å; A104-A112 WeakPolarHBondContact O-CA 3.39Å; C106-A112 HydrophobicContact CB-CB 4.09Å
113L93.3Very high90.8Very high111 Ų11155.6 Ų55.658%0.58132%0.32SS*.EExtended strand (participates in β ladder)trans-104.6120.2175.6-61.6177.2000109.8K103 A104K103-L113 PolarHBondContact N-O 3.29Å; A104-L113 HydrophobicContact CB-CB 3.86Å; A104-L113 HydrophobicContact CB-CD1 3.94Å; A104-L113 HydrophobicContact CB-CG 4.01Å; A104-L113 PolarHBondContact N-O 2.97Å; A104-L113 PolarHBondContact O-N 2.89Å; A104-L113 VanDerWaalsContact O-N 3.12Å
114C93Very high89.9Confident25 Ų2555.2 Ų55.217%0.16932%0.318CS..EExtended strand (participates in β ladder)trans-96.1136.1177.9-53.10000111.5L93 C95 R100 M133L93-C114 WeakPolarHBondContact CD2-SG 3.43Å; C95-C114 WeakPolarHBondContact CA-SG 3.5Å; C95-C114 HydrophobicContact CB-CB 3.82Å; C95-C114 WeakPolarHBondContact CB-SG 3.31Å; C95-C114 WeakPolarHBondContact SG-CA 3.32Å; C95-C114 WeakPolarHBondContact SG-CB 3.37Å; C95-C114 CovalentContact SG-SG 2.04Å; C95-C114 PolarHBondContact SG-SG 2.78Å; R100-C114 HydrophobicContact CB-CB 4.03Å; C114-M133 HydrophobicContact CB-CE 4.34Å
115G90.2Very high88.8Confident4 Ų458.2 Ų58.24%0.04133%0.333CS..EExtended strand (participates in β ladder)trans-96.3-138.8-179.200000113.6R100 F101 K103R100-G115 WeakPolarHBondContact CD-O 3.26Å; R100-G115 PolarHBondContact NH1-O 3.01Å; F101-G115 PolarHBondContact O-N 2.92Å; K103-G115 VanDerWaalsContact CD-CA 3.42Å
116D88.1Confident87.6Confident99 Ų9957.4 Ų57.453%0.52932%0.324SS..EExtended strand (participates in β ladder)trans-74.2161-176.6-54.5-64.7000111.2R100 F101 K103R100-D116 WeakPolarHBondContact CA-O 3.31Å; F101-D116 PolarHBondContact N-O 2.98Å; K103-D116 IonicContact NZ-OD2 3.17Å; K103-D116 PolarHBondContact NZ-OD2 3.18Å
117C89.2Confident86.1Confident21 Ų2164.6 Ų64.614%0.14236%0.359CS..EExtended strand (participates in β ladder)trans-62.6146.3178.7-61.80000110.8N99 F121 C135N99-C117 CarbonylContact O-C 3.48Å; N99-C117 WeakPolarHBondContact O-CA 3.32Å; C117-F121 HydrophobicContact CB-CB 4.17Å; C117-F121 WeakPolarHBondContact CB-O 3.06Å; C117-C135 WeakPolarHBondContact CA-SG 3.47Å; C117-C135 HydrophobicContact CB-CB 3.75Å; C117-C135 WeakPolarHBondContact CB-SG 3.36Å; C117-C135 WeakPolarHBondContact SG-CB 3.32Å; C117-C135 CovalentContact SG-SG 2.04Å; C117-C135 PolarHBondContact SG-SG 3.34Å
118L88.6Confident84.7Confident46 Ų4666.3 Ų66.324%0.24138%0.384CS..PPolyproline II helixtrans-63.3156.2172.2-67.5175.6000110.6N99 F101 G120 F121N99-L118 HydrophobicContact CB-CD1 4.46Å; N99-L118 PolarHBondContact O-N 3.34Å; F101-L118 HydrophobicContact CD1-CD2 3.66Å; F101-L118 HydrophobicContact CD2-CD2 3.98Å; F101-L118 HydrophobicContact CE1-CD2 3.59Å; F101-L118 HydrophobicContact CE2-CD2 3.91Å; F101-L118 HydrophobicContact CG-CD2 3.87Å; F101-L118 HydrophobicContact CZ-CD2 3.73Å; L118-G120 PolarHBondContact O-N 3.29Å; L118-F121 HydrophobicContact CB-CD2 4.07Å; L118-F121 WeakPolarHBondContact O-CB 3.32Å; L118-F121 PolarHBondContact O-N 2.8Å
119P86Confident83Confident94 Ų9467.2 Ų67.261%0.6140%0.396SS*.THydrogen-bonded Turntrans-54.5136175.2-24.834.8000111.8F101 F121F101-P119 HydrophobicContact CZ-CG 4.28Å; P119-F121 VanDerWaalsContact C-N 3.3Å
120G81.4Confident81.2Confident34 Ų3471 Ų7135%0.35141%0.407SS..THydrogen-bonded Turntrans83.33.1-175.400000114.5L118 C138L118-G120 PolarHBondContact O-N 3.29Å; G120-C138 WeakPolarHBondContact O-CB 3.47Å; G120-C138 PolarHBondContact O-N 3.47Å; G120-C138 PolarHBondContact O-SG 2.98Å
121F85.7Confident79.6Confident49 Ų4974 Ų7422%0.21542%0.416CS..EExtended strand (participates in β ladder)trans-123.3147.1171.1-59.9-98.8000110.6N99 C117 L118 P119 C135 V136 P137N99-F121 HydrophobicContact CB-CB 4.23Å; N99-F121 HydrophobicContact CB-CD1 3.55Å; N99-F121 HydrophobicContact CB-CD2 3.92Å; N99-F121 HydrophobicContact CB-CE1 3.81Å; N99-F121 HydrophobicContact CB-CE2 4.15Å; N99-F121 HydrophobicContact CB-CG 3.63Å; N99-F121 HydrophobicContact CB-CZ 4.1Å; N99-F121 VanDerWaalsContact CG-CD1 3.49Å; N99-F121 WeakPolarHBondContact ND2-CD1 3.33Å; N99-F121 WeakPolarHBondContact ND2-CE1 3.35Å; N99-F121 WeakPolarHBondContact OD1-CE1 3.36Å; N99-F121 WeakPolarHBondContact OD1-CZ 3.39Å; C117-F121 HydrophobicContact CB-CB 4.17Å; C117-F121 WeakPolarHBondContact CB-O 3.06Å; L118-F121 HydrophobicContact CB-CD2 4.07Å; L118-F121 WeakPolarHBondContact O-CB 3.32Å; L118-F121 PolarHBondContact O-N 2.8Å; P119-F121 VanDerWaalsContact C-N 3.3Å; F121-C135 HydrophobicContact CB-CB 3.9Å; F121-V136 CarbonylContact C-O 3.59Å; F121-V136 VanDerWaalsContact CA-O 3.26Å; F121-V136 WeakPolarHBondContact CA-O 3.43Å; F121-P137 HydrophobicContact CD1-CB 3.98Å; F121-P137 HydrophobicContact CE1-CB 3.77Å; F121-P137 HydrophobicContact CE1-CG 4.42Å
122Y81Confident78.3Confident39 Ų3973.8 Ų73.815%0.15342%0.415CS..EExtended strand (participates in β ladder)trans-128.8159178.774.7-81.7000111.6K124 C135 V136 E146Y122-K124 HydrophobicContact CE2-CB 4.49Å; Y122-C135 CarbonylContact O-C 3.51Å; Y122-C135 WeakPolarHBondContact O-CA 3.32Å; Y122-V136 HydrophobicContact CD1-CB 4.33Å; Y122-V136 WeakPolarHBondContact CD1-O 3.34Å; Y122-V136 HydrophobicContact CE1-CB 3.85Å; Y122-V136 HydrophobicContact CE1-CG1 3.88Å; Y122-V136 PolarHBondContact N-O 3.38Å; Y122-V136 PolarHBondContact O-N 3.44Å; Y122-E146 HydrophobicContact CD1-CG 4.47Å; Y122-E146 VanDerWaalsContact CD2-CD 3.44Å; Y122-E146 HydrophobicContact CD2-CG 3.74Å; Y122-E146 HydrophobicContact CG-CG 3.63Å
123R81.3Confident77.2Confident74 Ų7477.7 Ų77.728%0.27943%0.434SS..EExtended strand (participates in β ladder)trans-95.2117.1-177.2-168.9177.6-163.8-177.2-6.2110Q131 D132R123-Q131 PolarHBondContact NH2-O 2.82Å; R123-D132 PolarHBondContact NE-O 3.45Å; R123-D132 PolarHBondContact NH2-O 2.58Å
124K74.8Confident76.6Confident127 Ų12778.2 Ų78.255%0.55243%0.433SS*.EExtended strand (participates in β ladder)trans-82.4131.3173.1-163.3172.6-178.3177.90110.3Y122 D132 V136Y122-K124 HydrophobicContact CE2-CB 4.49Å; K124-D132 WeakPolarHBondContact O-CB 3.39Å; K124-D132 PolarHBondContact O-N 2.95Å; K124-V136 HydrophobicContact CB-CG2 4.24Å
125T70.8Confident76.4Confident97 Ų9777.1 Ų77.160%0.59543%0.426SS*.EExtended strand (participates in β ladder)trans-76.3129.4167.448.20000109.6
126K69.3Low76.2Confident104 Ų10479 Ų7945%0.45244%0.437SS..PPolyproline II helixtrans-68.1151.7171.3-64.6-164.3-179.8-1800110.1G128 G129 F130 D132K126-G128 PolarHBondContact O-N 2.86Å; K126-G129 PolarHBondContact O-N 2.9Å; K126-F130 WeakPolarHBondContact CB-O 3.38Å; K126-F130 PolarHBondContact N-O 2.05Å; K126-D132 WeakPolarHBondContact CE-OD1 3.39Å; K126-D132 WeakPolarHBondContact CE-OD2 3.1Å; K126-D132 HydrophobicContact CG-CB 4.18Å; K126-D132 IonicContact NZ-OD1 3.5Å; K126-D132 PolarHBondContact NZ-OD1 3.1Å; K126-D132 VanDerWaalsContact NZ-OD1 3.17Å; K126-D132 IonicContact NZ-OD2 2.96Å; K126-D132 PolarHBondContact NZ-OD2 3.33Å
127L61.9Low76.1Confident187 Ų18778.1 Ų78.198%0.97944%0.436SS*.THydrogen-bonded Turntrans-56.9105.9166.5-101.669.1000107.7
128G66.3Low75.8Confident80 Ų8078.7 Ų78.783%0.82544%0.44SS*.THydrogen-bonded Turntrans125.4-0.8-171.600000114.6K126 F130K126-G128 PolarHBondContact O-N 2.86Å; G128-F130 PolarHBondContact O-N 2.89Å
129G62.1Low75Confident59 Ų5978.4 Ų78.461%0.60845%0.448SS*.SBendtrans76.9-0.3174.300000114.4K126 Q131K126-G129 PolarHBondContact O-N 2.9Å; G129-Q131 PolarHBondContact O-N 2.78Å
130F57.9Low73.7Confident153 Ų15382 Ų8267%0.67146%0.462SS*.PPolyproline II helixtrans-73.5123.9170.4-161.1-97.8000109.2K126 G128 D132K126-F130 WeakPolarHBondContact CB-O 3.38Å; K126-F130 PolarHBondContact N-O 2.05Å; G128-F130 PolarHBondContact O-N 2.89Å; F130-D132 PolarHBondContact O-N 3.07Å
131Q61.6Low72.8Confident107 Ų10786.1 Ų86.150%0.548%0.482SS..EExtended strand (participates in β ladder)trans-80.3118.1-176-59.2-177.4-26.600109.5R123 G129R123-Q131 PolarHBondContact NH2-O 2.82Å; G129-Q131 PolarHBondContact O-N 2.78Å
132D66.9Low71.6Confident36 Ų3686.5 Ų86.519%0.19349%0.49CS..EExtended strand (participates in β ladder)trans-63.1145.5-178.3-149-8000111.1R100 R123 K124 K126 F130 E134R100-D132 PolarHBondContact NH2-O 2.02Å; R123-D132 PolarHBondContact NE-O 3.45Å; R123-D132 PolarHBondContact NH2-O 2.58Å; K124-D132 WeakPolarHBondContact O-CB 3.39Å; K124-D132 PolarHBondContact O-N 2.95Å; K126-D132 WeakPolarHBondContact CE-OD1 3.39Å; K126-D132 WeakPolarHBondContact CE-OD2 3.1Å; K126-D132 HydrophobicContact CG-CB 4.18Å; K126-D132 IonicContact NZ-OD1 3.5Å; K126-D132 PolarHBondContact NZ-OD1 3.1Å; K126-D132 VanDerWaalsContact NZ-OD1 3.17Å; K126-D132 IonicContact NZ-OD2 2.96Å; K126-D132 PolarHBondContact NZ-OD2 3.33Å; F130-D132 PolarHBondContact O-N 3.07Å; D132-E134 VanDerWaalsContact C-N 3.27Å
133M72.1Confident70.6Confident85 Ų8587 Ų8742%0.41950%0.498SS..EExtended strand (participates in β ladder)trans-79.1-18.2171.6-76.9-62.2-7000111R100 C114R100-M133 PolarHBondContact NE-O 2.93Å; R100-M133 PolarHBondContact NH2-O 2.97Å; R100-M133 VanDerWaalsContact NH2-O 3.12Å; C114-M133 HydrophobicContact CB-CE 4.34Å
134E81.3Confident69.6Low122 Ų12289.1 Ų89.157%0.5752%0.521SS*.EExtended strand (participates in β ladder)trans-78.3133175.4-165.8170.6-176.100111.5D132D132-E134 VanDerWaalsContact C-N 3.27Å
135C87.3Confident68.8Low2 Ų292.9 Ų92.91%0.01453%0.534CS..EExtended strand (participates in β ladder)trans-102.2126.5172.9-670000108.9V98 N99 R100 C117 F121 Y122V98-C135 WeakPolarHBondContact O-CB 3.26Å; N99-C135 HydrophobicContact CB-CB 4Å; N99-C135 PolarHBondContact ND2-O 3.48Å; R100-C135 WeakPolarHBondContact CG-SG 3.03Å; C117-C135 WeakPolarHBondContact CA-SG 3.47Å; C117-C135 HydrophobicContact CB-CB 3.75Å; C117-C135 WeakPolarHBondContact CB-SG 3.36Å; C117-C135 WeakPolarHBondContact SG-CB 3.32Å; C117-C135 CovalentContact SG-SG 2.04Å; C117-C135 PolarHBondContact SG-SG 3.34Å; F121-C135 HydrophobicContact CB-CB 3.9Å; Y122-C135 CarbonylContact O-C 3.51Å; Y122-C135 WeakPolarHBondContact O-CA 3.32Å
136V86.4Confident68.4Low45 Ų4590.6 Ų90.627%0.27352%0.516SS..EExtended strand (participates in β ladder)trans-94136.1-174.8-176.90000108.9F121 Y122 K124F121-V136 CarbonylContact C-O 3.59Å; F121-V136 VanDerWaalsContact CA-O 3.26Å; F121-V136 WeakPolarHBondContact CA-O 3.43Å; Y122-V136 HydrophobicContact CD1-CB 4.33Å; Y122-V136 WeakPolarHBondContact CD1-O 3.34Å; Y122-V136 HydrophobicContact CE1-CB 3.85Å; Y122-V136 HydrophobicContact CE1-CG1 3.88Å; Y122-V136 PolarHBondContact N-O 3.38Å; Y122-V136 PolarHBondContact O-N 3.44Å; K124-V136 HydrophobicContact CB-CG2 4.24Å
137P85.9Confident68Low79 Ų7990 Ų9051%0.51352%0.523SS..EExtended strand (participates in β ladder)trans-63.3142.2175.625.7-33.9000110.9F121F121-P137 HydrophobicContact CD1-CB 3.98Å; F121-P137 HydrophobicContact CE1-CB 3.77Å; F121-P137 HydrophobicContact CE1-CG 4.42Å
138C82.6Confident68Low34 Ų3486.2 Ų86.223%0.2350%0.5CS..PPolyproline II helixtrans-63.3133.6169.4-59.10000109.4G120 C149G120-C138 WeakPolarHBondContact O-CB 3.47Å; G120-C138 PolarHBondContact O-N 3.47Å; G120-C138 PolarHBondContact O-SG 2.98Å; C138-C149 HydrophobicContact CB-CB 3.73Å; C138-C149 WeakPolarHBondContact CB-SG 3.2Å; C138-C149 WeakPolarHBondContact SG-CA 3.39Å; C138-C149 WeakPolarHBondContact SG-CB 3.25Å; C138-C149 CovalentContact SG-SG 2.02Å; C138-C149 PolarHBondContact SG-SG 2.9Å
139G71.6Confident67.9Low39 Ų3983.2 Ų83.240%0.40247%0.466SS..PPolyproline II helixtrans-81.7165.8171.200000112.1P141 P142G139-P141 CarbonylContact O-C 3.45Å; G139-P142 VanDerWaalsContact O-CA 3.26Å; G139-P142 WeakPolarHBondContact O-CA 3.49Å
140D59.9Low67.9Low170 Ų17085.2 Ų85.291%0.90947%0.466SS*.SBendtrans-106.2111.3168.8-73.1-40.7000109.5
141P62.3Low67.9Low120 Ų12081.8 Ų81.878%0.77946%0.458SS*.SBendcis-79.7153.22.332.4-34.7000113.6G139G139-P141 CarbonylContact O-C 3.45Å
142P60.4Low67.4Low58 Ų5885.6 Ų85.638%0.37747%0.473SS..PPolyproline II helixtrans-64.9144.5-178.725.7-33.9000111G139 C149G139-P142 VanDerWaalsContact O-CA 3.26Å; G139-P142 WeakPolarHBondContact O-CA 3.49Å; P142-C149 HydrophobicContact CB-CB 3.65Å
143P60.3Low66.5Low50 Ų5088.3 Ų88.333%0.32549%0.491SS..PPolyproline II helixtrans-55.6130.8174.6-19.629.3000109.8Y145 E146P143-Y145 PolarHBondContact O-N 2.8Å; P143-E146 HydrophobicContact CB-CB 4.48Å; P143-E146 PolarHBondContact O-N 3.26Å
144P59.4Low65Low117 Ų11791.4 Ų91.476%0.7651%0.509SS*.THydrogen-bonded Turntrans-64.2-6.3-173.218.9-28.8000115
145Y58.3Low63.5Low207 Ų20792.5 Ų92.581%0.81252%0.518SS*.THydrogen-bonded Turntrans-114.110-174.9-58.3-73.3000114.1P143P143-Y145 PolarHBondContact O-N 2.8Å
146E62.9Low61.4Low48 Ų4898 Ų9822%0.22455%0.551CS.*  trans-114.2103-174.9-155.473.4-150.200112.2Y122 P143 H148 C149 T150Y122-E146 HydrophobicContact CD1-CG 4.47Å; Y122-E146 VanDerWaalsContact CD2-CD 3.44Å; Y122-E146 HydrophobicContact CD2-CG 3.74Å; Y122-E146 HydrophobicContact CG-CG 3.63Å; P143-E146 HydrophobicContact CB-CB 4.48Å; P143-E146 PolarHBondContact O-N 3.26Å; E146-H148 PolarHBondContact O-N 3.07Å; E146-C149 HydrophobicContact CB-CB 4.41Å; E146-C149 PolarHBondContact O-N 3.46Å; E146-C149 VanDerWaalsContact O-N 3.11Å; E146-T150 PolarHBondContact O-OG1 3.3Å
147P60.7Low59.2Low92 Ų92104.5 Ų104.560%0.59758%0.576SS**G310 helixtrans-62.6-29-173.624.2-33.1000112.8C149 T150P147-C149 VanDerWaalsContact C-N 3.29Å; P147-C149 PolarHBondContact O-N 3Å; P147-T150 WeakPolarHBondContact O-CB 3.11Å; P147-T150 PolarHBondContact O-N 3.47Å; P147-T150 VanDerWaalsContact O-N 3.15Å; P147-T150 PolarHBondContact O-OG1 3.41Å
148H61.3Low57.2Low107 Ų107107.1 Ų107.150%0.49558%0.584SS.*G310 helixtrans-68.8-24.4178.9-60.9-63.8000113.8E146 T150 T151E146-H148 PolarHBondContact O-N 3.07Å; H148-T150 VanDerWaalsContact C-N 3.34Å; H148-T151 PolarHBondContact O-OG1 3.37Å
149C65.6Low55.1Low17 Ų17110.3 Ų110.312%0.11561%0.605CS.*G310 helixtrans-89.3-2.5175.6-59.80000112.8C138 P142 E146 P147 T151C138-C149 HydrophobicContact CB-CB 3.73Å; C138-C149 WeakPolarHBondContact CB-SG 3.2Å; C138-C149 WeakPolarHBondContact SG-CA 3.39Å; C138-C149 WeakPolarHBondContact SG-CB 3.25Å; C138-C149 CovalentContact SG-SG 2.02Å; C138-C149 PolarHBondContact SG-SG 2.9Å; P142-C149 HydrophobicContact CB-CB 3.65Å; E146-C149 HydrophobicContact CB-CB 4.41Å; E146-C149 PolarHBondContact O-N 3.46Å; E146-C149 VanDerWaalsContact O-N 3.11Å; P147-C149 VanDerWaalsContact C-N 3.29Å; P147-C149 PolarHBondContact O-N 3Å; C149-T151 PolarHBondContact O-N 2.94Å
150T61.3Low53.5Low101 Ų101113.9 Ų113.962%0.6262%0.624SS**  trans-92.327.5-179.6-350000111.5E146 P147 H148 K152E146-T150 PolarHBondContact O-OG1 3.3Å; P147-T150 WeakPolarHBondContact O-CB 3.11Å; P147-T150 PolarHBondContact O-N 3.47Å; P147-T150 VanDerWaalsContact O-N 3.15Å; P147-T150 PolarHBondContact O-OG1 3.41Å; H148-T150 VanDerWaalsContact C-N 3.34Å; T150-K152 PolarHBondContact O-N 3.32Å
151T57Low52.6Low82 Ų82112 Ų11250%0.50362%0.618SS.*  trans-75.269.3177-53.90000109.1H148 C149 V153H148-T151 PolarHBondContact O-OG1 3.37Å; C149-T151 PolarHBondContact O-N 2.94Å; T151-V153 HydrophobicContact CG2-CG1 3.95Å; T151-V153 HydrophobicContact CG2-CG2 4.45Å; T151-V153 PolarHBondContact O-N 2.88Å
152K51.8Low51.7Low187 Ų187110.5 Ų110.581%0.81362%0.616SS**  trans-71.270.5157.5-148.4-176.6-167.5-178.30106.2T150 N154T150-K152 PolarHBondContact O-N 3.32Å; K152-N154 PolarHBondContact O-N 2.95Å
153V48.2Very low51.1Low92 Ų92112.1 Ų112.156%0.55863%0.629SS**  trans-54.3129.1149.6-81.80000104.5T151 L155T151-V153 HydrophobicContact CG2-CG1 3.95Å; T151-V153 HydrophobicContact CG2-CG2 4.45Å; T151-V153 PolarHBondContact O-N 2.88Å; V153-L155 HydrophobicContact CB-CD1 4.45Å; V153-L155 HydrophobicContact CG2-CD1 3.57Å; V153-L155 PolarHBondContact O-N 3.06Å
154N41Very low50.8Low150 Ų150112 Ų11280%0.80263%0.629SS**  trans-61.977.7167.5-79.3-75.4000106.9K152 V156K152-N154 PolarHBondContact O-N 2.95Å; N154-V156 PolarHBondContact O-N 3.47Å
155L48.4Very low50.7Low145 Ų145111.6 Ų111.676%0.75963%0.626SS**  trans-58.392.8147.4-100.875.3000102.6V153 K157V153-L155 HydrophobicContact CB-CD1 4.45Å; V153-L155 HydrophobicContact CG2-CD1 3.57Å; V153-L155 PolarHBondContact O-N 3.06Å; L155-K157 PolarHBondContact O-N 3.31Å
156V44.1Very low50.6Low118 Ų118110.8 Ų110.872%0.71562%0.622SS**  trans-45.2109.4151171.20000103.3N154 I158N154-V156 PolarHBondContact O-N 3.47Å; V156-I158 PolarHBondContact O-N 3.49Å
157K40.8Very low50.3Low182 Ų182113.1 Ų113.179%0.79164%0.636SS**  trans-61.886.2172.3-177.1175.2-175.2172.60104.5L155 P159L155-K157 PolarHBondContact O-N 3.31Å; K157-P159 VanDerWaalsContact O-CD 3.28Å; K157-P159 WeakPolarHBondContact O-CD 3.14Å
158I42.9Very low50.5Low134 Ų134113.1 Ų113.169%0.68763%0.634SS**  trans-53.4117156.9-54.8175.9000101.7V156 S160V156-I158 PolarHBondContact O-N 3.49Å; I158-S160 PolarHBondContact O-N 2.97Å
159P38.7Very low50.9Low101 Ų101110.6 Ų110.666%0.65663%0.632SS**  trans-53.4112178.3-18.328.9000104.9K157 T161K157-P159 VanDerWaalsContact O-CD 3.28Å; K157-P159 WeakPolarHBondContact O-CD 3.14Å; P159-T161 VanDerWaalsContact C-N 3.27Å; P159-T161 PolarHBondContact O-N 3.47Å
160S37.9Very low51.4Low114 Ų114114.6 Ų114.680%0.79765%0.651SS**  trans-53.2107171-600000104.4I158 A162I158-S160 PolarHBondContact O-N 2.97Å; S160-A162 PolarHBondContact O-N 3.28Å
161T40.7Very low52Low130 Ų130112.1 Ų112.180%0.79864%0.642SS**  trans-49114.7179.3-48.40000104.9P159 S163P159-T161 VanDerWaalsContact C-N 3.27Å; P159-T161 PolarHBondContact O-N 3.47Å; T161-S163 PolarHBondContact O-N 2.93Å
162A44Very low53Low89 Ų89111.1 Ų111.174%0.73664%0.641SS**  trans-47.1111.7175.200000106.2S160 S164S160-A162 PolarHBondContact O-N 3.28Å; A162-S164 PolarHBondContact O-N 3.42Å
163S48.5Very low54.7Low92 Ų92106.7 Ų106.764%0.64363%0.63SS**  trans-52.6116.1177.4540000106T161T161-S163 PolarHBondContact O-N 2.93Å
164S53.9Low56.6Low48 Ų48106.8 Ų106.834%0.33663%0.626SS.*  trans-58.5135.6179.5-169.90000107.5A162 R166 D167A162-S164 PolarHBondContact O-N 3.42Å; S164-R166 PolarHBondContact O-N 3.18Å; S164-D167 PolarHBondContact O-N 3.42Å
165P56.4Low58.7Low107 Ų107103.7 Ų103.770%0.69562%0.615SS**Hα-helixtrans-55.4-7.9178-26.934.3000115.1T168P165-T168 PolarHBondContact O-OG1 3.26Å
166R55.4Low60.5Low190 Ų19099.9 Ų99.972%0.71760%0.601SS**Hα-helixtrans-80.9-28.4178.9-60.8-171.1176.2124.8-0.1113S164 A169 L170S164-R166 PolarHBondContact O-N 3.18Å; R166-A169 PolarHBondContact O-N 3.28Å; R166-L170 WeakPolarHBondContact O-CB 3.27Å; R166-L170 PolarHBondContact O-N 3.33Å
167D57.1Low62.8Low98 Ų9896.6 Ų96.652%0.52459%0.586SS.*Hα-helixtrans-80.7-33.5-176.4-59.6-35.1000111.9S164 A171S164-D167 PolarHBondContact O-N 3.42Å; D167-A171 VanDerWaalsContact O-CB 3.25Å; D167-A171 WeakPolarHBondContact O-CB 3.21Å; D167-A171 PolarHBondContact O-N 2.78Å
168T64.7Low65.2Low92 Ų9292.9 Ų92.956%0.56457%0.574SS**Hα-helixtrans-69.4-35.7169.926.10000112.2P165 A172P165-T168 PolarHBondContact O-OG1 3.26Å; T168-A172 VanDerWaalsContact O-CB 3.27Å; T168-A172 WeakPolarHBondContact O-CB 3.19Å; T168-A172 PolarHBondContact O-N 2.93Å
169A70.6Confident67.5Low53 Ų5389.2 Ų89.244%0.43856%0.564SS.*Hα-helixtrans-67.1-44.6174.200000111.6R166 A172 V173R166-A169 PolarHBondContact O-N 3.28Å; A169-A172 PolarHBondContact O-N 3.18Å; A169-V173 VanDerWaalsContact O-CG2 3.24Å; A169-V173 WeakPolarHBondContact O-CG2 3.26Å; A169-V173 PolarHBondContact O-N 2.89Å
170L74.8Confident70Confident101 Ų10188.6 Ų88.653%0.52956%0.559SS.*Hα-helixtrans-64-44.3175.3-91.6152.3000112.2R166 A172 V173 I174R166-L170 WeakPolarHBondContact O-CB 3.27Å; R166-L170 PolarHBondContact O-N 3.33Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.36Å; L170-V173 PolarHBondContact O-N 2.93Å; L170-I174 VanDerWaalsContact O-CG1 3.26Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.45Å
171A75.6Confident72.7Confident50 Ų5087.1 Ų87.141%0.41354%0.544SS..Hα-helixtrans-61.7-41.4176.100000111.9D167 I174 C175D167-A171 VanDerWaalsContact O-CB 3.25Å; D167-A171 WeakPolarHBondContact O-CB 3.21Å; D167-A171 PolarHBondContact O-N 2.78Å; A171-I174 PolarHBondContact O-N 2.86Å; A171-C175 VanDerWaalsContact O-CB 3.3Å; A171-C175 WeakPolarHBondContact O-CB 3.49Å; A171-C175 PolarHBondContact O-N 3.01Å; A171-C175 PolarHBondContact O-SG 3.42Å; A171-C175 VanDerWaalsContact O-SG 3.33Å
172A78.2Confident75.2Confident60 Ų6086.2 Ų86.250%0.49653%0.534SS..Hα-helixtrans-64.9-38.7175.800000112.3T168 A169 L170 S176T168-A172 VanDerWaalsContact O-CB 3.27Å; T168-A172 WeakPolarHBondContact O-CB 3.19Å; T168-A172 PolarHBondContact O-N 2.93Å; A169-A172 PolarHBondContact O-N 3.18Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.36Å; A172-S176 WeakPolarHBondContact O-CB 3.34Å; A172-S176 PolarHBondContact O-N 2.85Å; A172-S176 PolarHBondContact O-OG 3.5Å
173V87Confident77.6Confident94 Ų9486.9 Ų86.957%0.5753%0.525SS*.Hα-helixtrans-67.2-42.1175.9172.30000111.2A169 L170 S176 A177A169-V173 VanDerWaalsContact O-CG2 3.24Å; A169-V173 WeakPolarHBondContact O-CG2 3.26Å; A169-V173 PolarHBondContact O-N 2.89Å; L170-V173 PolarHBondContact O-N 2.93Å; V173-S176 WeakPolarHBondContact CA-OG 3.31Å; V173-S176 PolarHBondContact O-OG 3.33Å; V173-A177 VanDerWaalsContact O-CB 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.46Å; V173-A177 PolarHBondContact O-N 2.96Å
174I87.3Confident79.8Confident95 Ų9585.1 Ų85.149%0.48752%0.516SS..Hα-helixtrans-67.4-45.1177.9-65.3163.8000110.5L170 A171 S176 A177 L178L170-I174 VanDerWaalsContact O-CG1 3.26Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.45Å; A171-I174 PolarHBondContact O-N 2.86Å; I174-S176 PolarHBondContact O-N 2.65Å; I174-A177 PolarHBondContact O-N 3.27Å; I174-L178 HydrophobicContact CG2-CD1 4.04Å; I174-L178 HydrophobicContact CG2-CG 4.41Å; I174-L178 VanDerWaalsContact O-CG 3.31Å; I174-L178 WeakPolarHBondContact O-CG 3.21Å; I174-L178 PolarHBondContact O-N 3.48Å
175C85.2Confident81.6Confident84 Ų8487.5 Ų87.557%0.56852%0.524SS*.Hα-helixtrans-63.6-39.6177.6-74.90000112.6A171 L178 A179A171-C175 VanDerWaalsContact O-CB 3.3Å; A171-C175 WeakPolarHBondContact O-CB 3.49Å; A171-C175 PolarHBondContact O-N 3.01Å; A171-C175 PolarHBondContact O-SG 3.42Å; A171-C175 VanDerWaalsContact O-SG 3.33Å; C175-L178 PolarHBondContact O-N 3Å; C175-A179 WeakPolarHBondContact O-CB 3.14Å; C175-A179 PolarHBondContact O-N 2.9Å
176S86.4Confident83.3Confident66 Ų6687.8 Ų87.846%0.46252%0.519SS..Hα-helixtrans-69-38.7175.154.70000112.1A172 V173 I174 A179 T180A172-S176 WeakPolarHBondContact O-CB 3.34Å; A172-S176 PolarHBondContact O-N 2.85Å; A172-S176 PolarHBondContact O-OG 3.5Å; V173-S176 WeakPolarHBondContact CA-OG 3.31Å; V173-S176 PolarHBondContact O-OG 3.33Å; I174-S176 PolarHBondContact O-N 2.65Å; S176-A179 PolarHBondContact O-N 3.25Å; S176-T180 WeakPolarHBondContact O-CG2 3.18Å; S176-T180 PolarHBondContact O-N 2.85Å; S176-T180 PolarHBondContact O-OG1 2.81Å
177A91.8Very high85.1Confident49 Ų4983 Ų8341%0.40551%0.507SS..Hα-helixtrans-61.3-46.4172.800000111.7V173 I174 A179 T180 V181V173-A177 VanDerWaalsContact O-CB 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.46Å; V173-A177 PolarHBondContact O-N 2.96Å; I174-A177 PolarHBondContact O-N 3.27Å; A177-A179 PolarHBondContact O-N 2.77Å; A177-T180 PolarHBondContact O-N 2.75Å; A177-T180 PolarHBondContact O-OG1 3.46Å; A177-V181 WeakPolarHBondContact O-CG2 3.36Å; A177-V181 PolarHBondContact O-N 2.77Å
178L91.8Very high86.8Confident104 Ų10483.9 Ų83.955%0.54551%0.511SS..Hα-helixtrans-63.9-41.5177.4-68.3174.7000112.2I174 C175 T180 V181 L182I174-L178 HydrophobicContact CG2-CD1 4.04Å; I174-L178 HydrophobicContact CG2-CG 4.41Å; I174-L178 VanDerWaalsContact O-CG 3.31Å; I174-L178 WeakPolarHBondContact O-CG 3.21Å; I174-L178 PolarHBondContact O-N 3.48Å; C175-L178 PolarHBondContact O-N 3Å; L178-T180 VanDerWaalsContact C-N 3.33Å; L178-T180 PolarHBondContact O-N 3.39Å; L178-V181 PolarHBondContact O-N 3.13Å; L178-L182 VanDerWaalsContact O-CG 3.32Å; L178-L182 WeakPolarHBondContact O-CG 3.33Å; L178-L182 PolarHBondContact O-N 2.79Å
179A90.8Very high87.9Confident56 Ų5682.9 Ų82.946%0.46351%0.507SS..Hα-helixtrans-62.2-39.6176.600000112.3C175 S176 A177 L182 L183C175-A179 WeakPolarHBondContact O-CB 3.14Å; C175-A179 PolarHBondContact O-N 2.9Å; S176-A179 PolarHBondContact O-N 3.25Å; A177-A179 PolarHBondContact O-N 2.77Å; A179-L182 PolarHBondContact O-N 3.48Å; A179-L183 WeakPolarHBondContact O-CB 3.25Å; A179-L183 PolarHBondContact O-N 3.36Å
180T92.7Very high88.8Confident89 Ų8984.7 Ų84.755%0.54651%0.513SS..Hα-helixtrans-69-38.2177.356.90000112.7S176 A177 L178 L183 A184S176-T180 WeakPolarHBondContact O-CG2 3.18Å; S176-T180 PolarHBondContact O-N 2.85Å; S176-T180 PolarHBondContact O-OG1 2.81Å; A177-T180 PolarHBondContact O-N 2.75Å; A177-T180 PolarHBondContact O-OG1 3.46Å; L178-T180 VanDerWaalsContact C-N 3.33Å; L178-T180 PolarHBondContact O-N 3.39Å; T180-L183 PolarHBondContact O-N 3.34Å; T180-A184 WeakPolarHBondContact O-CB 3.08Å; T180-A184 PolarHBondContact O-N 2.77Å
181V94.5Very high89.5Confident82 Ų8284.1 Ų84.150%0.49751%0.509SS..Hα-helixtrans-63.7-45.8174.2172.40000110.9A177 L178 L183 A184 L185A177-V181 WeakPolarHBondContact O-CG2 3.36Å; A177-V181 PolarHBondContact O-N 2.77Å; L178-V181 PolarHBondContact O-N 3.13Å; V181-L183 PolarHBondContact O-N 2.82Å; V181-A184 PolarHBondContact O-N 3.33Å; V181-L185 HydrophobicContact CG1-CD1 4.3Å; V181-L185 WeakPolarHBondContact O-CG 3.47Å; V181-L185 PolarHBondContact O-N 2.83Å
182L92.7Very high90Very high111 Ų11188.3 Ų88.358%0.58152%0.515SS*.Hα-helixtrans-62-42.9176.9-70.3172.8000111.7L178 A179 A184 L185 L186L178-L182 VanDerWaalsContact O-CG 3.32Å; L178-L182 WeakPolarHBondContact O-CG 3.33Å; L178-L182 PolarHBondContact O-N 2.79Å; A179-L182 PolarHBondContact O-N 3.48Å; L182-A184 VanDerWaalsContact C-N 3.35Å; L182-A184 PolarHBondContact O-N 2.78Å; L182-L185 PolarHBondContact O-N 2.82Å; L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.22Å
183L94.5Very high90.1Very high103 Ų10389.2 Ų89.254%0.53952%0.517SS..Hα-helixtrans-63.1-41.2176.6-173.664.7000111.8A179 T180 V181 L186 I187A179-L183 WeakPolarHBondContact O-CB 3.25Å; A179-L183 PolarHBondContact O-N 3.36Å; T180-L183 PolarHBondContact O-N 3.34Å; V181-L183 PolarHBondContact O-N 2.82Å; L183-L186 PolarHBondContact O-N 3.31Å; L183-I187 HydrophobicContact CG-CD1 4.05Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.31Å; L183-I187 PolarHBondContact O-N 3.22Å
184A94.4Very high89.7Confident55 Ų5591.6 Ų91.646%0.45552%0.52SS..Hα-helixtrans-62.9-42.9176.200000111.8T180 V181 L182 I187 L188T180-A184 WeakPolarHBondContact O-CB 3.08Å; T180-A184 PolarHBondContact O-N 2.77Å; V181-A184 PolarHBondContact O-N 3.33Å; L182-A184 VanDerWaalsContact C-N 3.35Å; L182-A184 PolarHBondContact O-N 2.78Å; A184-I187 PolarHBondContact O-N 3.48Å; A184-L188 VanDerWaalsContact O-CB 3.32Å; A184-L188 WeakPolarHBondContact O-CB 3.37Å; A184-L188 PolarHBondContact O-N 3.41Å
185L92.4Very high89.2Confident99 Ų9995.3 Ų95.352%0.51853%0.528SS..Hα-helixtrans-62.9-42175.1-70.4174.8000111.8V181 L182 L188 C189V181-L185 HydrophobicContact CG1-CD1 4.3Å; V181-L185 WeakPolarHBondContact O-CG 3.47Å; V181-L185 PolarHBondContact O-N 2.83Å; L182-L185 PolarHBondContact O-N 2.82Å; L185-L188 PolarHBondContact O-N 2.88Å; L185-C189 WeakPolarHBondContact O-CB 3.12Å; L185-C189 PolarHBondContact O-N 2.77Å; L185-C189 PolarHBondContact O-SG 3.28Å
186L91.9Very high88.5Confident112 Ų11295.9 Ų95.959%0.58652%0.522SS*.Hα-helixtrans-63.1-43.8175.5-70.9175.5000112L182 L183 L188 C189 V190L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.22Å; L183-L186 PolarHBondContact O-N 3.31Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 2.87Å; L186-C189 PolarHBondContact O-N 3.39Å; L186-V190 WeakPolarHBondContact O-CG2 3.28Å; L186-V190 PolarHBondContact O-N 2.81Å
187I93.6Very high87.3Confident91 Ų9198 Ų9847%0.46752%0.523SS..Hα-helixtrans-61-43.1175.1-68.8165.2000110.2L183 A184 V190 I191L183-I187 HydrophobicContact CG-CD1 4.05Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.31Å; L183-I187 PolarHBondContact O-N 3.22Å; A184-I187 PolarHBondContact O-N 3.48Å; I187-V190 PolarHBondContact O-N 3.49Å; I187-I191 HydrophobicContact CG2-CD1 3.7Å; I187-I191 HydrophobicContact CG2-CG1 4.38Å; I187-I191 WeakPolarHBondContact O-CB 3.43Å; I187-I191 VanDerWaalsContact O-CG1 3.25Å; I187-I191 WeakPolarHBondContact O-CG1 3.26Å; I187-I191 PolarHBondContact O-N 2.93Å
188L91.4Very high85.8Confident116 Ų116101.9 Ų101.961%0.60753%0.534SS*.Hα-helixtrans-67.8-38.6179.2-149.1144.4000111.5A184 L185 L186 I191 Y192A184-L188 VanDerWaalsContact O-CB 3.32Å; A184-L188 WeakPolarHBondContact O-CB 3.37Å; A184-L188 PolarHBondContact O-N 3.41Å; L185-L188 PolarHBondContact O-N 2.88Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 2.87Å; L188-I191 PolarHBondContact O-N 2.86Å; L188-Y192 WeakPolarHBondContact O-CB 3.42Å; L188-Y192 PolarHBondContact O-N 3.43Å
189C88.4Confident84.3Confident70 Ų70104.9 Ų104.947%0.47355%0.545SS..Hα-helixtrans-61.2-44169.9-75.10000111.5L185 L186 Y192 C193L185-C189 WeakPolarHBondContact O-CB 3.12Å; L185-C189 PolarHBondContact O-N 2.77Å; L185-C189 PolarHBondContact O-SG 3.28Å; L186-C189 PolarHBondContact O-N 3.39Å; C189-Y192 PolarHBondContact O-N 3.41Å; C189-C193 WeakPolarHBondContact O-CB 3.35Å; C189-C193 PolarHBondContact O-N 2.85Å; C189-C193 PolarHBondContact O-SG 2.73Å
190V89.9Confident82.6Confident92 Ų92110 Ų11056%0.55856%0.557SS**Hα-helixtrans-65.7-41.31771710000111.3L186 I187 K194L186-V190 WeakPolarHBondContact O-CG2 3.28Å; L186-V190 PolarHBondContact O-N 2.81Å; I187-V190 PolarHBondContact O-N 3.49Å; V190-K194 VanDerWaalsContact O-CB 3.26Å; V190-K194 WeakPolarHBondContact O-CB 3.01Å; V190-K194 PolarHBondContact O-N 3.4Å
191I89.8Confident80.7Confident89 Ų89111.6 Ų111.646%0.45656%0.556SS.*Hα-helixtrans-66.6-40.8175.9-67.7167.2000110.6I187 L188 K194 R195I187-I191 HydrophobicContact CG2-CD1 3.7Å; I187-I191 HydrophobicContact CG2-CG1 4.38Å; I187-I191 WeakPolarHBondContact O-CB 3.43Å; I187-I191 VanDerWaalsContact O-CG1 3.25Å; I187-I191 WeakPolarHBondContact O-CG1 3.26Å; I187-I191 PolarHBondContact O-N 2.93Å; L188-I191 PolarHBondContact O-N 2.86Å; I191-K194 PolarHBondContact O-N 3.08Å; I191-R195 WeakPolarHBondContact O-CB 3.21Å; I191-R195 WeakPolarHBondContact O-CG 3.4Å; I191-R195 PolarHBondContact O-N 3.34Å
192Y84.4Confident78.7Confident138 Ų138113.1 Ų113.154%0.54157%0.568SS.*Hα-helixtrans-66.3-46.4176.8-176.7-102.7000111.4L188 C189 K194 R195 Q196L188-Y192 WeakPolarHBondContact O-CB 3.42Å; L188-Y192 PolarHBondContact O-N 3.43Å; C189-Y192 PolarHBondContact O-N 3.41Å; Y192-K194 VanDerWaalsContact C-N 3.35Å; Y192-K194 PolarHBondContact O-N 2.94Å; Y192-R195 PolarHBondContact O-N 3.45Å; Y192-Q196 HydrophobicContact CD1-CG 4.3Å; Y192-Q196 HydrophobicContact CE1-CG 3.96Å; Y192-Q196 HydrophobicContact CE2-CG 4.47Å; Y192-Q196 WeakPolarHBondContact O-CB 3.32Å; Y192-Q196 PolarHBondContact O-N 2.86Å; Y192-Q196 PolarHBondContact OH-NE2 3.06Å
193C80.6Confident76.5Confident79 Ų79113.5 Ų113.553%0.53458%0.58SS.*Hα-helixtrans-61.8-41.5173.4-70.40000111.1C189 F197C189-C193 WeakPolarHBondContact O-CB 3.35Å; C189-C193 PolarHBondContact O-N 2.85Å; C189-C193 PolarHBondContact O-SG 2.73Å; C193-F197 WeakPolarHBondContact O-CB 3.46Å; C193-F197 PolarHBondContact O-N 3.49Å
194K78.8Confident73.8Confident144 Ų144120.2 Ų120.263%0.62660%0.599SS**Hα-helixtrans-64.5-41173.3-89.6-131.4174.4174.90112.3V190 I191 Y192 F197 M198V190-K194 VanDerWaalsContact O-CB 3.26Å; V190-K194 WeakPolarHBondContact O-CB 3.01Å; V190-K194 PolarHBondContact O-N 3.4Å; I191-K194 PolarHBondContact O-N 3.08Å; Y192-K194 VanDerWaalsContact C-N 3.35Å; Y192-K194 PolarHBondContact O-N 2.94Å; K194-F197 PolarHBondContact O-N 2.89Å; K194-M198 WeakPolarHBondContact O-CB 3.33Å; K194-M198 WeakPolarHBondContact O-CG 3.29Å; K194-M198 PolarHBondContact O-N 2.73Å
195R78.1Confident71.4Confident173 Ų173123 Ų12365%0.65362%0.615SS**Hα-helixtrans-67.6-46.3176.5-83.7-172.1176.5-167.70.1111.4I191 Y192 F197 M198 E199I191-R195 WeakPolarHBondContact O-CB 3.21Å; I191-R195 WeakPolarHBondContact O-CG 3.4Å; I191-R195 PolarHBondContact O-N 3.34Å; Y192-R195 PolarHBondContact O-N 3.45Å; R195-F197 VanDerWaalsContact C-N 3.28Å; R195-F197 PolarHBondContact O-N 2.84Å; R195-M198 CarbonylContact O-C 3.48Å; R195-M198 PolarHBondContact O-N 3.23Å; R195-M198 VanDerWaalsContact O-N 3.08Å; R195-E199 WeakPolarHBondContact O-CB 3.3Å; R195-E199 PolarHBondContact O-N 3.02Å
196Q70.2Confident68.9Low95 Ų95126 Ų12644%0.44463%0.63SS.*Hα-helixtrans-59.6-39.1173.5-78.5-150.95.200112.5Y192 M198 K200Y192-Q196 HydrophobicContact CD1-CG 4.3Å; Y192-Q196 HydrophobicContact CE1-CG 3.96Å; Y192-Q196 HydrophobicContact CE2-CG 4.47Å; Y192-Q196 WeakPolarHBondContact O-CB 3.32Å; Y192-Q196 PolarHBondContact O-N 2.86Å; Y192-Q196 PolarHBondContact OH-NE2 3.06Å; Q196-M198 VanDerWaalsContact C-N 3.29Å; Q196-M198 PolarHBondContact O-N 3.16Å; Q196-K200 VanDerWaalsContact O-CB 3.31Å; Q196-K200 WeakPolarHBondContact O-CB 3.13Å; Q196-K200 PolarHBondContact O-N 3.3Å
197F60.2Low66.2Low112 Ų112132.8 Ų132.849%0.49165%0.648SS.*Hα-helixtrans-74.4-19.9178.1-165.6-94000112.8C193 K194 R195 K200 K201C193-F197 WeakPolarHBondContact O-CB 3.46Å; C193-F197 PolarHBondContact O-N 3.49Å; K194-F197 PolarHBondContact O-N 2.89Å; R195-F197 VanDerWaalsContact C-N 3.28Å; R195-F197 PolarHBondContact O-N 2.84Å; F197-K200 CarbonylContact O-C 3.49Å; F197-K201 HydrophobicContact CD1-CD 3.73Å; F197-K201 VanDerWaalsContact CD1-CE 3.42Å; F197-K201 HydrophobicContact CE1-CD 3.59Å; F197-K201 HydrophobicContact CE2-CD 4.46Å; F197-K201 HydrophobicContact CG-CD 4.25Å; F197-K201 VanDerWaalsContact CG-CE 3.49Å; F197-K201 HydrophobicContact CZ-CD 4.02Å; F197-K201 VanDerWaalsContact O-CD 3.26Å; F197-K201 WeakPolarHBondContact O-CD 3.45Å; F197-K201 WeakPolarHBondContact O-CE 3.17Å
198M59.9Low63.5Low129 Ų129133.3 Ų133.364%0.63566%0.66SS**Hα-helixtrans-99.9-28.4179.1-68.2-77.4132.500112.9K194 R195 Q196K194-M198 WeakPolarHBondContact O-CB 3.33Å; K194-M198 WeakPolarHBondContact O-CG 3.29Å; K194-M198 PolarHBondContact O-N 2.73Å; R195-M198 CarbonylContact O-C 3.48Å; R195-M198 PolarHBondContact O-N 3.23Å; R195-M198 VanDerWaalsContact O-N 3.08Å; Q196-M198 VanDerWaalsContact C-N 3.29Å; Q196-M198 PolarHBondContact O-N 3.16Å
199E60.5Low60.8Low167 Ų167135.6 Ų135.678%0.7867%0.667SS**Hα-helixtrans-72.9-21.3165.1-94.3176.1111.800111.4R195R195-E199 WeakPolarHBondContact O-CB 3.3Å; R195-E199 PolarHBondContact O-N 3.02Å
200K54.9Low58.1Low163 Ų163138.6 Ų138.671%0.70968%0.678SS**SBendtrans-114.780.9169.3-60.8-163.9177.1-173.90111.5Q196 F197Q196-K200 VanDerWaalsContact O-CB 3.31Å; Q196-K200 WeakPolarHBondContact O-CB 3.13Å; Q196-K200 PolarHBondContact O-N 3.3Å; F197-K200 CarbonylContact O-C 3.49Å
201K53.9Low55.3Low123 Ų123142.3 Ų142.354%0.53569%0.694SS.*  trans-167.6150.2153-103.6145.5-133.8-98.70113.6F197F197-K201 HydrophobicContact CD1-CD 3.73Å; F197-K201 VanDerWaalsContact CD1-CE 3.42Å; F197-K201 HydrophobicContact CE1-CD 3.59Å; F197-K201 HydrophobicContact CE2-CD 4.46Å; F197-K201 HydrophobicContact CG-CD 4.25Å; F197-K201 VanDerWaalsContact CG-CE 3.49Å; F197-K201 HydrophobicContact CZ-CD 4.02Å; F197-K201 VanDerWaalsContact O-CD 3.26Å; F197-K201 WeakPolarHBondContact O-CD 3.45Å; F197-K201 WeakPolarHBondContact O-CE 3.17Å
202P52.3Low52.4Low114 Ų114145.4 Ų145.474%0.7471%0.706SS**  cis-128.1133.63.636.3-18.4000113.4
203S46.6Very low49.7Very low119 Ų119148 Ų14883%0.83272%0.716SS**SBendtrans-13363.9161.670.50000110.4
204W38Very low47.3Very low245 Ų245151.8 Ų151.893%0.92873%0.731SS**SBendtrans-176.680.913968.6-70.8000108.9
205S44.4Very low45Very low113 Ų113147.5 Ų147.579%0.7973%0.728SS**SBendtrans-141.6125.8138.1-176.60000104.7
206L39.2Very low42.9Very low163 Ų163144.9 Ų144.985%0.85374%0.736SS**  trans84.371.1178.3-134.875.4000118.2
207R34.8Very low41.2Very low254 Ų254147.8 Ų147.896%0.95875%0.749SS**  trans-143.764.5141.6-140-179-167124.3-0.3110.6
208S38.2Very low40.1Very low101 Ų101149.1 Ų149.171%0.70676%0.761SS**  trans-130.6114.7158.6167.40000102.7
209Q33.3Very low38.5Very low165 Ų165147.3 Ų147.377%0.77176%0.761SS**  cis-1181777.5-67.9143.7-36.200108.2
210D32.1Very low37.1Very low132 Ų132143.7 Ų143.771%0.70675%0.753SS**  cis-175.9134.535-135.6-25.4000109.8
211I32.3Very low35.9Very low171 Ų171144.8 Ų144.888%0.87776%0.758SS**SBendtrans-163.9111.9151.2-59.3-170.6000103.3
212H26.9Very low34.8Very low153 Ų153144.6 Ų144.671%0.70876%0.763SS**SBendcis-16312412.2173.5-66.4000109.5
213Y29.5Very low33.8Very low192 Ų192148.8 Ų148.875%0.75376%0.764SS**  trans53122.4157.4-80.8-105.4000123
214N28.7Very low32.9Very low160 Ų160147.3 Ų147.386%0.85675%0.754SS**  -166.8123.989.8-158.112.8000113.2
215G31.5Very low32.5Very low54 Ų54146 Ų14656%0.55775%0.749SS**  trans82.895.814400000120.7
216S32.9Very low31.7Very low117 Ų117147 Ų14782%0.81875%0.745SS**  trans56.6136.9132.1-60.50000120.5
217E35.8Very low31.1Very low156 Ų156145.2 Ų145.273%0.72974%0.736SS**  cis-176.6149.5-2.2-97.6-132.3161.800106.3
218L35.4Very low30.7Very low141 Ų141139.9 Ų139.974%0.73872%0.722SS**  trans76100.4155.4-57.1152.8000118.3
219S28.1Very low30.2Very low91 Ų91144.3 Ų144.364%0.63672%0.724SS**  5812379.776.90000113.1
220C29.7Very low30Very low91 Ų91143 Ų14362%0.61572%0.722SS**  179.9144.386.4-96.70000114.3
221F30.1Very low30Very low185 Ų185145.1 Ų145.181%0.81173%0.728SS**  trans68116160.1-53.3-63.5000119.1
222D30.8Very low30Very low120 Ų120147.9 Ų147.964%0.64273%0.727SS**  80.3130.150.3-159.530.4000114.8
223R31.2Very low30.2Very low201 Ų201146.4 Ų146.476%0.75873%0.729SS**  trans61.5108.2154.8-95.6-174165.786.2-2.4123
224S27.8Very low30.2Very low88 Ų88142.5 Ų142.562%0.61573%0.729SS**  56.3128105.179.70000122.5
225R29.2Very low30.4Very low219 Ų219139.8 Ų139.883%0.82672%0.721SS**  trans87.6128.1140.2-79.2-172.2-176.3-90.30.6119.8
226L28.3Very low30.4Very low134 Ų134145.9 Ų145.970%0.70274%0.735SS**  trans73.3114.3141.1-99.898.3000119.4
227N26.4Very low30.3Very low125 Ų125146.7 Ų146.767%0.66874%0.739SS**  92.6138.5118.1-153.124.6000119.3
228E27Very low30Very low141 Ų141148.7 Ų148.766%0.65975%0.748SS**  trans76.8115.2147.7-121.8151.3153.700121.6
229Y27.5Very low29.9Very low195 Ų195153.6 Ų153.677%0.76576%0.757SS**  trans65.9132.3138.9-92.5-105000123.1
230D28.1Very low29.9Very low136 Ų136152.3 Ų152.373%0.72776%0.758SS**  trans79.4134.5140.8-86.4-17.3000125.2
231H33Very low30Very low177 Ų177154.6 Ų154.682%0.81977%0.769SS**  trans-42.1132.6164.7-68.6-18.7000114.9
232R31.3Very low30.2Very low230 Ų230150.6 Ų150.687%0.86876%0.764SS**  -170.7121.4114.7-110.5-171.6178.2-163.2-0.8112.7
233T32.1Very low30.3Very low121 Ų121153.6 Ų153.674%0.74277%0.774SS**  24.3126.1128.157.90000119.6
234C28.9Very low30.4Very low111 Ų111150.7 Ų150.775%0.7578%0.779SS**  166110.1115.3-179.20000108.7
235C33.8Very low30.7Very low103 Ų103152.8 Ų152.870%0.69679%0.792SS**  108.9135102.2-63.20000107
236Q31.1Very low31.1Very low181 Ų181144.9 Ų144.985%0.84678%0.779SS**  cis-172.7117.840.1-163.2152.34.300106.7
237C31.1Very low31.7Very low134 Ų134144.3 Ų144.391%0.90578%0.784SS**  trans-136.6117.6158.7-86.60000107.7
238H29.4Very low32.1Very low198 Ų198144.4 Ų144.492%0.91779%0.788SS**  trans-63.1138.5-172.8-158.256.9000110.7
239R33Very low32.6Very low245 Ų245145.8 Ų145.893%0.92579%0.794SS**  trans-105.2139.1-177.6-163.5-173-162.1-163.46.5109.8
240G27.8Very low33.1Very low64 Ų64144.2 Ų144.266%0.6680%0.798SS**  trans144.8123.7160.900000110
241T31.3Very low33.5Very low139 Ų139144.9 Ų144.985%0.85380%0.8SS**  cis-159.7156.234.935.30000111.4
242S34.8Very low33.6Very low101 Ų101142.2 Ų142.271%0.70680%0.799SS**  trans-25.4136.9169.850.90000119.3
243Q34Very low33.6Very low183 Ų183136.1 Ų136.186%0.85579%0.792SS**  -170.9119.4126.9-101.9165.956.400113.1
244T33.2Very low33.7Very low139 Ų139138.3 Ų138.385%0.85380%0.798SS**  trans51.9133134.5-23.60000122.8
245C33.2Very low33.8Very low132 Ų132139.1 Ų139.189%0.89280%0.803SS**  trans-69.8149.6-178.4-171.10000115.3
246G37.9Very low33.8Very low54 Ų54139.7 Ų139.756%0.55781%0.807SS**  trans-162.4141.6159.200000110.9V248G246-V248 PolarHBondContact O-N 3.5Å
247P40.6Very low33.9Very low122 Ų122138.8 Ų138.879%0.79281%0.808SS**  trans-80.4119.7-174.731.1-30.9000110.9
248V35.6Very low33.9Very low127 Ų127140.9 Ų140.977%0.7781%0.805SS**  trans-94114.9170.3178.20000108.1G246 L250G246-V248 PolarHBondContact O-N 3.5Å; V248-L250 PolarHBondContact O-N 3.45Å
249H36.1Very low33.9Very low169 Ų169137.7 Ų137.778%0.78280%0.799SS**  trans-65.1114.5169.2-82.8-99.1000109.3I251H249-I251 PolarHBondContact O-N 3.34Å
250L38.3Very low33.9Very low163 Ų163131.7 Ų131.785%0.85379%0.794SS**  trans-79106169.6-68.2169000108.6V248V248-L250 PolarHBondContact O-N 3.45Å
251I37.4Very low33.8Very low149 Ų149134.7 Ų134.776%0.76480%0.804SS**  trans-90.1121.7162.4-61.1172.8000106.3H249 S253H249-I251 PolarHBondContact O-N 3.34Å; I251-S253 PolarHBondContact O-N 3.28Å
252P33.9Very low33.7Very low121 Ų121136.3 Ų136.379%0.78680%0.804SS**  trans-70.3109.2174.8-13.928.6000109.9
253S32.4Very low33.4Very low103 Ų103139.9 Ų139.972%0.7281%0.81SS**  trans-80.1118.2168.555.10000109.4I251 C255I251-S253 PolarHBondContact O-N 3.28Å; S253-C255 PolarHBondContact O-N 3.2Å
254L34.4Very low33.2Very low167 Ų167140 Ų14087%0.87481%0.81SS**  trans-59.4118.3164.2-71.4148.4000108.8
255C29.8Very low33Very low127 Ų127137.8 Ų137.886%0.85880%0.8SS**  trans-85.5114.3162.7-69.10000107.8S253S253-C255 PolarHBondContact O-N 3.2Å
256C34.2Very low32.8Very low115 Ų115137.3 Ų137.378%0.77780%0.798SS**PPolyproline II helixtrans-87.9135.9164-65.30000108.6
257D32.7Very low32.4Very low163 Ų163142.6 Ų142.687%0.87281%0.808SS**PPolyproline II helixtrans-65.3126.6171.4-84.4-40.5000111
258E31.3Very low31.8Very low178 Ų178142.6 Ų142.683%0.83281%0.811SS**PPolyproline II helixtrans-77.3120.5159.9-91.1158.7118.900109.4
259T31Very low31.5Very low131 Ų131141.7 Ų141.780%0.80481%0.809SS**  trans-121.6106.2153.837.80000109.6S261T259-S261 PolarHBondContact O-N 3.2Å
260C31.5Very low31.2Very low119 Ų119137.6 Ų137.680%0.80481%0.805SS**  trans-61.8124.4164.1-52.80000109.3
261S26.7Very low30.7Very low127 Ų127138.5 Ų138.589%0.88880%0.802SS**  trans-104.1106.5160.2-71.60000108.3T259T259-S261 PolarHBondContact O-N 3.2Å
262M28.8Very low30.1Very low173 Ų173140.7 Ų140.785%0.85281%0.809SS**  trans-97.3135.2169-167124.661.600108.4
263E29.1Very low29.9Very low176 Ų176139.6 Ų139.682%0.82280%0.804SS**  trans-47.8139.9174.1-68.1164.5114.500112.8
264H29.4Very low29.7Very low185 Ų185143.3 Ų143.386%0.85681%0.81SS**  trans-135.3113.7145.5-97.1-68.3000110.8
265S27.9Very low29.5Very low93 Ų93141.5 Ų141.565%0.6581%0.806SS**  trans-48.8140.9159.651.70000112.2
266S29.4Very low29.5Very low122 Ų122142 Ų14285%0.85381%0.806SS**  trans-121.9104.1152.246.60000108.4
267H29.8Very low29.2Very low164 Ų164144 Ų14476%0.75981%0.807SS**  trans-69.6122.8160.9-86.3-94.3000108.9
268S28.8Very low29Very low122 Ų122144.1 Ų144.185%0.85380%0.802SS**  trans-132.7113.9139.273.40000108.6
269C29.5Very low28.9Very low108 Ų108143.3 Ų143.373%0.7380%0.799SS**  trans-87.8146.7165.5-59.80000106.8
270A29.8Very low28.9Very low84 Ų84147.5 Ų147.569%0.69480%0.8SS**  -172.613669.300000112.3
271F26.7Very low28.9Very low181 Ų181146 Ų14679%0.79480%0.796SS**  trans59.3110.3140.7-77-89000121.7
272H25.8Very low29.1Very low196 Ų196145.8 Ų145.891%0.90780%0.795SS**  -153.3125.2111.6-99.4-68.9000109.9
273S28Very low29.2Very low97 Ų97145.5 Ų145.568%0.67880%0.796SS**  trans-122.6126.4173.6-51.10000108.6
274Q29.9Very low29.2Very low181 Ų181142.6 Ų142.685%0.84680%0.796SS**  trans-151.899.7151.6-77.3-161.30.900106.7
275T29.3Very low29.5Very low130 Ų130140.8 Ų140.880%0.79880%0.797SS**  68.310898.854.60000114.6
276T29Very low29.7Very low138 Ų138139.6 Ų139.685%0.84780%0.8SS**  trans-64.912415847.30000111.4
277L27.9Very low30Very low156 Ų156143.3 Ų143.382%0.81780%0.804SS**  trans-174.2104.2145.2-120169.9000109.9
278H28.7Very low30.1Very low165 Ų165144 Ų14476%0.76481%0.81SS**  trans-159.1120.5135.9-134.2-69.1000112.1
279E29Very low30.6Very low162 Ų162145 Ų14576%0.75780%0.804SS**  trans-68134165.5-176.8175.5173.300110.6
280R32.7Very low30.9Very low218 Ų218145.8 Ų145.882%0.82381%0.808SS**  trans-173.4133.9133.4-102.7-179.5-156.399.50.4112
281A30.3Very low30.9Very low89 Ų89147.9 Ų147.974%0.73681%0.812SS**  trans-62.5153.4174.500000113.9
282S31.9Very low31Very low122 Ų122148.7 Ų148.785%0.85382%0.815SS**  trans-167.3122.8136.5-75.10000109.8
283D30Very low31.3Very low166 Ų166147.4 Ų147.489%0.88881%0.814SS**  trans-60.6144.7169.4-62.1-61.1000111.9
284S29.1Very low31.2Very low116 Ų116146.1 Ų146.181%0.81182%0.816SS**  trans-169.7113.3145.6-174.40000111.2
285V36.2Very low31.1Very low146 Ų146143.6 Ų143.689%0.88582%0.819SS**  trans-59.5142.8157.4163.10000109.6
286G31.5Very low31.1Very low69 Ų69144.8 Ų144.871%0.71182%0.82SS**  trans175.9102.6170.900000112.7
287E35.2Very low31.1Very low200 Ų200143.8 Ų143.894%0.93582%0.818SS**  trans-60.5134.3167.4-66174.7133.100111.1
288M33.7Very low31.2Very low179 Ų179144.3 Ų144.388%0.88282%0.816SS**  trans-169.6132.6153.4174.3162.6-129.700112.1
289I38.9Very low31.1Very low143 Ų143142 Ų14273%0.73382%0.819SS**  trans-41.2153.5173.3-57.8164000114.8
290P34.7Very low31.3Very low124 Ų124140.3 Ų140.381%0.80582%0.82SS**  trans-120.8121.3145.832.1-18.5000113.2
291T31.6Very low31.2Very low127 Ų127136.3 Ų136.378%0.77982%0.823SS**  trans-63.7140.4157.831.60000111.6
292F27.7Very low31.2Very low198 Ų198135 Ų13587%0.86882%0.819SS**  trans-5125.6150.2-87.8-105.9000117.6
293L32.2Very low31.1Very low169 Ų169136.4 Ų136.489%0.88582%0.817SS**  -175.8118.5110.6-94.7165.1000111.4
294G26.1Very low31.2Very low70 Ų70135.4 Ų135.472%0.72281%0.81SS**  trans52.4112139.400000120.9
295S27.3Very low31.3Very low128 Ų128135.6 Ų135.690%0.89581%0.811SS**  -163.6119.9117.1-80.70000111.2
296L29.1Very low31.2Very low156 Ų156135.4 Ų135.482%0.81781%0.805SS**  trans-76.2130176.8-157.481.4000108.9
297S29.1Very low31.7Very low117 Ų117136.6 Ų136.682%0.81881%0.808SS**  trans-153.886.7164-71.80000109.3
298H30.3Very low31.6Very low166 Ų166138.7 Ų138.777%0.76981%0.808SS**  trans-85.3113.8164-79.5-84.1000108.7
299S27.5Very low31.6Very low118 Ų118135.2 Ų135.283%0.82580%0.799SS**  trans-106.8105.1162.1172.80000107
300T31.6Very low31.3Very low126 Ų126136.6 Ų136.677%0.77381%0.806SS**  trans-122.2107.5170.342.10000107.8
301C31.8Very low31.1Very low133 Ų133137.9 Ų137.990%0.89980%0.803SS**  trans-86.2126.5163.9-161.90000107.2
302G30.9Very low31.4Very low62 Ų62139.2 Ų139.264%0.63980%0.801SS**  trans-94.3157.818000000112.4
303D29.7Very low31.7Very low152 Ų152136.3 Ų136.381%0.81379%0.794SS**  trans-127.5105.5157.8-94.6-34.5000109.4
304I30.3Very low31.6Very low144 Ų144133.5 Ų133.574%0.73879%0.789SS**  trans29.6104.8133.8-41.4164.1000116.7
305S31.3Very low32Very low120 Ų120134.9 Ų134.984%0.83979%0.794SS**  trans-125.9117.8153-1680000108.2A307S305-A307 PolarHBondContact O-N 3.26Å
306D34.4Very low32.2Very low142 Ų142133.5 Ų133.576%0.75978%0.783SS**  trans-78.5112.4174.2-72-46.9000110.5
307A42.2Very low32.3Very low94 Ų94130.6 Ų130.678%0.77778%0.775SS**  trans-152.5120.5149.700000108.7S305S305-A307 PolarHBondContact O-N 3.26Å
308W33.2Very low32.5Very low244 Ų244132 Ų13292%0.92477%0.773SS**  trans-69.3141.6-175-77.582.7000113.1
309P33.6Very low32.7Very low107 Ų107129.5 Ų129.570%0.69577%0.774SS**  trans-97.4140.517435.8-28.8000111.7
310L33.8Very low33.1Very low171 Ų171131.5 Ų131.590%0.89577%0.774SS**  trans-97.6105.1160.9-73.7175.4000109.7
311M29.2Very low32.9Very low151 Ų151131.1 Ų131.174%0.74478%0.776SS**  trans40.9109.9146.7-64.9-169.26700120
312Q38.3Very low32.8Very low156 Ų156133.9 Ų133.973%0.72977%0.773SS**  78116.386.7-100.7179.12000114
313N33.6Very low32.6Very low136 Ų136137.1 Ų137.173%0.72779%0.785SS**  -176.3162.767.8-81-35.7000108.9
314S30.9Very low32.5Very low111 Ų111137.7 Ų137.778%0.77678%0.783SS**  cis-169.5151.6-1.246.40000110
315A33.5Very low32.5Very low99 Ų99136.3 Ų136.382%0.81879%0.786SS**  trans-15.1162.8156.200000119.7
316C31.6Very low32.4Very low99 Ų99137.7 Ų137.767%0.66978%0.779SS**  cis170.2139.5-11171.60000105.4
317C32.6Very low32.2Very low95 Ų95136.7 Ų136.764%0.64278%0.783SS**  trans55.1147.4134.3-27.60000119.7
318D32.9Very low31.6Very low145 Ų145139.6 Ų139.678%0.77578%0.781SS**  cis-174.2155.537.9-103.4-39.1000111.6
319S33.9Very low31.5Very low115 Ų115135.4 Ų135.480%0.80478%0.776SS**  trans67.6143.9137.2-600000125.2
320I36.3Very low31.3Very low160 Ų160134.9 Ų134.982%0.82178%0.78SS**  trans-75.2144.5-170.7-62.8158.8000113.2
321S27.2Very low31.1Very low117 Ų117130.7 Ų130.782%0.81878%0.778SS**  trans-150.5123.3157.8179.50000110.5
322F29.5Very low31Very low191 Ų191127.7 Ų127.784%0.83879%0.786SS**  trans-92.5134.9166.5-96.2-92.9000108.8
323C25.7Very low30.5Very low130 Ų130123.8 Ų123.888%0.87879%0.788SS**  trans-159.6131.7145.9-106.40000111.2
324E29Very low31.1Very low164 Ų164122.9 Ų122.977%0.76679%0.789SS**  trans-44141.9170.1-142.7101.8-176.900115.4
325S30.6Very low31Very low116 Ų116124.8 Ų124.881%0.81179%0.791SS**  trans-170.110613116.90000113.3
326H29.2Very low30.8Very low148 Ų148124.9 Ų124.969%0.68579%0.785SS**  trans25.5132.1145.6-71.4-88.1000123.3
327S29.6Very low30.6Very low122 Ų122126 Ų12685%0.85379%0.793SS**  -164.5111.5112-72.80000112.6
328E29.9Very low30.5Very low155 Ų155126.9 Ų126.972%0.72480%0.8SS**  trans-33153.6145.5-89.8173.6122.700114.1
329L30.5Very low31.1Very low156 Ų156125.2 Ų125.282%0.81780%0.797SS**  cis-160.1159.123.4-90.1138.1000105.8
330A28.6Very low31Very low96 Ų96128.2 Ų128.279%0.79380%0.798SS**  -163.5137.854.800000111
331G29.8Very low30.7Very low83 Ų83127.3 Ų127.386%0.85680%0.8SS**  trans-78.4153.9171.900000112.7
332G27.5Very low31Very low87 Ų87129.4 Ų129.490%0.89780%0.798SS**  trans-136.8116.1174.600000111.7
333G28.5Very low31.1Very low75 Ų75127.6 Ų127.677%0.77380%0.797SS**  trans145149.1163.300000111.7
334P45.6Very low31.4Very low116 Ų116125.6 Ų125.675%0.75379%0.789SS**  cis-129.8163.6-3.837.9-21.1000113.7
335N30.2Very low31.4Very low152 Ų152121.8 Ų121.881%0.81379%0.786SS**  trans178.8131.4135.2-93.7-8.6000114.3
336S28.8Very low31.2Very low100 Ų100122.3 Ų122.370%0.69978%0.784SS**  trans37.2120147.371.90000121.1
337C26.5Very low31.4Very low123 Ų123120.9 Ų120.983%0.83179%0.786SS**  169.5128102.5-87.40000109.7
338S31.2Very low31.3Very low114 Ų114123.1 Ų123.180%0.79778%0.783SS**  trans-67.7161.6160.4-50.70000109.8
339P44.8Very low31.2Very low110 Ų110120 Ų12071%0.71478%0.778SS**  -140.2150.978.529.3-9000115.7
340E31.9Very low31.3Very low177 Ų177119.1 Ų119.183%0.82777%0.774SS**  trans28.3121.8135.3-54176.8138.900119.3
341T29.6Very low31.5Very low141 Ų141120.2 Ų120.287%0.86577%0.767SS**  -161.8134.2109.2-19.90000111.2
342E33.5Very low31.8Very low162 Ų162121.7 Ų121.776%0.75776%0.755SS**  trans-61.1149.2170.8-60.1163.4118.900112.1
343N32.6Very low32Very low153 Ų153124.2 Ų124.282%0.81874%0.743SS**  173.9145103.8-85.1-40.8000113.1
344A31.1Very low32.2Very low88 Ų88127.8 Ų127.873%0.72774%0.74SS**  trans-91.5157.1-177.500000112.6
345A29.1Very low31.4Very low84 Ų84129 Ų12969%0.69474%0.74SS**  trans71.1159.4135.800000121.5
346T27.7Very low31.5Very low126 Ų126126.3 Ų126.377%0.77373%0.733SS**  trans87.2109.8159.750.60000117.4
347V32.3Very low31.5Very low119 Ų119129 Ų12972%0.72174%0.739SS**  74.8123.985.8173.50000108.7
348E27.3Very low31.6Very low169 Ų169130.2 Ų130.279%0.7974%0.742SS**  -17714062.5-143.4144.517900106
349S29.1Very low31.7Very low89 Ų89132 Ų13262%0.62274%0.742SS**  74.8133.6106.9-148.50000114
350D31.4Very low31.1Very low138 Ų138134.3 Ų134.374%0.73875%0.747SS**  -178.6159.550.4-116.1-37.4000105.1
351N33.5Very low31Very low119 Ų119130.9 Ų130.964%0.63674%0.743SS**  cis-171170.217.5-151.56.1000111.1
352D35.3Very low31Very low114 Ų114128.2 Ų128.261%0.6174%0.735SS**  trans74.1134152.1-56.3-33000120.6
353Q33.2Very low30.8Very low139 Ų139129.6 Ų129.665%0.6574%0.738SS**  cis-164.4126.66.7-165.969.844.700108.9
354E31Very low30.6Very low151 Ų151126.8 Ų126.871%0.70673%0.731SS**  trans51.3123.8131.7-135-176.7159.500122.7
355L30.2Very low30.4Very low142 Ų142130.9 Ų130.974%0.74373%0.734SS**  177.2114.6101.7-147.787.8000113.5
356S31.1Very low30.6Very low95 Ų95134.1 Ų134.166%0.66474%0.74SS**  trans39.1113.6148.462.60000120.6
357D29.9Very low30.6Very low156 Ų156131.7 Ų131.783%0.83474%0.74SS**  47114.962.6-81-19.8000116.5
358V29Very low30.5Very low149 Ų149131.5 Ų131.590%0.90374%0.744SS**  -165.2130.3107.5167.30000109
359L32.6Very low30.7Very low152 Ų152131.5 Ų131.580%0.79675%0.747SS**  trans-115.3179.2177.8-147.1135.1000108.6
360I32.4Very low30.7Very low158 Ų158131.3 Ų131.381%0.8175%0.752SS**  trans106134159.8-57.1174.4000113.9
361S28.3Very low30.7Very low105 Ų105134.1 Ų134.173%0.73476%0.757SS**  cis-177.3169.7-10.41790000108.9
362A29.8Very low30.6Very low85 Ų85133.1 Ų133.170%0.70276%0.76SS**  trans-32161.8173.600000118.3
363K30.7Very low30.3Very low191 Ų191138 Ų13883%0.8378%0.775SS**  -179.3147.357-152-179-177.8172.10112.7
364S28.7Very low30.3Very low94 Ų94139.4 Ų139.466%0.65778%0.782SS**  trans43.4130.5144.164.70000123.7
365H26Very low30.2Very low174 Ų174139.1 Ų139.181%0.80678%0.784SS**  -174.5148.996.1-134.3-39.7000113.5
366D32.7Very low30.1Very low151 Ų151137.5 Ų137.581%0.80779%0.785SS**  trans-25.9154.8167.8-78.2-58.3000121.9
367G28.6Very low30.3Very low75 Ų75142.4 Ų142.477%0.77379%0.794SS**  trans16492.4150.200000115.3
368S29.1Very low30.3Very low115 Ų115143 Ų14380%0.80479%0.791SS**  trans-53.7146.2166.7173.30000113
369I32.3Very low30.3Very low169 Ų169145.9 Ų145.987%0.86779%0.786SS**  trans-176.4150.1133.5-89.5151.5000111.1
370A29.8Very low30.2Very low86 Ų86143.8 Ų143.871%0.71178%0.78SS**  trans-72155.7-16300000118.2
371K31.5Very low29.9Very low197 Ų197145 Ų14586%0.85778%0.775SS**  trans31.1139.1137-87.1178.3177.11690121.8
372S30.2Very low30.1Very low98 Ų98147.5 Ų147.569%0.68578%0.779SS**  trans88.5114147.2-530000116.5
373F29.7Very low30.2Very low215 Ų215150.1 Ų150.194%0.94378%0.776SS**  trans-146.9130.3136.2-96.3-74.2000111.2
374E32.1Very low30.1Very low170 Ų170148.8 Ų148.879%0.79478%0.777SS**  trans-87.4178.5173.7-135.4-142.4-152.700110.4
375I29.5Very low30.2Very low144 Ų144148.9 Ų148.974%0.73878%0.778SS**  trans87.2122.3168.5-54.1141.8000113.3
376S29Very low30.5Very low109 Ų109144.9 Ų144.976%0.76277%0.769SS**  -163136.257.9-167.70000113.4
377K34.9Very low30.5Very low197 Ų197144.5 Ų144.586%0.85777%0.766SS**  trans-120.6111.6173.1-163.7-175.8-166.2179.20107.2
378H29.6Very low30.6Very low168 Ų168147.4 Ų147.478%0.77876%0.76SS**  trans-172138.6166.5-106.443.4000105.3
379R29.9Very low30.7Very low211 Ų211150.4 Ų150.480%0.79676%0.758SS**  cis-173.5153.825.4-154.7-176.3-161.1163.34102.8
380T30Very low30.7Very low107 Ų107148.2 Ų148.266%0.65676%0.758SS**  179.3135.455.7-45.30000108.1I382T380-I382 HydrophobicContact CG2-CG1 4.31Å
381Y26.3Very low31Very low185 Ų185151 Ų15173%0.72577%0.766SS**  trans-94.9130.9166-170-95.9000107.3E383Y381-E383 HydrophobicContact CD1-CB 4.28Å; Y381-E383 HydrophobicContact CE1-CB 3.6Å
382I32.3Very low31Very low157 Ų157146.5 Ų146.581%0.80577%0.765SS**  trans-130.8117159-67.5-167.8000107.7T380T380-I382 HydrophobicContact CG2-CG1 4.31Å
383E31.1Very low31.1Very low139 Ų139146.3 Ų146.365%0.6577%0.77SS**  trans-116.8124.7163.5-177.4-173.6-145.400105.7Y381Y381-E383 HydrophobicContact CD1-CB 4.28Å; Y381-E383 HydrophobicContact CE1-CB 3.6Å
384I29.2Very low31.2Very low163 Ų163145.4 Ų145.484%0.83677%0.768SS**  trans-145123.4149.8-62.2-172.1000108.2
385S30.7Very low31.2Very low97 Ų97146.8 Ų146.868%0.67877%0.772SS**  trans-88.9147.3172.2-176.90000111.6
386S31.9Very low31.4Very low90 Ų90147 Ų14763%0.62977%0.77SS**  124.6140.6125.486.40000118.8
387L32.5Very low31.9Very low142 Ų142147.7 Ų147.774%0.74377%0.771SS**  trans73.6132.8148.4-76.4147.5000116.2
388Q30.9Very low31.9Very low137 Ų137146.5 Ų146.564%0.6477%0.766SS**  cis-175.3140.632.9-156.3153.1-49.500111.4
389K31.7Very low32Very low178 Ų178145.3 Ų145.377%0.77477%0.771SS**  trans45.2128.1145.4-63.9174.8-173172.10121.6
390S31.8Very low32.3Very low123 Ų123144.5 Ų144.586%0.8677%0.773SS**  172.314595.1600000114.1
391V35.3Very low32.4Very low145 Ų145147.8 Ų147.888%0.87978%0.781SS**  trans-73.2140.7176.21700000112
392A32.8Very low32.8Very low101 Ų101146.3 Ų146.384%0.83579%0.785SS**  trans-164.9135.6142.800000111.2
393A33Very low32.9Very low95 Ų95141.9 Ų141.979%0.78578%0.778SS**  trans-83.3149.3-179.800000112.2
394E31.4Very low33.1Very low196 Ų196142.3 Ų142.392%0.91679%0.791SS**  trans-157.3155.7138.3-133.9173.4130.600113.7
395K30.8Very low33.7Very low199 Ų199138 Ų13887%0.86578%0.78SS**  trans-87.6162.2-155.4-67.4168.2173.5176.10113.2
396Q35.2Very low34.1Very low149 Ų149140.9 Ų140.970%0.69679%0.787SS**  trans-50.9167.5161.3-65.3-160.5-46.300112.9
397P38.1Very low34.5Very low122 Ų122143.8 Ų143.879%0.79280%0.796SS**  -134.6147.596.531.9-18000115.2
398K34.5Very low35Very low172 Ų172141.1 Ų141.175%0.74879%0.789SS**  trans-58147.8163-75.6166.7173169.20111.4
399T32.2Very low35.5Very low144 Ų144140.8 Ų140.888%0.88380%0.797SS**  trans-135.9110.4146.7-35.10000108.9
400K35.8Very low36.1Very low193 Ų193143.5 Ų143.584%0.83982%0.82SS**  trans-95.6132.6156.2-89.8-175.7172.9-175.10105.8
401H32.7Very low36.3Very low176 Ų176144.6 Ų144.682%0.81582%0.818SS**  -171.8143.4118.3-122.9-70.2000113.6
402N35.9Very low36.4Very low154 Ų154144.5 Ų144.582%0.82482%0.815SS**  trans-57.4159.4174.7-64.3-19.6000115.6
403G33.3Very low36.6Very low64 Ų64146.9 Ų146.966%0.6681%0.813SS**  trans174.288.7153.400000109.3
404T35.8Very low36.8Very low149 Ų149150 Ų15091%0.91482%0.815SS**  81.7134.498.1-52.10000113.1
405A40.4Very low37.1Very low72 Ų72147.1 Ų147.160%0.59581%0.809SS**  trans-86163.3-168.800000113.8
406N40.7Very low37.5Very low157 Ų157143.7 Ų143.784%0.8481%0.805SS**  trans84.6112148.3-53.1-17.9000119.9
407D40.3Very low37.7Very low151 Ų151143.3 Ų143.381%0.80781%0.813SS**  -171.9111.3123.4-121.1-9.7000107.2
408S41.3Very low37.7Very low86 Ų86144.9 Ų144.960%0.60181%0.814SS**  78.11358376.80000115
409T42.5Very low37.9Very low131 Ų131142.7 Ų142.780%0.80482%0.82SS**  trans64.7123.7171.839.40000116.4
410D44.1Very low38.4Very low235 Ų235142.5 Ų142.5100%1.25781%0.814SS**  cis-133029.6-87.5-43.7000113.7

Retrieved 410 of 410 residues in 145.7 ms (Link to these results)