A0A087YDW2_POEFO Loading...

Replication termination factor 2

AlphaFold DB , UniProt , Accession A0A087YDW2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 304 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M51Low64.8Low244 Ų244130.1 Ų130.1100%1.20277%0.766SS**  0118.60-65.5167-18000106.6
2G58.7Low65Low81 Ų81130.9 Ų130.984%0.83576%0.756SS**  trans-108.7116.4-173.500000111.3
3C51.9Low65.4Low130 Ų130129.4 Ų129.488%0.87874%0.738SS**  trans-130.938.2178-63.90000111.7G5C3-G5 PolarHBondContact O-N 3.48Å; C3-G5 VanDerWaalsContact O-N 3.08Å
4D61.7Low65.9Low159 Ų159129.9 Ų129.985%0.8574%0.737SS**  trans-83.572.3168.8-162.7-6.6000109.7G6D4-G6 PolarHBondContact O-N 3.45Å
5G58.6Low66.4Low65 Ų65127.1 Ų127.167%0.6772%0.723SS**  trans-75.474.2178.300000110.9C3 T7C3-G5 PolarHBondContact O-N 3.48Å; C3-G5 VanDerWaalsContact O-N 3.08Å; G5-T7 PolarHBondContact O-N 3.26Å; G5-T7 VanDerWaalsContact O-N 3.08Å
6G66.7Low66.8Low58 Ų58131.7 Ų131.760%0.59873%0.732SS**  trans-44.2114.7-177.800000112.2D4 I8D4-G6 PolarHBondContact O-N 3.45Å; G6-I8 PolarHBondContact O-N 3.48Å
7T70.7Confident67.1Low126 Ų126127.1 Ų127.177%0.77372%0.721SS**  trans-67.3108.6-171.2-58.70000109.8G5 P9G5-T7 PolarHBondContact O-N 3.26Å; G5-T7 VanDerWaalsContact O-N 3.08Å; T7-P9 WeakPolarHBondContact O-CD 3.29Å; T7-P9 VanDerWaalsContact O-N 3.14Å
8I75.6Confident67.4Low147 Ų147127.4 Ų127.475%0.75473%0.729SS**  trans-60.5114.6-179-58.8176.2000108.9G6 K10G6-I8 PolarHBondContact O-N 3.48Å; I8-K10 PolarHBondContact O-N 3.11Å
9P73.1Confident67.6Low76 Ų76128.6 Ų128.649%0.49473%0.725SS.*  trans-63.8130.5-176.5-23.435.1000111T7 E13 L14T7-P9 WeakPolarHBondContact O-CD 3.29Å; T7-P9 VanDerWaalsContact O-N 3.14Å; P9-E13 VanDerWaalsContact CA-OE2 3.23Å; P9-E13 WeakPolarHBondContact CA-OE2 3.45Å; P9-L14 HydrophobicContact CB-CD1 4.17Å
10K74.1Confident67.7Low127 Ų127131.6 Ų131.655%0.55273%0.73SS**  trans-76.2154.7-175-68.5170.7-174.8164.10110.2I8 H12 E13 L14I8-K10 PolarHBondContact O-N 3.11Å; K10-H12 PolarHBondContact O-N 3.37Å; K10-E13 PolarHBondContact N-OE2 3.43Å; K10-E13 WeakPolarHBondContact O-CB 3.36Å; K10-E13 PolarHBondContact O-N 3.2Å; K10-L14 PolarHBondContact O-N 3.09Å; K10-L14 VanDerWaalsContact O-N 3.14Å
11R70.2Confident67.8Low218 Ų218131.6 Ų131.682%0.82373%0.733SS**Hα-helixtrans-54.6-28-175.7-161.6179.9-168-178.25.6113.9V15R11-V15 HydrophobicContact CG-CG2 4.21Å; R11-V15 VanDerWaalsContact O-CB 3.26Å; R11-V15 WeakPolarHBondContact O-CB 3.48Å; R11-V15 WeakPolarHBondContact O-CG2 3.49Å; R11-V15 PolarHBondContact O-N 3.44Å
12H67.6Low68.8Low140 Ų140126.4 Ų126.465%0.64871%0.706SS**Hα-helixtrans-82-14.3177.660-104.8000114.7K10K10-H12 PolarHBondContact O-N 3.37Å
13E70.4Confident69.5Low111 Ų111131.4 Ų131.452%0.51971%0.705SS.*Hα-helixtrans-86.9-41.1170.5-63.4153.2-169.800109.5P9 K10P9-E13 VanDerWaalsContact CA-OE2 3.23Å; P9-E13 WeakPolarHBondContact CA-OE2 3.45Å; K10-E13 PolarHBondContact N-OE2 3.43Å; K10-E13 WeakPolarHBondContact O-CB 3.36Å; K10-E13 PolarHBondContact O-N 3.2Å
14L72.7Confident70.4Confident137 Ų137129.9 Ų129.972%0.71769%0.691SS**Hα-helixtrans-75.5-35.2-179.1-139.977000113.3P9 K10P9-L14 HydrophobicContact CB-CD1 4.17Å; K10-L14 PolarHBondContact O-N 3.09Å; K10-L14 VanDerWaalsContact O-N 3.14Å
15V73.8Confident71.4Confident87 Ų87128 Ų12853%0.52768%0.681SS.*SBendtrans-99.5109.1175.6-177.40000109R11 G17R11-V15 HydrophobicContact CG-CG2 4.21Å; R11-V15 VanDerWaalsContact O-CB 3.26Å; R11-V15 WeakPolarHBondContact O-CB 3.48Å; R11-V15 WeakPolarHBondContact O-CG2 3.49Å; R11-V15 PolarHBondContact O-N 3.44Å; V15-G17 PolarHBondContact O-N 2.94Å
16K71.4Confident72.6Confident201 Ų201132.3 Ų132.387%0.87468%0.681SS**  trans-58106.8168.4-71.1-179.3178.7177.30109.1
17G73.1Confident73.4Confident53 Ų53135.1 Ų135.155%0.54668%0.683SS.*PPolyproline II helixtrans-57.6157.9171.500000111.4V15 K19V15-G17 PolarHBondContact O-N 2.94Å; G17-K19 PolarHBondContact O-N 3.14Å
18P72.3Confident74.1Confident133 Ų133131.7 Ų131.786%0.86467%0.667SS**PPolyproline II helixtrans-53.8129.2178.423.7-33.8000109.7K20P18-K20 PolarHBondContact O-N 2.92Å
19K71.8Confident74.6Confident151 Ų151129 Ų12966%0.65765%0.651SS**PPolyproline II helixtrans-53.6117-174.9-171.2-169.1178.5-164.10108.3G17 V21 E22G17-K19 PolarHBondContact O-N 3.14Å; K19-V21 PolarHBondContact O-N 3.26Å; K19-E22 WeakPolarHBondContact CE-OE1 3.03Å; K19-E22 IonicContact NZ-OE1 2.68Å; K19-E22 PolarHBondContact NZ-OE1 2.99Å; K19-E22 IonicContact NZ-OE2 2.92Å; K19-E22 PolarHBondContact NZ-OE2 2.97Å
20K68.8Low75.3Confident187 Ų187128.5 Ų128.581%0.81364%0.644SS**PPolyproline II helixtrans-53.4116.7175.9-175.8178.3-177.7-179.80107.6P18 E22P18-K20 PolarHBondContact O-N 2.92Å; K20-E22 PolarHBondContact O-N 3.25Å
21V69.9Low75.9Confident133 Ų133123.7 Ų123.781%0.80663%0.628SS**PPolyproline II helixtrans-59.3116.2-178.5-177.10000107.6K19 K23K19-V21 PolarHBondContact O-N 3.26Å; V21-K23 PolarHBondContact O-N 3.13Å; V21-K23 VanDerWaalsContact O-N 3.09Å
22E71.5Confident76.8Confident135 Ų135115.5 Ų115.563%0.63161%0.607SS**  trans-63.3113.1179.7-81.2147.6-165.800108.1K19 K20 V24K19-E22 WeakPolarHBondContact CE-OE1 3.03Å; K19-E22 IonicContact NZ-OE1 2.68Å; K19-E22 PolarHBondContact NZ-OE1 2.99Å; K19-E22 IonicContact NZ-OE2 2.92Å; K19-E22 PolarHBondContact NZ-OE2 2.97Å; K20-E22 PolarHBondContact O-N 3.25Å; E22-V24 PolarHBondContact O-N 2.95Å
23K74.1Confident77.9Confident186 Ų186113 Ų11381%0.80959%0.594SS**  trans-7695.2-178.3-176179.6-176.7177.20107.8V21 D25V21-K23 PolarHBondContact O-N 3.13Å; V21-K23 VanDerWaalsContact O-N 3.09Å; K23-D25 PolarHBondContact O-N 3.44Å
24V70.3Confident78.8Confident97 Ų97108.6 Ų108.659%0.58857%0.573SS**  trans-46.2129.3179.5-175.10000110.2E22 K26 E29E22-V24 PolarHBondContact O-N 2.95Å; V24-K26 PolarHBondContact O-N 3.33Å; V24-E29 HydrophobicContact CG1-CG 4.07Å
25D82.8Confident79.6Confident120 Ų120105.4 Ų105.464%0.64255%0.553SS**  trans-65129.4-178.6-78-60000111.1K23 N27 A28 E29K23-D25 PolarHBondContact O-N 3.44Å; D25-N27 PolarHBondContact O-N 3.24Å; D25-N27 VanDerWaalsContact O-N 3.09Å; D25-A28 HydrophobicContact CB-CB 4.16Å; D25-A28 WeakPolarHBondContact O-CA 3.34Å; D25-A28 WeakPolarHBondContact O-CB 3.36Å; D25-A28 PolarHBondContact O-N 3.02Å; D25-E29 PolarHBondContact O-N 3.04Å
26K84.2Confident80.4Confident156 Ų156106 Ų10668%0.67855%0.547SS*.Hα-helixtrans-54.5-32.8177.2-64.1-178.3179-1790112V24 E29 L30V24-K26 PolarHBondContact O-N 3.33Å; K26-E29 WeakPolarHBondContact O-CB 3.27Å; K26-L30 VanDerWaalsContact O-CG 3.31Å; K26-L30 WeakPolarHBondContact O-CG 3.38Å; K26-L30 PolarHBondContact O-N 3.23Å
27N83.6Confident81.5Confident117 Ų11796.5 Ų96.563%0.62651%0.506SS*.Hα-helixtrans-70.6-36.9177.8-65.78.7000111.6D25 L30 A31D25-N27 PolarHBondContact O-N 3.24Å; D25-N27 VanDerWaalsContact O-N 3.09Å; N27-L30 PolarHBondContact O-N 3.45Å; N27-A31 WeakPolarHBondContact O-CB 3.34Å; N27-A31 PolarHBondContact O-N 3.38Å
28A84.8Confident82.4Confident54 Ų5495.8 Ų95.845%0.44650%0.495SS..Hα-helixtrans-70.2-41.7173.700000111.4D25 L30 A31 A32D25-A28 HydrophobicContact CB-CB 4.16Å; D25-A28 WeakPolarHBondContact O-CA 3.34Å; D25-A28 WeakPolarHBondContact O-CB 3.36Å; D25-A28 PolarHBondContact O-N 3.02Å; A28-L30 VanDerWaalsContact C-N 3.28Å; A28-L30 PolarHBondContact O-N 3.47Å; A28-A31 PolarHBondContact O-N 2.83Å; A28-A32 WeakPolarHBondContact O-CB 3.23Å; A28-A32 PolarHBondContact O-N 3.09Å
29E87.4Confident83.3Confident90 Ų9089.8 Ų89.842%0.42146%0.455SS..Hα-helixtrans-56.3-39.7171-91.4-160.4-134.100113.1V24 D25 K26 K33V24-E29 HydrophobicContact CG1-CG 4.07Å; D25-E29 PolarHBondContact O-N 3.04Å; K26-E29 WeakPolarHBondContact O-CB 3.27Å; E29-K33 WeakPolarHBondContact O-CD 3.2Å; E29-K33 VanDerWaalsContact O-CE 3.25Å; E29-K33 WeakPolarHBondContact O-CE 3.34Å; E29-K33 VanDerWaalsContact O-CG 3.28Å; E29-K33 WeakPolarHBondContact O-CG 3.49Å; E29-K33 PolarHBondContact O-N 2.69Å; E29-K33 IonicContact OE2-NZ 2.8Å; E29-K33 PolarHBondContact OE2-NZ 2.84Å
30L87.7Confident84.2Confident65 Ų6584.6 Ų84.634%0.3444%0.438SS..Hα-helixtrans-72-50.5176.3-73.6169.3000110.5K26 N27 A28 A32 K33 W34K26-L30 VanDerWaalsContact O-CG 3.31Å; K26-L30 WeakPolarHBondContact O-CG 3.38Å; K26-L30 PolarHBondContact O-N 3.23Å; N27-L30 PolarHBondContact O-N 3.45Å; A28-L30 VanDerWaalsContact C-N 3.28Å; A28-L30 PolarHBondContact O-N 3.47Å; L30-A32 PolarHBondContact O-N 3.14Å; L30-K33 PolarHBondContact O-N 3.29Å; L30-W34 PolarHBondContact O-N 2.94Å
31A86.4Confident85.2Confident26 Ų2681.9 Ų81.922%0.21543%0.428CS..Hα-helixtrans-54.4-39.3177.200000112.2N27 A28 W34 K35N27-A31 WeakPolarHBondContact O-CB 3.34Å; N27-A31 PolarHBondContact O-N 3.38Å; A28-A31 PolarHBondContact O-N 2.83Å; A31-W34 PolarHBondContact O-N 2.88Å; A31-K35 VanDerWaalsContact O-CB 3.3Å; A31-K35 WeakPolarHBondContact O-CB 3.37Å; A31-K35 WeakPolarHBondContact O-CG 3.25Å; A31-K35 PolarHBondContact O-N 3.25Å
32A88.6Confident86.2Confident46 Ų4679.8 Ų79.838%0.3841%0.41SS..Hα-helixtrans-56.5-51.5173.200000112.1A28 L30 W34 Y36A28-A32 WeakPolarHBondContact O-CB 3.23Å; A28-A32 PolarHBondContact O-N 3.09Å; L30-A32 PolarHBondContact O-N 3.14Å; A32-W34 VanDerWaalsContact C-N 3.27Å; A32-W34 PolarHBondContact O-N 2.89Å; A32-Y36 WeakPolarHBondContact O-CB 3.31Å; A32-Y36 PolarHBondContact O-N 2.83Å
33K89.9Confident87.1Confident88 Ų8877.4 Ų77.438%0.38340%0.397SS..Hα-helixtrans-64.1-26.3-177.8-66.4158.1-164.8156.50113.8E29 L30 N173E29-K33 WeakPolarHBondContact O-CD 3.2Å; E29-K33 VanDerWaalsContact O-CE 3.25Å; E29-K33 WeakPolarHBondContact O-CE 3.34Å; E29-K33 VanDerWaalsContact O-CG 3.28Å; E29-K33 WeakPolarHBondContact O-CG 3.49Å; E29-K33 PolarHBondContact O-N 2.69Å; E29-K33 IonicContact OE2-NZ 2.8Å; E29-K33 PolarHBondContact OE2-NZ 2.84Å; L30-K33 PolarHBondContact O-N 3.29Å; K33-N173 PolarHBondContact O-ND2 2.78Å
34W90.3Very high88Confident18 Ų1868.9 Ų68.97%0.06836%0.361CS..Hα-helixtrans-102.9-20.1-177.4-66.6101.3000114.7L30 A31 A32 L56 M128 G130 F134 L172 N173L30-W34 PolarHBondContact O-N 2.94Å; A31-W34 PolarHBondContact O-N 2.88Å; A32-W34 VanDerWaalsContact C-N 3.27Å; A32-W34 PolarHBondContact O-N 2.89Å; W34-L56 HydrophobicContact CE3-CD1 4.11Å; W34-L56 HydrophobicContact CZ3-CD1 4.48Å; W34-M128 HydrophobicContact CE3-CE 4.04Å; W34-M128 HydrophobicContact CE3-CG 3.58Å; W34-M128 HydrophobicContact CE3-SD 4.09Å; W34-M128 HydrophobicContact CZ3-CE 4.33Å; W34-M128 HydrophobicContact CZ3-CG 3.52Å; W34-M128 HydrophobicContact CZ3-SD 3.83Å; W34-G130 VanDerWaalsContact CD1-CA 3.41Å; W34-F134 HydrophobicContact CH2-CB 3.93Å; W34-F134 HydrophobicContact CH2-CD2 4.28Å; W34-F134 HydrophobicContact CZ3-CB 4.18Å; W34-F134 HydrophobicContact CZ3-CD2 4.48Å; W34-L172 HydrophobicContact CH2-CB 3.69Å; W34-L172 WeakPolarHBondContact CH2-O 3.42Å; W34-L172 HydrophobicContact CZ3-CB 3.92Å; W34-L172 HydrophobicContact CZ3-CD1 4.36Å; W34-N173 HydrophobicContact CH2-CB 4.18Å; W34-N173 HydrophobicContact CZ2-CB 3.67Å
35K89.3Confident89Confident71 Ų7172.3 Ų72.331%0.30936%0.363SS..Hα-helixtrans-106.1-14.2179.4-57.6-171.1-174.2-168.90113.7A31 K43 L44 I114A31-K35 VanDerWaalsContact O-CB 3.3Å; A31-K35 WeakPolarHBondContact O-CB 3.37Å; A31-K35 WeakPolarHBondContact O-CG 3.25Å; A31-K35 PolarHBondContact O-N 3.25Å; K35-K43 WeakPolarHBondContact O-CA 3.28Å; K35-L44 PolarHBondContact O-N 3.35Å; K35-I114 PolarHBondContact NZ-O 3.31Å
36Y91.4Very high89.3Confident98 Ų9872.6 Ų72.638%0.38436%0.355SS..BIsolated β-bridgetrans-129.4153.4-173.4-59.3-102000114.2A32 Q41 E42 K43A32-Y36 WeakPolarHBondContact O-CB 3.31Å; A32-Y36 PolarHBondContact O-N 2.83Å; Y36-Q41 VanDerWaalsContact CD1-O 3.26Å; Y36-Q41 WeakPolarHBondContact CD1-O 3.2Å; Y36-E42 CarbonylContact C-O 3.58Å; Y36-E42 WeakPolarHBondContact CA-O 3.28Å; Y36-E42 WeakPolarHBondContact CB-O 3.13Å; Y36-K43 HydrophobicContact CD1-CG 4.06Å; Y36-K43 HydrophobicContact CE1-CG 3.68Å
37C93.2Very high89.7Confident2 Ų267.8 Ų67.81%0.01434%0.34CS..  trans-69.5125.5178.2176.90000111.2L39 S40 Q41 E42 L44 N58C37-L39 PolarHBondContact O-N 3.17Å; C37-S40 WeakPolarHBondContact CB-OG 3.24Å; C37-S40 PolarHBondContact SG-N 2.86Å; C37-S40 PolarHBondContact SG-OG 2.77Å; C37-Q41 VanDerWaalsContact O-CA 3.29Å; C37-Q41 WeakPolarHBondContact O-CA 3.47Å; C37-Q41 PolarHBondContact O-N 2.92Å; C37-E42 PolarHBondContact N-O 3.44Å; C37-L44 HydrophobicContact CB-CD2 4.15Å; C37-N58 PolarHBondContact SG-N 2.88Å; C37-N58 VanDerWaalsContact SG-N 3.42Å
38A92.1Very high90.3Very high38 Ų3862.4 Ų62.431%0.31431%0.311SS..THydrogen-bonded Turntrans-68.5-6-178.300000114.8R55 L56 Y57 A78A38-R55 HydrophobicContact CB-CB 4.29Å; A38-L56 WeakPolarHBondContact CB-O 3.41Å; A38-L56 PolarHBondContact N-O 2.74Å; A38-Y57 HydrophobicContact CB-CD1 4.08Å; A38-Y57 HydrophobicContact CB-CE1 3.76Å; A38-A78 WeakPolarHBondContact O-CB 3.31Å
39L91.4Very high90.8Very high8 Ų860 Ų604%0.04229%0.29CS..THydrogen-bonded Turntrans-105-65.3173.9171.261.1000111.7C37 Y57 A61 I62 Y65 P74 N75 V79C37-L39 PolarHBondContact O-N 3.17Å; L39-Y57 HydrophobicContact CB-CD1 3.75Å; L39-Y57 HydrophobicContact CB-CE1 4.05Å; L39-A61 HydrophobicContact CD2-CB 4.42Å; L39-A61 VanDerWaalsContact CD2-O 3.27Å; L39-A61 WeakPolarHBondContact CD2-O 3.48Å; L39-I62 HydrophobicContact CD2-CG1 4.43Å; L39-Y65 HydrophobicContact CD1-CD2 3.87Å; L39-Y65 HydrophobicContact CD1-CE2 4.26Å; L39-Y65 HydrophobicContact CD2-CD2 4.07Å; L39-Y65 HydrophobicContact CD2-CG 4.02Å; L39-P74 WeakPolarHBondContact CD1-O 3.39Å; L39-N75 HydrophobicContact CD1-CB 4.47Å; L39-N75 PolarHBondContact O-ND2 2.59Å; L39-V79 HydrophobicContact CB-CG2 4.1Å; L39-V79 HydrophobicContact CD1-CG2 3.91Å; L39-V79 HydrophobicContact CD2-CG2 4.23Å; L39-V79 HydrophobicContact CG-CG2 4.29Å
40S90.2Very high91.2Very high42 Ų4255.7 Ų55.729%0.29427%0.27SS..THydrogen-bonded Turntrans-81.9-10.4-173.4600000114.4C37 E42C37-S40 WeakPolarHBondContact CB-OG 3.24Å; C37-S40 PolarHBondContact SG-N 2.86Å; C37-S40 PolarHBondContact SG-OG 2.77Å; S40-E42 VanDerWaalsContact CB-OE2 3.24Å; S40-E42 WeakPolarHBondContact CB-OE2 3.18Å; S40-E42 PolarHBondContact O-N 3.28Å; S40-E42 VanDerWaalsContact O-N 3.08Å; S40-E42 PolarHBondContact OG-OE2 3.47Å
41Q90.1Very high91.4Very high130 Ų13052.6 Ų52.661%0.60725%0.254SS*.  trans59.511.1-174.9-55.5-179.4-0.500114.7Y36 C37 N75Y36-Q41 VanDerWaalsContact CD1-O 3.26Å; Y36-Q41 WeakPolarHBondContact CD1-O 3.2Å; C37-Q41 VanDerWaalsContact O-CA 3.29Å; C37-Q41 WeakPolarHBondContact O-CA 3.47Å; C37-Q41 PolarHBondContact O-N 2.92Å; Q41-N75 PolarHBondContact NE2-ND2 2.95Å; Q41-N75 PolarHBondContact NE2-OD1 2.88Å
42E91.8Very high91.6Very high89 Ų8953 Ų5342%0.41625%0.251SS..SBendtrans-76.8163171.5-57.6169.1107.900111.7Y36 C37 S40Y36-E42 CarbonylContact C-O 3.58Å; Y36-E42 WeakPolarHBondContact CA-O 3.28Å; Y36-E42 WeakPolarHBondContact CB-O 3.13Å; C37-E42 PolarHBondContact N-O 3.44Å; S40-E42 VanDerWaalsContact CB-OE2 3.24Å; S40-E42 WeakPolarHBondContact CB-OE2 3.18Å; S40-E42 PolarHBondContact O-N 3.28Å; S40-E42 VanDerWaalsContact O-N 3.08Å; S40-E42 PolarHBondContact OG-OE2 3.47Å
43K90.9Very high91.7Very high85 Ų8550.9 Ų50.937%0.3723%0.234SC..BIsolated β-bridgetrans-59141.6171-68.4-175.9173.7-1740110.8K35 Y36 R45 N58 E102K35-K43 WeakPolarHBondContact O-CA 3.28Å; Y36-K43 HydrophobicContact CD1-CG 4.06Å; Y36-K43 HydrophobicContact CE1-CG 3.68Å; K43-R45 PolarHBondContact O-N 3.4Å; K43-N58 PolarHBondContact O-ND2 2.82Å; K43-E102 IonicContact NZ-OE1 2.62Å; K43-E102 PolarHBondContact NZ-OE1 3.18Å; K43-E102 IonicContact NZ-OE2 2.69Å; K43-E102 PolarHBondContact NZ-OE2 2.91Å
44L91.9Very high91.7Very high7 Ų746.7 Ų46.74%0.03722%0.216CC..PPolyproline II helixtrans-65.9130.9178-73.1173.7000111K35 C37 I48 L56 N58 M118K35-L44 PolarHBondContact O-N 3.35Å; C37-L44 HydrophobicContact CB-CD2 4.15Å; L44-I48 HydrophobicContact CB-CD1 3.92Å; L44-I48 HydrophobicContact CB-CG1 4.36Å; L44-I48 HydrophobicContact CD2-CG2 4.46Å; L44-L56 HydrophobicContact CD1-CB 3.91Å; L44-L56 HydrophobicContact CD1-CD1 3.84Å; L44-L56 HydrophobicContact CD2-CB 4.24Å; L44-N58 VanDerWaalsContact CA-OD1 3.29Å; L44-N58 WeakPolarHBondContact CA-OD1 3.44Å; L44-M118 WeakPolarHBondContact O-CE 3.29Å
45R90.6Very high91.9Very high169 Ų16949.6 Ų49.664%0.63823%0.227SC*.  trans-128.7148.1179-67179.4-179162.52.4110.1K43 P47 I48 N58K43-R45 PolarHBondContact O-N 3.4Å; R45-P47 CarbonylContact O-C 3.56Å; R45-P47 VanDerWaalsContact O-C 3.3Å; R45-I48 WeakPolarHBondContact O-CG1 3.43Å; R45-N58 PolarHBondContact N-OD1 2.71Å
46R89.4Confident92.1Very high126 Ų12646.2 Ų46.248%0.47521%0.212SC..SBendtrans-71.9138.5172.6-73.8-175.4167.3176.5-0.2110.2L93 D95R46-L93 PolarHBondContact NH2-O 2.99Å; R46-L93 VanDerWaalsContact NH2-O 3.11Å; R46-D95 VanDerWaalsContact CZ-CG 3.46Å; R46-D95 IonicContact CZ-OD1 2.77Å; R46-D95 IonicContact CZ-OD2 3.19Å; R46-D95 IonicContact NE-OD1 2.71Å; R46-D95 IonicContact NH1-OD1 3.69Å; R46-D95 PolarHBondContact NH1-OD1 3.17Å; R46-D95 IonicContact NH1-OD2 2.73Å; R46-D95 PolarHBondContact NH1-OD2 2.79Å; R46-D95 IonicContact NH2-OD1 3.64Å; R46-D95 PolarHBondContact NH2-OD1 2.79Å; R46-D95 IonicContact NH2-OD2 2.77Å; R46-D95 PolarHBondContact NH2-OD2 2.7Å
47P93.8Very high92.3Very high55 Ų5541.6 Ų41.636%0.35719%0.194SC..SBendcis-75.3128.7-2.228.4-32.5000113.6R45 K59R45-P47 CarbonylContact O-C 3.56Å; R45-P47 VanDerWaalsContact O-C 3.3Å; P47-K59 HydrophobicContact CB-CB 4.39Å; P47-K59 HydrophobicContact CB-CD 4.04Å; P47-K59 HydrophobicContact CG-CB 3.79Å; P47-K59 HydrophobicContact CG-CD 3.45Å; P47-K59 VanDerWaalsContact CG-CD 3.45Å; P47-K59 HydrophobicContact CG-CG 4.28Å; P47-K59 WeakPolarHBondContact O-CB 3.47Å; P47-K59 PolarHBondContact O-N 2.78Å
48I94.9Very high92.3Very high4 Ų441.8 Ų41.82%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-91.6139.9176.4-62.7172.8000108.7L44 R45 L56 L91 L93 F119L44-I48 HydrophobicContact CB-CD1 3.92Å; L44-I48 HydrophobicContact CB-CG1 4.36Å; L44-I48 HydrophobicContact CD2-CG2 4.46Å; R45-I48 WeakPolarHBondContact O-CG1 3.43Å; I48-L56 HydrophobicContact CG2-CD2 4.25Å; I48-L91 HydrophobicContact CG2-CD1 4.44Å; I48-L91 PolarHBondContact O-N 3.24Å; I48-L93 HydrophobicContact CB-CD1 4.08Å; I48-L93 HydrophobicContact CD1-CD1 3.75Å; I48-L93 HydrophobicContact CG1-CD1 4.46Å; I48-L93 HydrophobicContact CG2-CD1 4.2Å; I48-F119 HydrophobicContact CD1-CE2 3.39Å; I48-F119 HydrophobicContact CD1-CZ 3.55Å
49V95.5Very high92.4Very high2 Ų242.8 Ų42.81%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-126.8153.6178.9-50.60000112.1Y57 K59 I62 I88 K89 E90V49-Y57 PolarHBondContact N-O 2.96Å; V49-Y57 PolarHBondContact O-N 3.38Å; V49-K59 HydrophobicContact CG1-CB 3.8Å; V49-K59 HydrophobicContact CG1-CD 4.49Å; V49-K59 HydrophobicContact CG1-CG 3.93Å; V49-I62 HydrophobicContact CG2-CD1 3.84Å; V49-I88 HydrophobicContact CB-CG2 3.55Å; V49-I88 HydrophobicContact CG1-CG2 4.23Å; V49-I88 HydrophobicContact CG2-CG2 3.62Å; V49-K89 CarbonylContact C-O 3.55Å; V49-K89 VanDerWaalsContact CA-O 3.26Å; V49-K89 WeakPolarHBondContact CA-O 3.43Å; V49-K89 WeakPolarHBondContact CB-O 3.36Å; V49-E90 HydrophobicContact CG1-CG 3.74Å
50S95.1Very high92.5Very high0 Ų046.6 Ų46.60%021%0.212CC..EExtended strand (participates in β ladder)trans-124.9153.5172.359.70000112.3R55 I88 K89 L91 Y136S50-R55 VanDerWaalsContact CA-O 3.23Å; S50-R55 WeakPolarHBondContact CA-O 3.43Å; S50-R55 WeakPolarHBondContact CB-O 3.48Å; S50-I88 CarbonylContact O-C 3.47Å; S50-I88 WeakPolarHBondContact O-CA 3.19Å; S50-K89 PolarHBondContact N-O 3.03Å; S50-K89 PolarHBondContact O-N 3.26Å; S50-L91 VanDerWaalsContact OG-CD2 3.32Å; S50-L91 WeakPolarHBondContact OG-CD2 3.33Å; S50-Y136 WeakPolarHBondContact OG-CE1 3.34Å
51C92.9Very high92.7Very high0 Ų044.9 Ų44.90%020%0.201CC..EExtended strand (participates in β ladder)trans-94.9170171.668.40000112.1L53 G54 R55 Y57 H81 I82 Y136C51-L53 PolarHBondContact O-N 3.19Å; C51-L53 PolarHBondContact SG-N 3.47Å; C51-L53 VanDerWaalsContact SG-N 3.38Å; C51-G54 PolarHBondContact O-N 2.93Å; C51-R55 PolarHBondContact N-O 3.42Å; C51-Y57 HydrophobicContact CB-CE2 4.01Å; C51-H81 VanDerWaalsContact CB-NE2 3.28Å; C51-H81 WeakPolarHBondContact CB-NE2 3.34Å; C51-H81 PolarHBondContact SG-NE2 2.87Å; C51-I82 HydrophobicContact CB-CD1 3.89Å; C51-I82 HydrophobicContact CB-CG1 4.17Å; C51-Y136 PolarHBondContact O-OH 3.1Å
52E89.9Confident92.7Very high34 Ų3439 Ų3916%0.15917%0.173CC..THydrogen-bonded Turntrans-54.7-15.4172.4-63.7-177.3-114.200114.4M186 R190E52-M186 HydrophobicContact CB-CB 4.38Å; E52-M186 HydrophobicContact CB-CE 4.25Å; E52-M186 HydrophobicContact CB-CG 4.25Å; E52-M186 VanDerWaalsContact OE2-CG 3.28Å; E52-M186 WeakPolarHBondContact OE2-CG 3.46Å; E52-R190 IonicContact OE1-NE 3.97Å; E52-R190 IonicContact OE1-NH2 2.73Å
53L90.6Very high92.7Very high3 Ų337.9 Ų37.92%0.01617%0.17CC..THydrogen-bonded Turntrans-97.38174.9-57-173.4000114.5C51 R55 H81 L182 K183 M186C51-L53 PolarHBondContact O-N 3.19Å; C51-L53 PolarHBondContact SG-N 3.47Å; C51-L53 VanDerWaalsContact SG-N 3.38Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 2.94Å; L53-H81 HydrophobicContact CD1-CB 4.45Å; L53-L182 HydrophobicContact CD2-CB 3.89Å; L53-K183 HydrophobicContact CD1-CG 3.89Å; L53-K183 HydrophobicContact CD2-CB 4.2Å; L53-K183 HydrophobicContact CD2-CG 3.48Å; L53-K183 VanDerWaalsContact CD2-CG 3.48Å; L53-K183 HydrophobicContact CG-CG 4.36Å; L53-M186 HydrophobicContact CD1-CE 4Å; L53-M186 HydrophobicContact CD2-CE 3.45Å; L53-M186 VanDerWaalsContact CD2-CE 3.45Å; L53-M186 HydrophobicContact CG-CE 3.54Å
54G91.1Very high92.7Very high0 Ų039.3 Ų39.30%018%0.178CC..  trans71.713.5175.500000115.9C51 V171 L172 N173C51-G54 PolarHBondContact O-N 2.93Å; G54-V171 WeakPolarHBondContact CA-O 3.48Å; G54-L172 WeakPolarHBondContact O-CA 3.31Å; G54-N173 PolarHBondContact O-N 3.01Å
55R93.3Very high92.6Very high78 Ų7840.7 Ų40.729%0.29418%0.183SC..  trans-78.4146.2171.4-65.2173.2168.1169.4-8.5110.1A38 S50 C51 L53 Y57 E77 A78A38-R55 HydrophobicContact CB-CB 4.29Å; S50-R55 VanDerWaalsContact CA-O 3.23Å; S50-R55 WeakPolarHBondContact CA-O 3.43Å; S50-R55 WeakPolarHBondContact CB-O 3.48Å; C51-R55 PolarHBondContact N-O 3.42Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 2.94Å; R55-Y57 HydrophobicContact CB-CE2 3.58Å; R55-Y57 WeakPolarHBondContact CB-OH 3.32Å; R55-Y57 VanDerWaalsContact CD-OH 3.29Å; R55-Y57 WeakPolarHBondContact CD-OH 3.45Å; R55-Y57 WeakPolarHBondContact O-CD2 3.48Å; R55-Y57 WeakPolarHBondContact O-CE2 3.37Å; R55-E77 PolarHBondContact NH1-O 2.91Å; R55-A78 VanDerWaalsContact NH1-C 3.31Å; R55-A78 VanDerWaalsContact NH1-CA 3.29Å; R55-A78 PolarHBondContact NH1-O 3.33Å
56L94Very high92.5Very high1 Ų134 Ų341%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-99.7141.5179.7-62.9175.9000112.1W34 A38 L44 I48 L91 M128 L172W34-L56 HydrophobicContact CE3-CD1 4.11Å; W34-L56 HydrophobicContact CZ3-CD1 4.48Å; A38-L56 WeakPolarHBondContact CB-O 3.41Å; A38-L56 PolarHBondContact N-O 2.74Å; L44-L56 HydrophobicContact CD1-CB 3.91Å; L44-L56 HydrophobicContact CD1-CD1 3.84Å; L44-L56 HydrophobicContact CD2-CB 4.24Å; I48-L56 HydrophobicContact CG2-CD2 4.25Å; L56-L91 HydrophobicContact CD2-CD1 3.49Å; L56-L91 VanDerWaalsContact CD2-CD1 3.49Å; L56-M128 HydrophobicContact CD1-CE 4.28Å; L56-L172 HydrophobicContact CD2-CD1 4.35Å; L56-L172 HydrophobicContact CD2-CD2 3.84Å
57Y94.8Very high92.4Very high0 Ų034.2 Ų34.20%017%0.169CC..EExtended strand (participates in β ladder)trans-145.7157.3-179.3-50.3-96.5000111.6A38 L39 V49 C51 R55 I62 A78 V79 I82A38-Y57 HydrophobicContact CB-CD1 4.08Å; A38-Y57 HydrophobicContact CB-CE1 3.76Å; L39-Y57 HydrophobicContact CB-CD1 3.75Å; L39-Y57 HydrophobicContact CB-CE1 4.05Å; V49-Y57 PolarHBondContact N-O 2.96Å; V49-Y57 PolarHBondContact O-N 3.38Å; C51-Y57 HydrophobicContact CB-CE2 4.01Å; R55-Y57 HydrophobicContact CB-CE2 3.58Å; R55-Y57 WeakPolarHBondContact CB-OH 3.32Å; R55-Y57 VanDerWaalsContact CD-OH 3.29Å; R55-Y57 WeakPolarHBondContact CD-OH 3.45Å; R55-Y57 WeakPolarHBondContact O-CD2 3.48Å; R55-Y57 WeakPolarHBondContact O-CE2 3.37Å; Y57-I62 HydrophobicContact CD1-CD1 3.94Å; Y57-I62 HydrophobicContact CD1-CG1 4.28Å; Y57-I62 HydrophobicContact CD2-CD1 3.66Å; Y57-I62 HydrophobicContact CE2-CD1 4.27Å; Y57-I62 HydrophobicContact CG-CD1 3.46Å; Y57-I62 VanDerWaalsContact CG-CD1 3.46Å; Y57-I62 HydrophobicContact CG-CG1 4.18Å; Y57-A78 PolarHBondContact OH-O 3.19Å; Y57-V79 HydrophobicContact CE1-CG2 3.8Å; Y57-I82 HydrophobicContact CE2-CD1 4.37Å
58N94.9Very high91.9Very high6 Ų636 Ų363%0.03218%0.176CC..EExtended strand (participates in β ladder)trans-74.1138.4161.6-67.5-19.4000108.9C37 K43 L44 R45 D60 A61 I62C37-N58 PolarHBondContact SG-N 2.88Å; C37-N58 VanDerWaalsContact SG-N 3.42Å; K43-N58 PolarHBondContact O-ND2 2.82Å; L44-N58 VanDerWaalsContact CA-OD1 3.29Å; L44-N58 WeakPolarHBondContact CA-OD1 3.44Å; R45-N58 PolarHBondContact N-OD1 2.71Å; N58-D60 VanDerWaalsContact C-N 3.29Å; N58-D60 PolarHBondContact O-N 3.18Å; N58-A61 HydrophobicContact CB-CB 4.4Å; N58-I62 PolarHBondContact O-N 2.88Å
59K94.1Very high91Very high59 Ų5943.4 Ų43.426%0.25721%0.208SC..Hα-helixtrans-58.2-43.1179.4-168.3177.6-174.7174.50111.9P47 V49 I62 I63 E90P47-K59 HydrophobicContact CB-CB 4.39Å; P47-K59 HydrophobicContact CB-CD 4.04Å; P47-K59 HydrophobicContact CG-CB 3.79Å; P47-K59 HydrophobicContact CG-CD 3.45Å; P47-K59 VanDerWaalsContact CG-CD 3.45Å; P47-K59 HydrophobicContact CG-CG 4.28Å; P47-K59 WeakPolarHBondContact O-CB 3.47Å; P47-K59 PolarHBondContact O-N 2.78Å; V49-K59 HydrophobicContact CG1-CB 3.8Å; V49-K59 HydrophobicContact CG1-CD 4.49Å; V49-K59 HydrophobicContact CG1-CG 3.93Å; K59-I62 PolarHBondContact O-N 2.85Å; K59-I63 HydrophobicContact CG-CD1 3.91Å; K59-I63 WeakPolarHBondContact O-CG1 3.32Å; K59-I63 PolarHBondContact O-N 3.1Å; K59-E90 HydrophobicContact CD-CG 4.49Å; K59-E90 VanDerWaalsContact CE-CD 3.48Å; K59-E90 VanDerWaalsContact CE-OE1 3.25Å; K59-E90 WeakPolarHBondContact CE-OE1 3.12Å; K59-E90 WeakPolarHBondContact CE-OE2 3.49Å; K59-E90 IonicContact NZ-OE1 3.02Å; K59-E90 PolarHBondContact NZ-OE1 2.97Å; K59-E90 IonicContact NZ-OE2 3.55Å; K59-E90 PolarHBondContact NZ-OE2 2.95Å
60D93.5Very high89.9Confident88 Ų8846.3 Ų46.347%0.47123%0.228SC..Hα-helixtrans-66.2-52.4-171.4-44.5-46.2000111N58 I62 I63 E64N58-D60 VanDerWaalsContact C-N 3.29Å; N58-D60 PolarHBondContact O-N 3.18Å; D60-I62 PolarHBondContact O-N 3.13Å; D60-I62 VanDerWaalsContact O-N 3.12Å; D60-I63 WeakPolarHBondContact O-CA 3.25Å; D60-I63 WeakPolarHBondContact O-CB 3.35Å; D60-I63 PolarHBondContact O-N 2.8Å; D60-E64 WeakPolarHBondContact O-CG 3.12Å; D60-E64 PolarHBondContact O-N 3.33Å
61A92.6Very high88.2Confident7 Ų751.1 Ų51.16%0.05827%0.268CS..Hα-helixtrans-56.1-30.3174.800000113.7L39 N58 E64 Y65L39-A61 HydrophobicContact CD2-CB 4.42Å; L39-A61 VanDerWaalsContact CD2-O 3.27Å; L39-A61 WeakPolarHBondContact CD2-O 3.48Å; N58-A61 HydrophobicContact CB-CB 4.4Å; A61-E64 WeakPolarHBondContact CA-OE2 3.48Å; A61-Y65 WeakPolarHBondContact O-CB 3.26Å; A61-Y65 PolarHBondContact O-N 2.86Å; A61-Y65 VanDerWaalsContact O-N 3.15Å
62I91.4Very high86.8Confident5 Ų559.9 Ų59.93%0.02631%0.309CS..Hα-helixtrans-75.8-36.2174-102.2-178.1000112.2L39 V49 Y57 N58 K59 D60 L66 I82 I88L39-I62 HydrophobicContact CD2-CG1 4.43Å; V49-I62 HydrophobicContact CG2-CD1 3.84Å; Y57-I62 HydrophobicContact CD1-CD1 3.94Å; Y57-I62 HydrophobicContact CD1-CG1 4.28Å; Y57-I62 HydrophobicContact CD2-CD1 3.66Å; Y57-I62 HydrophobicContact CE2-CD1 4.27Å; Y57-I62 HydrophobicContact CG-CD1 3.46Å; Y57-I62 VanDerWaalsContact CG-CD1 3.46Å; Y57-I62 HydrophobicContact CG-CG1 4.18Å; N58-I62 PolarHBondContact O-N 2.88Å; K59-I62 PolarHBondContact O-N 2.85Å; D60-I62 PolarHBondContact O-N 3.13Å; D60-I62 VanDerWaalsContact O-N 3.12Å; I62-L66 HydrophobicContact CG2-CD1 4.26Å; I62-L66 WeakPolarHBondContact O-CB 3.35Å; I62-L66 VanDerWaalsContact O-CG 3.25Å; I62-L66 WeakPolarHBondContact O-CG 3.28Å; I62-L66 PolarHBondContact O-N 2.95Å; I62-I82 HydrophobicContact CD1-CD1 3.96Å; I62-I88 HydrophobicContact CD1-CD1 4.14Å; I62-I88 HydrophobicContact CD1-CG1 4.32Å; I62-I88 HydrophobicContact CG2-CD1 3.53Å
63I92.2Very high85.8Confident67 Ų6761.2 Ų61.234%0.34431%0.313SS..Hα-helixtrans-67.8-46.9176.1-70.8168.5000109.6K59 D60 L66 L67K59-I63 HydrophobicContact CG-CD1 3.91Å; K59-I63 WeakPolarHBondContact O-CG1 3.32Å; K59-I63 PolarHBondContact O-N 3.1Å; D60-I63 WeakPolarHBondContact O-CA 3.25Å; D60-I63 WeakPolarHBondContact O-CB 3.35Å; D60-I63 PolarHBondContact O-N 2.8Å; I63-L66 PolarHBondContact O-N 3.38Å; I63-L66 VanDerWaalsContact O-N 3.13Å; I63-L67 HydrophobicContact CG2-CD1 3.84Å; I63-L67 HydrophobicContact CG2-CG 4.39Å; I63-L67 WeakPolarHBondContact O-CG 3.29Å; I63-L67 PolarHBondContact O-N 2.89Å
64E90.6Very high84.7Confident114 Ų11465.7 Ų65.753%0.53334%0.342SS..Hα-helixtrans-52.6-55.7173.2-69.3166.4174.900110.8D60 A61 L66 L67 D68D60-E64 WeakPolarHBondContact O-CG 3.12Å; D60-E64 PolarHBondContact O-N 3.33Å; A61-E64 WeakPolarHBondContact CA-OE2 3.48Å; E64-L66 VanDerWaalsContact C-N 3.25Å; E64-L66 PolarHBondContact O-N 2.88Å; E64-L67 PolarHBondContact O-N 3.21Å; E64-D68 WeakPolarHBondContact O-CB 3.32Å; E64-D68 PolarHBondContact O-N 2.87Å
65Y88.9Confident83.9Confident36 Ų3668.9 Ų68.914%0.14136%0.359CS..Hα-helixtrans-58.6-31.8177.2177.8-79.8000114.4L39 A61 R73 V79L39-Y65 HydrophobicContact CD1-CD2 3.87Å; L39-Y65 HydrophobicContact CD1-CE2 4.26Å; L39-Y65 HydrophobicContact CD2-CD2 4.07Å; L39-Y65 HydrophobicContact CD2-CG 4.02Å; A61-Y65 WeakPolarHBondContact O-CB 3.26Å; A61-Y65 PolarHBondContact O-N 2.86Å; A61-Y65 VanDerWaalsContact O-N 3.15Å; Y65-R73 HydrophobicContact CE2-CB 4.16Å; Y65-R73 HydrophobicContact CE2-CG 4.24Å; Y65-R73 PolarHBondContact O-NH1 3.28Å; Y65-V79 HydrophobicContact CD1-CB 4.42Å; Y65-V79 HydrophobicContact CD1-CG1 3.6Å; Y65-V79 HydrophobicContact CE1-CB 3.87Å; Y65-V79 HydrophobicContact CE1-CG1 3.25Å; Y65-V79 HydrophobicContact CE2-CB 4.24Å; Y65-V79 HydrophobicContact CE2-CG1 4.41Å; Y65-V79 HydrophobicContact CG-CG1 4.35Å
66L88.7Confident83Confident29 Ų2967 Ų6715%0.15236%0.36CS..Hα-helixtrans-76.6-33.4177.2-80.3174.5000112.3I62 I63 E64 K69 I82 I85 I88I62-L66 HydrophobicContact CG2-CD1 4.26Å; I62-L66 WeakPolarHBondContact O-CB 3.35Å; I62-L66 VanDerWaalsContact O-CG 3.25Å; I62-L66 WeakPolarHBondContact O-CG 3.28Å; I62-L66 PolarHBondContact O-N 2.95Å; I63-L66 PolarHBondContact O-N 3.38Å; I63-L66 VanDerWaalsContact O-N 3.13Å; E64-L66 VanDerWaalsContact C-N 3.25Å; E64-L66 PolarHBondContact O-N 2.88Å; L66-K69 PolarHBondContact O-NZ 2.92Å; L66-I82 HydrophobicContact CD2-CG2 4.13Å; L66-I85 HydrophobicContact CD1-CG1 4.18Å; L66-I88 HydrophobicContact CD1-CD1 4.12Å
67L88.5Confident82.3Confident130 Ų13074.9 Ų74.968%0.68140%0.397SS*.Hα-helixtrans-74.2-53.4174.8-68.4169.7000110.7I63 E64 K69I63-L67 HydrophobicContact CG2-CD1 3.84Å; I63-L67 HydrophobicContact CG2-CG 4.39Å; I63-L67 WeakPolarHBondContact O-CG 3.29Å; I63-L67 PolarHBondContact O-N 2.89Å; E64-L67 PolarHBondContact O-N 3.21Å; L67-K69 PolarHBondContact O-N 3.4Å
68D83.4Confident81.5Confident93 Ų9375.4 Ų75.450%0.49740%0.401SS..  trans-59124.4-178.9-76.1-26.3000110.8E64 R73E64-D68 WeakPolarHBondContact O-CB 3.32Å; E64-D68 PolarHBondContact O-N 2.87Å; D68-R73 VanDerWaalsContact O-CZ 3.32Å; D68-R73 PolarHBondContact O-NH1 2.7Å; D68-R73 PolarHBondContact O-NH2 3.13Å
69K74.4Confident81Confident159 Ų15975.1 Ų75.169%0.69140%0.4SS*.  trans-105.88.6176.5-110.770.6-157.6177.80114.2L66 L67L66-K69 PolarHBondContact O-NZ 2.92Å; L67-K69 PolarHBondContact O-N 3.4Å
70S73.5Confident80.5Confident63 Ų6377.1 Ų77.144%0.44142%0.417SS..  trans-57.2158.5173.453.60000113.4R73S70-R73 PolarHBondContact O-NE 2.82Å; S70-R73 PolarHBondContact O-NH2 3.27Å
71A59.8Low80.2Confident101 Ų10173.8 Ų73.884%0.83540%0.398SS*.SBendtrans-86.5-33.117800000112.8R73A71-R73 PolarHBondContact O-N 2.9Å; A71-R73 VanDerWaalsContact O-N 3.11Å
72E63.1Low80.1Confident185 Ų18574 Ų7486%0.86440%0.398SS*.  trans-78.893.4176.4-67.6-175.3-167.400110.1
73R68.4Low79.9Confident62 Ų6283.2 Ų83.223%0.23443%0.433CS..  trans-119.4112.7-179.2-67176.1-175.5-102.3-2.8110.6Y65 D68 S70 A71 N75 A76Y65-R73 HydrophobicContact CE2-CB 4.16Å; Y65-R73 HydrophobicContact CE2-CG 4.24Å; Y65-R73 PolarHBondContact O-NH1 3.28Å; D68-R73 VanDerWaalsContact O-CZ 3.32Å; D68-R73 PolarHBondContact O-NH1 2.7Å; D68-R73 PolarHBondContact O-NH2 3.13Å; S70-R73 PolarHBondContact O-NE 2.82Å; S70-R73 PolarHBondContact O-NH2 3.27Å; A71-R73 PolarHBondContact O-N 2.9Å; A71-R73 VanDerWaalsContact O-N 3.11Å; R73-N75 PolarHBondContact O-N 3.02Å; R73-A76 HydrophobicContact CB-CB 4.09Å
74P68.2Low79.7Confident97 Ų9781 Ų8163%0.6343%0.427SS*.THydrogen-bonded Turntrans-60139.9171.126.6-33.5000109.8L39 A76L39-P74 WeakPolarHBondContact CD1-O 3.39Å; P74-A76 VanDerWaalsContact C-N 3.27Å; P74-A76 PolarHBondContact O-N 3.07Å; P74-A76 VanDerWaalsContact O-N 3.14Å
75N72.7Confident79.7Confident67 Ų6781.8 Ų81.836%0.35843%0.433SS..THydrogen-bonded Turntrans51.336.4176-57.6-47.8000115.1L39 Q41 R73 E77 A78L39-N75 HydrophobicContact CD1-CB 4.47Å; L39-N75 PolarHBondContact O-ND2 2.59Å; Q41-N75 PolarHBondContact NE2-ND2 2.95Å; Q41-N75 PolarHBondContact NE2-OD1 2.88Å; R73-N75 PolarHBondContact O-N 3.02Å; N75-E77 PolarHBondContact O-N 2.84Å; N75-E77 VanDerWaalsContact O-N 3.11Å; N75-A78 HydrophobicContact CB-CB 4.16Å; N75-A78 WeakPolarHBondContact O-CA 3.47Å; N75-A78 WeakPolarHBondContact O-CB 3.29Å; N75-A78 PolarHBondContact O-N 3Å
76A75.6Confident79.8Confident37 Ų3789.5 Ų89.531%0.30647%0.468SS..Hα-helixtrans-52.1-37.1179.700000113.6R73 P74 A78 V79 T80R73-A76 HydrophobicContact CB-CB 4.09Å; P74-A76 VanDerWaalsContact C-N 3.27Å; P74-A76 PolarHBondContact O-N 3.07Å; P74-A76 VanDerWaalsContact O-N 3.14Å; A76-A78 PolarHBondContact O-N 3.05Å; A76-A78 VanDerWaalsContact O-N 3.16Å; A76-V79 PolarHBondContact O-N 2.67Å; A76-T80 WeakPolarHBondContact O-CG2 3.47Å; A76-T80 PolarHBondContact O-N 2.66Å
77E78.9Confident79.8Confident167 Ų16789.3 Ų89.378%0.7847%0.467SS*.Hα-helixtrans-55.7-26.1172.6-63.5-171.8-172.700114.4R55 N75 V79R55-E77 PolarHBondContact NH1-O 2.91Å; N75-E77 PolarHBondContact O-N 2.84Å; N75-E77 VanDerWaalsContact O-N 3.11Å; E77-V79 VanDerWaalsContact C-N 3.26Å; E77-V79 PolarHBondContact O-N 2.85Å
78A78.8Confident80Confident12 Ų1284.1 Ų84.110%0.09944%0.44CS..Hα-helixtrans-68.9-26.1175.700000112.1A38 R55 Y57 N75 A76 H81A38-A78 WeakPolarHBondContact O-CB 3.31Å; R55-A78 VanDerWaalsContact NH1-C 3.31Å; R55-A78 VanDerWaalsContact NH1-CA 3.29Å; R55-A78 PolarHBondContact NH1-O 3.33Å; Y57-A78 PolarHBondContact OH-O 3.19Å; N75-A78 HydrophobicContact CB-CB 4.16Å; N75-A78 WeakPolarHBondContact O-CA 3.47Å; N75-A78 WeakPolarHBondContact O-CB 3.29Å; N75-A78 PolarHBondContact O-N 3Å; A76-A78 PolarHBondContact O-N 3.05Å; A76-A78 VanDerWaalsContact O-N 3.16Å; A78-H81 PolarHBondContact O-CE1 3.33Å; A78-H81 VanDerWaalsContact O-CE1 3.3Å
79V83.2Confident80.6Confident0 Ų082.3 Ų82.30%043%0.427CS..Hα-helixtrans-126.1-6.4-164.2-173.60000113.9L39 Y57 Y65 A76 E77 H81 I82L39-V79 HydrophobicContact CB-CG2 4.1Å; L39-V79 HydrophobicContact CD1-CG2 3.91Å; L39-V79 HydrophobicContact CD2-CG2 4.23Å; L39-V79 HydrophobicContact CG-CG2 4.29Å; Y57-V79 HydrophobicContact CE1-CG2 3.8Å; Y65-V79 HydrophobicContact CD1-CB 4.42Å; Y65-V79 HydrophobicContact CD1-CG1 3.6Å; Y65-V79 HydrophobicContact CE1-CB 3.87Å; Y65-V79 HydrophobicContact CE1-CG1 3.25Å; Y65-V79 HydrophobicContact CE2-CB 4.24Å; Y65-V79 HydrophobicContact CE2-CG1 4.41Å; Y65-V79 HydrophobicContact CG-CG1 4.35Å; A76-V79 PolarHBondContact O-N 2.67Å; E77-V79 VanDerWaalsContact C-N 3.26Å; E77-V79 PolarHBondContact O-N 2.85Å; V79-H81 PolarHBondContact O-N 3.16Å; V79-I82 HydrophobicContact CG1-CB 3.9Å; V79-I82 HydrophobicContact CG1-CD1 3.88Å; V79-I82 HydrophobicContact CG1-CG1 4.44Å; V79-I82 HydrophobicContact CG1-CG2 4.37Å; V79-I82 PolarHBondContact O-N 2.83Å
80T85Confident81.6Confident100 Ų10079.2 Ų79.261%0.61342%0.415SS*.THydrogen-bonded Turntrans-41.1-28.3178.950.50000117.8A76A76-T80 WeakPolarHBondContact O-CG2 3.47Å; A76-T80 PolarHBondContact O-N 2.66Å
81H87.3Confident82.6Confident18 Ų1877 Ų778%0.08340%0.398CS..THydrogen-bonded Turntrans-86.4-24.5-178.359.8-75.1000113.4C51 L53 A78 V79 M186 R190C51-H81 VanDerWaalsContact CB-NE2 3.28Å; C51-H81 WeakPolarHBondContact CB-NE2 3.34Å; C51-H81 PolarHBondContact SG-NE2 2.87Å; L53-H81 HydrophobicContact CD1-CB 4.45Å; A78-H81 PolarHBondContact O-CE1 3.33Å; A78-H81 VanDerWaalsContact O-CE1 3.3Å; V79-H81 PolarHBondContact O-N 3.16Å; H81-M186 HydrophobicContact CB-CE 3.69Å; H81-M186 HydrophobicContact CB-SD 4.14Å; H81-R190 VanDerWaalsContact O-CZ 3.28Å; H81-R190 PolarHBondContact O-NH1 3.35Å; H81-R190 PolarHBondContact O-NH2 3.01Å
82I89.8Confident84.2Confident11 Ų1176 Ų766%0.05638%0.379CS..  trans-78.2130.1175.3-68.8160.3000108.7C51 Y57 I62 L66 V79 D87 I88C51-I82 HydrophobicContact CB-CD1 3.89Å; C51-I82 HydrophobicContact CB-CG1 4.17Å; Y57-I82 HydrophobicContact CE2-CD1 4.37Å; I62-I82 HydrophobicContact CD1-CD1 3.96Å; L66-I82 HydrophobicContact CD2-CG2 4.13Å; V79-I82 HydrophobicContact CG1-CB 3.9Å; V79-I82 HydrophobicContact CG1-CD1 3.88Å; V79-I82 HydrophobicContact CG1-CG1 4.44Å; V79-I82 HydrophobicContact CG1-CG2 4.37Å; V79-I82 PolarHBondContact O-N 2.83Å; I82-D87 HydrophobicContact CG1-CB 4.37Å; I82-D87 HydrophobicContact CG2-CB 4.5Å; I82-I88 HydrophobicContact CD1-CD1 4.4Å; I82-I88 HydrophobicContact CD1-CG1 4.02Å; I82-I88 HydrophobicContact CG1-CG1 4.09Å; I82-I88 HydrophobicContact CG2-CD1 3.61Å; I82-I88 HydrophobicContact CG2-CG1 4.05Å
83R86.6Confident85.5Confident199 Ų19967.9 Ų67.975%0.75134%0.342SS*.  trans-119.4-21.3178.4-59.6-178.6-179.5-135.8-5.1112D87R83-D87 WeakPolarHBondContact CA-OD2 3.48Å; R83-D87 PolarHBondContact N-OD2 2.89Å
84G88.8Confident86.6Confident22 Ų2266.8 Ų66.823%0.22734%0.342CS..SBendtrans-171.7-176.717000000112.3K86 D87G84-K86 PolarHBondContact O-N 2.94Å; G84-D87 PolarHBondContact N-OD2 3.46Å; G84-D87 PolarHBondContact O-N 3.38Å
85I90.7Very high87.5Confident129 Ų12966 Ų6666%0.66233%0.332SS*.G310 helixtrans-54.8-23.4-173.7-55.3168.7000113.1L66 D87 I88L66-I85 HydrophobicContact CD1-CG1 4.18Å; I85-D87 VanDerWaalsContact C-N 3.34Å; I85-D87 PolarHBondContact O-N 2.94Å; I85-I88 PolarHBondContact O-N 3.15Å
86K89.6Confident88.2Confident198 Ų19863.2 Ų63.286%0.86132%0.317SS*.G310 helixtrans-74.6-17.8179.6-61-171.9179.6-1730114.9G84 I88G84-K86 PolarHBondContact O-N 2.94Å; K86-I88 PolarHBondContact O-N 2.98Å
87D89.8Confident88.5Confident25 Ų2567.1 Ų67.113%0.13434%0.34CS..G310 helixtrans-86.87.2177.6-49.8-61.4000112.1I82 R83 G84 I85 R190I82-D87 HydrophobicContact CG1-CB 4.37Å; I82-D87 HydrophobicContact CG2-CB 4.5Å; R83-D87 WeakPolarHBondContact CA-OD2 3.48Å; R83-D87 PolarHBondContact N-OD2 2.89Å; G84-D87 PolarHBondContact N-OD2 3.46Å; G84-D87 PolarHBondContact O-N 3.38Å; I85-D87 VanDerWaalsContact C-N 3.34Å; I85-D87 PolarHBondContact O-N 2.94Å; D87-R190 IonicContact OD1-CZ 3.19Å; D87-R190 IonicContact OD1-NE 2.81Å; D87-R190 IonicContact OD1-NH2 3.72Å; D87-R190 PolarHBondContact OD1-NH2 2.87Å; D87-R190 IonicContact OD2-NH2 2.85Å
88I93.3Very high88.5Confident22 Ų2266.2 Ų66.211%0.11334%0.335CS..EExtended strand (participates in β ladder)trans-132.6146.1-168.3-61.9152.2000108.7V49 S50 I62 L66 I82 I85 K86V49-I88 HydrophobicContact CB-CG2 3.55Å; V49-I88 HydrophobicContact CG1-CG2 4.23Å; V49-I88 HydrophobicContact CG2-CG2 3.62Å; S50-I88 CarbonylContact O-C 3.47Å; S50-I88 WeakPolarHBondContact O-CA 3.19Å; I62-I88 HydrophobicContact CD1-CD1 4.14Å; I62-I88 HydrophobicContact CD1-CG1 4.32Å; I62-I88 HydrophobicContact CG2-CD1 3.53Å; L66-I88 HydrophobicContact CD1-CD1 4.12Å; I82-I88 HydrophobicContact CD1-CD1 4.4Å; I82-I88 HydrophobicContact CD1-CG1 4.02Å; I82-I88 HydrophobicContact CG1-CG1 4.09Å; I82-I88 HydrophobicContact CG2-CD1 3.61Å; I82-I88 HydrophobicContact CG2-CG1 4.05Å; I85-I88 PolarHBondContact O-N 3.15Å; K86-I88 PolarHBondContact O-N 2.98Å
89K95.2Very high88.4Confident54 Ų5469.9 Ų69.924%0.23535%0.347CS..EExtended strand (participates in β ladder)trans-127.8133.9175.8-171.467.6177.3-162.10110.5V49 S50 Y136 Q138 T139 G141V49-K89 CarbonylContact C-O 3.55Å; V49-K89 VanDerWaalsContact CA-O 3.26Å; V49-K89 WeakPolarHBondContact CA-O 3.43Å; V49-K89 WeakPolarHBondContact CB-O 3.36Å; S50-K89 PolarHBondContact N-O 3.03Å; S50-K89 PolarHBondContact O-N 3.26Å; K89-Y136 HydrophobicContact CB-CE2 3.91Å; K89-Y136 HydrophobicContact CG-CD2 4.4Å; K89-Y136 HydrophobicContact CG-CE2 4.01Å; K89-Q138 WeakPolarHBondContact CE-O 3.31Å; K89-Q138 PolarHBondContact NZ-O 3.16Å; K89-T139 PolarHBondContact NZ-O 3.2Å; K89-G141 VanDerWaalsContact CE-N 3.34Å
90E95.8Very high87.5Confident94 Ų9475.1 Ų75.144%0.43937%0.371SS..EExtended strand (participates in β ladder)trans-73.8132169.7-72176.8-11900110.1V49 K59V49-E90 HydrophobicContact CG1-CG 3.74Å; K59-E90 HydrophobicContact CD-CG 4.49Å; K59-E90 VanDerWaalsContact CE-CD 3.48Å; K59-E90 VanDerWaalsContact CE-OE1 3.25Å; K59-E90 WeakPolarHBondContact CE-OE1 3.12Å; K59-E90 WeakPolarHBondContact CE-OE2 3.49Å; K59-E90 IonicContact NZ-OE1 3.02Å; K59-E90 PolarHBondContact NZ-OE1 2.97Å; K59-E90 IonicContact NZ-OE2 3.55Å; K59-E90 PolarHBondContact NZ-OE2 2.95Å
91L94.9Very high86.6Confident16 Ų1671.5 Ų71.58%0.08435%0.354CS..  trans-96.2120.9-172.6-70.7-171.5000112.8I48 S50 L56 L93 Y136 G141 V143 L172I48-L91 HydrophobicContact CG2-CD1 4.44Å; I48-L91 PolarHBondContact O-N 3.24Å; S50-L91 VanDerWaalsContact OG-CD2 3.32Å; S50-L91 WeakPolarHBondContact OG-CD2 3.33Å; L56-L91 HydrophobicContact CD2-CD1 3.49Å; L56-L91 VanDerWaalsContact CD2-CD1 3.49Å; L91-L93 HydrophobicContact CB-CD1 4.18Å; L91-L93 HydrophobicContact CB-CG 4.13Å; L91-L93 PolarHBondContact O-N 3.08Å; L91-Y136 HydrophobicContact CD2-CD1 4.07Å; L91-Y136 HydrophobicContact CD2-CD2 3.72Å; L91-Y136 HydrophobicContact CD2-CE2 4.35Å; L91-Y136 HydrophobicContact CD2-CG 3.56Å; L91-G141 WeakPolarHBondContact CA-O 3.42Å; L91-V143 HydrophobicContact CB-CG2 4.04Å; L91-V143 HydrophobicContact CD1-CG2 4.09Å; L91-V143 HydrophobicContact CD2-CG2 3.88Å; L91-V143 HydrophobicContact CG-CG2 4.24Å; L91-L172 HydrophobicContact CD1-CD1 4.22Å; L91-L172 HydrophobicContact CD1-CD2 4.25Å
92N92.8Very high85.2Confident82 Ų8277.5 Ų77.544%0.43938%0.382SS..BIsolated β-bridgetrans-82.468.3172.7-77.8-49.3000110.4C140 G141N92-C140 PolarHBondContact ND2-O 2.63Å; N92-G141 PolarHBondContact N-O 3.49Å
93L91.1Very high83.5Confident14 Ų1488.6 Ų88.67%0.07342%0.423CS..  trans-70.5151.7173.3-71.7157.6000111.2R46 I48 L91 F119 M128 V143R46-L93 PolarHBondContact NH2-O 2.99Å; R46-L93 VanDerWaalsContact NH2-O 3.11Å; I48-L93 HydrophobicContact CB-CD1 4.08Å; I48-L93 HydrophobicContact CD1-CD1 3.75Å; I48-L93 HydrophobicContact CG1-CD1 4.46Å; I48-L93 HydrophobicContact CG2-CD1 4.2Å; L91-L93 HydrophobicContact CB-CD1 4.18Å; L91-L93 HydrophobicContact CB-CG 4.13Å; L91-L93 PolarHBondContact O-N 3.08Å; L93-F119 HydrophobicContact CB-CB 4.39Å; L93-F119 HydrophobicContact CB-CD1 3.79Å; L93-F119 HydrophobicContact CB-CE1 4.21Å; L93-F119 HydrophobicContact CB-CG 3.96Å; L93-F119 HydrophobicContact CD1-CD1 4.48Å; L93-F119 HydrophobicContact CD1-CD2 3.89Å; L93-F119 HydrophobicContact CD1-CE2 3.88Å; L93-F119 HydrophobicContact CD1-CG 4.18Å; L93-F119 HydrophobicContact CD1-CZ 4.2Å; L93-F119 HydrophobicContact CD2-CB 4Å; L93-F119 HydrophobicContact CD2-CD2 4.24Å; L93-F119 HydrophobicContact CD2-CG 4.07Å; L93-F119 HydrophobicContact CG-CD2 4.45Å; L93-F119 HydrophobicContact CG-CG 4.3Å; L93-M128 HydrophobicContact CD2-CE 3.81Å; L93-M128 HydrophobicContact CD2-SD 3.53Å; L93-M128 VanDerWaalsContact CD2-SD 3.53Å; L93-V143 HydrophobicContact CD2-CB 3.88Å; L93-V143 HydrophobicContact CD2-CG1 3.92Å; L93-V143 HydrophobicContact CD2-CG2 3.72Å; L93-V143 HydrophobicContact CG-CG2 3.99Å
94T90.4Very high81.9Confident39 Ų3985.4 Ų85.424%0.23941%0.411CS..EExtended strand (participates in β ladder)trans-107.5131.3173-49.50000108.1F119 I120 P122 K159T94-F119 CarbonylContact O-C 3.54Å; T94-F119 WeakPolarHBondContact O-CA 3.27Å; T94-F119 WeakPolarHBondContact O-CB 3.45Å; T94-I120 HydrophobicContact CG2-CG2 4.07Å; T94-I120 PolarHBondContact O-N 2.97Å; T94-P122 HydrophobicContact CG2-CB 4.46Å; T94-K159 WeakPolarHBondContact OG1-CE 3.46Å
95D88Confident80Confident80 Ų8089 Ų8943%0.42843%0.432SS..EExtended strand (participates in β ladder)trans-68.6144.2178.8-56.5-72.8000110.8R46 I120R46-D95 VanDerWaalsContact CZ-CG 3.46Å; R46-D95 IonicContact CZ-OD1 2.77Å; R46-D95 IonicContact CZ-OD2 3.19Å; R46-D95 IonicContact NE-OD1 2.71Å; R46-D95 IonicContact NH1-OD1 3.69Å; R46-D95 PolarHBondContact NH1-OD1 3.17Å; R46-D95 IonicContact NH1-OD2 2.73Å; R46-D95 PolarHBondContact NH1-OD2 2.79Å; R46-D95 IonicContact NH2-OD1 3.64Å; R46-D95 PolarHBondContact NH2-OD1 2.79Å; R46-D95 IonicContact NH2-OD2 2.77Å; R46-D95 PolarHBondContact NH2-OD2 2.7Å; D95-I120 WeakPolarHBondContact O-CG2 3.35Å
96N87.1Confident78.1Confident8 Ų887.7 Ų87.74%0.04343%0.431CS..  trans-79.8120.1170.1-177.72.8000109.3E98 W99 G117 M118 I120 E127N96-E98 PolarHBondContact O-N 3.11Å; N96-E98 WeakPolarHBondContact OD1-CB 3.45Å; N96-E98 PolarHBondContact OD1-N 3.2Å; N96-W99 HydrophobicContact CB-CB 3.97Å; N96-W99 WeakPolarHBondContact O-CB 3.49Å; N96-W99 PolarHBondContact O-N 3.19Å; N96-W99 VanDerWaalsContact O-N 3.1Å; N96-G117 WeakPolarHBondContact CB-O 3.17Å; N96-G117 PolarHBondContact ND2-O 3.04Å; N96-M118 PolarHBondContact N-O 2.85Å; N96-M118 VanDerWaalsContact N-O 3.16Å; N96-I120 HydrophobicContact CB-CB 4.18Å; N96-E127 PolarHBondContact ND2-OE1 3.15Å; N96-E127 VanDerWaalsContact ND2-OE1 3.14Å
97P81.9Confident76.4Confident119 Ų11987.3 Ų87.377%0.77343%0.429SS*.THydrogen-bonded Turntrans-65.9-21.1177.428.2-35.7000113.3W99P97-W99 VanDerWaalsContact C-N 3.31Å
98E78.1Confident74.6Confident148 Ų14889.5 Ų89.569%0.69246%0.457SS*.THydrogen-bonded Turntrans-81.6-10.2175.7-56.7-174162.700112.5N96 E100N96-E98 PolarHBondContact O-N 3.11Å; N96-E98 WeakPolarHBondContact OD1-CB 3.45Å; N96-E98 PolarHBondContact OD1-N 3.2Å; E98-E100 PolarHBondContact O-N 3.39Å
99W76.8Confident72.8Confident89 Ų8996.2 Ų96.234%0.33749%0.494SS..  trans-80.490.9178-178.8-121000111.3N96 P97 G101 C116 M118N96-W99 HydrophobicContact CB-CB 3.97Å; N96-W99 WeakPolarHBondContact O-CB 3.49Å; N96-W99 PolarHBondContact O-N 3.19Å; N96-W99 VanDerWaalsContact O-N 3.1Å; P97-W99 VanDerWaalsContact C-N 3.31Å; W99-G101 PolarHBondContact O-N 3.12Å; W99-C116 HydrophobicContact CE3-CB 4.08Å; W99-C116 HydrophobicContact CZ3-CB 4.23Å; W99-M118 HydrophobicContact CG-CB 4.29Å
100E65.5Low70.9Confident110 Ų110102.1 Ų102.151%0.51451%0.514SS..  trans-65.1-4.6177.6-53.1-169.7118.200114.2E98 R104E98-E100 PolarHBondContact O-N 3.39Å; E100-R104 IonicContact OE1-CZ 2.7Å; E100-R104 IonicContact OE1-NE 3.98Å; E100-R104 IonicContact OE1-NH1 2.65Å; E100-R104 PolarHBondContact OE1-NH1 3.24Å; E100-R104 IonicContact OE1-NH2 2.79Å; E100-R104 PolarHBondContact OE1-NH2 2.89Å; E100-R104 IonicContact OE2-CZ 3.11Å; E100-R104 IonicContact OE2-NE 3.48Å; E100-R104 PolarHBondContact OE2-NE 3.15Å; E100-R104 IonicContact OE2-NH1 2.61Å; E100-R104 PolarHBondContact OE2-NH1 2.88Å; E100-R104 IonicContact OE2-NH2 2.7Å
101G64.8Low69Low24 Ų24105.9 Ų105.925%0.24753%0.526CS..  trans74174.7175.200000114.5W99 R103W99-G101 PolarHBondContact O-N 3.12Å; G101-R103 PolarHBondContact O-N 3.42Å
102E59Low67.1Low145 Ų145111.5 Ų111.568%0.67855%0.551SS**THydrogen-bonded Turntrans-57.1-10.6177-15989.5-158.500113.9K43K43-E102 IonicContact NZ-OE1 2.62Å; K43-E102 PolarHBondContact NZ-OE1 3.18Å; K43-E102 IonicContact NZ-OE2 2.69Å; K43-E102 PolarHBondContact NZ-OE2 2.91Å
103R53.1Low65.6Low243 Ų243112.3 Ų112.392%0.91756%0.556SS**THydrogen-bonded Turntrans-85.4-15.8-166.9-138.1175.1-166.4161.33.8114.1G101 S105G101-R103 PolarHBondContact O-N 3.42Å; R103-S105 VanDerWaalsContact C-N 3.33Å; R103-S105 PolarHBondContact O-N 2.93Å; R103-S105 VanDerWaalsContact O-N 3.1Å
104R53.4Low64.3Low133 Ų133116 Ų11650%0.50258%0.575SS.*SBendtrans-83.381.4170.5-173.1165.3-68.4171.99.3109.8E100E100-R104 IonicContact OE1-CZ 2.7Å; E100-R104 IonicContact OE1-NE 3.98Å; E100-R104 IonicContact OE1-NH1 2.65Å; E100-R104 PolarHBondContact OE1-NH1 3.24Å; E100-R104 IonicContact OE1-NH2 2.79Å; E100-R104 PolarHBondContact OE1-NH2 2.89Å; E100-R104 IonicContact OE2-CZ 3.11Å; E100-R104 IonicContact OE2-NE 3.48Å; E100-R104 PolarHBondContact OE2-NE 3.15Å; E100-R104 IonicContact OE2-NH1 2.61Å; E100-R104 PolarHBondContact OE2-NH1 2.88Å; E100-R104 IonicContact OE2-NH2 2.7Å
105S48.3Very low63.1Low96 Ų96117 Ų11767%0.67158%0.576SS**  trans-47.5139.4174.9-177.40000112.2R103 K107R103-S105 VanDerWaalsContact C-N 3.33Å; R103-S105 PolarHBondContact O-N 2.93Å; R103-S105 VanDerWaalsContact O-N 3.1Å; S105-K107 VanDerWaalsContact C-N 3.35Å; S105-K107 PolarHBondContact O-N 3.42Å
106T51.8Low62.3Low102 Ų102114.1 Ų114.163%0.62656%0.563SS**  trans-65.879.9-171.532.90000113.2G108 E112T106-G108 VanDerWaalsContact C-N 3.26Å; T106-G108 PolarHBondContact O-N 2.99Å; T106-E112 HydrophobicContact CG2-CG 4.34Å; T106-E112 VanDerWaalsContact CG2-OE1 3.24Å; T106-E112 WeakPolarHBondContact CG2-OE1 3.49Å
107K53.2Low61.9Low191 Ų191113.9 Ų113.983%0.8356%0.562SS**  trans-72.778.9164.7-76.5-166.2173.1-171.40111.1S105 D109S105-K107 VanDerWaalsContact C-N 3.35Å; S105-K107 PolarHBondContact O-N 3.42Å; K107-D109 VanDerWaalsContact C-N 3.3Å; K107-D109 PolarHBondContact O-N 3.43Å
108G52.5Low62Low70 Ų70111.4 Ų111.472%0.72254%0.541SS*.SBendtrans61.6-68.3157.100000117.8T106T106-G108 VanDerWaalsContact C-N 3.26Å; T106-G108 PolarHBondContact O-N 2.99Å
109D56Low62.6Low164 Ų164104.7 Ų104.788%0.87751%0.509SS*.SBendtrans-106.96.2-152.7-49.3-52.9000113.9K107K107-D109 VanDerWaalsContact C-N 3.3Å; K107-D109 PolarHBondContact O-N 3.43Å
110R55.2Low63.4Low177 Ų177102.1 Ų102.167%0.66850%0.502SS*.  trans-101.3121.8173.1-70-167.4179.3-176.22.4110.5E112R110-E112 PolarHBondContact O-N 3.06Å
111Y54.8Low64.7Low173 Ų17396.9 Ų96.968%0.67848%0.477SS*.  trans-55.1120.3164.1-169.5-105.6000108.5D113Y111-D113 PolarHBondContact O-N 3.01Å; Y111-D113 VanDerWaalsContact O-N 3.12Å
112E56.1Low66Low134 Ų13498.5 Ų98.563%0.62648%0.483SS*.  trans-65.4111.5163.6-77-172.9-170.800107T106 R110 I114T106-E112 HydrophobicContact CG2-CG 4.34Å; T106-E112 VanDerWaalsContact CG2-OE1 3.24Å; T106-E112 WeakPolarHBondContact CG2-OE1 3.49Å; R110-E112 PolarHBondContact O-N 3.06Å; E112-I114 PolarHBondContact O-N 2.87Å
113D60.3Low67.4Low100 Ų10094.6 Ų94.654%0.53547%0.469SS..  trans-65.989.7165.7-96.5-57.7000108.4Y111 H115 C116Y111-D113 PolarHBondContact O-N 3.01Å; Y111-D113 VanDerWaalsContact O-N 3.12Å; D113-H115 PolarHBondContact O-N 3.3Å; D113-C116 HydrophobicContact CB-CB 4.2Å; D113-C116 WeakPolarHBondContact O-CB 3.47Å; D113-C116 PolarHBondContact O-N 2.95Å
114I63.3Low69.2Low91 Ų9185.3 Ų85.347%0.46744%0.44SS..THydrogen-bonded Turntrans-47.6-29.4175.1-67.6160.8000110.8K35 E112K35-I114 PolarHBondContact NZ-O 3.31Å; E112-I114 PolarHBondContact O-N 2.87Å
115H65Low70.9Confident59 Ų5981.1 Ų81.127%0.27344%0.438SS..THydrogen-bonded Turntrans-79.4-21.2-179.9-57.5-37.1000114.9D113 G117 N129 K131D113-H115 PolarHBondContact O-N 3.3Å; H115-G117 PolarHBondContact O-N 3.16Å; H115-G117 VanDerWaalsContact O-N 3.13Å; H115-N129 WeakPolarHBondContact O-CB 3.13Å; H115-N129 PolarHBondContact O-ND2 2.82Å; H115-K131 PolarHBondContact CD2-NZ 2.74Å; H115-K131 WeakPolarHBondContact CE1-CE 3.37Å; H115-K131 PolarHBondContact CE1-NZ 2.86Å; H115-K131 VanDerWaalsContact CG-CE 3.49Å; H115-K131 VanDerWaalsContact ND1-CE 3.28Å; H115-K131 WeakPolarHBondContact ND1-CE 3.23Å; H115-K131 PolarHBondContact ND1-NZ 2.8Å; H115-K131 PolarHBondContact NE2-NZ 3.45Å; H115-K131 VanDerWaalsContact NE2-NZ 3.1Å
116C72.4Confident72.9Confident21 Ų2177.9 Ų77.914%0.14241%0.413CS..  trans-59.5121.6-179-165.70000109.8W99 D113 E127W99-C116 HydrophobicContact CE3-CB 4.08Å; W99-C116 HydrophobicContact CZ3-CB 4.23Å; D113-C116 HydrophobicContact CB-CB 4.2Å; D113-C116 WeakPolarHBondContact O-CB 3.47Å; D113-C116 PolarHBondContact O-N 2.95Å; C116-E127 WeakPolarHBondContact CA-OE1 3.35Å
117G78Confident74.7Confident2 Ų275 Ų752%0.02139%0.392CS..  trans-94.5131.7-175.700000110.9N96 H115 F119 E127N96-G117 WeakPolarHBondContact CB-O 3.17Å; N96-G117 PolarHBondContact ND2-O 3.04Å; H115-G117 PolarHBondContact O-N 3.16Å; H115-G117 VanDerWaalsContact O-N 3.13Å; G117-F119 PolarHBondContact O-N 3.22Å; G117-F119 VanDerWaalsContact O-N 3.15Å; G117-E127 PolarHBondContact N-OE1 3.3Å
118M84.8Confident76.4Confident67 Ų6766.3 Ų66.333%0.3336%0.355SS..SBendtrans-61.2-21.6173.6-179.6157.367.500113.1L44 N96 W99L44-M118 WeakPolarHBondContact O-CE 3.29Å; N96-M118 PolarHBondContact N-O 2.85Å; N96-M118 VanDerWaalsContact N-O 3.16Å; W99-M118 HydrophobicContact CG-CB 4.29Å
119F90.9Very high77.9Confident8 Ų864 Ų644%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-131.1152.6-179.9-53.8-63.9000111.5I48 L93 T94 G117 M128I48-F119 HydrophobicContact CD1-CE2 3.39Å; I48-F119 HydrophobicContact CD1-CZ 3.55Å; L93-F119 HydrophobicContact CB-CB 4.39Å; L93-F119 HydrophobicContact CB-CD1 3.79Å; L93-F119 HydrophobicContact CB-CE1 4.21Å; L93-F119 HydrophobicContact CB-CG 3.96Å; L93-F119 HydrophobicContact CD1-CD1 4.48Å; L93-F119 HydrophobicContact CD1-CD2 3.89Å; L93-F119 HydrophobicContact CD1-CE2 3.88Å; L93-F119 HydrophobicContact CD1-CG 4.18Å; L93-F119 HydrophobicContact CD1-CZ 4.2Å; L93-F119 HydrophobicContact CD2-CB 4Å; L93-F119 HydrophobicContact CD2-CD2 4.24Å; L93-F119 HydrophobicContact CD2-CG 4.07Å; L93-F119 HydrophobicContact CG-CD2 4.45Å; L93-F119 HydrophobicContact CG-CG 4.3Å; T94-F119 CarbonylContact O-C 3.54Å; T94-F119 WeakPolarHBondContact O-CA 3.27Å; T94-F119 WeakPolarHBondContact O-CB 3.45Å; G117-F119 PolarHBondContact O-N 3.22Å; G117-F119 VanDerWaalsContact O-N 3.15Å; F119-M128 HydrophobicContact CB-CB 4.2Å; F119-M128 HydrophobicContact CB-CE 4.31Å; F119-M128 HydrophobicContact CD2-CE 3.72Å; F119-M128 HydrophobicContact CG-CE 4.44Å; F119-M128 WeakPolarHBondContact O-CB 3.47Å; F119-M128 PolarHBondContact O-N 3.19Å
120I92.8Very high79.2Confident34 Ų3456.9 Ų56.917%0.17429%0.291CS..EExtended strand (participates in β ladder)trans-129.2152.9-173.3-159.6170.9000111.1T94 D95 N96 G125 L126T94-I120 HydrophobicContact CG2-CG2 4.07Å; T94-I120 PolarHBondContact O-N 2.97Å; D95-I120 WeakPolarHBondContact O-CG2 3.35Å; N96-I120 HydrophobicContact CB-CB 4.18Å; I120-G125 WeakPolarHBondContact CD1-O 3.45Å; I120-G125 WeakPolarHBondContact CG1-O 3.37Å; I120-L126 CarbonylContact C-O 3.53Å; I120-L126 WeakPolarHBondContact CA-O 3.38Å
121C92.9Very high80.7Confident1 Ų154.3 Ų54.31%0.00729%0.285CS..  trans-74.7120.8169.9-178.40000109.8V123 G125 L126 F134 S145C121-V123 PolarHBondContact O-N 2.86Å; C121-G125 WeakPolarHBondContact O-CA 3.33Å; C121-G125 PolarHBondContact O-N 3.48Å; C121-L126 HydrophobicContact CB-CB 4.35Å; C121-L126 PolarHBondContact N-O 3.29Å; C121-F134 HydrophobicContact CB-CE1 3.88Å; C121-F134 HydrophobicContact CB-CZ 4.46Å; C121-S145 PolarHBondContact SG-N 3.07Å
122P91.4Very high82.4Confident57 Ų5748.6 Ų48.637%0.3726%0.264SS..THydrogen-bonded Turntrans-70.5-5.2-174.329-36.8000115T94 F144 K159T94-P122 HydrophobicContact CG2-CB 4.46Å; P122-F144 HydrophobicContact CG-CD1 4.11Å; P122-F144 HydrophobicContact CG-CE1 3.87Å; P122-K159 HydrophobicContact CG-CD 4.35Å
123V90Very high84Confident64 Ų6447.9 Ų47.939%0.38826%0.256SS..THydrogen-bonded Turntrans-106.9-44.8-179.9-179.80000111.8C121 F144 A148 V152 H158C121-V123 PolarHBondContact O-N 2.86Å; V123-F144 HydrophobicContact CG2-CD1 4.02Å; V123-F144 HydrophobicContact CG2-CE1 3.98Å; V123-A148 HydrophobicContact CB-CB 4.17Å; V123-A148 HydrophobicContact CG1-CB 4.35Å; V123-V152 HydrophobicContact CG1-CG2 4.44Å; V123-H158 HydrophobicContact CG2-CB 4.35Å
124V90.3Very high85.7Confident48 Ų4843.2 Ų43.229%0.29123%0.231SC..THydrogen-bonded Turntrans-110.9-1.7-169.7-165.50000112.3L126 A148V124-L126 HydrophobicContact CB-CD1 4.29Å; V124-L126 HydrophobicContact CB-CG 4.15Å; V124-L126 HydrophobicContact CG1-CD1 3.91Å; V124-L126 HydrophobicContact CG1-CG 3.89Å; V124-L126 PolarHBondContact O-N 2.85Å; V124-L126 VanDerWaalsContact O-N 3.11Å; V124-A148 HydrophobicContact CG2-CB 3.63Å
125G88.4Confident87.2Confident45 Ų4539 Ų3946%0.46421%0.209SC..  trans67.39.1-179.400000115I120 C121I120-G125 WeakPolarHBondContact CD1-O 3.45Å; I120-G125 WeakPolarHBondContact CG1-O 3.37Å; C121-G125 WeakPolarHBondContact O-CA 3.33Å; C121-G125 PolarHBondContact O-N 3.48Å
126L91.1Very high88.6Confident28 Ų2836.2 Ų36.215%0.14720%0.196CC..  trans-75.1135.6-178.8-62.1175.6000111.7I120 C121 V124 F134 R147I120-L126 CarbonylContact C-O 3.53Å; I120-L126 WeakPolarHBondContact CA-O 3.38Å; C121-L126 HydrophobicContact CB-CB 4.35Å; C121-L126 PolarHBondContact N-O 3.29Å; V124-L126 HydrophobicContact CB-CD1 4.29Å; V124-L126 HydrophobicContact CB-CG 4.15Å; V124-L126 HydrophobicContact CG1-CD1 3.91Å; V124-L126 HydrophobicContact CG1-CG 3.89Å; V124-L126 PolarHBondContact O-N 2.85Å; V124-L126 VanDerWaalsContact O-N 3.11Å; L126-F134 HydrophobicContact CB-CZ 4.38Å; L126-F134 WeakPolarHBondContact O-CZ 3.27Å; L126-R147 HydrophobicContact CD1-CB 4.46Å
127E90.2Very high89.6Confident42 Ų4235.2 Ų35.220%0.19619%0.19CC..BIsolated β-bridgetrans-75.8141.9179-56.1-167.6102.500113.7N96 C116 G117 N129 F134N96-E127 PolarHBondContact ND2-OE1 3.15Å; N96-E127 VanDerWaalsContact ND2-OE1 3.14Å; C116-E127 WeakPolarHBondContact CA-OE1 3.35Å; G117-E127 PolarHBondContact N-OE1 3.3Å; E127-N129 HydrophobicContact CB-CB 4.46Å; E127-N129 PolarHBondContact O-N 2.88Å; E127-N129 PolarHBondContact OE2-ND2 2.94Å; E127-F134 VanDerWaalsContact C-CZ 3.49Å; E127-F134 VanDerWaalsContact O-CE2 3.24Å; E127-F134 WeakPolarHBondContact O-CE2 3.44Å; E127-F134 WeakPolarHBondContact O-CZ 3.07Å
128M87.6Confident90.4Very high8 Ų837.3 Ų37.34%0.03920%0.199CC..SBendtrans-8461.7178.1-158.1178.880.800112.4W34 L56 L93 F119 F134 V143 L172W34-M128 HydrophobicContact CE3-CE 4.04Å; W34-M128 HydrophobicContact CE3-CG 3.58Å; W34-M128 HydrophobicContact CE3-SD 4.09Å; W34-M128 HydrophobicContact CZ3-CE 4.33Å; W34-M128 HydrophobicContact CZ3-CG 3.52Å; W34-M128 HydrophobicContact CZ3-SD 3.83Å; L56-M128 HydrophobicContact CD1-CE 4.28Å; L93-M128 HydrophobicContact CD2-CE 3.81Å; L93-M128 HydrophobicContact CD2-SD 3.53Å; L93-M128 VanDerWaalsContact CD2-SD 3.53Å; F119-M128 HydrophobicContact CB-CB 4.2Å; F119-M128 HydrophobicContact CB-CE 4.31Å; F119-M128 HydrophobicContact CD2-CE 3.72Å; F119-M128 HydrophobicContact CG-CE 4.44Å; F119-M128 WeakPolarHBondContact O-CB 3.47Å; F119-M128 PolarHBondContact O-N 3.19Å; M128-F134 HydrophobicContact CB-CD2 4.44Å; M128-F134 HydrophobicContact CB-CE1 4.12Å; M128-F134 HydrophobicContact CB-CE2 4.09Å; M128-F134 HydrophobicContact CB-CZ 3.92Å; M128-F134 HydrophobicContact CG-CD1 4.09Å; M128-F134 HydrophobicContact CG-CD2 3.86Å; M128-F134 HydrophobicContact CG-CE1 4.2Å; M128-F134 HydrophobicContact CG-CE2 4.02Å; M128-F134 HydrophobicContact CG-CG 3.92Å; M128-F134 HydrophobicContact CG-CZ 4.18Å; M128-F134 HydrophobicContact SD-CD1 4.44Å; M128-F134 HydrophobicContact SD-CG 4.49Å; M128-V143 HydrophobicContact SD-CG1 4.3Å; M128-L172 HydrophobicContact SD-CD1 4.47Å
129N83.9Confident90.7Very high21 Ų2136.9 Ų36.911%0.11220%0.2CC..SBendtrans-109.31-174.265.122000114.8H115 E127 K131H115-N129 WeakPolarHBondContact O-CB 3.13Å; H115-N129 PolarHBondContact O-ND2 2.82Å; E127-N129 HydrophobicContact CB-CB 4.46Å; E127-N129 PolarHBondContact O-N 2.88Å; E127-N129 PolarHBondContact OE2-ND2 2.94Å; N129-K131 VanDerWaalsContact OD1-CB 3.31Å; N129-K131 WeakPolarHBondContact OD1-CB 3.4Å; N129-K131 WeakPolarHBondContact OD1-CG 3.41Å; N129-K131 PolarHBondContact OD1-N 2.81Å
130G83.6Confident90.8Very high15 Ų1537 Ų3716%0.15520%0.202CC..SBendtrans84.5-1.6179.500000116.6W34W34-G130 VanDerWaalsContact CD1-CA 3.41Å
131K86.4Confident90.8Very high123 Ų12335.4 Ų35.454%0.53519%0.194SC..SBendtrans-70.5-36.8163.6-65.4179.7176.3177.50111.3H115 N129H115-K131 PolarHBondContact CD2-NZ 2.74Å; H115-K131 WeakPolarHBondContact CE1-CE 3.37Å; H115-K131 PolarHBondContact CE1-NZ 2.86Å; H115-K131 VanDerWaalsContact CG-CE 3.49Å; H115-K131 VanDerWaalsContact ND1-CE 3.28Å; H115-K131 WeakPolarHBondContact ND1-CE 3.23Å; H115-K131 PolarHBondContact ND1-NZ 2.8Å; H115-K131 PolarHBondContact NE2-NZ 3.45Å; H115-K131 VanDerWaalsContact NE2-NZ 3.1Å; N129-K131 VanDerWaalsContact OD1-CB 3.31Å; N129-K131 WeakPolarHBondContact OD1-CB 3.4Å; N129-K131 WeakPolarHBondContact OD1-CG 3.41Å; N129-K131 PolarHBondContact OD1-N 2.81Å
132H90.4Very high90.9Very high53 Ų5335.5 Ų35.525%0.24519%0.194CC..SBendtrans-103.3148.1179.3-55.4-63000110.9F134H132-F134 HydrophobicContact CB-CD2 4.49Å; H132-F134 HydrophobicContact CB-CE2 3.89Å; H132-F134 WeakPolarHBondContact O-CD2 3.29Å
133R91.5Very high91Very high118 Ų11833 Ų3345%0.44518%0.178SC..  trans-76.8129.6173.2-71.3167.1168.3-111.5-9.7109.2S145 D146 E178R133-S145 WeakPolarHBondContact O-CA 3.29Å; R133-D146 HydrophobicContact CB-CB 3.58Å; R133-D146 PolarHBondContact O-N 3.34Å; R133-E178 IonicContact CZ-OE1 3.93Å; R133-E178 IonicContact CZ-OE2 3.04Å; R133-E178 IonicContact NH1-OE1 3.8Å; R133-E178 PolarHBondContact NH1-OE1 2.99Å; R133-E178 IonicContact NH1-OE2 3.64Å; R133-E178 IonicContact NH2-OE1 3.66Å; R133-E178 PolarHBondContact NH2-OE1 2.92Å; R133-E178 IonicContact NH2-OE2 2.75Å
134F94.5Very high91.3Very high2 Ų230 Ų301%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-116.3157.6171.2-73.1-104.5000110.5W34 C121 L126 E127 M128 H132 V143 F144 L172W34-F134 HydrophobicContact CH2-CB 3.93Å; W34-F134 HydrophobicContact CH2-CD2 4.28Å; W34-F134 HydrophobicContact CZ3-CB 4.18Å; W34-F134 HydrophobicContact CZ3-CD2 4.48Å; C121-F134 HydrophobicContact CB-CE1 3.88Å; C121-F134 HydrophobicContact CB-CZ 4.46Å; L126-F134 HydrophobicContact CB-CZ 4.38Å; L126-F134 WeakPolarHBondContact O-CZ 3.27Å; E127-F134 VanDerWaalsContact C-CZ 3.49Å; E127-F134 VanDerWaalsContact O-CE2 3.24Å; E127-F134 WeakPolarHBondContact O-CE2 3.44Å; E127-F134 WeakPolarHBondContact O-CZ 3.07Å; M128-F134 HydrophobicContact CB-CD2 4.44Å; M128-F134 HydrophobicContact CB-CE1 4.12Å; M128-F134 HydrophobicContact CB-CE2 4.09Å; M128-F134 HydrophobicContact CB-CZ 3.92Å; M128-F134 HydrophobicContact CG-CD1 4.09Å; M128-F134 HydrophobicContact CG-CD2 3.86Å; M128-F134 HydrophobicContact CG-CE1 4.2Å; M128-F134 HydrophobicContact CG-CE2 4.02Å; M128-F134 HydrophobicContact CG-CG 3.92Å; M128-F134 HydrophobicContact CG-CZ 4.18Å; M128-F134 HydrophobicContact SD-CD1 4.44Å; M128-F134 HydrophobicContact SD-CG 4.49Å; H132-F134 HydrophobicContact CB-CD2 4.49Å; H132-F134 HydrophobicContact CB-CE2 3.89Å; H132-F134 WeakPolarHBondContact O-CD2 3.29Å; F134-V143 HydrophobicContact CB-CG1 4.41Å; F134-V143 HydrophobicContact CD1-CG1 4.11Å; F134-F144 CarbonylContact C-O 3.3Å; F134-F144 WeakPolarHBondContact CA-O 3.48Å; F134-F144 WeakPolarHBondContact CD1-O 3.46Å; F134-L172 HydrophobicContact CB-CB 4.45Å; F134-L172 HydrophobicContact CB-CD1 4.28Å; F134-L172 PolarHBondContact O-N 3.47Å
135C94.3Very high91.5Very high3 Ų327.8 Ų27.82%0.0215%0.147CC..EExtended strand (participates in β ladder)trans-146.6161.7178.756.70000109.1V143 F144 L149 I169 V170C135-V143 WeakPolarHBondContact O-CA 3.35Å; C135-F144 PolarHBondContact N-O 3.07Å; C135-F144 PolarHBondContact O-N 3.47Å; C135-F144 VanDerWaalsContact O-O 3.07Å; C135-L149 WeakPolarHBondContact SG-CD1 3.38Å; C135-I169 HydrophobicContact CB-CG2 3.82Å; C135-V170 CarbonylContact C-O 3.46Å; C135-V170 WeakPolarHBondContact CA-O 3.34Å; C135-V170 WeakPolarHBondContact CB-O 3.38Å
136Y95.1Very high91.6Very high0 Ų027.6 Ų27.60%014%0.135CC..EExtended strand (participates in β ladder)trans-133.4156.3174.978.3-87.3000110.5S50 C51 K89 L91 Q138 C142 V170 L172S50-Y136 WeakPolarHBondContact OG-CE1 3.34Å; C51-Y136 PolarHBondContact O-OH 3.1Å; K89-Y136 HydrophobicContact CB-CE2 3.91Å; K89-Y136 HydrophobicContact CG-CD2 4.4Å; K89-Y136 HydrophobicContact CG-CE2 4.01Å; L91-Y136 HydrophobicContact CD2-CD1 4.07Å; L91-Y136 HydrophobicContact CD2-CD2 3.72Å; L91-Y136 HydrophobicContact CD2-CE2 4.35Å; L91-Y136 HydrophobicContact CD2-CG 3.56Å; Y136-Q138 PolarHBondContact OH-OE1 2.88Å; Y136-C142 VanDerWaalsContact CA-O 3.29Å; Y136-C142 WeakPolarHBondContact CA-O 3.44Å; Y136-V170 HydrophobicContact CD1-CB 3.96Å; Y136-V170 HydrophobicContact CD1-CG1 4.24Å; Y136-V170 HydrophobicContact CE1-CB 3.45Å; Y136-V170 VanDerWaalsContact CE1-CB 3.45Å; Y136-V170 HydrophobicContact CE1-CG1 3.43Å; Y136-V170 VanDerWaalsContact CE1-CG1 3.43Å; Y136-V170 HydrophobicContact CE1-CG2 4.34Å; Y136-V170 HydrophobicContact CE2-CB 4.39Å; Y136-V170 PolarHBondContact N-O 3.27Å; Y136-V170 PolarHBondContact O-N 3Å; Y136-L172 HydrophobicContact CD1-CD2 3.52Å; Y136-L172 HydrophobicContact CD1-CG 3.98Å; Y136-L172 HydrophobicContact CE1-CD2 3.9Å
137L94.4Very high91.7Very high0 Ų032.3 Ų32.30%015%0.151CC..EExtended strand (participates in β ladder)trans-92.4122.4177.6-57.5179.7000109.8T139 C140 G141 C142 F144 C157 F164 I169L137-T139 PolarHBondContact O-N 3.29Å; L137-C140 PolarHBondContact O-N 3.46Å; L137-G141 VanDerWaalsContact O-CA 3.31Å; L137-G141 WeakPolarHBondContact O-CA 3.5Å; L137-G141 PolarHBondContact O-N 2.84Å; L137-C142 PolarHBondContact N-O 3.15Å; L137-C142 VanDerWaalsContact N-O 3.16Å; L137-F144 HydrophobicContact CD1-CD2 4.49Å; L137-F144 HydrophobicContact CD1-CE2 4.01Å; L137-F144 HydrophobicContact CG-CD2 4.49Å; L137-F144 HydrophobicContact CG-CE2 4.41Å; L137-C157 HydrophobicContact CD1-CB 3.75Å; L137-F164 HydrophobicContact CD1-CB 4.15Å; L137-F164 HydrophobicContact CD1-CD1 3.53Å; L137-F164 HydrophobicContact CD1-CD2 4.26Å; L137-F164 HydrophobicContact CD1-CE1 3.89Å; L137-F164 HydrophobicContact CD1-CG 3.72Å; L137-F164 HydrophobicContact CD1-CZ 4.41Å; L137-F164 HydrophobicContact CD2-CB 4.3Å; L137-F164 HydrophobicContact CD2-CD1 4.31Å; L137-F164 HydrophobicContact CD2-CD2 3.49Å; L137-F164 VanDerWaalsContact CD2-CD2 3.49Å; L137-F164 HydrophobicContact CD2-CE2 3.79Å; L137-F164 HydrophobicContact CD2-CG 3.79Å; L137-F164 HydrophobicContact CD2-CZ 4.3Å; L137-F164 HydrophobicContact CG-CD2 4.48Å; L137-F164 HydrophobicContact CG-CG 4.32Å; L137-I169 HydrophobicContact CD2-CG1 3.88Å
138Q93.1Very high91.8Very high46 Ų4630.3 Ų30.322%0.21514%0.141CC..THydrogen-bonded Turntrans-62.4-26.2-179.1-168.969.314.500112.4K89 Y136 D168K89-Q138 WeakPolarHBondContact CE-O 3.31Å; K89-Q138 PolarHBondContact NZ-O 3.16Å; Y136-Q138 PolarHBondContact OH-OE1 2.88Å; Q138-D168 HydrophobicContact CB-CB 4.11Å; Q138-D168 PolarHBondContact N-O 2.96Å
139T92.6Very high92Very high58 Ų5831.1 Ų31.136%0.35615%0.146SC..THydrogen-bonded Turntrans-63.8-56.4176.952.60000112.2K89 L137 F164K89-T139 PolarHBondContact NZ-O 3.2Å; L137-T139 PolarHBondContact O-N 3.29Å; T139-F164 HydrophobicContact CG2-CB 4.43Å
140C92.9Very high92.2Very high11 Ų1136.2 Ų36.27%0.07417%0.167CC..THydrogen-bonded Turntrans-112.9-10.6-17166.60000115.3N92 L137 C142 C157 C160 D162N92-C140 PolarHBondContact ND2-O 2.63Å; L137-C140 PolarHBondContact O-N 3.46Å; C140-C142 PolarHBondContact O-N 3.25Å; C140-C157 VanDerWaalsContact SG-SG 3.6Å; C140-C160 VanDerWaalsContact CB-SG 3.55Å; C140-D162 HydrophobicContact CB-CB 3.9Å; C140-D162 WeakPolarHBondContact CB-OD2 3.11Å
141G92.9Very high92.5Very high0 Ų041.4 Ų41.40%019%0.187CC..  trans73.32.9-177.800000114.7K89 L91 N92 L137K89-G141 VanDerWaalsContact CE-N 3.34Å; L91-G141 WeakPolarHBondContact CA-O 3.42Å; N92-G141 PolarHBondContact N-O 3.49Å; L137-G141 VanDerWaalsContact O-CA 3.31Å; L137-G141 WeakPolarHBondContact O-CA 3.5Å; L137-G141 PolarHBondContact O-N 2.84Å
142C94.3Very high92.5Very high3 Ų338.1 Ų38.12%0.0218%0.177CC..BIsolated β-bridgetrans-68.2139.5177.5-64.80000111.2Y136 L137 C140 F144 K159Y136-C142 VanDerWaalsContact CA-O 3.29Å; Y136-C142 WeakPolarHBondContact CA-O 3.44Å; L137-C142 PolarHBondContact N-O 3.15Å; L137-C142 VanDerWaalsContact N-O 3.16Å; C140-C142 PolarHBondContact O-N 3.25Å; C142-F144 HydrophobicContact CB-CD2 4.49Å; C142-F144 HydrophobicContact CB-CE2 3.58Å; C142-F144 HydrophobicContact CB-CZ 3.92Å; C142-K159 HydrophobicContact CB-CB 4.27Å; C142-K159 HydrophobicContact CB-CD 4.29Å
143V94.6Very high92.1Very high5 Ų544.2 Ų44.23%0.0320%0.203CC..EExtended strand (participates in β ladder)trans-107.5131.1-173.8-1750000110.6L91 L93 M128 F134 C135 L172L91-V143 HydrophobicContact CB-CG2 4.04Å; L91-V143 HydrophobicContact CD1-CG2 4.09Å; L91-V143 HydrophobicContact CD2-CG2 3.88Å; L91-V143 HydrophobicContact CG-CG2 4.24Å; L93-V143 HydrophobicContact CD2-CB 3.88Å; L93-V143 HydrophobicContact CD2-CG1 3.92Å; L93-V143 HydrophobicContact CD2-CG2 3.72Å; L93-V143 HydrophobicContact CG-CG2 3.99Å; M128-V143 HydrophobicContact SD-CG1 4.3Å; F134-V143 HydrophobicContact CB-CG1 4.41Å; F134-V143 HydrophobicContact CD1-CG1 4.11Å; C135-V143 WeakPolarHBondContact O-CA 3.35Å; V143-L172 HydrophobicContact CG1-CD1 3.78Å
144F94.6Very high91.8Very high2 Ų241.4 Ų41.41%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-134.5159.6-178.2-60.2-80.5000111.1P122 V123 F134 C135 L137 C142 A148 L149 C157 K159P122-F144 HydrophobicContact CG-CD1 4.11Å; P122-F144 HydrophobicContact CG-CE1 3.87Å; V123-F144 HydrophobicContact CG2-CD1 4.02Å; V123-F144 HydrophobicContact CG2-CE1 3.98Å; F134-F144 CarbonylContact C-O 3.3Å; F134-F144 WeakPolarHBondContact CA-O 3.48Å; F134-F144 WeakPolarHBondContact CD1-O 3.46Å; C135-F144 PolarHBondContact N-O 3.07Å; C135-F144 PolarHBondContact O-N 3.47Å; C135-F144 VanDerWaalsContact O-O 3.07Å; L137-F144 HydrophobicContact CD1-CD2 4.49Å; L137-F144 HydrophobicContact CD1-CE2 4.01Å; L137-F144 HydrophobicContact CG-CD2 4.49Å; L137-F144 HydrophobicContact CG-CE2 4.41Å; C142-F144 HydrophobicContact CB-CD2 4.49Å; C142-F144 HydrophobicContact CB-CE2 3.58Å; C142-F144 HydrophobicContact CB-CZ 3.92Å; F144-A148 HydrophobicContact CB-CB 4.4Å; F144-L149 HydrophobicContact CB-CD2 4.19Å; F144-L149 HydrophobicContact CB-CG 4.31Å; F144-L149 HydrophobicContact CD2-CD2 4.32Å; F144-L149 HydrophobicContact CG-CD2 4.26Å; F144-C157 VanDerWaalsContact CZ-SG 3.56Å; F144-K159 HydrophobicContact CE1-CB 4.37Å; F144-K159 HydrophobicContact CZ-CB 3.89Å
145S94.3Very high91.5Very high1 Ų149 Ų491%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-76.1149.716770.40000110.2C121 R133 R147 A148 L149C121-S145 PolarHBondContact SG-N 3.07Å; R133-S145 WeakPolarHBondContact O-CA 3.29Å; S145-R147 PolarHBondContact O-N 2.84Å; S145-A148 WeakPolarHBondContact O-CB 3.37Å; S145-A148 PolarHBondContact O-N 3.14Å; S145-A148 VanDerWaalsContact O-N 3.07Å; S145-A148 PolarHBondContact OG-N 3.11Å; S145-L149 PolarHBondContact O-N 3.11Å
146D92.3Very high91.4Very high41 Ų4153.4 Ų53.422%0.21926%0.257CS..Hα-helixtrans-58.9-24.6173.3174.252.1000112.3R133 K150R133-D146 HydrophobicContact CB-CB 3.58Å; R133-D146 PolarHBondContact O-N 3.34Å; D146-K150 VanDerWaalsContact O-CD 3.29Å; D146-K150 WeakPolarHBondContact O-CD 3.43Å; D146-K150 VanDerWaalsContact O-CG 3.27Å; D146-K150 WeakPolarHBondContact O-CG 3.24Å; D146-K150 WeakPolarHBondContact OD1-CE 3.39Å; D146-K150 IonicContact OD1-NZ 2.84Å; D146-K150 PolarHBondContact OD1-NZ 2.8Å; D146-K150 IonicContact OD2-NZ 2.95Å; D146-K150 PolarHBondContact OD2-NZ 2.82Å
147R92.7Very high91.3Very high127 Ų12753.5 Ų53.548%0.47926%0.258SS..Hα-helixtrans-68.7-48.4171.5-73.3-176.1-179.2172.3-3.3111.9L126 S145 L149 K150 E151L126-R147 HydrophobicContact CD1-CB 4.46Å; S145-R147 PolarHBondContact O-N 2.84Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 2.8Å; R147-K150 PolarHBondContact O-N 3.11Å; R147-E151 WeakPolarHBondContact O-CG 3.49Å; R147-E151 PolarHBondContact O-N 3.47Å
148A92.4Very high90.9Very high0 Ų057.5 Ų57.50%028%0.276CS..Hα-helixtrans-53.7-45.6-179.300000112.8V123 V124 F144 S145 K150 V152V123-A148 HydrophobicContact CB-CB 4.17Å; V123-A148 HydrophobicContact CG1-CB 4.35Å; V124-A148 HydrophobicContact CG2-CB 3.63Å; F144-A148 HydrophobicContact CB-CB 4.4Å; S145-A148 WeakPolarHBondContact O-CB 3.37Å; S145-A148 PolarHBondContact O-N 3.14Å; S145-A148 VanDerWaalsContact O-N 3.07Å; S145-A148 PolarHBondContact OG-N 3.11Å; A148-K150 VanDerWaalsContact C-N 3.32Å; A148-K150 PolarHBondContact O-N 2.93Å; A148-V152 PolarHBondContact O-N 2.88Å
149L90.4Very high90.7Very high25 Ų2559.8 Ų59.813%0.13129%0.286CS..Hα-helixtrans-74.2-19.9-179.9-58-170.6000113.7C135 F144 S145 R147 I169C135-L149 WeakPolarHBondContact SG-CD1 3.38Å; F144-L149 HydrophobicContact CB-CD2 4.19Å; F144-L149 HydrophobicContact CB-CG 4.31Å; F144-L149 HydrophobicContact CD2-CD2 4.32Å; F144-L149 HydrophobicContact CG-CD2 4.26Å; S145-L149 PolarHBondContact O-N 3.11Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 2.8Å; L149-I169 HydrophobicContact CD1-CD1 3.94Å; L149-I169 HydrophobicContact CD1-CG1 4.24Å; L149-I169 HydrophobicContact CD1-CG2 4.01Å
150K90.1Very high90.6Very high128 Ų12860 Ų6056%0.55729%0.289SS*.Hα-helixtrans-84.4-35176-75.6170.7-179.8164.60112.3D146 R147 A148 K153D146-K150 VanDerWaalsContact O-CD 3.29Å; D146-K150 WeakPolarHBondContact O-CD 3.43Å; D146-K150 VanDerWaalsContact O-CG 3.27Å; D146-K150 WeakPolarHBondContact O-CG 3.24Å; D146-K150 WeakPolarHBondContact OD1-CE 3.39Å; D146-K150 IonicContact OD1-NZ 2.84Å; D146-K150 PolarHBondContact OD1-NZ 2.8Å; D146-K150 IonicContact OD2-NZ 2.95Å; D146-K150 PolarHBondContact OD2-NZ 2.82Å; R147-K150 PolarHBondContact O-N 3.11Å; A148-K150 VanDerWaalsContact C-N 3.32Å; A148-K150 PolarHBondContact O-N 2.93Å; K150-K153 VanDerWaalsContact O-CE 3.29Å; K150-K153 WeakPolarHBondContact O-CE 3.33Å
151E89.8Confident90.4Very high124 Ų12461.8 Ų61.858%0.57931%0.308SS*.Hα-helixtrans-75.9-45.7176-71.6155-158.200110.8R147R147-E151 WeakPolarHBondContact O-CG 3.49Å; R147-E151 PolarHBondContact O-N 3.47Å
152V85.5Confident90.4Very high54 Ų5465.2 Ų65.233%0.32733%0.327SS..SBendtrans-111.386.4-177.1-156.50000110.8V123 A148 T154 H158V123-V152 HydrophobicContact CG1-CG2 4.44Å; A148-V152 PolarHBondContact O-N 2.88Å; V152-T154 HydrophobicContact CG1-CG2 4.45Å; V152-T154 PolarHBondContact O-N 3.12Å; V152-T154 VanDerWaalsContact O-N 3.13Å; V152-H158 WeakPolarHBondContact CB-NE2 3.39Å; V152-H158 WeakPolarHBondContact CG1-CE1 3.42Å; V152-H158 WeakPolarHBondContact CG1-NE2 3.33Å
153K81.6Confident90.4Very high180 Ų18069.6 Ų69.678%0.78336%0.355SS*.  trans-83.680.3-178.6-62.1177.4-174.1172.50111.5K150K150-K153 VanDerWaalsContact O-CE 3.29Å; K150-K153 WeakPolarHBondContact O-CE 3.33Å
154T86.5Confident90.3Very high60 Ų6070.1 Ų70.137%0.36836%0.357SS..  trans-125.3140.8172.257.10000111.4V152 I156 H158 F164V152-T154 HydrophobicContact CG1-CG2 4.45Å; V152-T154 PolarHBondContact O-N 3.12Å; V152-T154 VanDerWaalsContact O-N 3.13Å; T154-I156 PolarHBondContact O-N 2.86Å; T154-I156 PolarHBondContact OG1-O 3.23Å; T154-H158 PolarHBondContact OG1-CE1 2.77Å; T154-H158 PolarHBondContact OG1-NE2 2.73Å; T154-F164 WeakPolarHBondContact O-CE1 3.45Å; T154-F164 WeakPolarHBondContact O-CZ 3.42Å
155E87.5Confident90.2Very high161 Ų16176.8 Ų76.875%0.75239%0.386SS*.SBendtrans-71.314.2176.8-54.2-175.7175.700113.8P163 F164E155-P163 CarbonylContact O-C 3.54Å; E155-P163 VanDerWaalsContact O-CA 3.27Å; E155-P163 WeakPolarHBondContact O-CA 3.13Å; E155-F164 PolarHBondContact O-N 2.73Å
156I92.3Very high89.9Confident96 Ų9683 Ų8349%0.49242%0.419SS..BIsolated β-bridgetrans-133.2131.6-170.6-59.3177.2000109.2T154 H158 G161T154-I156 PolarHBondContact O-N 2.86Å; T154-I156 PolarHBondContact OG1-O 3.23Å; I156-H158 PolarHBondContact O-N 3.48Å; I156-G161 WeakPolarHBondContact CG2-O 3.34Å
157C92.2Very high89.7Confident2 Ų287 Ų871%0.01444%0.437CS..  trans-72.6115.9-177.4177.80000112.4L137 C140 F144 K159 C160 G161 D162 F164L137-C157 HydrophobicContact CD1-CB 3.75Å; C140-C157 VanDerWaalsContact SG-SG 3.6Å; F144-C157 VanDerWaalsContact CZ-SG 3.56Å; C157-K159 PolarHBondContact O-N 3.27Å; C157-C160 PolarHBondContact O-N 3.26Å; C157-C160 PolarHBondContact SG-SG 3.22Å; C157-G161 PolarHBondContact O-N 3.48Å; C157-D162 HydrophobicContact CB-CB 4.47Å; C157-D162 VanDerWaalsContact CB-O 3.31Å; C157-D162 WeakPolarHBondContact CB-O 3.04Å; C157-D162 PolarHBondContact N-O 3Å; C157-F164 HydrophobicContact CB-CD1 4.4Å
158H87.4Confident89.6Confident84 Ų8482.9 Ų82.939%0.38942%0.424SS..THydrogen-bonded Turntrans-57.4-19.1-179.9-56.6-57000116.1V123 V152 T154 I156V123-H158 HydrophobicContact CG2-CB 4.35Å; V152-H158 WeakPolarHBondContact CB-NE2 3.39Å; V152-H158 WeakPolarHBondContact CG1-CE1 3.42Å; V152-H158 WeakPolarHBondContact CG1-NE2 3.33Å; T154-H158 PolarHBondContact OG1-CE1 2.77Å; T154-H158 PolarHBondContact OG1-NE2 2.73Å; I156-H158 PolarHBondContact O-N 3.48Å
159K88.6Confident89.6Confident94 Ų9484.7 Ų84.741%0.40943%0.433SS..THydrogen-bonded Turntrans-92.9-18.7-178.2-169.6175.6-174.2-590113.9T94 P122 C142 F144 C157T94-K159 WeakPolarHBondContact OG1-CE 3.46Å; P122-K159 HydrophobicContact CG-CD 4.35Å; C142-K159 HydrophobicContact CB-CB 4.27Å; C142-K159 HydrophobicContact CB-CD 4.29Å; F144-K159 HydrophobicContact CE1-CB 4.37Å; F144-K159 HydrophobicContact CZ-CB 3.89Å; C157-K159 PolarHBondContact O-N 3.27Å
160C90.6Very high89.8Confident63 Ų6384 Ų8443%0.42643%0.43SS..THydrogen-bonded Turntrans-147.9-7.4-173.5590000116C140 C157 D162C140-C160 VanDerWaalsContact CB-SG 3.55Å; C157-C160 PolarHBondContact O-N 3.26Å; C157-C160 PolarHBondContact SG-SG 3.22Å; C160-D162 VanDerWaalsContact C-N 3.25Å; C160-D162 PolarHBondContact O-N 3.12Å; C160-D162 PolarHBondContact SG-OD2 3.03Å
161G88.8Confident90Very high47 Ų4779.7 Ų79.749%0.48542%0.415SS..  trans78.7-1.7-177.900000115.3I156 C157I156-G161 WeakPolarHBondContact CG2-O 3.34Å; C157-G161 PolarHBondContact O-N 3.48Å
162D91.8Very high90.2Very high72 Ų7273.9 Ų73.939%0.38539%0.387SS..  trans-65.4131.6176.9-73.1-51.7000111.5C140 C157 C160C140-D162 HydrophobicContact CB-CB 3.9Å; C140-D162 WeakPolarHBondContact CB-OD2 3.11Å; C157-D162 HydrophobicContact CB-CB 4.47Å; C157-D162 VanDerWaalsContact CB-O 3.31Å; C157-D162 WeakPolarHBondContact CB-O 3.04Å; C157-D162 PolarHBondContact N-O 3Å; C160-D162 VanDerWaalsContact C-N 3.25Å; C160-D162 PolarHBondContact O-N 3.12Å; C160-D162 PolarHBondContact SG-OD2 3.03Å
163P93.7Very high90.5Very high95 Ų9573.2 Ų73.262%0.61738%0.382SS*.BIsolated β-bridgetrans-68.5147.4172.429-34.1000111.2E155E155-P163 CarbonylContact O-C 3.54Å; E155-P163 VanDerWaalsContact O-CA 3.27Å; E155-P163 WeakPolarHBondContact O-CA 3.13Å
164F93.3Very high90.8Very high17 Ų1765.7 Ų65.78%0.07536%0.355CS..  trans-144.8171.9177.475-89.1000112.1L137 T139 T154 E155 C157 I169L137-F164 HydrophobicContact CD1-CB 4.15Å; L137-F164 HydrophobicContact CD1-CD1 3.53Å; L137-F164 HydrophobicContact CD1-CD2 4.26Å; L137-F164 HydrophobicContact CD1-CE1 3.89Å; L137-F164 HydrophobicContact CD1-CG 3.72Å; L137-F164 HydrophobicContact CD1-CZ 4.41Å; L137-F164 HydrophobicContact CD2-CB 4.3Å; L137-F164 HydrophobicContact CD2-CD1 4.31Å; L137-F164 HydrophobicContact CD2-CD2 3.49Å; L137-F164 VanDerWaalsContact CD2-CD2 3.49Å; L137-F164 HydrophobicContact CD2-CE2 3.79Å; L137-F164 HydrophobicContact CD2-CG 3.79Å; L137-F164 HydrophobicContact CD2-CZ 4.3Å; L137-F164 HydrophobicContact CG-CD2 4.48Å; L137-F164 HydrophobicContact CG-CG 4.32Å; T139-F164 HydrophobicContact CG2-CB 4.43Å; T154-F164 WeakPolarHBondContact O-CE1 3.45Å; T154-F164 WeakPolarHBondContact O-CZ 3.42Å; E155-F164 PolarHBondContact O-N 2.73Å; C157-F164 HydrophobicContact CB-CD1 4.4Å; F164-I169 HydrophobicContact CD2-CG1 4.3Å; F164-I169 HydrophobicContact CE2-CD1 4.16Å; F164-I169 HydrophobicContact CE2-CG1 4.19Å
165K92.1Very high91Very high142 Ų14265.5 Ų65.562%0.61735%0.354SS*.  trans-131.9156.9176.5-61.2-173.1177.2-166.70110.5E167 D168K165-E167 PolarHBondContact O-N 3.05Å; K165-E167 VanDerWaalsContact O-N 3.1Å; K165-D168 PolarHBondContact O-N 2.91Å
166D88.6Confident91.1Very high130 Ų13066.6 Ų66.670%0.69536%0.356SS*.G310 helixtrans-59-23.7175.5-61.9-23.3000113.4D168 I169D166-D168 PolarHBondContact O-N 3.14Å; D166-I169 HydrophobicContact CB-CD1 4.41Å
167E88.3Confident91Very high126 Ų12667.9 Ų67.959%0.58936%0.36SS*.G310 helixtrans-68.1-17.4172.4-75.7-169.5-132.500114.7K165 K189K165-E167 PolarHBondContact O-N 3.05Å; K165-E167 VanDerWaalsContact O-N 3.1Å; E167-K189 PolarHBondContact O-NZ 2.82Å
168D90.5Very high90.9Very high41 Ų4169.5 Ų69.522%0.21937%0.368CS..G310 helixtrans-1135.9-175.9-66.3-42.3000112.9Q138 K165 D166 K189Q138-D168 HydrophobicContact CB-CB 4.11Å; Q138-D168 PolarHBondContact N-O 2.96Å; K165-D168 PolarHBondContact O-N 2.91Å; D166-D168 PolarHBondContact O-N 3.14Å; D168-K189 IonicContact OD1-NZ 3.87Å; D168-K189 PolarHBondContact OD1-NZ 3.13Å
169I92.7Very high91Very high38 Ų3866.9 Ų66.920%0.19536%0.358CS..EExtended strand (participates in β ladder)trans-78.2121.9165-54.8172000108.7C135 L137 L149 F164 D166C135-I169 HydrophobicContact CB-CG2 3.82Å; L137-I169 HydrophobicContact CD2-CG1 3.88Å; L149-I169 HydrophobicContact CD1-CD1 3.94Å; L149-I169 HydrophobicContact CD1-CG1 4.24Å; L149-I169 HydrophobicContact CD1-CG2 4.01Å; F164-I169 HydrophobicContact CD2-CG1 4.3Å; F164-I169 HydrophobicContact CE2-CD1 4.16Å; F164-I169 HydrophobicContact CE2-CG1 4.19Å; D166-I169 HydrophobicContact CB-CD1 4.41Å
170V94.1Very high91Very high11 Ų1167.5 Ų67.57%0.06736%0.362CS..EExtended strand (participates in β ladder)trans-118123.8177-179.90000109.6C135 Y136 L182C135-V170 CarbonylContact C-O 3.46Å; C135-V170 WeakPolarHBondContact CA-O 3.34Å; C135-V170 WeakPolarHBondContact CB-O 3.38Å; Y136-V170 HydrophobicContact CD1-CB 3.96Å; Y136-V170 HydrophobicContact CD1-CG1 4.24Å; Y136-V170 HydrophobicContact CE1-CB 3.45Å; Y136-V170 VanDerWaalsContact CE1-CB 3.45Å; Y136-V170 HydrophobicContact CE1-CG1 3.43Å; Y136-V170 VanDerWaalsContact CE1-CG1 3.43Å; Y136-V170 HydrophobicContact CE1-CG2 4.34Å; Y136-V170 HydrophobicContact CE2-CB 4.39Å; Y136-V170 PolarHBondContact N-O 3.27Å; Y136-V170 PolarHBondContact O-N 3Å; V170-L182 HydrophobicContact CG1-CD1 4.01Å; V170-L182 HydrophobicContact CG1-CD2 4.07Å; V170-L182 HydrophobicContact CG2-CD2 4.5Å
171V94.5Very high91Very high37 Ų3770 Ų7022%0.22437%0.366CS..EExtended strand (participates in β ladder)trans-77.4127.4-179.9-179.10000110.3G54G54-V171 WeakPolarHBondContact CA-O 3.48Å
172L94.1Very high91Very high2 Ų268.6 Ų68.61%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-79.9132.1176.1-68.6177.4000110.7W34 G54 L56 L91 M128 F134 Y136 V143 G174W34-L172 HydrophobicContact CH2-CB 3.69Å; W34-L172 WeakPolarHBondContact CH2-O 3.42Å; W34-L172 HydrophobicContact CZ3-CB 3.92Å; W34-L172 HydrophobicContact CZ3-CD1 4.36Å; G54-L172 WeakPolarHBondContact O-CA 3.31Å; L56-L172 HydrophobicContact CD2-CD1 4.35Å; L56-L172 HydrophobicContact CD2-CD2 3.84Å; L91-L172 HydrophobicContact CD1-CD1 4.22Å; L91-L172 HydrophobicContact CD1-CD2 4.25Å; M128-L172 HydrophobicContact SD-CD1 4.47Å; F134-L172 HydrophobicContact CB-CB 4.45Å; F134-L172 HydrophobicContact CB-CD1 4.28Å; F134-L172 PolarHBondContact O-N 3.47Å; Y136-L172 HydrophobicContact CD1-CD2 3.52Å; Y136-L172 HydrophobicContact CD1-CG 3.98Å; Y136-L172 HydrophobicContact CE1-CD2 3.9Å; V143-L172 HydrophobicContact CG1-CD1 3.78Å; L172-G174 PolarHBondContact O-N 2.88Å; L172-G174 VanDerWaalsContact O-N 3.12Å
173N91.3Very high90.9Very high39 Ų3969.6 Ų69.621%0.20935%0.348CS..THydrogen-bonded Turntrans47.338.9177.8-69.2-41.1000114.4K33 W34 G54K33-N173 PolarHBondContact O-ND2 2.78Å; W34-N173 HydrophobicContact CH2-CB 4.18Å; W34-N173 HydrophobicContact CZ2-CB 3.67Å; G54-N173 PolarHBondContact O-N 3.01Å
174G88.4Confident90.7Very high22 Ų2270.6 Ų70.623%0.22734%0.344CS..  trans-65.1177.8-177.100000115.2L172 E178L172-G174 PolarHBondContact O-N 2.88Å; L172-G174 VanDerWaalsContact O-N 3.12Å; G174-E178 VanDerWaalsContact CA-OE2 3.31Å; G174-E178 WeakPolarHBondContact CA-OE2 3.2Å
175T90.1Very high90.5Very high56 Ų5674 Ų7434%0.34436%0.359SS..  trans-64164.8176700000112E177 E178 V179T175-E177 PolarHBondContact O-N 2.97Å; T175-E178 PolarHBondContact N-OE2 3.18Å; T175-E178 PolarHBondContact O-N 2.85Å; T175-E178 VanDerWaalsContact O-N 3.12Å; T175-E178 VanDerWaalsContact OG1-CG 3.31Å; T175-E178 WeakPolarHBondContact OG1-CG 3.45Å; T175-E178 PolarHBondContact OG1-N 3.02Å; T175-E178 PolarHBondContact OG1-OE1 2.98Å; T175-E178 PolarHBondContact OG1-OE2 3.37Å; T175-V179 WeakPolarHBondContact O-CG2 3.42Å; T175-V179 PolarHBondContact O-N 3.26Å
176K88.9Confident90.2Very high184 Ų18467.5 Ų67.580%0.833%0.331SS*.Hα-helixtrans-56.5-36.7178-66.9-175179.5-178.30112.3Q180K176-Q180 VanDerWaalsContact O-CG 3.31Å; K176-Q180 WeakPolarHBondContact O-CG 3.3Å; K176-Q180 PolarHBondContact O-N 3.21Å; K176-Q180 PolarHBondContact O-OE1 3.08Å
177E91.1Very high90.2Very high123 Ų12367.2 Ų67.258%0.57533%0.325SS*.Hα-helixtrans-70.2-41.1176.7-62.9163.7-139.900112.7T175 V179 Q180 K181T175-E177 PolarHBondContact O-N 2.97Å; E177-V179 VanDerWaalsContact C-N 3.35Å; E177-Q180 WeakPolarHBondContact O-CB 3.31Å; E177-Q180 PolarHBondContact O-N 3.17Å; E177-K181 WeakPolarHBondContact O-CG 3.49Å; E177-K181 PolarHBondContact O-N 3.01Å
178E89.1Confident90.2Very high37 Ų3766 Ų6617%0.17332%0.32CS..Hα-helixtrans-65.1-41.3175.8-72.1152.8-159.400110.6R133 G174 T175 Q180 K181 L182R133-E178 IonicContact CZ-OE1 3.93Å; R133-E178 IonicContact CZ-OE2 3.04Å; R133-E178 IonicContact NH1-OE1 3.8Å; R133-E178 PolarHBondContact NH1-OE1 2.99Å; R133-E178 IonicContact NH1-OE2 3.64Å; R133-E178 IonicContact NH2-OE1 3.66Å; R133-E178 PolarHBondContact NH2-OE1 2.92Å; R133-E178 IonicContact NH2-OE2 2.75Å; G174-E178 VanDerWaalsContact CA-OE2 3.31Å; G174-E178 WeakPolarHBondContact CA-OE2 3.2Å; T175-E178 PolarHBondContact N-OE2 3.18Å; T175-E178 PolarHBondContact O-N 2.85Å; T175-E178 VanDerWaalsContact O-N 3.12Å; T175-E178 VanDerWaalsContact OG1-CG 3.31Å; T175-E178 WeakPolarHBondContact OG1-CG 3.45Å; T175-E178 PolarHBondContact OG1-N 3.02Å; T175-E178 PolarHBondContact OG1-OE1 2.98Å; T175-E178 PolarHBondContact OG1-OE2 3.37Å; E178-Q180 VanDerWaalsContact C-N 3.33Å; E178-Q180 PolarHBondContact O-N 2.98Å; E178-K181 PolarHBondContact O-N 3.44Å; E178-L182 WeakPolarHBondContact O-CG 3.4Å; E178-L182 PolarHBondContact O-N 3.04Å
179V89.8Confident90Very high28 Ų2867.6 Ų67.617%0.1733%0.325CS..Hα-helixtrans-66.6-31.9174.2173.60000112.1T175 E177 K183T175-V179 WeakPolarHBondContact O-CG2 3.42Å; T175-V179 PolarHBondContact O-N 3.26Å; E177-V179 VanDerWaalsContact C-N 3.35Å; V179-K183 WeakPolarHBondContact O-CG 3.29Å; V179-K183 PolarHBondContact O-N 3.1Å
180Q89.8Confident89.7Confident108 Ų10868 Ų6851%0.50532%0.324SS..Hα-helixtrans-65.9-49.3171.3-78.4164.5-30.800111.4K176 E177 E178 L182 K183 E184K176-Q180 VanDerWaalsContact O-CG 3.31Å; K176-Q180 WeakPolarHBondContact O-CG 3.3Å; K176-Q180 PolarHBondContact O-N 3.21Å; K176-Q180 PolarHBondContact O-OE1 3.08Å; E177-Q180 WeakPolarHBondContact O-CB 3.31Å; E177-Q180 PolarHBondContact O-N 3.17Å; E178-Q180 VanDerWaalsContact C-N 3.33Å; E178-Q180 PolarHBondContact O-N 2.98Å; Q180-L182 PolarHBondContact O-N 2.84Å; Q180-K183 WeakPolarHBondContact O-CA 3.18Å; Q180-K183 WeakPolarHBondContact O-CB 3.26Å; Q180-K183 PolarHBondContact O-N 2.75Å; Q180-E184 WeakPolarHBondContact O-CG 3.24Å; Q180-E184 PolarHBondContact O-N 2.65Å
181K89.7Confident89.4Confident116 Ų11671.3 Ų71.350%0.50434%0.344SS..Hα-helixtrans-59.1-33.1175.4-68.8162.7-176.8167.20112.6E177 E178 K185E177-K181 WeakPolarHBondContact O-CG 3.49Å; E177-K181 PolarHBondContact O-N 3.01Å; E178-K181 PolarHBondContact O-N 3.44Å; K181-K185 WeakPolarHBondContact O-CB 3.47Å; K181-K185 WeakPolarHBondContact O-CG 3.31Å; K181-K185 PolarHBondContact O-N 3.47Å; K181-K185 VanDerWaalsContact O-N 3.08Å
182L88.6Confident88.8Confident17 Ų1774.3 Ų74.39%0.08935%0.354CS..Hα-helixtrans-71.7-36.1172.6-71.6173.6000113.1L53 V170 E178 Q180 M186L53-L182 HydrophobicContact CD2-CB 3.89Å; V170-L182 HydrophobicContact CG1-CD1 4.01Å; V170-L182 HydrophobicContact CG1-CD2 4.07Å; V170-L182 HydrophobicContact CG2-CD2 4.5Å; E178-L182 WeakPolarHBondContact O-CG 3.4Å; E178-L182 PolarHBondContact O-N 3.04Å; Q180-L182 PolarHBondContact O-N 2.84Å; L182-M186 VanDerWaalsContact O-CB 3.32Å; L182-M186 WeakPolarHBondContact O-CB 2.98Å; L182-M186 PolarHBondContact O-N 2.61Å
183K90Very high88.2Confident93 Ų9376.9 Ų76.940%0.40438%0.376SS..Hα-helixtrans-62.6-47.3171.5-72.8174179.5-173.60111.5L53 V179 Q180 K185 M186 E187L53-K183 HydrophobicContact CD1-CG 3.89Å; L53-K183 HydrophobicContact CD2-CB 4.2Å; L53-K183 HydrophobicContact CD2-CG 3.48Å; L53-K183 VanDerWaalsContact CD2-CG 3.48Å; L53-K183 HydrophobicContact CG-CG 4.36Å; V179-K183 WeakPolarHBondContact O-CG 3.29Å; V179-K183 PolarHBondContact O-N 3.1Å; Q180-K183 WeakPolarHBondContact O-CA 3.18Å; Q180-K183 WeakPolarHBondContact O-CB 3.26Å; Q180-K183 PolarHBondContact O-N 2.75Å; K183-K185 PolarHBondContact O-N 3.48Å; K183-M186 WeakPolarHBondContact O-CB 3.25Å; K183-M186 PolarHBondContact O-N 2.89Å; K183-E187 WeakPolarHBondContact O-CB 3.28Å; K183-E187 WeakPolarHBondContact O-CG 3.4Å; K183-E187 PolarHBondContact O-N 2.69Å
184E90Very high87.7Confident116 Ų11681.8 Ų81.854%0.54240%0.395SS..Hα-helixtrans-57.8-50177.7-69.3157.6-171.200110.8Q180 M186 E187 E188Q180-E184 WeakPolarHBondContact O-CG 3.24Å; Q180-E184 PolarHBondContact O-N 2.65Å; E184-M186 PolarHBondContact O-N 2.62Å; E184-E187 PolarHBondContact O-N 2.81Å; E184-E188 WeakPolarHBondContact O-CB 3.35Å; E184-E188 PolarHBondContact O-N 2.92Å
185K88.5Confident87Confident89 Ų8984.1 Ų84.139%0.38741%0.405SS..Hα-helixtrans-57.8-43.1174.4-77.6-179.3173.4-169.80113.2K181 K183 K189K181-K185 WeakPolarHBondContact O-CB 3.47Å; K181-K185 WeakPolarHBondContact O-CG 3.31Å; K181-K185 PolarHBondContact O-N 3.47Å; K181-K185 VanDerWaalsContact O-N 3.08Å; K183-K185 PolarHBondContact O-N 3.48Å; K185-K189 WeakPolarHBondContact O-CB 3.35Å; K185-K189 WeakPolarHBondContact O-CG 3.31Å; K185-K189 PolarHBondContact O-N 2.89Å
186M86.8Confident86.1Confident4 Ų489 Ų892%0.0242%0.422CS..Hα-helixtrans-63.3-47177175.2-135.7-6700111.2E52 L53 H81 L182 K183 E184 K189 R190E52-M186 HydrophobicContact CB-CB 4.38Å; E52-M186 HydrophobicContact CB-CE 4.25Å; E52-M186 HydrophobicContact CB-CG 4.25Å; E52-M186 VanDerWaalsContact OE2-CG 3.28Å; E52-M186 WeakPolarHBondContact OE2-CG 3.46Å; L53-M186 HydrophobicContact CD1-CE 4Å; L53-M186 HydrophobicContact CD2-CE 3.45Å; L53-M186 VanDerWaalsContact CD2-CE 3.45Å; L53-M186 HydrophobicContact CG-CE 3.54Å; H81-M186 HydrophobicContact CB-CE 3.69Å; H81-M186 HydrophobicContact CB-SD 4.14Å; L182-M186 VanDerWaalsContact O-CB 3.32Å; L182-M186 WeakPolarHBondContact O-CB 2.98Å; L182-M186 PolarHBondContact O-N 2.61Å; K183-M186 WeakPolarHBondContact O-CB 3.25Å; K183-M186 PolarHBondContact O-N 2.89Å; E184-M186 PolarHBondContact O-N 2.62Å; M186-K189 PolarHBondContact O-N 3.49Å; M186-R190 WeakPolarHBondContact O-CB 3.2Å; M186-R190 WeakPolarHBondContact O-CD 3.38Å; M186-R190 WeakPolarHBondContact O-CG 3.28Å; M186-R190 PolarHBondContact O-N 2.89Å; M186-R190 PolarHBondContact SD-NH1 3.44Å
187E88.8Confident84.9Confident124 Ų12488.2 Ų88.258%0.57942%0.418SS*.Hα-helixtrans-66.3-40.2179.9-71.7-179.4-166.500111.5K183 E184 R190 V191K183-E187 WeakPolarHBondContact O-CB 3.28Å; K183-E187 WeakPolarHBondContact O-CG 3.4Å; K183-E187 PolarHBondContact O-N 2.69Å; E184-E187 PolarHBondContact O-N 2.81Å; E187-R190 PolarHBondContact O-N 3.33Å; E187-V191 WeakPolarHBondContact O-CG2 3.48Å; E187-V191 PolarHBondContact O-N 2.94Å
188E88.4Confident83.4Confident101 Ų10185.5 Ų85.547%0.47241%0.413SS..Hα-helixtrans-58.4-52.8168.6-83.9-165.4-123.700112.6E184 R190 V191 K192E184-E188 WeakPolarHBondContact O-CB 3.35Å; E184-E188 PolarHBondContact O-N 2.92Å; E188-R190 PolarHBondContact O-N 2.86Å; E188-V191 PolarHBondContact O-N 2.84Å; E188-V191 VanDerWaalsContact O-N 3.17Å; E188-K192 WeakPolarHBondContact O-CB 3.34Å; E188-K192 WeakPolarHBondContact O-CD 3.46Å; E188-K192 WeakPolarHBondContact O-CG 3.42Å; E188-K192 PolarHBondContact O-N 3.12Å; E188-K192 VanDerWaalsContact OE2-CE 3.23Å; E188-K192 WeakPolarHBondContact OE2-CE 3.24Å; E188-K192 IonicContact OE2-NZ 2.59Å; E188-K192 PolarHBondContact OE2-NZ 2.98Å
189K85.4Confident82Confident75 Ų7591.7 Ų91.733%0.32644%0.439SS..Hα-helixtrans-57-37.5178.3-76-176.4-176.9-175.30110E167 D168 K185 M186 A193E167-K189 PolarHBondContact O-NZ 2.82Å; D168-K189 IonicContact OD1-NZ 3.87Å; D168-K189 PolarHBondContact OD1-NZ 3.13Å; K185-K189 WeakPolarHBondContact O-CB 3.35Å; K185-K189 WeakPolarHBondContact O-CG 3.31Å; K185-K189 PolarHBondContact O-N 2.89Å; M186-K189 PolarHBondContact O-N 3.49Å; K189-A193 WeakPolarHBondContact O-CB 3.44Å; K189-A193 PolarHBondContact O-N 3.48Å
190R87.1Confident80.3Confident45 Ų4598.1 Ų98.117%0.1747%0.465CS..Hα-helixtrans-71.5-38.8175.9-72.2167173.4-161.4-11.5114.2E52 H81 D87 M186 E187 E188 A193 K194E52-R190 IonicContact OE1-NE 3.97Å; E52-R190 IonicContact OE1-NH2 2.73Å; H81-R190 VanDerWaalsContact O-CZ 3.28Å; H81-R190 PolarHBondContact O-NH1 3.35Å; H81-R190 PolarHBondContact O-NH2 3.01Å; D87-R190 IonicContact OD1-CZ 3.19Å; D87-R190 IonicContact OD1-NE 2.81Å; D87-R190 IonicContact OD1-NH2 3.72Å; D87-R190 PolarHBondContact OD1-NH2 2.87Å; D87-R190 IonicContact OD2-NH2 2.85Å; M186-R190 WeakPolarHBondContact O-CB 3.2Å; M186-R190 WeakPolarHBondContact O-CD 3.38Å; M186-R190 WeakPolarHBondContact O-CG 3.28Å; M186-R190 PolarHBondContact O-N 2.89Å; M186-R190 PolarHBondContact SD-NH1 3.44Å; E187-R190 PolarHBondContact O-N 3.33Å; E188-R190 PolarHBondContact O-N 2.86Å; R190-A193 PolarHBondContact O-N 2.91Å; R190-K194 WeakPolarHBondContact O-CG 2.96Å; R190-K194 PolarHBondContact O-N 3.37Å
191V86.6Confident78.6Confident82 Ų8296.4 Ų96.450%0.49747%0.465SS..Hα-helixtrans-66.7-45.7173.1170.10000110.5E187 E188 A193 K194 T195E187-V191 WeakPolarHBondContact O-CG2 3.48Å; E187-V191 PolarHBondContact O-N 2.94Å; E188-V191 PolarHBondContact O-N 2.84Å; E188-V191 VanDerWaalsContact O-N 3.17Å; V191-A193 VanDerWaalsContact C-N 3.26Å; V191-A193 PolarHBondContact O-N 3.09Å; V191-K194 PolarHBondContact O-N 3.32Å; V191-K194 VanDerWaalsContact O-N 3.14Å; V191-T195 PolarHBondContact O-N 2.94Å; V191-T195 PolarHBondContact O-OG1 3.17Å
192K82.8Confident76.7Confident99 Ų9999.3 Ų99.343%0.4348%0.477SS..Hα-helixtrans-60.2-34.2175.4-66.8166.4-170.8176.30111.8E188 T195 K196E188-K192 WeakPolarHBondContact O-CB 3.34Å; E188-K192 WeakPolarHBondContact O-CD 3.46Å; E188-K192 WeakPolarHBondContact O-CG 3.42Å; E188-K192 PolarHBondContact O-N 3.12Å; E188-K192 VanDerWaalsContact OE2-CE 3.23Å; E188-K192 WeakPolarHBondContact OE2-CE 3.24Å; E188-K192 IonicContact OE2-NZ 2.59Å; E188-K192 PolarHBondContact OE2-NZ 2.98Å; K192-T195 PolarHBondContact O-OG1 2.76Å; K192-K196 WeakPolarHBondContact O-CB 3.44Å; K192-K196 VanDerWaalsContact O-CG 3.29Å; K192-K196 WeakPolarHBondContact O-CG 3.39Å; K192-K196 PolarHBondContact O-N 3.1Å
193A81.3Confident74.8Confident57 Ų57102.3 Ų102.347%0.47151%0.505SS..Hα-helixtrans-69.8-43.4172.500000113K189 R190 V191 K196 K197K189-A193 WeakPolarHBondContact O-CB 3.44Å; K189-A193 PolarHBondContact O-N 3.48Å; R190-A193 PolarHBondContact O-N 2.91Å; V191-A193 VanDerWaalsContact C-N 3.26Å; V191-A193 PolarHBondContact O-N 3.09Å; A193-K196 PolarHBondContact O-N 3Å; A193-K197 PolarHBondContact O-N 3.09Å
194K80.4Confident72.8Confident142 Ų142103.2 Ų103.262%0.61752%0.518SS*.Hα-helixtrans-60.3-45.4176.9-73169.2-176.5176.10112R190 V191 K197 S198R190-K194 WeakPolarHBondContact O-CG 2.96Å; R190-K194 PolarHBondContact O-N 3.37Å; V191-K194 PolarHBondContact O-N 3.32Å; V191-K194 VanDerWaalsContact O-N 3.14Å; K194-K197 PolarHBondContact O-N 3.04Å; K194-S198 PolarHBondContact O-N 3.33Å; K194-S198 PolarHBondContact O-OG 2.73Å
195T74.1Confident70.5Confident70 Ų70106.8 Ų106.843%0.42953%0.532SS..Hα-helixtrans-70.7-33.6-179.356.40000113.1V191 K192 S198 K199V191-T195 PolarHBondContact O-N 2.94Å; V191-T195 PolarHBondContact O-OG1 3.17Å; K192-T195 PolarHBondContact O-OG1 2.76Å; T195-S198 PolarHBondContact O-OG 3.23Å; T195-S198 VanDerWaalsContact O-OG 3.13Å; T195-K199 WeakPolarHBondContact O-CG 3.21Å; T195-K199 PolarHBondContact O-N 3.34Å; T195-K199 VanDerWaalsContact O-N 3.14Å
196K71.6Confident68.3Low160 Ų160108.3 Ų108.370%0.69655%0.549SS*.Hα-helixtrans-64.2-41.8168.9-74.4176.3-179.9-176.30111.6K192 A193 K200K192-K196 WeakPolarHBondContact O-CB 3.44Å; K192-K196 VanDerWaalsContact O-CG 3.29Å; K192-K196 WeakPolarHBondContact O-CG 3.39Å; K192-K196 PolarHBondContact O-N 3.1Å; A193-K196 PolarHBondContact O-N 3Å; K196-K200 PolarHBondContact O-N 2.68Å; K196-K200 VanDerWaalsContact O-N 3.11Å
197K63.9Low66.1Low166 Ų166114.4 Ų114.472%0.72259%0.586SS**Hα-helixtrans-66.1-42.2177.3-165.9175.6-177.8-177.90112.3A193 K194 K200 S201A193-K197 PolarHBondContact O-N 3.09Å; K194-K197 PolarHBondContact O-N 3.04Å; K197-K200 PolarHBondContact O-N 3.24Å; K197-S201 PolarHBondContact O-N 3.28Å; K197-S201 PolarHBondContact O-OG 3.01Å
198S59.7Low63.7Low66 Ų66114.4 Ų114.446%0.46260%0.6SS.*Hα-helixtrans-67.7-36.5179.265.40000113.1K194 T195 S201 K202K194-S198 PolarHBondContact O-N 3.33Å; K194-S198 PolarHBondContact O-OG 2.73Å; T195-S198 PolarHBondContact O-OG 3.23Å; T195-S198 VanDerWaalsContact O-OG 3.13Å; S198-S201 WeakPolarHBondContact CA-OG 3.39Å; S198-S201 PolarHBondContact O-N 3.49Å; S198-S201 PolarHBondContact O-OG 3.05Å; S198-K202 PolarHBondContact O-N 3.1Å; S198-K202 VanDerWaalsContact O-N 3.09Å
199K59.3Low61Low168 Ų168114 Ų11473%0.7361%0.613SS**Hα-helixtrans-61.1-46.7169.5-74.8-175177.1-1720111.5T195 S201 K202 A203T195-K199 WeakPolarHBondContact O-CG 3.21Å; T195-K199 PolarHBondContact O-N 3.34Å; T195-K199 VanDerWaalsContact O-N 3.14Å; K199-S201 PolarHBondContact O-N 3.5Å; K199-K202 PolarHBondContact O-N 2.84Å; K199-A203 PolarHBondContact O-N 2.92Å
200K54.2Low59.1Low162 Ų162115.8 Ų115.870%0.70463%0.632SS**Hα-helixtrans-63.3-37.8177.3-169.6166-176.9171.80112.8K196 K197 K202 A203K196-K200 PolarHBondContact O-N 2.68Å; K196-K200 VanDerWaalsContact O-N 3.11Å; K197-K200 PolarHBondContact O-N 3.24Å; K200-K202 VanDerWaalsContact C-N 3.34Å; K200-K202 PolarHBondContact O-N 3.03Å; K200-A203 PolarHBondContact O-N 2.98Å
201S53.6Low56.7Low73 Ų73119.8 Ų119.851%0.5166%0.664SS.*Hα-helixtrans-72.1-22.5175.856.10000114.4K197 S198 K199K197-S201 PolarHBondContact O-N 3.28Å; K197-S201 PolarHBondContact O-OG 3.01Å; S198-S201 WeakPolarHBondContact CA-OG 3.39Å; S198-S201 PolarHBondContact O-N 3.49Å; S198-S201 PolarHBondContact O-OG 3.05Å; K199-S201 PolarHBondContact O-N 3.5Å
202K49.2Very low54.1Low176 Ų176124.5 Ų124.577%0.76568%0.681SS**Hα-helixtrans-76.9-27.6175.5-162.3171.6-177.3-179.40112.3S198 K199 K200 V204S198-K202 PolarHBondContact O-N 3.1Å; S198-K202 VanDerWaalsContact O-N 3.09Å; K199-K202 PolarHBondContact O-N 2.84Å; K200-K202 VanDerWaalsContact C-N 3.34Å; K200-K202 PolarHBondContact O-N 3.03Å; K202-V204 VanDerWaalsContact C-N 3.31Å; K202-V204 PolarHBondContact O-N 3.28Å
203A48.4Very low51.6Low81 Ų81124.8 Ų124.867%0.66970%0.695SS**THydrogen-bonded Turntrans-73.5-17.1175.800000114.4K199 K200K199-A203 PolarHBondContact O-N 2.92Å; K200-A203 PolarHBondContact O-N 2.98Å
204V49Very low49.2Very low112 Ų112129.4 Ų129.468%0.67971%0.705SS**THydrogen-bonded Turntrans-91.6-5-177.2178.70000112.5K202K202-V204 VanDerWaalsContact C-N 3.31Å; K202-V204 PolarHBondContact O-N 3.28Å
205K41Very low46.6Very low191 Ų191129.6 Ų129.683%0.8371%0.708SS**SBendtrans-94.618.4-177.8-85-157.1168.4-162.20115.3
206T41.8Very low44.4Very low121 Ų121133.1 Ų133.174%0.74272%0.724SS**SBendtrans-130.628.3-174.9-30.80000114.6
207V41.7Very low42.4Very low131 Ų131129.2 Ų129.279%0.79472%0.722SS**  trans-142.4111.4158.8-173.70000108.5
208S38.3Very low40.7Very low125 Ų125130.3 Ų130.387%0.87473%0.729SS**  trans-166.677173-740000111.5
209A32.3Very low39.2Very low91 Ų91132.1 Ų132.175%0.75274%0.742SS**  trans-157.7141.4160.600000108.9
210P45.8Very low38.7Very low113 Ų113129.3 Ų129.373%0.73474%0.741SS**  trans-91.9174.9-175.638.5-37000113
211P36Very low38.2Very low129 Ų129126.5 Ų126.584%0.83874%0.74SS**  -135.4177.110339.7-30.8000114.2
212E31Very low37.2Very low181 Ų181128.9 Ų128.985%0.84675%0.751SS**  trans-109.9170.6-176.4-61-178.3101.700113.9
213S31.3Very low36.2Very low105 Ų105126.7 Ų126.773%0.73475%0.747SS**  trans109.2128138.678.50000121.3
214K30.3Very low35.4Very low155 Ų155128.8 Ų128.867%0.67475%0.751SS**  trans74.2118.2143.7-71.3174.8157.1-74.30119.7
215E26.4Very low34.5Very low145 Ų145128.2 Ų128.268%0.67876%0.759SS**  89.2141.694.8-76.4164.9178.400112
216D28.3Very low33.7Very low144 Ų144122.7 Ų122.777%0.7776%0.756SS**  cis-155.8175.8-5.8-157-83.1000109.7
217A29.2Very low33.1Very low79 Ų79129.1 Ų129.165%0.65377%0.766SS**  trans62.2155.8162.800000119
218Q27.9Very low32.4Very low188 Ų188132.9 Ų132.988%0.87977%0.772SS**  cis-150.9154.72.5-140.1160.732.100111.5
219S28.9Very low31.9Very low104 Ų104132 Ų13273%0.72777%0.766SS**  trans-118.1-161.8167.564.70000108.2
220P49.1Very low31.7Very low109 Ų109135.4 Ų135.471%0.70877%0.766SS**  cis-128.8-143.2-4.243.2-22.5000110
221P43.4Very low30.9Very low104 Ų104137.4 Ų137.468%0.67577%0.766SS**  cis-120.9-145.7-18.530.7-5.8000110.7
222V31.3Very low30.3Very low123 Ų123138.1 Ų138.175%0.74576%0.763SS**  cis-158.5158.31.9-111.50000106.9
223D28.9Very low30Very low130 Ų130132.7 Ų132.770%0.69576%0.755SS**  cis-161.8149.7-27.2-128.837.4000113.4
224V31.8Very low29.7Very low124 Ų124135 Ų13575%0.75276%0.759SS**  trans37.1113.6137.1-179.20000122.1
225A28.9Very low29.6Very low101 Ų101135.9 Ų135.984%0.83577%0.766SS**  170.4134.7119.100000111.5
226G25.5Very low29.7Very low74 Ų74133.3 Ų133.376%0.76376%0.764SS**  cis12690.3-16.600000115.9
227R28.9Very low29.8Very low257 Ų257131.3 Ų131.397%0.9776%0.761SS**  trans-165.3155.3154-115.6167.6-176.8-135.7-4.1114.8
228K27.6Very low29.9Very low209 Ų209136.8 Ų136.891%0.90977%0.774SS**  trans-127.6148.3173.6-65177177.7177.20110.2
229S27.6Very low30Very low108 Ų108133.8 Ų133.876%0.75577%0.773SS**  trans179.1134.3141.4-159.80000106.6
230Q27.4Very low29.9Very low161 Ų161133.4 Ų133.475%0.75278%0.776SS**  cis90.3129.325.5-150.1-169.2-7.500113.9
231Q28.3Very low29Very low156 Ų156135.2 Ų135.273%0.72979%0.785SS**  trans74.8152.6173.1-58.8-170.1-1700117.9
232N24.5Very low28.3Very low144 Ų144134.7 Ų134.777%0.7779%0.789SS**  cis-166.6159.2-20.6-105.61.6000111
233G24.6Very low28.1Very low67 Ų67132 Ų13269%0.69179%0.787SS**  trans74.9166.9150.600000119.1
234D25.7Very low28.6Very low153 Ų153131.8 Ų131.882%0.81879%0.793SS**  cis-165.2177.4-22.9-137.8-58.4000111.2
235E26.5Very low28.6Very low173 Ų173131.4 Ų131.481%0.80880%0.795SS**  trans66.2158.6162.6-70-156.277.300120.7
236S29.1Very low28.6Very low92 Ų92129.9 Ų129.964%0.64379%0.789SS**  cis-171.3179.3-31-1670000110.1
237S31.5Very low28.9Very low102 Ų102132.8 Ų132.871%0.71379%0.793SS**  trans63.6123.317569.10000116.3
238Q30.9Very low28.9Very low194 Ų194125.7 Ų125.791%0.90778%0.782SS**  cis74.2112.638.2-59.4-167.82.400116.2
239S28.7Very low29Very low124 Ų124121.1 Ų121.187%0.86778%0.776SS**  trans-154.1146.9132.667.20000109.3
240A28.4Very low29.1Very low96 Ų96121.1 Ų121.179%0.79378%0.777SS**  trans-149.3128.6179.200000111.4
241V29.7Very low29.2Very low147 Ų147120.3 Ų120.389%0.89178%0.783SS**  trans-168.9150.9167.2-88.30000107.4
242A28Very low29.2Very low93 Ų93122.7 Ų122.777%0.76979%0.791SS**  cis-159.3164.1-21.800000108.5
243G27.6Very low29.4Very low67 Ų67119.5 Ų119.569%0.69179%0.792SS**  trans-74.3-173.6164.700000112.2
244P40.4Very low29.5Very low126 Ų126121.3 Ų121.382%0.81879%0.794SS**  cis-129.7-165.23417.88.1000113.4
245S31.4Very low29.6Very low115 Ų115123.1 Ų123.180%0.80479%0.794SS**  cis174.2149.8-42.5-77.40000107.6
246G27.6Very low30.2Very low69 Ų69120.5 Ų120.571%0.71180%0.795SS**  trans143.384.2-177.400000111.7
247T32.1Very low30.4Very low136 Ų136124.2 Ų124.283%0.83481%0.807SS**  65.2117.352-44.60000110.2
248S30Very low30.7Very low108 Ų108124.7 Ų124.776%0.75582%0.817SS**  cis-156.7-172.70.8560000107.9
249S29Very low30.8Very low112 Ų112119.8 Ų119.878%0.78381%0.81SS**  cis-153.8169.313.756.90000111.3
250S29.4Very low31Very low109 Ų109119 Ų11976%0.76281%0.805SS**  trans-92.9147.8179.3540000113
251T29.8Very low31.8Very low144 Ų144119.7 Ų119.788%0.88381%0.81SS**  trans-149.5143.9139.820.80000113.4
252K28.8Very low32.3Very low206 Ų206117.7 Ų117.790%0.89680%0.798SS**  trans-49.9130.5178-57.9157.7-178.5174.90112.6
253G28.2Very low33.3Very low77 Ų77123.6 Ų123.679%0.79481%0.807SS**  trans-84.8171.2167.400000113
254S27.8Very low34.6Very low105 Ų105129.6 Ų129.673%0.73481%0.808SS**  trans-158.4151.2157.783.70000112.6
255K27.2Very low35.7Very low190 Ų190125.2 Ų125.283%0.82678%0.781SS**  trans59.2109.1156.7-65.1172.2-178.8175.60118.6
256S38.4Very low37.4Very low118 Ų118122.6 Ų122.683%0.82576%0.757SS**  trans-52.6135.5147.452.20000112.4
257L32.8Very low39Very low171 Ų171122.4 Ų122.490%0.89574%0.738SS**  trans-132.1132.2150.9-78.5177.6000108.5
258A38.8Very low40.5Very low111 Ų111121.7 Ų121.792%0.91773%0.729SS**  trans-79.1131.2174.800000109.9
259A32.4Very low42.6Very low92 Ų92119.5 Ų119.576%0.7671%0.707SS**  trans-119.1113.7169.900000109.3
260S33.8Very low44.5Very low108 Ų108123.1 Ų123.176%0.75571%0.712SS**  trans-20.1135.2171.335.40000117.4T262S260-T262 PolarHBondContact O-N 2.98Å
261A45.8Very low46.7Very low110 Ų110126.6 Ų126.691%0.90972%0.716SS**  trans-56120.3172.200000111.6
262T38.5Very low49Very low104 Ų104123.7 Ų123.764%0.63869%0.691SS**  trans-138.7134.9162.8-31.80000107.4S260 R264S260-T262 PolarHBondContact O-N 2.98Å; T262-R264 PolarHBondContact O-N 3.2Å
263K48.9Very low51.5Low218 Ų218117.7 Ų117.795%0.94868%0.675SS**  trans-75.769.4-175.6-62.5179.8-178.6178.60111.6
264R55.7Low54Low192 Ų192121 Ų12173%0.72567%0.67SS**  trans-68.1135.3170.1-55.2-172.9-167-175.84.7108.8T262 M269T262-R264 PolarHBondContact O-N 3.2Å; R264-M269 HydrophobicContact CB-CE 4.4Å
265S63.8Low56.5Low34 Ų34119.6 Ų119.624%0.23867%0.665CS.*  trans-71144.2177.7-164.70000109.8Q267 D268S265-Q267 PolarHBondContact O-N 3.32Å; S265-Q267 WeakPolarHBondContact OG-CG 3.06Å; S265-Q267 PolarHBondContact OG-N 2.91Å; S265-D268 WeakPolarHBondContact CB-OD2 3.07Å; S265-D268 PolarHBondContact N-OD2 2.77Å; S265-D268 VanDerWaalsContact N-OD2 3.12Å; S265-D268 PolarHBondContact O-N 2.85Å
266I66.6Low58.9Low60 Ų60114.7 Ų114.731%0.30864%0.644SS.*G310 helixtrans-62.4-21.9171.7-63.7171.9000110.5F276 F280I266-F276 HydrophobicContact CG2-CE1 4.48Å; I266-F280 HydrophobicContact CD1-CD1 3.85Å; I266-F280 HydrophobicContact CD1-CE1 3.84Å; I266-F280 HydrophobicContact CD1-CG 4.23Å; I266-F280 HydrophobicContact CD1-CZ 4.23Å; I266-F280 HydrophobicContact CG2-CD2 4.15Å; I266-F280 HydrophobicContact CG2-CE2 4.29Å
267Q62.2Low61.1Low65 Ų65110.8 Ų110.830%0.30461%0.612SS.*G310 helixtrans-67.4-38.4176.9-54-172-94.500112.2S265 M269 K277 T282S265-Q267 PolarHBondContact O-N 3.32Å; S265-Q267 WeakPolarHBondContact OG-CG 3.06Å; S265-Q267 PolarHBondContact OG-N 2.91Å; Q267-M269 PolarHBondContact O-N 3.3Å; Q267-K277 WeakPolarHBondContact O-CE 3.26Å; Q267-K277 PolarHBondContact O-NZ 2.94Å; Q267-T282 VanDerWaalsContact CD-O 3.3Å; Q267-T282 PolarHBondContact NE2-O 3.2Å; Q267-T282 VanDerWaalsContact NE2-O 3.12Å; Q267-T282 PolarHBondContact OE1-O 3.12Å
268D62.8Low63.3Low121 Ų121105 Ų10565%0.64759%0.586SS**G310 helixtrans-79.2-4.2-174-39.1-31.3000112.9S265 E270S265-D268 WeakPolarHBondContact CB-OD2 3.07Å; S265-D268 PolarHBondContact N-OD2 2.77Å; S265-D268 VanDerWaalsContact N-OD2 3.12Å; S265-D268 PolarHBondContact O-N 2.85Å; D268-E270 PolarHBondContact O-N 3.3Å
269M75.1Confident65.2Low62 Ų62106 Ų10631%0.30558%0.575SS.*  trans-78.496.8177.3-65.5-80-178.800109.8R264 Q267 E271 K272 K277R264-M269 HydrophobicContact CB-CE 4.4Å; Q267-M269 PolarHBondContact O-N 3.3Å; M269-E271 PolarHBondContact O-N 3.2Å; M269-K272 HydrophobicContact CB-CB 4.42Å; M269-K272 HydrophobicContact CB-CD 3.94Å; M269-K272 HydrophobicContact CB-CG 4.09Å; M269-K272 HydrophobicContact CG-CD 4.38Å; M269-K272 PolarHBondContact O-N 2.9Å; M269-K277 WeakPolarHBondContact O-CE 3.41Å; M269-K277 PolarHBondContact O-NZ 3.18Å
270E68.8Low67.6Low189 Ų189105.2 Ų105.288%0.88356%0.555SS**THydrogen-bonded Turntrans-62.7-31-179.1-164.2161.2-144.900112.7D268 K272D268-E270 PolarHBondContact O-N 3.3Å; E270-K272 PolarHBondContact O-N 3.01Å
271E75.1Confident69.6Low182 Ų182106.2 Ų106.285%0.8556%0.557SS**THydrogen-bonded Turntrans-63.2-5.4177.2-57.5174.7163.200115.5M269M269-E271 PolarHBondContact O-N 3.2Å
272K77.4Confident70.9Confident82 Ų82103.7 Ų103.736%0.35753%0.53SS..SBendtrans-117130-170.1-63.2-173.6-177.7-176.20112.3M269 E270 F276 K277M269-K272 HydrophobicContact CB-CB 4.42Å; M269-K272 HydrophobicContact CB-CD 3.94Å; M269-K272 HydrophobicContact CB-CG 4.09Å; M269-K272 HydrophobicContact CG-CD 4.38Å; M269-K272 PolarHBondContact O-N 2.9Å; E270-K272 PolarHBondContact O-N 3.01Å; K272-F276 HydrophobicContact CB-CD1 4.41Å; K272-F276 HydrophobicContact CD-CD1 4.08Å; K272-F276 HydrophobicContact CD-CE1 4.02Å; K272-K277 WeakPolarHBondContact O-CE 3.29Å
273S81.5Confident72.8Confident81 Ų8199.6 Ų99.657%0.56650%0.503SS*.  trans-60.8148.5179.961.40000112.8A275 F276 K277S273-A275 VanDerWaalsContact C-N 3.26Å; S273-A275 PolarHBondContact O-N 3.17Å; S273-F276 WeakPolarHBondContact O-CB 3.23Å; S273-F276 PolarHBondContact O-N 3.47Å; S273-K277 PolarHBondContact O-N 2.88Å; S273-K277 VanDerWaalsContact O-N 3.1Å
274E80.1Confident74Confident147 Ų14793 Ų9369%0.68749%0.485SS*.Hα-helixtrans-59.8-37.5-179.9-169.7174.1-171.500112.2F276 K277 S278E274-F276 PolarHBondContact O-N 3.36Å; E274-K277 PolarHBondContact O-N 2.98Å; E274-S278 PolarHBondContact O-N 3.12Å
275A80.5Confident74.9Confident75 Ų7588 Ų8862%0.6248%0.479SS*.Hα-helixtrans-64.3-22.5174.100000114.2S273 S278S273-A275 VanDerWaalsContact C-N 3.26Å; S273-A275 PolarHBondContact O-N 3.17Å; A275-S278 PolarHBondContact O-OG 3.18Å
276F78.7Confident75.1Confident87 Ų8788.8 Ų88.838%0.38249%0.487SS..Hα-helixtrans-82.9-36.6169.1-177.9-90.8000111.4I266 K272 S273 E274 L279 F280I266-F276 HydrophobicContact CG2-CE1 4.48Å; K272-F276 HydrophobicContact CB-CD1 4.41Å; K272-F276 HydrophobicContact CD-CD1 4.08Å; K272-F276 HydrophobicContact CD-CE1 4.02Å; S273-F276 WeakPolarHBondContact O-CB 3.23Å; S273-F276 PolarHBondContact O-N 3.47Å; E274-F276 PolarHBondContact O-N 3.36Å; F276-L279 HydrophobicContact CD2-CD1 4.48Å; F276-L279 PolarHBondContact O-N 3.18Å; F276-F280 HydrophobicContact CD1-CE2 4.05Å; F276-F280 AromaticContact CE1-CE2 3.54Å; F276-F280 HydrophobicContact CE1-CE2 3.54Å; F276-F280 HydrophobicContact CE1-CZ 4.07Å; F276-F280 AromaticContact CZ-CE2 3.81Å; F276-F280 HydrophobicContact CZ-CE2 3.81Å; F276-F280 AromaticContact CZ-CZ 3.99Å; F276-F280 HydrophobicContact CZ-CZ 3.99Å; F276-F280 WeakPolarHBondContact O-CD2 3.04Å; F276-F280 WeakPolarHBondContact O-CE2 3.47Å
277K83.1Confident75.4Confident35 Ų3592 Ų9215%0.15250%0.5CS..Hα-helixtrans-66.5-34.9178.3-67.8179.1178.5179.40112.4Q267 M269 K272 S273 E274 L279 F280Q267-K277 WeakPolarHBondContact O-CE 3.26Å; Q267-K277 PolarHBondContact O-NZ 2.94Å; M269-K277 WeakPolarHBondContact O-CE 3.41Å; M269-K277 PolarHBondContact O-NZ 3.18Å; K272-K277 WeakPolarHBondContact O-CE 3.29Å; S273-K277 PolarHBondContact O-N 2.88Å; S273-K277 VanDerWaalsContact O-N 3.1Å; E274-K277 PolarHBondContact O-N 2.98Å; K277-L279 PolarHBondContact O-N 2.84Å; K277-F280 PolarHBondContact O-N 2.95Å
278S79.8Confident75.8Confident51 Ų5197.5 Ų97.536%0.35752%0.517SS..THydrogen-bonded Turntrans-67.6-16.9-179.464.80000115E274 A275 F280E274-S278 PolarHBondContact O-N 3.12Å; A275-S278 PolarHBondContact O-OG 3.18Å; S278-F280 PolarHBondContact O-N 3.12Å
279L79.5Confident76.1Confident132 Ų13294.5 Ų94.569%0.69151%0.506SS*.THydrogen-bonded Turntrans-70.5-15.5175.6-61174.8000113.4F276 K277F276-L279 HydrophobicContact CD2-CD1 4.48Å; F276-L279 PolarHBondContact O-N 3.18Å; K277-L279 PolarHBondContact O-N 2.84Å
280F82.2Confident75.4Confident74 Ų74100.5 Ų100.533%0.32553%0.53SS..SBendtrans-102.7140-175-64.4-88.3000112.1I266 F276 K277 S278 T282 H283I266-F280 HydrophobicContact CD1-CD1 3.85Å; I266-F280 HydrophobicContact CD1-CE1 3.84Å; I266-F280 HydrophobicContact CD1-CG 4.23Å; I266-F280 HydrophobicContact CD1-CZ 4.23Å; I266-F280 HydrophobicContact CG2-CD2 4.15Å; I266-F280 HydrophobicContact CG2-CE2 4.29Å; F276-F280 HydrophobicContact CD1-CE2 4.05Å; F276-F280 AromaticContact CE1-CE2 3.54Å; F276-F280 HydrophobicContact CE1-CE2 3.54Å; F276-F280 HydrophobicContact CE1-CZ 4.07Å; F276-F280 AromaticContact CZ-CE2 3.81Å; F276-F280 HydrophobicContact CZ-CE2 3.81Å; F276-F280 AromaticContact CZ-CZ 3.99Å; F276-F280 HydrophobicContact CZ-CZ 3.99Å; F276-F280 WeakPolarHBondContact O-CD2 3.04Å; F276-F280 WeakPolarHBondContact O-CE2 3.47Å; K277-F280 PolarHBondContact O-N 2.95Å; S278-F280 PolarHBondContact O-N 3.12Å; F280-T282 PolarHBondContact O-N 3.14Å; F280-H283 VanDerWaalsContact O-CB 3.29Å; F280-H283 WeakPolarHBondContact O-CB 3.39Å; F280-H283 PolarHBondContact O-N 3.45Å
281T74.6Confident75.2Confident130 Ų13098.8 Ų98.880%0.79853%0.527SS*.THydrogen-bonded Turntrans-62.5-9.4178.953.10000114.6
282T73.8Confident74.6Confident56 Ų5696.2 Ų96.234%0.34452%0.515SS..THydrogen-bonded Turntrans-77.5-19171.652.80000113.4Q267 F280 K287Q267-T282 VanDerWaalsContact CD-O 3.3Å; Q267-T282 PolarHBondContact NE2-O 3.2Å; Q267-T282 VanDerWaalsContact NE2-O 3.12Å; Q267-T282 PolarHBondContact OE1-O 3.12Å; F280-T282 PolarHBondContact O-N 3.14Å; T282-K287 WeakPolarHBondContact O-CE 3.46Å; T282-K287 PolarHBondContact O-NZ 3.39Å
283H79.1Confident73.8Confident19 Ų1996.1 Ų96.19%0.08852%0.522CS..SBendtrans-64.8154.2-176-158.1-112.5000112.8F280 S285 A286F280-H283 VanDerWaalsContact O-CB 3.29Å; F280-H283 WeakPolarHBondContact O-CB 3.39Å; F280-H283 PolarHBondContact O-N 3.45Å; H283-S285 VanDerWaalsContact C-N 3.31Å; H283-S285 PolarHBondContact ND1-OG 3.12Å; H283-S285 PolarHBondContact O-N 3Å; H283-A286 PolarHBondContact O-N 3.14Å; H283-A286 VanDerWaalsContact O-N 3.12Å
284S73.8Confident73Confident79 Ų7996.1 Ų96.155%0.55252%0.521SS*.G310 helixtrans-57.3-43.7178.547.20000112.1A286 K287S284-A286 PolarHBondContact O-N 2.96Å; S284-K287 PolarHBondContact O-N 2.98Å; S284-K287 VanDerWaalsContact O-N 3.14Å
285S73.6Confident72.1Confident87 Ų8796.7 Ų96.761%0.60853%0.529SS*.G310 helixtrans-63.3-18.8177.658.50000115H283H283-S285 VanDerWaalsContact C-N 3.31Å; H283-S285 PolarHBondContact ND1-OG 3.12Å; H283-S285 PolarHBondContact O-N 3Å
286A69.2Low71.2Confident50 Ų50103.7 Ų103.741%0.41354%0.54SS..G310 helixtrans-93.1-10.7177.800000113.2H283 S284 R288H283-A286 PolarHBondContact O-N 3.14Å; H283-A286 VanDerWaalsContact O-N 3.12Å; S284-A286 PolarHBondContact O-N 2.96Å; A286-R288 PolarHBondContact O-N 2.85Å
287K72.6Confident70.1Confident129 Ų129106 Ų10656%0.56156%0.561SS**  trans-85.1110.3-179.9-68.2172.8-172170.60109.9T282 S284T282-K287 WeakPolarHBondContact O-CE 3.46Å; T282-K287 PolarHBondContact O-NZ 3.39Å; S284-K287 PolarHBondContact O-N 2.98Å; S284-K287 VanDerWaalsContact O-N 3.14Å
288R70.9Confident68.7Low180 Ų180109.5 Ų109.568%0.67959%0.585SS**  trans-65.6149.8171.3-65-174.6-174.7-178.52.1110.7A286 Q292A286-R288 PolarHBondContact O-N 2.85Å; R288-Q292 HydrophobicContact CB-CB 4.08Å
289S68.6Low67.2Low58 Ų58114.9 Ų114.941%0.40660%0.604SS.*  trans-66.3163.1169.465.90000110.9D291 Q292 T293S289-D291 PolarHBondContact O-N 2.9Å; S289-Q292 PolarHBondContact O-N 2.76Å; S289-Q292 VanDerWaalsContact O-N 3.13Å; S289-Q292 PolarHBondContact OG-N 2.84Å; S289-T293 PolarHBondContact O-N 3.46Å; S289-T293 PolarHBondContact O-OG1 3.28Å
290K61.3Low65.7Low187 Ų187112.9 Ų112.981%0.81360%0.598SS**G310 helixtrans-57.7-37.3179.2-166.6174.5-179.5-1780111.5Q292 T293K290-Q292 VanDerWaalsContact C-N 3.35Å; K290-Q292 PolarHBondContact O-N 3.35Å; K290-T293 WeakPolarHBondContact O-CB 3.23Å; K290-T293 PolarHBondContact O-N 3.18Å
291D63.2Low64Low153 Ų153113.5 Ų113.582%0.81861%0.609SS**G310 helixtrans-77.8-18.9-177.6-37.6-72.2000113S289S289-D291 PolarHBondContact O-N 2.9Å
292Q63.6Low62.5Low129 Ų129116.6 Ų116.660%0.60361%0.608SS**G310 helixtrans-91.12.2169.3-73.4-171.2-4.600113.5R288 S289 K290R288-Q292 HydrophobicContact CB-CB 4.08Å; S289-Q292 PolarHBondContact O-N 2.76Å; S289-Q292 VanDerWaalsContact O-N 3.13Å; S289-Q292 PolarHBondContact OG-N 2.84Å; K290-Q292 VanDerWaalsContact C-N 3.35Å; K290-Q292 PolarHBondContact O-N 3.35Å
293T60.5Low60.9Low80 Ų80121.8 Ų121.849%0.49163%0.628SS.*SBendtrans-101.692.4-178.1-56.30000109.7S289 K290 N295S289-T293 PolarHBondContact O-N 3.46Å; S289-T293 PolarHBondContact O-OG1 3.28Å; K290-T293 WeakPolarHBondContact O-CB 3.23Å; K290-T293 PolarHBondContact O-N 3.18Å; T293-N295 PolarHBondContact O-N 3.5Å
294S64.4Low58.9Low80 Ų80133.8 Ų133.856%0.55968%0.68SS**  trans-59.913217952.70000112.2W296S294-W296 PolarHBondContact O-N 3.13Å
295N60.9Low58.2Low160 Ų160136.6 Ų136.686%0.85669%0.687SS**SBendtrans-60-6.8-178.8-75.923000115.8T293T293-N295 PolarHBondContact O-N 3.5Å
296W61.9Low57.4Low221 Ų221139.2 Ų139.284%0.83769%0.691SS**SBendtrans-102.1119179.8-60.786.4000110S294 T298S294-W296 PolarHBondContact O-N 3.13Å; W296-T298 PolarHBondContact O-N 3.25Å
297V56.2Low56.7Low137 Ų137144.1 Ų144.183%0.8371%0.706SS**  trans-7886.9-179.4-176.40000110.1H299V297-H299 PolarHBondContact O-N 3.47Å; V297-H299 VanDerWaalsContact O-N 3.12Å
298T53.2Low55.8Low108 Ų108145 Ų14566%0.66372%0.715SS**  trans-71.499.9163.749.50000108.9W296 T300W296-T298 PolarHBondContact O-N 3.25Å; T298-T300 PolarHBondContact O-N 3.08Å
299H48.8Very low54.9Low163 Ų163142.8 Ų142.876%0.75572%0.717SS**  trans-72.773.7178.1-172.9-65.9000110.9V297 P301V297-H299 PolarHBondContact O-N 3.47Å; V297-H299 VanDerWaalsContact O-N 3.12Å; H299-P301 VanDerWaalsContact O-CD 3.23Å; H299-P301 WeakPolarHBondContact O-CD 3.18Å
300T47.2Very low54Low90 Ų90148.5 Ų148.555%0.55274%0.738SS**  trans-66.9112.1173.945.70000110.1T298 Y302T298-T300 PolarHBondContact O-N 3.08Å; T300-Y302 VanDerWaalsContact C-N 3.33Å; T300-Y302 PolarHBondContact O-N 3.04Å
301P46.4Very low53.4Low87 Ų87145.7 Ų145.757%0.56573%0.732SS**  trans-85.277.6-176.835.6-31.4000109.5H299 H303H299-P301 VanDerWaalsContact O-CD 3.23Å; H299-P301 WeakPolarHBondContact O-CD 3.18Å; P301-H303 VanDerWaalsContact C-N 3.26Å; P301-H303 PolarHBondContact O-CD2 3.08Å; P301-H303 PolarHBondContact O-N 2.94Å
302Y43.5Very low52.7Low196 Ų196145.2 Ų145.277%0.76973%0.725SS**  trans-70.786.9169.4-82.4-78.1000109.6T300T300-Y302 VanDerWaalsContact C-N 3.33Å; T300-Y302 PolarHBondContact O-N 3.04Å
303H41Very low51.8Low165 Ų165146.5 Ų146.576%0.76474%0.736SS**  trans-78117168.7-74.5-82.2000110.2P301P301-H303 VanDerWaalsContact C-N 3.26Å; P301-H303 PolarHBondContact O-CD2 3.08Å; P301-H303 PolarHBondContact O-N 2.94Å
304F37.3Very low51Low271 Ų271152.5 Ų152.5100%1.18976%0.758SS**  trans-141.80156.1-80.8-74000107.3

Retrieved 304 of 304 residues in 163.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).