A0A096MVV3_PAPAN Loading...

PHD finger protein 13

Modulates chromatin structure and DNA damage response by regulating key determinants of chromatin compaction and DNA damage response. Binds H3K4me3-containing chromatin and promotes DNA condensation by recruiting corepressors such as TRIM28 and H3K9 methyltransferase SETDB1. Required for normal chromosome condensation during the early stages of mitosis. Required for normal chromosome separation during mitosis. Increases both chromatin-associated levels and activity of H3K9 methyltransferases, such as SETDB1, thus enhancing H3K9 trimethylation. Essential for testicular stem-cell differentiation and sustained spermatogenesis.

AlphaFold DB (A0A2K6BVD3), UniProt , Accession A0A096MVV3, Species PAPAN (Papio anubis, Olive baboon), Gene PHF13, Length 300 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.9Very low42.2Very low223 Ų223139.4 Ų139.4100%1.09983%0.83SS**  059.80-59.4-176110.100106.3
2D39.7Very low42Very low147 Ų147136.6 Ų136.679%0.78682%0.823SS**  63.4115.783.2-52.3-66.7000107.9
3S45.4Very low41.8Very low117 Ų117140.6 Ų140.682%0.81883%0.827SS**  -165.3138.756.2-56.30000111.8
4D41.8Very low41.7Very low154 Ų154142.7 Ų142.782%0.82483%0.825SS**  trans-57.3137.7165.6-70.4-87.3000113
5S49.8Very low41.6Very low126 Ų126146.4 Ų146.488%0.88182%0.822SS**  trans-109.594.4161.5-164.10000107.5A7S5-A7 PolarHBondContact O-N 2.66Å
6C40.3Very low41.2Very low115 Ų115141.6 Ų141.678%0.77780%0.801SS**  trans-69.2108.2175.8-70.60000109.8A8C6-A8 PolarHBondContact O-N 3.42Å
7A42.4Very low41.4Very low95 Ų95140.2 Ų140.279%0.78580%0.799SS**  trans-61.8112.9154.700000107.7S5 A9S5-A7 PolarHBondContact O-N 2.66Å; A7-A9 VanDerWaalsContact C-N 3.31Å; A7-A9 PolarHBondContact O-N 3.1Å
8A47.2Very low41.7Very low93 Ų93135.9 Ų135.977%0.76978%0.779SS**  trans-64.694.4173.500000108.6C6 F10C6-A8 PolarHBondContact O-N 3.42Å; A8-F10 PolarHBondContact O-N 3.32Å
9A42.6Very low41.8Very low82 Ų82134.8 Ų134.868%0.67878%0.779SS**  trans-59.9122.1164.300000107.5A7 H11A7-A9 VanDerWaalsContact C-N 3.31Å; A7-A9 PolarHBondContact O-N 3.1Å; A9-H11 PolarHBondContact O-N 3.05Å
10F39.2Very low42.6Very low204 Ų204135.7 Ų135.790%0.89577%0.773SS**  trans-52.6104.6164.7-69.5-88.3000107.8A8 S12A8-F10 PolarHBondContact O-N 3.32Å; F10-S12 PolarHBondContact O-N 3.44Å
11H39.3Very low43.9Very low177 Ų177138.6 Ų138.682%0.81977%0.771SS**  trans-62.3106.8167.6-107-94.9000106.3A9 E13A9-H11 PolarHBondContact O-N 3.05Å; H11-E13 VanDerWaalsContact C-N 3.27Å; H11-E13 PolarHBondContact O-N 3.49Å
12S39.3Very low46Very low106 Ų106138.8 Ų138.874%0.74176%0.76SS**  trans-56.3103152.3-65.90000105.4F10 E14F10-S12 PolarHBondContact O-N 3.44Å; S12-E14 PolarHBondContact O-N 3.27Å
13E40Very low48.3Very low189 Ų189142.5 Ų142.588%0.88376%0.763SS**  trans-63.493.1161.4-89.2-134.212700106.6H11 Y15H11-E13 VanDerWaalsContact C-N 3.27Å; H11-E13 PolarHBondContact O-N 3.49Å; E13-Y15 PolarHBondContact O-N 3.42Å
14E39.8Very low50.5Low170 Ų170139.5 Ų139.579%0.79474%0.74SS**  trans-5083.3163.1-171.8168.4-164.300108.5S12 S16S12-E14 PolarHBondContact O-N 3.27Å; E14-S16 PolarHBondContact O-N 3.45Å
15Y41.2Very low52.9Low198 Ų198136.4 Ų136.478%0.77673%0.726SS**  trans-69.977.3161.8-166.5-96.5000107.4E13 P17E13-Y15 PolarHBondContact O-N 3.42Å; Y15-P17 WeakPolarHBondContact O-CD 3.22Å
16S34Very low55Low70 Ų70135.7 Ų135.749%0.4971%0.709SS.*  trans-51.7124.7158.8-78.50000107.1E14 S18E14-S16 PolarHBondContact O-N 3.45Å; S16-S18 PolarHBondContact O-N 2.87Å
17P45.5Very low57.5Low118 Ų118133.6 Ų133.677%0.76669%0.69SS**  trans-6885.1170.126.9-29.9000107.1Y15 C19Y15-P17 WeakPolarHBondContact O-CD 3.22Å; P17-C19 PolarHBondContact O-N 3.25Å
18S46Very low60Low63 Ų63135.3 Ų135.344%0.44168%0.68SS.*  trans-58.9107.2175.551.10000107.5S16 K20S16-S18 PolarHBondContact O-N 2.87Å; S18-K20 PolarHBondContact O-N 3.29Å
19C44Very low62.1Low114 Ų114134.9 Ų134.977%0.7767%0.665SS**THydrogen-bonded Turntrans24.987153.540.80000115.1P17 R21P17-C19 PolarHBondContact O-N 3.25Å; C19-R21 VanDerWaalsContact C-N 3.32Å; C19-R21 PolarHBondContact O-N 3.19Å
20K57Low64.6Low152 Ų152138.5 Ų138.566%0.66167%0.665SS**THydrogen-bonded Turntrans17.271.5164.1-61.7177.5-170.8169.40112.6S18 R22 H253S18-K20 PolarHBondContact O-N 3.29Å; K20-R22 PolarHBondContact O-N 3.31Å; K20-H253 PolarHBondContact NZ-CD2 3.46Å; K20-H253 PolarHBondContact NZ-NE2 3.42Å
21R71.4Confident67.2Low197 Ų197134.6 Ų134.674%0.74365%0.648SS**PPolyproline II helixtrans-55.9117.2179.7-163.6-180-164109.7-1.7106.5C19 R23C19-R21 VanDerWaalsContact C-N 3.32Å; C19-R21 PolarHBondContact O-N 3.19Å; R21-R23 PolarHBondContact O-N 3.15Å
22R80Confident69.8Low227 Ų227128.5 Ų128.586%0.85763%0.625SS**PPolyproline II helixtrans-58.9125.9175-76.1-177.3171.1-95.20.7106.3K20 T24K20-R22 PolarHBondContact O-N 3.31Å; R22-T24 WeakPolarHBondContact O-CG2 3.44Å; R22-T24 PolarHBondContact O-N 3.4Å; R22-T24 VanDerWaalsContact O-N 3.16Å
23R88.8Confident72.4Confident225 Ų225127 Ų12785%0.84961%0.611SS**PPolyproline II helixtrans-52.4124.8176.2-73-175.2-170.1-162.51.9108.2R21 D27R21-R23 PolarHBondContact O-N 3.15Å; R23-D27 WeakPolarHBondContact CA-OD2 3.46Å; R23-D27 HydrophobicContact CB-CB 4.45Å
24T91.8Very high74.9Confident55 Ų55125 Ų12534%0.33760%0.6SS.*PPolyproline II helixtrans-91170.6177.775.60000110.1R22 E26 D27 F28R22-T24 WeakPolarHBondContact O-CG2 3.44Å; R22-T24 PolarHBondContact O-N 3.4Å; R22-T24 VanDerWaalsContact O-N 3.16Å; T24-E26 WeakPolarHBondContact CB-OE2 3.44Å; T24-E26 PolarHBondContact O-N 3Å; T24-E26 PolarHBondContact OG1-N 3.21Å; T24-E26 PolarHBondContact OG1-OE2 2.84Å; T24-D27 PolarHBondContact N-OD2 3.37Å; T24-D27 WeakPolarHBondContact O-CB 3.44Å; T24-D27 PolarHBondContact O-N 3.37Å; T24-D27 VanDerWaalsContact O-N 3.15Å; T24-D27 PolarHBondContact OG1-N 2.84Å; T24-F28 PolarHBondContact O-N 2.83Å
25V91.9Very high77.6Confident88 Ų88120 Ų12053%0.53358%0.58SS.*Hα-helixtrans-64-30.3174.765.20000110.9D27 F28 N29V25-D27 VanDerWaalsContact C-N 3.35Å; V25-F28 PolarHBondContact O-N 3.15Å; V25-N29 WeakPolarHBondContact O-CB 3.07Å; V25-N29 PolarHBondContact O-N 3.22Å; V25-N29 PolarHBondContact O-ND2 3.16Å
26E93.3Very high80.1Confident111 Ų111113.6 Ų113.652%0.51956%0.56SS.*Hα-helixtrans-63.3-41.1172.8-59.673-158.800111T24 F28 N29 K30T24-E26 WeakPolarHBondContact CB-OE2 3.44Å; T24-E26 PolarHBondContact O-N 3Å; T24-E26 PolarHBondContact OG1-N 3.21Å; T24-E26 PolarHBondContact OG1-OE2 2.84Å; E26-F28 VanDerWaalsContact C-N 3.34Å; E26-F28 PolarHBondContact O-N 3.26Å; E26-N29 PolarHBondContact O-N 3.45Å; E26-K30 VanDerWaalsContact O-CG 3.24Å; E26-K30 WeakPolarHBondContact O-CG 3.49Å; E26-K30 PolarHBondContact O-N 2.98Å
27D93.1Very high82.7Confident71 Ų71112.4 Ų112.438%0.3855%0.554SS.*Hα-helixtrans-63.1-40.1175.4-65.3-30.2000111.8R23 T24 V25 K30 F31R23-D27 WeakPolarHBondContact CA-OD2 3.46Å; R23-D27 HydrophobicContact CB-CB 4.45Å; T24-D27 PolarHBondContact N-OD2 3.37Å; T24-D27 WeakPolarHBondContact O-CB 3.44Å; T24-D27 PolarHBondContact O-N 3.37Å; T24-D27 VanDerWaalsContact O-N 3.15Å; T24-D27 PolarHBondContact OG1-N 2.84Å; V25-D27 VanDerWaalsContact C-N 3.35Å; D27-K30 PolarHBondContact O-N 3.34Å; D27-F31 WeakPolarHBondContact O-CB 3.49Å; D27-F31 PolarHBondContact O-N 3.01Å
28F94.3Very high84.9Confident132 Ų132116.5 Ų116.558%0.57956%0.556SS**Hα-helixtrans-64.7-43.4174.3175.9-98.4000111.7T24 V25 E26 K30 F31 C32T24-F28 PolarHBondContact O-N 2.83Å; V25-F28 PolarHBondContact O-N 3.15Å; E26-F28 VanDerWaalsContact C-N 3.34Å; E26-F28 PolarHBondContact O-N 3.26Å; F28-K30 VanDerWaalsContact C-N 3.34Å; F28-K30 PolarHBondContact O-N 2.65Å; F28-F31 PolarHBondContact O-N 3.35Å; F28-C32 WeakPolarHBondContact O-CB 3.3Å; F28-C32 PolarHBondContact O-N 3.49Å
29N92.4Very high87.1Confident83 Ų83116.3 Ų116.344%0.44456%0.557SS.*Hα-helixtrans-63.9-40.3177.4-70.6-21.6000111.2V25 E26 C32 T33V25-N29 WeakPolarHBondContact O-CB 3.07Å; V25-N29 PolarHBondContact O-N 3.22Å; V25-N29 PolarHBondContact O-ND2 3.16Å; E26-N29 PolarHBondContact O-N 3.45Å; N29-C32 PolarHBondContact O-N 3.05Å; N29-T33 WeakPolarHBondContact O-CB 3.38Å; N29-T33 PolarHBondContact O-N 3.48Å; N29-T33 PolarHBondContact O-OG1 3.07Å
30K93.3Very high89Confident158 Ų158113.6 Ų113.669%0.68755%0.549SS*.Hα-helixtrans-62.4-43.5173.9-69.6-63.8-178.9-176.60111.9E26 D27 F28 T33 F34E26-K30 VanDerWaalsContact O-CG 3.24Å; E26-K30 WeakPolarHBondContact O-CG 3.49Å; E26-K30 PolarHBondContact O-N 2.98Å; D27-K30 PolarHBondContact O-N 3.34Å; F28-K30 VanDerWaalsContact C-N 3.34Å; F28-K30 PolarHBondContact O-N 2.65Å; K30-T33 PolarHBondContact O-N 2.74Å; K30-F34 WeakPolarHBondContact O-CB 3.24Å; K30-F34 PolarHBondContact O-N 3.13Å
31F94.9Very high90.4Very high123 Ų123115.1 Ų115.154%0.53955%0.552SS.*Hα-helixtrans-62.9-45.4175.4177.7-103.4000111.9D27 F28 F34 V35D27-F31 WeakPolarHBondContact O-CB 3.49Å; D27-F31 PolarHBondContact O-N 3.01Å; F28-F31 PolarHBondContact O-N 3.35Å; F31-F34 WeakPolarHBondContact O-CB 3.4Å; F31-F34 PolarHBondContact O-N 3.32Å; F31-V35 HydrophobicContact CD1-CG2 4.37Å; F31-V35 HydrophobicContact CD2-CG2 4.35Å; F31-V35 HydrophobicContact CE1-CG2 3.93Å; F31-V35 HydrophobicContact CE2-CG2 3.9Å; F31-V35 HydrophobicContact CZ-CG2 3.67Å; F31-V35 WeakPolarHBondContact O-CG2 3.25Å; F31-V35 PolarHBondContact O-N 2.78Å
32C94.1Very high90.8Very high49 Ų49108.8 Ų108.833%0.33153%0.532SS..Hα-helixtrans-60-48.4177-173.70000111.3F28 N29 F34 V35 L36F28-C32 WeakPolarHBondContact O-CB 3.3Å; F28-C32 PolarHBondContact O-N 3.49Å; N29-C32 PolarHBondContact O-N 3.05Å; C32-F34 VanDerWaalsContact C-N 3.32Å; C32-F34 PolarHBondContact O-N 3.12Å; C32-V35 PolarHBondContact O-N 2.81Å; C32-L36 WeakPolarHBondContact O-CB 2.9Å; C32-L36 VanDerWaalsContact O-CG 3.27Å; C32-L36 WeakPolarHBondContact O-CG 3.41Å; C32-L36 PolarHBondContact O-N 3.12Å
33T92.8Very high90.5Very high73 Ų73103.3 Ų103.345%0.44853%0.526SS..Hα-helixtrans-58.5-42.8175.3-58.80000111.9N29 K30 L36 A37 I42N29-T33 WeakPolarHBondContact O-CB 3.38Å; N29-T33 PolarHBondContact O-N 3.48Å; N29-T33 PolarHBondContact O-OG1 3.07Å; K30-T33 PolarHBondContact O-N 2.74Å; T33-L36 PolarHBondContact O-N 3.02Å; T33-A37 VanDerWaalsContact O-CB 3.31Å; T33-A37 WeakPolarHBondContact O-CB 3.34Å; T33-A37 PolarHBondContact O-N 3.36Å; T33-I42 HydrophobicContact CG2-CD1 3.97Å
34F92.8Very high89.2Confident148 Ų148101.3 Ų101.365%0.64952%0.52SS*.Hα-helixtrans-61.5-48.6177.9177.5-95.9000112K30 F31 C32 L36 A37 Y38K30-F34 WeakPolarHBondContact O-CB 3.24Å; K30-F34 PolarHBondContact O-N 3.13Å; F31-F34 WeakPolarHBondContact O-CB 3.4Å; F31-F34 PolarHBondContact O-N 3.32Å; C32-F34 VanDerWaalsContact C-N 3.32Å; C32-F34 PolarHBondContact O-N 3.12Å; F34-L36 PolarHBondContact O-N 2.73Å; F34-A37 PolarHBondContact O-N 3.45Å; F34-Y38 WeakPolarHBondContact O-CB 3.03Å; F34-Y38 PolarHBondContact O-N 3.34Å
35V96.4Very high88Confident64 Ų64103.4 Ų103.439%0.38853%0.534SS..Hα-helixtrans-63.2-42.4178.4173.40000111.3F31 C32 Y38 A39F31-V35 HydrophobicContact CD1-CG2 4.37Å; F31-V35 HydrophobicContact CD2-CG2 4.35Å; F31-V35 HydrophobicContact CE1-CG2 3.93Å; F31-V35 HydrophobicContact CE2-CG2 3.9Å; F31-V35 HydrophobicContact CZ-CG2 3.67Å; F31-V35 WeakPolarHBondContact O-CG2 3.25Å; F31-V35 PolarHBondContact O-N 2.78Å; C32-V35 PolarHBondContact O-N 2.81Å; V35-Y38 PolarHBondContact O-N 2.94Å; V35-A39 WeakPolarHBondContact O-CB 3.42Å; V35-A39 PolarHBondContact O-N 3.42Å
36L94.4Very high86.2Confident65 Ų65108.3 Ų108.334%0.3455%0.548SS..Hα-helixtrans-68-36.8179-72.2173000112.8C32 T33 F34 G40 Y41 I42C32-L36 WeakPolarHBondContact O-CB 2.9Å; C32-L36 VanDerWaalsContact O-CG 3.27Å; C32-L36 WeakPolarHBondContact O-CG 3.41Å; C32-L36 PolarHBondContact O-N 3.12Å; T33-L36 PolarHBondContact O-N 3.02Å; F34-L36 PolarHBondContact O-N 2.73Å; L36-G40 PolarHBondContact O-N 3.39Å; L36-Y41 HydrophobicContact CD2-CD2 4.15Å; L36-Y41 HydrophobicContact CD2-CG 4.39Å; L36-Y41 PolarHBondContact O-N 2.88Å; L36-I42 HydrophobicContact CB-CD1 3.59Å; L36-I42 HydrophobicContact CB-CG1 3.89Å; L36-I42 HydrophobicContact CD1-CD1 4.17Å; L36-I42 PolarHBondContact O-N 2.9Å
37A89.4Confident84.4Confident45 Ų45110.4 Ų110.437%0.37256%0.558SS.*Hα-helixtrans-67.4-43173.700000111.3T33 F34 A39 G40 I42T33-A37 VanDerWaalsContact O-CB 3.31Å; T33-A37 WeakPolarHBondContact O-CB 3.34Å; T33-A37 PolarHBondContact O-N 3.36Å; F34-A37 PolarHBondContact O-N 3.45Å; A37-A39 VanDerWaalsContact C-N 3.32Å; A37-A39 PolarHBondContact O-N 3.1Å; A37-G40 PolarHBondContact O-N 3.24Å; A37-I42 HydrophobicContact CB-CB 4.43Å
38Y91.5Very high82.2Confident204 Ų204115.2 Ų115.280%0.858%0.578SS**Hα-helixtrans-60.7-41.1175.5178.4-100.7000112.2F34 V35 G40F34-Y38 WeakPolarHBondContact O-CB 3.03Å; F34-Y38 PolarHBondContact O-N 3.34Å; V35-Y38 PolarHBondContact O-N 2.94Å; Y38-G40 PolarHBondContact O-N 2.94Å
39A91.2Very high79.7Confident58 Ų58115.7 Ų115.748%0.47959%0.586SS.*THydrogen-bonded Turntrans-76.52175.200000113.9V35 A37 Y41V35-A39 WeakPolarHBondContact O-CB 3.42Å; V35-A39 PolarHBondContact O-N 3.42Å; A37-A39 VanDerWaalsContact C-N 3.32Å; A37-A39 PolarHBondContact O-N 3.1Å; A39-Y41 VanDerWaalsContact C-N 3.31Å; A39-Y41 HydrophobicContact CB-CD2 3.64Å; A39-Y41 HydrophobicContact CB-CE2 3.85Å; A39-Y41 PolarHBondContact O-N 3.48Å
40G84.7Confident77.5Confident57 Ų57117.7 Ų117.759%0.58860%0.604SS**THydrogen-bonded Turntrans75.910.6175.800000115.5L36 A37 Y38L36-G40 PolarHBondContact O-N 3.39Å; A37-G40 PolarHBondContact O-N 3.24Å; Y38-G40 PolarHBondContact O-N 2.94Å
41Y85.4Confident75.2Confident184 Ų184117.3 Ų117.372%0.72261%0.608SS**SBendtrans-78.4-22.7177.7-72-74.6000113.3L36 A39L36-Y41 HydrophobicContact CD2-CD2 4.15Å; L36-Y41 HydrophobicContact CD2-CG 4.39Å; L36-Y41 PolarHBondContact O-N 2.88Å; A39-Y41 VanDerWaalsContact C-N 3.31Å; A39-Y41 HydrophobicContact CB-CD2 3.64Å; A39-Y41 HydrophobicContact CB-CE2 3.85Å; A39-Y41 PolarHBondContact O-N 3.48Å
42I80.4Confident73.1Confident65 Ų65122.7 Ų122.733%0.33363%0.625SS.*SBendtrans-109.9106174.4-59173.9000107T33 L36 A37 Y44T33-I42 HydrophobicContact CG2-CD1 3.97Å; L36-I42 HydrophobicContact CB-CD1 3.59Å; L36-I42 HydrophobicContact CB-CG1 3.89Å; L36-I42 HydrophobicContact CD1-CD1 4.17Å; L36-I42 PolarHBondContact O-N 2.9Å; A37-I42 HydrophobicContact CB-CB 4.43Å; I42-Y44 PolarHBondContact O-N 3.32Å
43P73.8Confident70.8Confident111 Ų111126.1 Ų126.172%0.72165%0.649SS**  trans-55.7126.7171-19.129.7000108.5
44Y61.1Low68.1Low184 Ų184127.3 Ų127.372%0.72266%0.66SS**  trans-55.8127.6168.9-156.9-98.1000106.3I42 K46I42-Y44 PolarHBondContact O-N 3.32Å; Y44-K46 VanDerWaalsContact C-N 3.32Å; Y44-K46 PolarHBondContact O-N 2.9Å
45P67.4Low66.4Low98 Ų98126.1 Ų126.164%0.63667%0.667SS**  trans-55.9109.4169.723.3-29.6000105E47P45-E47 VanDerWaalsContact C-N 3.3Å; P45-E47 PolarHBondContact O-N 2.83Å
46K53Low63.7Low192 Ų192128.4 Ų128.484%0.83569%0.687SS**  trans-56.3108.4170.8-77.4175178.8173.30103.6Y44 E48Y44-K46 VanDerWaalsContact C-N 3.32Å; Y44-K46 PolarHBondContact O-N 2.9Å; K46-E48 PolarHBondContact O-N 3.35Å
47E55.1Low61.5Low154 Ų154131 Ų13172%0.7271%0.707SS**  trans-5699.4163.5-74.3-177.7162.700104.3P45 L49P45-E47 VanDerWaalsContact C-N 3.3Å; P45-E47 PolarHBondContact O-N 2.83Å; E47-L49 PolarHBondContact O-N 2.95Å
48E48.4Very low59.6Low172 Ų172133.8 Ų133.880%0.80473%0.73SS**  trans-51.299.3155.4-74.5-98.3151.900103.9K46 P50K46-E48 PolarHBondContact O-N 3.35Å; E48-P50 VanDerWaalsContact O-CD 3.26Å; E48-P50 WeakPolarHBondContact O-CD 3.38Å
49L41.8Very low57.6Low143 Ų143130.7 Ų130.775%0.74973%0.727SS**  trans-40.9117.9173.3-72.7168000106.4E47 L51E47-L49 PolarHBondContact O-N 2.95Å; L49-L51 VanDerWaalsContact C-N 3.32Å; L49-L51 PolarHBondContact O-N 3.26Å
50P45.8Very low55.4Low125 Ų125133.3 Ų133.381%0.81274%0.742SS**  trans-55.7103.9177.1-27.735.6000108E48 R52E48-P50 VanDerWaalsContact O-CD 3.26Å; E48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-R52 PolarHBondContact O-N 2.98Å
51L45.6Very low54Low149 Ų149137 Ų13778%0.7875%0.754SS**  trans-56.8110.9172.8-69.9177.1000105.7L49 S53L49-L51 VanDerWaalsContact C-N 3.32Å; L49-L51 PolarHBondContact O-N 3.26Å; L51-S53 PolarHBondContact O-N 2.97Å; L51-S53 PolarHBondContact O-OG 3.48Å; L51-S53 VanDerWaalsContact O-OG 3.09Å
52R49.5Very low52.2Low237 Ų237133 Ų13389%0.89476%0.758SS**  trans-14.395.3171-75.1-82.9170.591.3-3.8112.2P50P50-R52 PolarHBondContact O-N 2.98Å
53S45.8Very low50.6Low121 Ų121133.7 Ų133.785%0.84678%0.781SS**  trans-110.978.8168.1-600000108.2L51L51-S53 PolarHBondContact O-N 2.97Å; L51-S53 PolarHBondContact O-OG 3.48Å; L51-S53 VanDerWaalsContact O-OG 3.09Å
54S37.2Very low49.7Very low97 Ų97134.9 Ų134.968%0.67879%0.787SS**  trans-141.3112.7163.655.60000108.2
55P56.2Low49.3Very low123 Ų123133 Ų13380%0.79979%0.788SS**  trans-81.5139177.231-29.1000111.1
56S40.8Very low48Very low113 Ų113134.6 Ų134.679%0.7979%0.791SS**  trans104.5155153.5-42.50000117.6
57P46.7Very low47.8Very low119 Ų119130.9 Ų130.977%0.77379%0.789SS**  cis-127.3163.3-3.334.2-15.6000115.5N59P57-N59 PolarHBondContact O-N 3.44Å
58A51.2Low47.5Very low103 Ų103131 Ų13185%0.85180%0.795SS**  trans-70.2106.3169.200000111.5
59N49.2Very low47.4Very low139 Ų139125.9 Ų125.974%0.74379%0.788SS**  -171.912912780.973.9000108.3P57P57-N59 PolarHBondContact O-N 3.44Å
60S43.4Very low47.5Very low113 Ų113130.8 Ų130.879%0.7980%0.797SS**  trans-179.3100.2140.3-81.70000105.9
61T55.3Low47.3Very low136 Ų136132.3 Ų132.383%0.83480%0.798SS**  trans-73130.1178.4-57.30000109.5
62A48.3Very low47Very low99 Ų99129.9 Ų129.982%0.81880%0.799SS**  trans58.4121.714900000119.9
63G46.6Very low46.5Very low79 Ų79121.5 Ų121.581%0.81479%0.786SS**  trans-171.979.7160.500000110.3
64T56.1Low46.2Very low136 Ų136125.6 Ų125.683%0.83479%0.789SS**  trans-65.7141.3165.457.50000109.4
65I51.3Low46.1Very low146 Ų146126.4 Ų126.475%0.74980%0.795SS**  trans167.8106.7140.4-169.3100000109.4
66D40.2Very low45.2Very low131 Ų131127.6 Ų127.670%0.70180%0.795SS**  trans31.5132.4136.5-39.9-40.1000120.2
67S49.6Very low45.2Very low114 Ų114129.6 Ų129.680%0.79780%0.795SS**  174.8144.794.1-71.50000112.6
68D48.4Very low44.6Very low157 Ų157128.4 Ų128.484%0.8480%0.795SS**  trans-64179.2178.9-59.2-71000115.1
69G46.8Very low43.8Very low63 Ų63129 Ų12965%0.64979%0.793SS**  trans-56.7-172.2-174.500000117.8
70W43.6Very low43.1Very low247 Ų247127.5 Ų127.594%0.93679%0.793SS**  -156.4163.463.7-65.3-14.3000112.8
71D41.3Very low42.9Very low156 Ų156128.6 Ų128.683%0.83480%0.795SS**  trans-47.7152.2156.7179.838.1000114.1
72A38.5Very low42.5Very low98 Ų98127.8 Ų127.881%0.8179%0.792SS**  trans-167.5115.8149.800000111.7
73G39.4Very low42.2Very low61 Ų61130.6 Ų130.663%0.62979%0.793SS**  trans-83.1165.816700000115.1
74F39.5Very low42.2Very low207 Ų207132.5 Ų132.591%0.90879%0.791SS**  trans23.4128154.4-67.9-90.4000121.6
75S35.4Very low41.3Very low115 Ų115132.2 Ų132.280%0.80479%0.788SS**  170.8114.4114.5-71.90000113.5
76D37.6Very low40.7Very low148 Ų148130 Ų13079%0.79179%0.786SS**  54.5143.6120.9-112-21000126.2
77I40.8Very low40.7Very low155 Ų155128.8 Ų128.880%0.79578%0.779SS**  trans72.9116.1157.512.486000127.3
78A33.3Very low40.5Very low93 Ų93132.2 Ų132.277%0.76978%0.775SS**  86.5119.6127.500000125.8
79S34.8Very low40.6Very low115 Ų115130.2 Ų130.280%0.80477%0.772SS**  trans87109.3130.1-164.30000122.3
80S35.3Very low40Very low108 Ų108136.3 Ų136.376%0.75578%0.781SS**  156.8112111.9670000115.5
81V39.8Very low40.3Very low136 Ų136129.4 Ų129.482%0.82477%0.77SS**  trans-0.1154.7149.6-129.20000119.8
82P45.8Very low40.3Very low120 Ų120129.4 Ų129.478%0.77977%0.765SS**  cis-145.7165.629.840-17.1000121.5
83L41.7Very low40.2Very low158 Ų158132.2 Ų132.283%0.82777%0.765SS**  trans-66.8172.2169.4-63.7167.8000113
84P46.6Very low40.3Very low118 Ų118137 Ų13777%0.76677%0.771SS**  -150.4144.496.241.8-24.2000118
85V37.6Very low40.9Very low130 Ų130132.3 Ų132.379%0.78876%0.761SS**  trans59.2140.6148.8-113.90000120.5
86S38.1Very low40.9Very low99 Ų99133.4 Ų133.469%0.69276%0.764SS**  cis-160.9123.820.9-175.50000108.6
87D40.8Very low41.4Very low106 Ų106134.1 Ų134.157%0.56777%0.766SS**  55.6131.978.5-88.5-18.1000114.4
88R46.2Very low41.7Very low187 Ų187135 Ų13571%0.70677%0.772SS**  cis-164137.66.1-88.3157.6-163.4-81.2-15.9107
89C50.1Low42.1Very low114 Ų114139 Ų13977%0.7778%0.775SS**  48.7128.790.9-59.10000116.8
90F34.5Very low42.2Very low192 Ų192144.7 Ų144.784%0.84278%0.779SS**  -177.5135.8109.7-114.9-93.4000113.5
91S49Very low42.3Very low101 Ų101143.2 Ų143.271%0.70677%0.773SS**  trans-73.1151.3169.947.70000113.3
92H41.4Very low42.8Very low156 Ų156146 Ų14672%0.72277%0.774SS**  trans145.9123.3139.2-172.3-109.4000111.1
93L36.3Very low42.7Very low157 Ų157146.1 Ų146.182%0.82278%0.775SS**  170.1141.7128.3-84.9155.6000112.1
94Q41.5Very low42.8Very low161 Ų161143.6 Ų143.675%0.75277%0.771SS**  trans-65.7169.9-174.4-76.5-80.8-25.500115.8
95P52.2Low42.4Very low109 Ų109145.3 Ų145.371%0.70877%0.773SS**  trans-88.6131.3-178.233.4-25.8000112
96T36.6Very low42.7Very low138 Ų138148.7 Ų148.785%0.84778%0.778SS**  trans-127.2137.5170.451.40000111.9
97L47.5Very low43.2Very low163 Ų163151 Ų15185%0.85378%0.781SS**  trans-51.8148.8178.5-59.6-179.7000113
98L47.9Very low43.5Very low175 Ų175153.1 Ų153.192%0.91679%0.792SS**  -172.3154.1123.4-95.3171.1000112.1
99Q39.7Very low43Very low176 Ų176151.9 Ų151.982%0.82280%0.799SS**  trans-85.1150.9-162.8-65.5173.7-1700114.9
100R38.6Very low42.7Very low234 Ų234156 Ų15688%0.88380%0.798SS**  45.8118.3125.5-161.8174.2-166.2107.80.4119.5
101A36.2Very low43.2Very low77 Ų77156.9 Ų156.964%0.63680%0.802SS**  164.8124.9107.500000115.8
102K49.9Very low43.1Very low195 Ų195160.5 Ų160.585%0.84881%0.805SS**  trans64.3139.3138.4-62.4163.7-178170.60121.9
103P44.3Very low43.1Very low122 Ų122160.1 Ų160.179%0.79281%0.814SS**PPolyproline II helixtrans-84139.3171.134.3-31.9000112.6
104S44.8Very low43.5Very low106 Ų106158.3 Ų158.374%0.74181%0.805SS**PPolyproline II helixtrans-83.7133.6177.456.80000112.2
105N36.8Very low43.8Very low153 Ų153159.1 Ų159.182%0.81881%0.806SS**PPolyproline II helixtrans-70.6143171.8-76.6-100.5000111.3
106F43.5Very low43.5Very low202 Ų202161.5 Ų161.589%0.88681%0.812SS**  trans-116.4109.1155.1-92.2-88.3000109.1
107L50.5Low44.2Very low147 Ų147164.5 Ų164.577%0.7781%0.814SS**  trans-98.1141.3153.2-99.6177.2000105.1
108L45.8Very low44.1Very low150 Ų150166 Ų16679%0.78581%0.813SS**  -170140.964.8-72.8164.5000108
109D35.3Very low44.3Very low162 Ų162167.1 Ų167.187%0.86681%0.811SS**  -151.8159.6123.5-146.4-83.2000110.6
110R43.8Very low44.8Very low199 Ų199167.2 Ų167.275%0.75181%0.808SS**  trans-126.4124.7-136.9166.5150.962.7172.52.5109
111K45.9Very low45.4Very low212 Ų212164.7 Ų164.792%0.92280%0.804SS**  trans-148.2113.1149.9-152.7150.8174.1177.80111.8
112K47.2Very low45.7Very low176 Ų176171.8 Ų171.877%0.76581%0.814SS**  trans-83.5140.2174.3-67.7174.9172-178.60109.3
113T41.6Very low45.3Very low148 Ų148170.3 Ų170.391%0.90881%0.808SS**  trans-135127.414043.40000108.8
114D43.7Very low45.1Very low120 Ų120174.5 Ų174.564%0.64281%0.808SS**  trans-95.2173.8-175.3-175.1-122000110.2
115K47Very low44.9Very low177 Ų177179.5 Ų179.577%0.7781%0.81SS**  trans83.2130.9171.2-39.1-71.4175.5-150.90113.4
116L47.6Very low44.9Very low159 Ų159178.1 Ų178.183%0.83280%0.803SS**  cis-167.1138.418.2-175.361000109.7
117K49.8Very low44.5Very low202 Ų202173.7 Ų173.788%0.87880%0.797SS**  trans-61.5134.3166.3-71.9175.9172.4173.60111.1
118K47.1Very low43.8Very low194 Ų194174.1 Ų174.184%0.84380%0.8SS**  trans-147.499.2146.4-156164.5-176.8169.60113
119K50.6Low43.4Very low199 Ų199171 Ų17187%0.86580%0.796SS**  trans-62.5123.1160-173178.2-175.7174.40108.5
120K51.8Low43.7Very low178 Ų178169.3 Ų169.377%0.77479%0.793SS**  trans-140.7104.5157-166.7168.1178.6174.10111.1
121K50Low43Very low180 Ų180163.1 Ų163.178%0.78379%0.792SS**  trans-82.7125.9165.3165.5-178.6179176.20109
122R43.6Very low42.7Very low226 Ų226162.5 Ų162.585%0.85379%0.789SS**  trans-166.1113149.6-70.4-157.2167.3-152.1-4.2105.3
123K41.2Very low42Very low164 Ų164163.1 Ų163.171%0.71380%0.795SS**  66.8106.556.2-163.4172.2178.7177.20114.9
124R39.2Very low41.5Very low210 Ų210159.4 Ų159.479%0.79279%0.786SS**  trans67.7144.6151.8-72.4-176.6-178.3-146.8-0.8116.8
125R41.5Very low40.8Very low211 Ų211162.3 Ų162.380%0.79679%0.789SS**  cis-147.3148.926.3-100.5169.6168.8-86.15107
126D35.5Very low40.1Very low125 Ų125163.2 Ų163.267%0.66879%0.788SS**  70.7110.865.9-151.8-96.7000114.7
127S36.3Very low39.2Very low108 Ų108159.1 Ų159.176%0.75578%0.784SS**  trans16497150.155.80000108.5
128D34.9Very low38.1Very low157 Ų157153 Ų15384%0.8478%0.778SS**  79.6133.985-101.6-51.9000115.8
129A38.5Very low37.3Very low84 Ų84151.4 Ų151.469%0.69478%0.778SS**  trans-73.3-166.5177.800000110.4
130P42Very low37Very low126 Ų126149 Ų14982%0.81877%0.774SS**  cis-155.1173.239.738-12.9000118.7
131G28.5Very low36Very low69 Ų69148.5 Ų148.571%0.71177%0.772SS**  89.4116.9128.200000120.1
132K39.2Very low35.3Very low200 Ų200147.1 Ų147.187%0.8777%0.772SS**  -154.2108.9119.8-61.4-147.9178.5-159.10106.7
133E32.4Very low34.6Very low188 Ų188144.8 Ų144.888%0.87977%0.771SS**  49.7106.788.1-160.4174.3-160.100110.4
134G31.2Very low34.2Very low71 Ų71141.3 Ų141.373%0.73277%0.773SS**  94.2121.757.200000107.7
135Y29.2Very low33.9Very low181 Ų181137.5 Ų137.571%0.7177%0.773SS**  trans156.9135.6148.3-171.9-108.5000114.6
136R31.8Very low33.5Very low195 Ų195134.4 Ų134.474%0.73677%0.772SS**  trans12.9144160-78.8-161.5-96.4-91.35.8119.7
137G28Very low34.1Very low73 Ų73133.9 Ų133.975%0.75378%0.776SS**  cis125.1127.922.100000110.2
138G28.3Very low33.9Very low73 Ų73138.4 Ų138.475%0.75378%0.778SS**  trans88.7146.9145.400000120.2
139L30Very low33.9Very low161 Ų161136 Ų13684%0.84377%0.768SS**  trans72.1121.2155.7-111.977.6000115.7
140L44.2Very low33.5Very low150 Ų150139.9 Ų139.979%0.78577%0.772SS**  -151.5127.952.6-66.5157.5000108.2
141K29.9Very low33Very low166 Ų166139.6 Ų139.672%0.72277%0.768SS**  59.8100.978.7-155.4163.7-176.4172.10111.5
142L35.8Very low33.8Very low152 Ų152141.5 Ų141.580%0.79677%0.768SS**  51.7124.396.9-59.3163000110.5
143E29Very low33.3Very low177 Ų177138 Ų13883%0.82776%0.764SS**  -161.8152.364.4-71.9-171.3116.900108.7
144A33.1Very low33.6Very low90 Ų90134.5 Ų134.574%0.74476%0.76SS**  -158.1117.875.400000113
145T32.4Very low34.3Very low131 Ų131136.5 Ų136.580%0.80476%0.76SS**  63.497.1127-14.30000120
146D33.7Very low34.3Very low145 Ų145134.2 Ų134.278%0.77577%0.765SS**  trans-37.9174.1136.9-117.4-26.6000113.9
147P47.6Very low34.5Very low115 Ų115132.4 Ų132.475%0.74777%0.769SS**  cis-138.2162.831.934-11.8000115.7
148Y31.4Very low34.8Very low202 Ų202138.2 Ų138.279%0.79278%0.777SS**  171.7101.8111.1-166.4-102.7000112.9
149V36.8Very low34.9Very low107 Ų107140.9 Ų140.965%0.64877%0.774SS**  trans74.894.9134.8-176.20000119.9
150E28.6Very low35.4Very low166 Ų166139.9 Ų139.978%0.77677%0.768SS**  trans-18.9144.5131.2-80.3-174.8135.500115.7
151T31.2Very low35.4Very low120 Ų120138.5 Ų138.574%0.73677%0.768SS**  174.2178.264.8-1.40000107.3
152P46.3Very low35.5Very low108 Ų108139.8 Ų139.870%0.70178%0.776SS**  trans-114.1-140.4-142.232.3-6.8000111.2
153T28.5Very low35.4Very low127 Ų127137.1 Ų137.178%0.77978%0.776SS**  trans8996.9166.818.10000118.4
154S38.6Very low36.1Very low114 Ų114134.4 Ų134.480%0.79777%0.774SS**  -72.1151.1125.3-550000107.6
155P46.5Very low36.3Very low113 Ų113135 Ų13573%0.73477%0.773SS**  -153.3177.852.937.5-14.8000116.6
156T28.5Very low36.5Very low133 Ų133136.6 Ų136.682%0.81678%0.776SS**  158.2146126.6-61.50000113.7
157L37.1Very low37.1Very low157 Ų157135.1 Ų135.182%0.82278%0.775SS**  trans-69.3161.6-169.5-63.5170.4000118.7
158Q34.4Very low36.8Very low196 Ų196135.9 Ų135.992%0.91678%0.781SS**  trans177141.6133-93.1167.251.300107
159D29.6Very low37.1Very low129 Ų129131.3 Ų131.369%0.6978%0.779SS**  cis-173122-9.4-165.843.4000106.7
160I39.5Very low36.9Very low140 Ų140129.3 Ų129.372%0.71878%0.78SS**  trans52.8157136.2-62.3176.9000122
161P44.4Very low37.4Very low120 Ų120132.9 Ų132.978%0.77979%0.786SS**  cis-127.9166.2-7.921.41.4000118.2
162Q32.5Very low37.6Very low194 Ų194133.9 Ų133.991%0.90779%0.787SS**  trans-69159.8167.6-58.6168.8-77.600115.8
163A34.3Very low37.9Very low95 Ų95132.6 Ų132.679%0.78578%0.781SS**  -175.1171.9126.100000110.1
164P43.8Very low38.5Very low121 Ų121133.2 Ų133.279%0.78678%0.779SS**  -124.8176.6-93.331.3-9.9000114.9
165S36.6Very low38.9Very low103 Ų103133.1 Ų133.172%0.7277%0.774SS**  trans-49.9144.617652.50000117.4
166D36.3Very low38.8Very low164 Ų164134.1 Ų134.188%0.87778%0.78SS**  trans-121.1130.8154.1-82.8-45.2000111.7
167P47.4Very low39.5Very low114 Ų114132.9 Ų132.974%0.7478%0.777SS**  trans-90.3156.9177.27.511.7000113.5
168C41.7Very low39.7Very low131 Ų131131.4 Ų131.489%0.88578%0.78SS**  trans-80.3122.5170.8-173.80000111.8
169S36.8Very low39.5Very low106 Ų106125.5 Ų125.574%0.74177%0.771SS**  trans-175.6126.7149.936.40000107.8
170G33.1Very low40.1Very low65 Ų65125 Ų12567%0.6778%0.778SS**  100.9148.98500000108.8
171W39.3Very low39.8Very low240 Ų240123.5 Ų123.591%0.90978%0.779SS**  trans32.9131.4161.966.22.1000121.8
172D35.2Very low39.3Very low141 Ų141121.9 Ų121.975%0.75478%0.776SS**  171.3167.989.5-162.2-133000111.2
173S52.3Low39.1Very low81 Ų81119 Ų11957%0.56677%0.772SS**  trans-101.2176.7-151.9-48.30000113.5
174D41.4Very low39Very low141 Ų141121 Ų12175%0.75477%0.773SS**  trans78.9114.2145.3-65.8-47.1000122.1
175T45.3Very low38.8Very low112 Ų112120.4 Ų120.469%0.68777%0.773SS**  48.4135.2115.2-33.40000120.2
176P45.7Very low39.6Very low133 Ų133121 Ų12186%0.86477%0.774SS**  trans-127.6139.113133.7-22000113.6
177S42.4Very low39.5Very low107 Ų107120.5 Ų120.575%0.74877%0.771SS**  trans-91.2147.2173.3172.60000111.1
178S41.1Very low39.4Very low127 Ų127123 Ų12389%0.88877%0.773SS**  trans157.4133.9144.9-73.10000109.4
179G31.3Very low39.2Very low71 Ų71122.6 Ų122.673%0.73277%0.766SS**  cis174.5145.8-1.300000109.5
180S40.6Very low39.8Very low118 Ų118126.7 Ų126.783%0.82577%0.771SS**  trans37145.8142.3-1630000121.8
181C34Very low40.2Very low110 Ų110130 Ų13074%0.74377%0.769SS**  cis-168.6158.9-15.653.90000109.1
182A33.5Very low40.8Very low86 Ų86125.6 Ų125.671%0.71176%0.761SS**  trans83132.7146.300000124.3
183T28.9Very low41.2Very low133 Ų133127.3 Ų127.382%0.81676%0.762SS**  trans102109.1144.647.50000123.5
184V32.4Very low41Very low136 Ų136129.5 Ų129.582%0.82477%0.772SS**  trans57.8112143.6-1000000124.6
185S39.7Very low41Very low110 Ų110131.6 Ų131.677%0.76978%0.777SS**  53.3167.5124.5-135.40000122.4
186P52.7Low41.1Very low114 Ų114129 Ų12974%0.7477%0.773SS**  -118.1147.8-90.836.4-20.2000111.7
187D34.6Very low41.8Very low154 Ų154133.4 Ų133.482%0.82478%0.779SS**  trans-150.6145.4154-151.77.6000113.1
188Q44.8Very low42.3Very low166 Ų166135.5 Ų135.578%0.77677%0.77SS**  trans-67.6129.2-172.2-59.2169.442.600110.3
189V37Very low43.1Very low124 Ų124134.2 Ų134.275%0.75276%0.757SS**  trans-144113.6145.1119.70000109.3E191V189-E191 HydrophobicContact CG1-CB 4.33Å; V189-E191 PolarHBondContact O-N 2.85Å
190K51.2Low44.4Very low192 Ų192134.4 Ų134.484%0.83574%0.74SS**  trans-69104.7165.1-66.3171.8179.2177.70106.1
191E41.3Very low45.4Very low135 Ų135132.9 Ų132.963%0.63173%0.726SS**  trans-118.196164.3-154.6177.2157.200109.2V189 K193V189-E191 HydrophobicContact CG1-CB 4.33Å; V189-E191 PolarHBondContact O-N 2.85Å; E191-K193 PolarHBondContact O-N 3.25Å; E191-K193 WeakPolarHBondContact OE1-CE 3.44Å; E191-K193 IonicContact OE1-NZ 3.26Å
192I51.6Low46.9Very low146 Ų146137 Ų13775%0.74973%0.726SS**  trans-82.196.4171-59.2155.8000105.1T194I192-T194 HydrophobicContact CG2-CG2 4.09Å
193K42.3Very low47.9Very low178 Ų178140.6 Ų140.677%0.77473%0.728SS**  trans-94.999.8164.4-96-179.3176.1170.60108.7E191 E195E191-K193 PolarHBondContact O-N 3.25Å; E191-K193 WeakPolarHBondContact OE1-CE 3.44Å; E191-K193 IonicContact OE1-NZ 3.26Å; K193-E195 PolarHBondContact O-N 2.95Å
194T49.5Very low49.9Very low127 Ų127138 Ų13878%0.77973%0.727SS**  trans-80.4106.6168.739.80000109.6I192I192-T194 HydrophobicContact CG2-CG2 4.09Å
195E41Very low51.5Low184 Ų184142 Ų14286%0.8673%0.734SS**  trans-141.3112.4155.3-151.5170.3-166.500107.8K193K193-E195 PolarHBondContact O-N 2.95Å
196G47.8Very low52.2Low57 Ų57143.4 Ų143.459%0.58873%0.728SS**SBendtrans92.7131.2-175.100000113.8R198G196-R198 PolarHBondContact O-N 3.07Å
197K60.2Low52.8Low227 Ų227141.1 Ų141.199%0.98771%0.712SS**SBendtrans-69.655-169.3-54.1164.6-179.6179.80114
198R53.5Low54.3Low151 Ų151137.8 Ų137.857%0.5770%0.697SS**  trans-124.6120.7179.160.8-172.4178.4154.1-0.6109.6G196 I200G196-R198 PolarHBondContact O-N 3.07Å; R198-I200 HydrophobicContact CG-CD1 4.43Å; R198-I200 HydrophobicContact CG-CG1 4.4Å; R198-I200 PolarHBondContact O-N 3.02Å
199T57.6Low54.9Low100 Ų100135.7 Ų135.761%0.61369%0.685SS**EExtended strand (participates in β ladder)trans-85.2111.6175.256.70000108.6
200I57.9Low56.3Low75 Ų75139.3 Ų139.339%0.38569%0.686SS.*EExtended strand (participates in β ladder)trans-99.998.8176.6-56.8171.1000106.9R198 R202 F209R198-I200 HydrophobicContact CG-CD1 4.43Å; R198-I200 HydrophobicContact CG-CG1 4.4Å; R198-I200 PolarHBondContact O-N 3.02Å; I200-R202 HydrophobicContact CG2-CG 4.46Å; I200-F209 HydrophobicContact CD1-CE1 4.1Å; I200-F209 HydrophobicContact CG1-CD1 4.2Å; I200-F209 HydrophobicContact CG1-CE1 4.17Å; I200-F209 HydrophobicContact CG2-CE1 4.42Å
201V62.3Low56.6Low85 Ų85136.1 Ų136.152%0.51568%0.678SS.*EExtended strand (participates in β ladder)trans-93.8115.7177.3-174.70000108.6Q203V201-Q203 HydrophobicContact CG1-CG 4.26Å
202R65.4Low57.7Low196 Ų196138.6 Ų138.674%0.7469%0.689SS**EExtended strand (participates in β ladder)trans-95.1112175.2-50.1-171.6102.1146.22.7108.9I200 V207I200-R202 HydrophobicContact CG2-CG 4.46Å; R202-V207 HydrophobicContact CG-CG1 4.04Å
203Q54Low57.9Low162 Ų162138.4 Ų138.476%0.75769%0.69SS**EExtended strand (participates in β ladder)trans-117.4105166-66.2-167.518.800108.7V201V201-Q203 HydrophobicContact CG1-CG 4.26Å
204G71.2Confident58.6Low78 Ų78135.5 Ų135.580%0.80469%0.692SS**THydrogen-bonded Turntrans62-139.2179.400000113.7Q206G204-Q206 PolarHBondContact O-N 3.25Å
205K66.7Low59.1Low222 Ų222135.3 Ų135.397%0.96569%0.691SS**THydrogen-bonded Turntrans-79.73.5-171.1-159.5134.7-179.6179.10114.6
206Q53.7Low60.1Low138 Ų138129.8 Ų129.865%0.64568%0.683SS**EExtended strand (participates in β ladder)trans-119.8130.6-178.4-167172.8-15.600110.2G204 V208G204-Q206 PolarHBondContact O-N 3.25Å; Q206-V208 HydrophobicContact CG-CG2 4.17Å
207V64.4Low60.6Low66 Ų66132.7 Ų132.740%0.469%0.685SS.*EExtended strand (participates in β ladder)trans-103116.4169.5-84.10000107.6R202 F209R202-V207 HydrophobicContact CG-CG1 4.04Å; V207-F209 HydrophobicContact CB-CE2 4.31Å; V207-F209 HydrophobicContact CG2-CE2 4.18Å
208V65.9Low60.6Low84 Ų84128.2 Ų128.251%0.50967%0.672SS.*EExtended strand (participates in β ladder)trans-103.7116.5175.3-174.10000107.1Q206Q206-V208 HydrophobicContact CG-CG2 4.17Å
209F58.5Low61Low122 Ų122128.3 Ų128.354%0.53568%0.679SS.*EExtended strand (participates in β ladder)trans-87.3116.9170.4-61.2-88.7000106.8I200 V207I200-F209 HydrophobicContact CD1-CE1 4.1Å; I200-F209 HydrophobicContact CG1-CD1 4.2Å; I200-F209 HydrophobicContact CG1-CE1 4.17Å; I200-F209 HydrophobicContact CG2-CE1 4.42Å; V207-F209 HydrophobicContact CB-CE2 4.31Å; V207-F209 HydrophobicContact CG2-CE2 4.18Å
210R66.6Low61.2Low201 Ų201130 Ų13076%0.75869%0.685SS**EExtended strand (participates in β ladder)trans-111.5103174.8-169.5171.9-172.4154.91.4107.7
211D56.1Low61.4Low125 Ų125133.5 Ų133.567%0.66870%0.702SS**  trans-81.1121.8170.2-61.8-56.4000108.1D213D211-D213 PolarHBondContact O-N 2.98Å
212E65.3Low61.7Low186 Ų186136.9 Ų136.987%0.86971%0.714SS**SBendtrans-93.770.2176.8-170.5-172.2113.600108.9
213D55.3Low61.9Low142 Ų142132.8 Ų132.876%0.75971%0.711SS**  trans-161.769.3160.1-99.3-24.5000108.1D211D211-D213 PolarHBondContact O-N 2.98Å
214S57.4Low62.4Low118 Ų118131.3 Ų131.383%0.82571%0.708SS**  trans-10563.2161-60.40000107.6G216S214-G216 VanDerWaalsContact C-N 3.28Å; S214-G216 PolarHBondContact O-N 2.77Å
215T59.8Low61.9Low123 Ų123133.2 Ų133.276%0.75571%0.709SS**  trans-66.599.4159.341.60000106.8N217T215-N217 PolarHBondContact O-N 2.81Å
216G62.1Low61.6Low68 Ų68129.2 Ų129.270%0.70170%0.698SS**  trans-53.3101.9168.800000109.9S214S214-G216 VanDerWaalsContact C-N 3.28Å; S214-G216 PolarHBondContact O-N 2.77Å
217N59.1Low62.2Low118 Ų118127.5 Ų127.563%0.63169%0.693SS**  trans-128.765.6145.1179.84.4000105.3T215 E219T215-N217 PolarHBondContact O-N 2.81Å; N217-E219 PolarHBondContact O-N 3.47Å; N217-E219 WeakPolarHBondContact OD1-CB 3.31Å; N217-E219 WeakPolarHBondContact OD1-CG 3.48Å; N217-E219 PolarHBondContact OD1-N 2.82Å; N217-E219 VanDerWaalsContact OD1-N 3.12Å
218D59.3Low62.4Low133 Ų133129.7 Ų129.771%0.71170%0.703SS**  trans-79.354.7154.956.4-28.5000108.3D220D218-D220 PolarHBondContact O-N 3.5Å
219E63.4Low62.7Low152 Ų152128.8 Ų128.871%0.7170%0.701SS**  trans-64.698.3156.4-78.1-177.2-165.500105.9N217 I221N217-E219 PolarHBondContact O-N 3.47Å; N217-E219 WeakPolarHBondContact OD1-CB 3.31Å; N217-E219 WeakPolarHBondContact OD1-CG 3.48Å; N217-E219 PolarHBondContact OD1-N 2.82Å; N217-E219 VanDerWaalsContact OD1-N 3.12Å; E219-I221 PolarHBondContact O-N 3.06Å
220D61Low63.1Low137 Ų137132.8 Ų132.873%0.73371%0.712SS**  trans-43.393.8156.2-69.1-48.3000107D218 M222D218-D220 PolarHBondContact O-N 3.5Å; D220-M222 HydrophobicContact CB-CG 4.32Å; D220-M222 PolarHBondContact O-N 2.99Å
221I62Low63.3Low148 Ų148128 Ų12876%0.75970%0.702SS**  trans-66.886.4163.9-55.5175.1000103.2E219 V223E219-I221 PolarHBondContact O-N 3.06Å; I221-V223 HydrophobicContact CG2-CG2 4.03Å; I221-V223 PolarHBondContact O-N 3.42Å
222M68.1Low64.6Low156 Ų156127.1 Ų127.177%0.76870%0.696SS**  trans-60.880.5169.3-68.1-101.2-72.500105.6D220 D224D220-M222 HydrophobicContact CB-CG 4.32Å; D220-M222 PolarHBondContact O-N 2.99Å; M222-D224 VanDerWaalsContact C-N 3.26Å; M222-D224 PolarHBondContact O-N 3.34Å
223V69.2Low65.5Low109 Ų109122.1 Ų122.166%0.66168%0.679SS**  trans-63.1102.4163.3176.60000103.2I221 S225I221-V223 HydrophobicContact CG2-CG2 4.03Å; I221-V223 PolarHBondContact O-N 3.42Å; V223-S225 PolarHBondContact O-N 3.22Å; V223-S225 PolarHBondContact O-OG 3.18Å; V223-S225 VanDerWaalsContact O-OG 3.09Å
224D64.4Low67.1Low131 Ų131118 Ų11870%0.70166%0.658SS**  trans-45.5107.4174.6-69.5-43000107.1M222 D226M222-D224 VanDerWaalsContact C-N 3.26Å; M222-D224 PolarHBondContact O-N 3.34Å; D224-D226 PolarHBondContact O-N 3.47Å
225S62.1Low68.8Low118 Ų118112.6 Ų112.683%0.82562%0.62SS**THydrogen-bonded Turntrans-76.312.1-171.3-59.50000112.1V223V223-S225 PolarHBondContact O-N 3.22Å; V223-S225 PolarHBondContact O-OG 3.18Å; V223-S225 VanDerWaalsContact O-OG 3.09Å
226D60.2Low70.4Confident138 Ų138111 Ų11174%0.73860%0.603SS**THydrogen-bonded Turntrans-105.626.7-177.1-63.7-33000111.9D224 D228D224-D226 PolarHBondContact O-N 3.47Å; D226-D228 PolarHBondContact O-N 3.19Å
227D66.7Low71.8Confident102 Ų102109.6 Ų109.655%0.54558%0.583SS.*  trans-75.372.5168.1-167.729.7000110S229D227-S229 PolarHBondContact O-N 2.86Å; D227-S229 WeakPolarHBondContact OD1-CB 3.37Å; D227-S229 PolarHBondContact OD1-OG 3.31Å; D227-S229 WeakPolarHBondContact OD2-CB 3.37Å
228D69Low73.3Confident113 Ų113111.6 Ų111.660%0.60459%0.59SS**G310 helixtrans-56.82.1172.7-79.4-33000113.2D226 W230 D231 L232D226-D228 PolarHBondContact O-N 3.19Å; D228-W230 PolarHBondContact O-N 2.94Å; D228-D231 PolarHBondContact O-N 3.32Å; D228-L232 VanDerWaalsContact O-CD1 3.32Å; D228-L232 WeakPolarHBondContact O-CD1 3.27Å; D228-L232 PolarHBondContact O-N 3.4Å
229S71.9Confident74.7Confident65 Ų65110.8 Ų110.846%0.45558%0.58SS.*G310 helixtrans-44.5-33.7174.5-75.90000114.2D227D227-S229 PolarHBondContact O-N 2.86Å; D227-S229 WeakPolarHBondContact OD1-CB 3.37Å; D227-S229 PolarHBondContact OD1-OG 3.31Å; D227-S229 WeakPolarHBondContact OD2-CB 3.37Å
230W66.6Low75.8Confident205 Ų205105.4 Ų105.478%0.77756%0.558SS**G310 helixtrans-81.3-19.3-178.2-59.8-3.7000113.7D228D228-W230 PolarHBondContact O-N 2.94Å
231D71.1Confident76.9Confident101 Ų101103.6 Ų103.654%0.5454%0.544SS..G310 helixtrans-98.54.6177.7-79.1-24.1000113.5D228 V233 P240D228-D231 PolarHBondContact O-N 3.32Å; D231-V233 PolarHBondContact O-N 3.35Å; D231-V233 VanDerWaalsContact O-N 3.13Å; D231-P240 HydrophobicContact CB-CB 4.28Å; D231-P240 WeakPolarHBondContact O-CB 3.49Å
232L82.3Confident78.1Confident106 Ų106100 Ų10056%0.55554%0.537SS*.  trans-61.7122171.6-86.594000111.3D228 T234D228-L232 VanDerWaalsContact O-CD1 3.32Å; D228-L232 WeakPolarHBondContact O-CD1 3.27Å; D228-L232 PolarHBondContact O-N 3.4Å; L232-T234 PolarHBondContact O-N 3.39Å; L232-T234 VanDerWaalsContact O-N 3.16Å
233V85.6Confident79Confident82 Ų8295.5 Ų95.550%0.49753%0.53SS..  trans-72.2108.5176.9175.30000109.5D231 M238D231-V233 PolarHBondContact O-N 3.35Å; D231-V233 VanDerWaalsContact O-N 3.13Å; V233-M238 VanDerWaalsContact CG1-CA 3.48Å; V233-M238 HydrophobicContact CG1-CB 4.44Å
234T87.6Confident80.1Confident54 Ų5494.1 Ų94.133%0.33151%0.513SS..  trans-109.3-19.9179.949.60000113L232 M246 T254 W255L232-T234 PolarHBondContact O-N 3.39Å; L232-T234 VanDerWaalsContact O-N 3.16Å; T234-M246 VanDerWaalsContact OG1-CE 3.23Å; T234-M246 WeakPolarHBondContact OG1-CE 3.48Å; T234-T254 WeakPolarHBondContact O-CG2 3.37Å; T234-W255 CarbonylContact C-O 3.56Å; T234-W255 VanDerWaalsContact C-O 3.28Å
235C93.9Very high81.5Confident5 Ų590.4 Ų90.43%0.03450%0.496CS..SBendtrans-96148.5-178.4-177.80000112.9C237 M238 M246 W255 H257C235-C237 PolarHBondContact O-N 3.23Å; C235-C237 PolarHBondContact SG-SG 3.27Å; C235-M238 PolarHBondContact O-N 2.9Å; C235-M246 HydrophobicContact CB-CE 3.97Å; C235-W255 VanDerWaalsContact CA-O 3.22Å; C235-W255 WeakPolarHBondContact CA-O 3.42Å; C235-W255 PolarHBondContact N-O 3.13Å; C235-H257 PolarHBondContact SG-ND1 3.44Å; C235-H257 VanDerWaalsContact SG-ND1 3.36Å
236F92.3Very high83Confident90 Ų9086.3 Ų86.340%0.39546%0.464SS..THydrogen-bonded Turntrans-61.5-12177.5-53.8-55.4000115.4M238 T254 I256 C274 K276F236-M238 PolarHBondContact O-N 3.01Å; F236-T254 HydrophobicContact CD1-CG2 4.48Å; F236-T254 HydrophobicContact CE1-CG2 3.85Å; F236-T254 HydrophobicContact CE2-CG2 4.37Å; F236-T254 HydrophobicContact CZ-CG2 3.77Å; F236-I256 HydrophobicContact CD2-CD1 3.78Å; F236-I256 HydrophobicContact CD2-CG1 4.43Å; F236-I256 HydrophobicContact CE2-CD1 3.36Å; F236-I256 HydrophobicContact CE2-CG1 4.21Å; F236-I256 HydrophobicContact CZ-CD1 4.34Å; F236-C274 HydrophobicContact CE2-CB 4.08Å; F236-K276 HydrophobicContact CD1-CD 3.87Å; F236-K276 VanDerWaalsContact CD1-CE 3.48Å; F236-K276 HydrophobicContact CD2-CD 4.12Å; F236-K276 HydrophobicContact CE1-CD 3.68Å; F236-K276 HydrophobicContact CE2-CD 3.92Å; F236-K276 HydrophobicContact CE2-CG 4.44Å; F236-K276 HydrophobicContact CG-CD 4.1Å; F236-K276 HydrophobicContact CZ-CD 3.72Å
237C92.1Very high84.7Confident39 Ų3980.5 Ų80.526%0.26443%0.433SS..THydrogen-bonded Turntrans-80.43.9174.671.10000113.4C235 K239 H257 C260C235-C237 PolarHBondContact O-N 3.23Å; C235-C237 PolarHBondContact SG-SG 3.27Å; C237-K239 HydrophobicContact CB-CD 4.37Å; C237-K239 PolarHBondContact O-N 2.95Å; C237-H257 VanDerWaalsContact SG-CE1 3.56Å; C237-H257 PolarHBondContact SG-ND1 2.83Å; C237-C260 VanDerWaalsContact SG-SG 3.67Å
238M90.2Very high86.1Confident159 Ų15979.1 Ų79.178%0.78342%0.423SS*.SBendtrans59.427.5178.2-52.1-176.387.400113.7V233 C235 F236V233-M238 VanDerWaalsContact CG1-CA 3.48Å; V233-M238 HydrophobicContact CG1-CB 4.44Å; C235-M238 PolarHBondContact O-N 2.9Å; F236-M238 PolarHBondContact O-N 3.01Å
239K88.6Confident87.4Confident117 Ų11773.8 Ų73.851%0.50940%0.395SS..  trans-114142179.4-67.3157-175.6179.80109.2C237 H257C237-K239 HydrophobicContact CB-CD 4.37Å; C237-K239 PolarHBondContact O-N 2.95Å; K239-H257 PolarHBondContact O-CE1 2.92Å
240P87.1Confident88.6Confident39 Ų3974.3 Ų74.325%0.25339%0.392SS..  trans-64.5-178.617628.2-35.5000111.7D231 A242 H257D231-P240 HydrophobicContact CB-CB 4.28Å; D231-P240 WeakPolarHBondContact O-CB 3.49Å; P240-A242 PolarHBondContact O-N 3.43Å; P240-H257 PolarHBondContact O-CE1 3.42Å; P240-H257 PolarHBondContact O-NE2 3.42Å
241F84.2Confident90Very high99 Ų9967.4 Ų67.443%0.43437%0.369SS..  trans-56.1-48.7177.7175.8-120.9000111.7G243 R244 M246F241-G243 PolarHBondContact O-N 3.4Å; F241-R244 WeakPolarHBondContact CE2-O 3.47Å; F241-R244 PolarHBondContact O-N 2.95Å; F241-M246 HydrophobicContact CD2-CG 3.99Å; F241-M246 HydrophobicContact CD2-SD 3.67Å; F241-M246 HydrophobicContact CE2-CG 4.24Å; F241-M246 HydrophobicContact CE2-SD 4.4Å
242A86.5Confident91.1Very high73 Ų7365 Ų6560%0.60336%0.359SS*.THydrogen-bonded Turntrans46.430.9176.900000114P240 R244P240-A242 PolarHBondContact O-N 3.43Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 2.9Å
243G88.3Confident91.7Very high61 Ų6163.9 Ų63.963%0.62935%0.351SS*.THydrogen-bonded Turntrans68.814.8-178.200000115.6F241F241-G243 PolarHBondContact O-N 3.4Å
244R91.4Very high92.1Very high79 Ų7961.6 Ų61.630%0.29834%0.337SS..  trans-91.1137.9-177.9-64.1169.371.9-1553.6110F241 A242 M246 H257 S259F241-R244 WeakPolarHBondContact CE2-O 3.47Å; F241-R244 PolarHBondContact O-N 2.95Å; A242-R244 VanDerWaalsContact C-N 3.27Å; A242-R244 PolarHBondContact O-N 2.9Å; R244-M246 WeakPolarHBondContact O-CG 3.45Å; R244-M246 PolarHBondContact O-N 3.44Å; R244-H257 PolarHBondContact NH1-ND1 3.39Å; R244-S259 PolarHBondContact NH2-OG 2.79Å
245P93.6Very high92.4Very high53 Ų5364.9 Ų64.934%0.34434%0.344SS..  trans-61.7138179.931.6-41000110.8H257 L258 K265P245-H257 WeakPolarHBondContact O-CA 3.37Å; P245-L258 HydrophobicContact CB-CD1 4.24Å; P245-L258 HydrophobicContact CB-CD2 4.11Å; P245-L258 HydrophobicContact CG-CB 4.19Å; P245-L258 HydrophobicContact CG-CD2 4.2Å; P245-L258 PolarHBondContact O-N 3.46Å; P245-K265 VanDerWaalsContact CG-CE 3.5Å; P245-K265 HydrophobicContact CG-CG 4.46Å
246M94.8Very high92.5Very high32 Ų3265 Ų6516%0.15834%0.344CS..EExtended strand (participates in β ladder)trans-124.2158.3-178.9-57-169.781.200111.5T234 C235 F241 R244 W255 I256T234-M246 VanDerWaalsContact OG1-CE 3.23Å; T234-M246 WeakPolarHBondContact OG1-CE 3.48Å; C235-M246 HydrophobicContact CB-CE 3.97Å; F241-M246 HydrophobicContact CD2-CG 3.99Å; F241-M246 HydrophobicContact CD2-SD 3.67Å; F241-M246 HydrophobicContact CE2-CG 4.24Å; F241-M246 HydrophobicContact CE2-SD 4.4Å; R244-M246 WeakPolarHBondContact O-CG 3.45Å; R244-M246 PolarHBondContact O-N 3.44Å; M246-W255 HydrophobicContact CB-CE3 3.67Å; M246-W255 HydrophobicContact CB-CZ3 4.31Å; M246-W255 VanDerWaalsContact CE-C 3.41Å; M246-W255 HydrophobicContact CE-CB 3.55Å; M246-W255 VanDerWaalsContact CE-O 3.24Å; M246-W255 WeakPolarHBondContact CE-O 3.47Å; M246-W255 HydrophobicContact SD-CB 4.19Å; M246-I256 CarbonylContact C-O 3.28Å; M246-I256 VanDerWaalsContact CA-O 3.25Å; M246-I256 WeakPolarHBondContact CA-O 3.31Å
247I95.8Very high92.7Very high17 Ų1760.7 Ų60.79%0.08733%0.325CS..EExtended strand (participates in β ladder)trans-132.7139.1174.7-173.4166.9000109.1I256 L258 A261 I263 V268 P269 F272I247-I256 WeakPolarHBondContact CG2-O 3.11Å; I247-I256 PolarHBondContact N-O 3.49Å; I247-I256 PolarHBondContact O-N 3.43Å; I247-L258 HydrophobicContact CB-CD1 3.85Å; I247-L258 HydrophobicContact CG2-CD1 4.01Å; I247-A261 HydrophobicContact CG2-CB 4.26Å; I247-I263 HydrophobicContact CD1-CD1 3.98Å; I247-I263 HydrophobicContact CG2-CD1 4.32Å; I247-V268 HydrophobicContact CD1-CG1 3.86Å; I247-P269 HydrophobicContact CD1-CG 4.42Å; I247-F272 HydrophobicContact CB-CD1 4.48Å; I247-F272 HydrophobicContact CD1-CB 3.38Å; I247-F272 HydrophobicContact CD1-CD1 4.12Å; I247-F272 HydrophobicContact CD1-CD2 4.37Å; I247-F272 HydrophobicContact CD1-CG 3.71Å; I247-F272 HydrophobicContact CG1-CB 3.89Å; I247-F272 HydrophobicContact CG1-CD1 4Å; I247-F272 HydrophobicContact CG1-CG 4.11Å; I247-F272 HydrophobicContact CG2-CD1 3.75Å; I247-F272 HydrophobicContact CG2-CE1 3.82Å; I247-F272 HydrophobicContact CG2-CG 4.27Å; I247-F272 HydrophobicContact CG2-CZ 4.41Å
248E95.9Very high92.8Very high73 Ų7359.4 Ų59.434%0.34132%0.315SS..EExtended strand (participates in β ladder)trans-83.3139.1176.7-168.4-175162.500111.1H253 W255E248-H253 IonicContact OE1-CE1 3.72Å; E248-H253 IonicContact OE1-CG 3.87Å; E248-H253 IonicContact OE1-ND1 3.53Å; E248-H253 PolarHBondContact OE1-ND1 3.23Å; E248-W255 HydrophobicContact CB-CD2 4.34Å; E248-W255 HydrophobicContact CB-CZ2 4.42Å
249C96.7Very high93Very high0 Ų055.2 Ų55.20%030%0.302CS..  trans-84.1128.1172.3-179.80000111.6E251 C252 H253 T254 F272 C274C249-E251 PolarHBondContact O-N 2.83Å; C249-E251 VanDerWaalsContact O-N 3.15Å; C249-C252 PolarHBondContact SG-SG 2.79Å; C249-H253 WeakPolarHBondContact O-CA 3.43Å; C249-H253 PolarHBondContact O-N 2.78Å; C249-T254 PolarHBondContact N-O 2.69Å; C249-F272 HydrophobicContact CB-CD1 4.49Å; C249-C274 HydrophobicContact CB-CB 4.13Å; C249-C274 PolarHBondContact SG-N 2.73Å
250N96.6Very high93.3Very high76 Ų7652.2 Ų52.241%0.40630%0.295SS..THydrogen-bonded Turntrans-68.7-14.6-179.2-75.3-11.6000115.3V271 F272N250-V271 WeakPolarHBondContact ND2-CA 3.37Å; N250-V271 WeakPolarHBondContact ND2-CG1 3.37Å; N250-F272 PolarHBondContact N-O 2.92Å
251E95.2Very high93.7Very high61 Ų6151.5 Ų51.529%0.28529%0.292SS..THydrogen-bonded Turntrans-98.4-51.9-179.2-65.7-171.3-16700112.1C249 V273 C277 K281C249-E251 PolarHBondContact O-N 2.83Å; C249-E251 VanDerWaalsContact O-N 3.15Å; E251-V273 VanDerWaalsContact CD-CG1 3.46Å; E251-V273 HydrophobicContact CG-CG1 3.96Å; E251-V273 HydrophobicContact CG-CG2 4.2Å; E251-V273 VanDerWaalsContact OE1-CG1 3.3Å; E251-V273 WeakPolarHBondContact OE1-CG1 3.41Å; E251-C277 HydrophobicContact CB-CB 4.04Å; E251-C277 HydrophobicContact CG-CB 4.47Å; E251-C277 WeakPolarHBondContact OE2-CB 3.48Å; E251-K281 VanDerWaalsContact CD-CE 3.43Å; E251-K281 VanDerWaalsContact OE1-CE 3.25Å; E251-K281 WeakPolarHBondContact OE1-CE 3.46Å; E251-K281 IonicContact OE1-NZ 2.77Å; E251-K281 PolarHBondContact OE1-NZ 2.77Å; E251-K281 WeakPolarHBondContact OE2-CE 3.39Å; E251-K281 IonicContact OE2-NZ 2.65Å; E251-K281 PolarHBondContact OE2-NZ 3.09Å
252C94.5Very high94.2Very high50 Ų5056 Ų5634%0.33831%0.312SS..THydrogen-bonded Turntrans-103.8-0.6-176.166.80000114.3C249 T254 C274 C277C249-C252 PolarHBondContact SG-SG 2.79Å; C252-T254 PolarHBondContact O-N 2.96Å; C252-T254 PolarHBondContact O-OG1 3.35Å; C252-T254 PolarHBondContact SG-OG1 2.87Å; C252-C274 VanDerWaalsContact SG-SG 3.69Å; C252-C277 VanDerWaalsContact SG-SG 3.65Å
253H94.6Very high94.6Very high82 Ų8253.9 Ų53.938%0.3829%0.29SS..  trans54.618-179.8-60.8-74.9000115.1K20 E248 C249K20-H253 PolarHBondContact NZ-CD2 3.46Å; K20-H253 PolarHBondContact NZ-NE2 3.42Å; E248-H253 IonicContact OE1-CE1 3.72Å; E248-H253 IonicContact OE1-CG 3.87Å; E248-H253 IonicContact OE1-ND1 3.53Å; E248-H253 PolarHBondContact OE1-ND1 3.23Å; C249-H253 WeakPolarHBondContact O-CA 3.43Å; C249-H253 PolarHBondContact O-N 2.78Å
254T94.3Very high94.9Very high34 Ų3460.5 Ų60.521%0.20930%0.296CS..  trans-80131177.7-49.70000109.5T234 F236 C249 C252 I256T234-T254 WeakPolarHBondContact O-CG2 3.37Å; F236-T254 HydrophobicContact CD1-CG2 4.48Å; F236-T254 HydrophobicContact CE1-CG2 3.85Å; F236-T254 HydrophobicContact CE2-CG2 4.37Å; F236-T254 HydrophobicContact CZ-CG2 3.77Å; C249-T254 PolarHBondContact N-O 2.69Å; C252-T254 PolarHBondContact O-N 2.96Å; C252-T254 PolarHBondContact O-OG1 3.35Å; C252-T254 PolarHBondContact SG-OG1 2.87Å; T254-I256 HydrophobicContact CG2-CG1 4.49Å
255W94.9Very high94.9Very high124 Ų12464.5 Ų64.547%0.4732%0.316SS..EExtended strand (participates in β ladder)trans-78.6127.7173.5-72.882.4000110.7T234 C235 M246 E248T234-W255 CarbonylContact C-O 3.56Å; T234-W255 VanDerWaalsContact C-O 3.28Å; C235-W255 VanDerWaalsContact CA-O 3.22Å; C235-W255 WeakPolarHBondContact CA-O 3.42Å; C235-W255 PolarHBondContact N-O 3.13Å; M246-W255 HydrophobicContact CB-CE3 3.67Å; M246-W255 HydrophobicContact CB-CZ3 4.31Å; M246-W255 VanDerWaalsContact CE-C 3.41Å; M246-W255 HydrophobicContact CE-CB 3.55Å; M246-W255 VanDerWaalsContact CE-O 3.24Å; M246-W255 WeakPolarHBondContact CE-O 3.47Å; M246-W255 HydrophobicContact SD-CB 4.19Å; E248-W255 HydrophobicContact CB-CD2 4.34Å; E248-W255 HydrophobicContact CB-CZ2 4.42Å
256I95.5Very high94.9Very high7 Ų767.3 Ų67.34%0.03634%0.336CS..EExtended strand (participates in β ladder)trans-126.3133.2-173.7-51.1-169000109.2F236 M246 I247 T254 L258 C260 A261 F272 C274F236-I256 HydrophobicContact CD2-CD1 3.78Å; F236-I256 HydrophobicContact CD2-CG1 4.43Å; F236-I256 HydrophobicContact CE2-CD1 3.36Å; F236-I256 HydrophobicContact CE2-CG1 4.21Å; F236-I256 HydrophobicContact CZ-CD1 4.34Å; M246-I256 CarbonylContact C-O 3.28Å; M246-I256 VanDerWaalsContact CA-O 3.25Å; M246-I256 WeakPolarHBondContact CA-O 3.31Å; I247-I256 WeakPolarHBondContact CG2-O 3.11Å; I247-I256 PolarHBondContact N-O 3.49Å; I247-I256 PolarHBondContact O-N 3.43Å; T254-I256 HydrophobicContact CG2-CG1 4.49Å; I256-L258 PolarHBondContact O-N 2.84Å; I256-C260 HydrophobicContact CG2-CB 3.92Å; I256-A261 HydrophobicContact CG2-CB 4.06Å; I256-F272 HydrophobicContact CB-CE1 4.44Å; I256-F272 HydrophobicContact CD1-CE1 3.96Å; I256-F272 HydrophobicContact CD1-CZ 4.42Å; I256-F272 HydrophobicContact CG1-CE1 4.46Å; I256-C274 HydrophobicContact CD1-CB 3.25Å
257H95.7Very high94.8Very high0 Ų071.8 Ų71.80%036%0.361CS..EExtended strand (participates in β ladder)trans-60.5138.1173.2-53.7115.7000110.5C235 C237 K239 P240 R244 P245 S259 C260 A261C235-H257 PolarHBondContact SG-ND1 3.44Å; C235-H257 VanDerWaalsContact SG-ND1 3.36Å; C237-H257 VanDerWaalsContact SG-CE1 3.56Å; C237-H257 PolarHBondContact SG-ND1 2.83Å; K239-H257 PolarHBondContact O-CE1 2.92Å; P240-H257 PolarHBondContact O-CE1 3.42Å; P240-H257 PolarHBondContact O-NE2 3.42Å; R244-H257 PolarHBondContact NH1-ND1 3.39Å; P245-H257 WeakPolarHBondContact O-CA 3.37Å; H257-S259 PolarHBondContact O-N 2.82Å; H257-S259 VanDerWaalsContact O-N 3.13Å; H257-C260 HydrophobicContact CB-CB 4.21Å; H257-C260 WeakPolarHBondContact O-CA 3.44Å; H257-C260 WeakPolarHBondContact O-CB 3.26Å; H257-C260 PolarHBondContact O-N 2.94Å; H257-A261 PolarHBondContact O-N 3.31Å
258L95.4Very high94.8Very high11 Ų1174.4 Ų74.46%0.05838%0.377CS..THydrogen-bonded Turntrans-53.7-38.5178.8-94.959.8000112.4P245 I247 I256 C260 A261 K262 I263 K265 V268P245-L258 HydrophobicContact CB-CD1 4.24Å; P245-L258 HydrophobicContact CB-CD2 4.11Å; P245-L258 HydrophobicContact CG-CB 4.19Å; P245-L258 HydrophobicContact CG-CD2 4.2Å; P245-L258 PolarHBondContact O-N 3.46Å; I247-L258 HydrophobicContact CB-CD1 3.85Å; I247-L258 HydrophobicContact CG2-CD1 4.01Å; I256-L258 PolarHBondContact O-N 2.84Å; L258-C260 VanDerWaalsContact C-N 3.32Å; L258-C260 PolarHBondContact O-N 2.82Å; L258-A261 CarbonylContact O-C 3.42Å; L258-A261 PolarHBondContact O-N 3.38Å; L258-K262 PolarHBondContact O-N 2.96Å; L258-I263 HydrophobicContact CD2-CG2 4.43Å; L258-I263 HydrophobicContact CG-CB 4.22Å; L258-I263 HydrophobicContact CG-CG2 4.15Å; L258-I263 PolarHBondContact O-N 2.72Å; L258-K265 HydrophobicContact CD2-CG 3.97Å; L258-V268 HydrophobicContact CD2-CG2 3.87Å
259S94.4Very high94.8Very high71 Ų7173.3 Ų73.350%0.49738%0.377SS..THydrogen-bonded Turntrans-65.2-33175.455.20000113.4R244 H257 K262R244-S259 PolarHBondContact NH2-OG 2.79Å; H257-S259 PolarHBondContact O-N 2.82Å; H257-S259 VanDerWaalsContact O-N 3.13Å; S259-K262 PolarHBondContact O-N 2.97Å
260C95Very high94.7Very high54 Ų5482.5 Ų82.537%0.36542%0.42SS..THydrogen-bonded Turntrans-76.6-35176.5-65.80000111.1C237 I256 H257 L258 K262C237-C260 VanDerWaalsContact SG-SG 3.67Å; I256-C260 HydrophobicContact CG2-CB 3.92Å; H257-C260 HydrophobicContact CB-CB 4.21Å; H257-C260 WeakPolarHBondContact O-CA 3.44Å; H257-C260 WeakPolarHBondContact O-CB 3.26Å; H257-C260 PolarHBondContact O-N 2.94Å; L258-C260 VanDerWaalsContact C-N 3.32Å; L258-C260 PolarHBondContact O-N 2.82Å; C260-K262 PolarHBondContact O-N 2.82Å
261A94.6Very high94.7Very high24 Ų2483.8 Ų83.820%0.19843%0.43CS..THydrogen-bonded Turntrans-75.5-6.2171.500000113.7I247 I256 H257 L258 I263 F272I247-A261 HydrophobicContact CG2-CB 4.26Å; I256-A261 HydrophobicContact CG2-CB 4.06Å; H257-A261 PolarHBondContact O-N 3.31Å; L258-A261 CarbonylContact O-C 3.42Å; L258-A261 PolarHBondContact O-N 3.38Å; A261-I263 HydrophobicContact CB-CD1 3.85Å; A261-I263 HydrophobicContact CB-CG1 4.06Å; A261-I263 PolarHBondContact O-N 2.91Å; A261-F272 HydrophobicContact CB-CE1 4.27Å; A261-F272 HydrophobicContact CB-CE2 3.9Å; A261-F272 HydrophobicContact CB-CZ 3.5Å
262K94.4Very high94.7Very high195 Ų19581.4 Ų81.485%0.84842%0.419SS*.THydrogen-bonded Turntrans55.735.3-173.4-56.4179.6-179177.20113.1L258 S259 C260L258-K262 PolarHBondContact O-N 2.96Å; S259-K262 PolarHBondContact O-N 2.97Å; C260-K262 PolarHBondContact O-N 2.82Å
263I94.1Very high94.8Very high28 Ų2880.3 Ų80.314%0.14441%0.41CS..  trans-100.1135.1176.9-67170000109I247 L258 A261 V268 P269 F272I247-I263 HydrophobicContact CD1-CD1 3.98Å; I247-I263 HydrophobicContact CG2-CD1 4.32Å; L258-I263 HydrophobicContact CD2-CG2 4.43Å; L258-I263 HydrophobicContact CG-CB 4.22Å; L258-I263 HydrophobicContact CG-CG2 4.15Å; L258-I263 PolarHBondContact O-N 2.72Å; A261-I263 HydrophobicContact CB-CD1 3.85Å; A261-I263 HydrophobicContact CB-CG1 4.06Å; A261-I263 PolarHBondContact O-N 2.91Å; I263-V268 HydrophobicContact CG2-CG2 4.23Å; I263-P269 HydrophobicContact CD1-CG 4.13Å; I263-F272 HydrophobicContact CD1-CD2 3.51Å; I263-F272 HydrophobicContact CD1-CE2 3.59Å; I263-F272 HydrophobicContact CD1-CG 4.23Å; I263-F272 HydrophobicContact CD1-CZ 4.37Å
264R94.6Very high94.9Very high199 Ų19976.4 Ų76.475%0.75139%0.393SS*.  trans-84.5139.8174-63.2-175.5179.4-170.5-0109.1S266 N267R264-S266 PolarHBondContact O-N 2.93Å; R264-N267 CarbonylContact O-C 3.48Å; R264-N267 PolarHBondContact O-N 3.29Å
265K92.9Very high94.8Very high164 Ų16480.4 Ų80.471%0.71341%0.409SS*.THydrogen-bonded Turntrans-54.5-27176.6-75.3170170.3-176.60113.5P245 L258P245-K265 VanDerWaalsContact CG-CE 3.5Å; P245-K265 HydrophobicContact CG-CG 4.46Å; L258-K265 HydrophobicContact CD2-CG 3.97Å
266S93.9Very high94.7Very high112 Ų11280.5 Ų80.578%0.78341%0.413SS*.THydrogen-bonded Turntrans-77.4-16.2179.863.60000114.5R264R264-S266 PolarHBondContact O-N 2.93Å
267N92.9Very high94.6Very high125 Ų12580.9 Ų80.967%0.66842%0.415SS*.SBendtrans-144.575.7-177.6-174.826.1000109.4R264R264-N267 CarbonylContact O-C 3.48Å; R264-N267 PolarHBondContact O-N 3.29Å
268V95.8Very high94.4Very high72 Ų7286.4 Ų86.444%0.43644%0.436SS..  trans-91.2116.7177.6-174.40000107.9I247 L258 I263I247-V268 HydrophobicContact CD1-CG1 3.86Å; L258-V268 HydrophobicContact CD2-CG2 3.87Å; I263-V268 HydrophobicContact CG2-CG2 4.23Å
269P95.4Very high94.2Very high51 Ų5189 Ų8933%0.33145%0.45SS..  trans-69.8143.8177.229.6-33.7000110.5I247 I263 V271I247-P269 HydrophobicContact CD1-CG 4.42Å; I263-P269 HydrophobicContact CD1-CG 4.13Å; P269-V271 VanDerWaalsContact C-N 3.32Å
270E94.1Very high93.8Very high193 Ų19388.3 Ų88.390%0.90245%0.445SS*.SBendtrans-65.7-37.2174.2-174.5175.9-172.900111.7
271V96.1Very high93.2Very high102 Ų10290.3 Ų90.362%0.61845%0.448SS*.SBendtrans-108.9114.61781780000109.2N250 P269N250-V271 WeakPolarHBondContact ND2-CA 3.37Å; N250-V271 WeakPolarHBondContact ND2-CG1 3.37Å; P269-V271 VanDerWaalsContact C-N 3.32Å
272F96.7Very high92.3Very high12 Ų1294.7 Ų94.75%0.05346%0.463CS..  trans-121.3136.6177.9175-109.1000112.7I247 C249 N250 I256 A261 I263 C274I247-F272 HydrophobicContact CB-CD1 4.48Å; I247-F272 HydrophobicContact CD1-CB 3.38Å; I247-F272 HydrophobicContact CD1-CD1 4.12Å; I247-F272 HydrophobicContact CD1-CD2 4.37Å; I247-F272 HydrophobicContact CD1-CG 3.71Å; I247-F272 HydrophobicContact CG1-CB 3.89Å; I247-F272 HydrophobicContact CG1-CD1 4Å; I247-F272 HydrophobicContact CG1-CG 4.11Å; I247-F272 HydrophobicContact CG2-CD1 3.75Å; I247-F272 HydrophobicContact CG2-CE1 3.82Å; I247-F272 HydrophobicContact CG2-CG 4.27Å; I247-F272 HydrophobicContact CG2-CZ 4.41Å; C249-F272 HydrophobicContact CB-CD1 4.49Å; N250-F272 PolarHBondContact N-O 2.92Å; I256-F272 HydrophobicContact CB-CE1 4.44Å; I256-F272 HydrophobicContact CD1-CE1 3.96Å; I256-F272 HydrophobicContact CD1-CZ 4.42Å; I256-F272 HydrophobicContact CG1-CE1 4.46Å; A261-F272 HydrophobicContact CB-CE1 4.27Å; A261-F272 HydrophobicContact CB-CE2 3.9Å; A261-F272 HydrophobicContact CB-CZ 3.5Å; I263-F272 HydrophobicContact CD1-CD2 3.51Å; I263-F272 HydrophobicContact CD1-CE2 3.59Å; I263-F272 HydrophobicContact CD1-CG 4.23Å; I263-F272 HydrophobicContact CD1-CZ 4.37Å; F272-C274 HydrophobicContact CE1-CB 4.15Å; F272-C274 HydrophobicContact CZ-CB 4.3Å
273V95.9Very high91.4Very high26 Ų2690.1 Ų90.116%0.15845%0.447CS..  trans-126.1125.2173.3-178.60000108.1E251 C277 R278E251-V273 VanDerWaalsContact CD-CG1 3.46Å; E251-V273 HydrophobicContact CG-CG1 3.96Å; E251-V273 HydrophobicContact CG-CG2 4.2Å; E251-V273 VanDerWaalsContact OE1-CG1 3.3Å; E251-V273 WeakPolarHBondContact OE1-CG1 3.41Å; V273-C277 HydrophobicContact CG1-CB 3.58Å; V273-R278 HydrophobicContact CB-CG 4.43Å; V273-R278 HydrophobicContact CG1-CG 3.97Å; V273-R278 PolarHBondContact O-NE 3.49Å; V273-R278 PolarHBondContact O-NH2 2.97Å
274C95.4Very high90.4Very high1 Ų193.8 Ų93.81%0.00747%0.466CS..  trans-69.8161.8-175.679.50000112.9F236 C249 C252 I256 F272 K276 C277 R278F236-C274 HydrophobicContact CE2-CB 4.08Å; C249-C274 HydrophobicContact CB-CB 4.13Å; C249-C274 PolarHBondContact SG-N 2.73Å; C252-C274 VanDerWaalsContact SG-SG 3.69Å; I256-C274 HydrophobicContact CD1-CB 3.25Å; F272-C274 HydrophobicContact CE1-CB 4.15Å; F272-C274 HydrophobicContact CZ-CB 4.3Å; C274-K276 VanDerWaalsContact C-N 3.33Å; C274-K276 PolarHBondContact O-N 3.06Å; C274-C277 PolarHBondContact O-N 3.45Å; C274-C277 PolarHBondContact SG-N 3.36Å; C274-C277 VanDerWaalsContact SG-N 3.42Å; C274-C277 PolarHBondContact SG-SG 2.89Å; C274-R278 WeakPolarHBondContact O-CG 3.23Å; C274-R278 PolarHBondContact O-N 3.43Å
275Q92.9Very high89.4Confident118 Ų11892.3 Ų92.355%0.55146%0.461SS*.Hα-helixtrans-56.9-43.7-179.2-174.161.137.600112.5C277 R278 D279Q275-C277 VanDerWaalsContact C-N 3.35Å; Q275-C277 PolarHBondContact O-N 3.01Å; Q275-R278 WeakPolarHBondContact O-CB 3.36Å; Q275-R278 PolarHBondContact O-N 3.3Å; Q275-D279 WeakPolarHBondContact CG-OD2 3.41Å; Q275-D279 PolarHBondContact NE2-OD1 3.24Å; Q275-D279 PolarHBondContact NE2-OD2 3.49Å; Q275-D279 WeakPolarHBondContact O-CB 3.25Å; Q275-D279 PolarHBondContact O-N 3.44Å
276K92.4Very high88.4Confident126 Ų12694 Ų9455%0.54846%0.462SS..Hα-helixtrans-61.3-41.2179.3-67.9178-178.9-840112.6F236 C274 D279 S280F236-K276 HydrophobicContact CD1-CD 3.87Å; F236-K276 VanDerWaalsContact CD1-CE 3.48Å; F236-K276 HydrophobicContact CD2-CD 4.12Å; F236-K276 HydrophobicContact CE1-CD 3.68Å; F236-K276 HydrophobicContact CE2-CD 3.92Å; F236-K276 HydrophobicContact CE2-CG 4.44Å; F236-K276 HydrophobicContact CG-CD 4.1Å; F236-K276 HydrophobicContact CZ-CD 3.72Å; C274-K276 VanDerWaalsContact C-N 3.33Å; C274-K276 PolarHBondContact O-N 3.06Å; K276-D279 PolarHBondContact O-N 3.46Å; K276-S280 WeakPolarHBondContact O-CB 3.22Å; K276-S280 PolarHBondContact O-N 2.98Å; K276-S280 PolarHBondContact O-OG 3.16Å
277C93.8Very high87.1Confident14 Ų1491.5 Ų91.510%0.09545%0.445CS..Hα-helixtrans-69.8-34.9176.5-75.40000112.7E251 C252 V273 C274 Q275 S280 K281E251-C277 HydrophobicContact CB-CB 4.04Å; E251-C277 HydrophobicContact CG-CB 4.47Å; E251-C277 WeakPolarHBondContact OE2-CB 3.48Å; C252-C277 VanDerWaalsContact SG-SG 3.65Å; V273-C277 HydrophobicContact CG1-CB 3.58Å; C274-C277 PolarHBondContact O-N 3.45Å; C274-C277 PolarHBondContact SG-N 3.36Å; C274-C277 VanDerWaalsContact SG-N 3.42Å; C274-C277 PolarHBondContact SG-SG 2.89Å; Q275-C277 VanDerWaalsContact C-N 3.35Å; Q275-C277 PolarHBondContact O-N 3.01Å; C277-S280 PolarHBondContact O-OG 3.38Å; C277-K281 WeakPolarHBondContact O-CG 2.97Å; C277-K281 PolarHBondContact O-N 2.97Å
278R92.2Very high85.7Confident116 Ų11689.8 Ų89.844%0.43844%0.436SS..Hα-helixtrans-63.8-51.7171.5-68.6175.8-171.6-156.2-3.3110.1V273 C274 Q275 S280 K281 F282V273-R278 HydrophobicContact CB-CG 4.43Å; V273-R278 HydrophobicContact CG1-CG 3.97Å; V273-R278 PolarHBondContact O-NE 3.49Å; V273-R278 PolarHBondContact O-NH2 2.97Å; C274-R278 WeakPolarHBondContact O-CG 3.23Å; C274-R278 PolarHBondContact O-N 3.43Å; Q275-R278 WeakPolarHBondContact O-CB 3.36Å; Q275-R278 PolarHBondContact O-N 3.3Å; R278-S280 PolarHBondContact O-N 2.86Å; R278-K281 PolarHBondContact O-N 3.2Å; R278-F282 HydrophobicContact CB-CD2 4.38Å; R278-F282 HydrophobicContact CB-CE2 4.13Å; R278-F282 WeakPolarHBondContact O-CD2 3.18Å; R278-F282 PolarHBondContact O-N 3.2Å
279D90.4Very high84.3Confident65 Ų6596.2 Ų96.235%0.34845%0.452SS..Hα-helixtrans-62.1-42.9-176.8-66.1-24000111.8Q275 K276 K281 F282 D283Q275-D279 WeakPolarHBondContact CG-OD2 3.41Å; Q275-D279 PolarHBondContact NE2-OD1 3.24Å; Q275-D279 PolarHBondContact NE2-OD2 3.49Å; Q275-D279 WeakPolarHBondContact O-CB 3.25Å; Q275-D279 PolarHBondContact O-N 3.44Å; K276-D279 PolarHBondContact O-N 3.46Å; D279-K281 VanDerWaalsContact C-N 3.31Å; D279-K281 PolarHBondContact O-N 3.25Å; D279-F282 CarbonylContact O-C 3.51Å; D279-F282 PolarHBondContact O-N 2.8Å; D279-D283 WeakPolarHBondContact O-CB 3.24Å; D279-D283 PolarHBondContact O-N 3.13Å
280S87.4Confident82.9Confident57 Ų5797.5 Ų97.540%0.39946%0.463SS..Hα-helixtrans-60.2-39.117766.50000112.8K276 C277 R278 D283 I284K276-S280 WeakPolarHBondContact O-CB 3.22Å; K276-S280 PolarHBondContact O-N 2.98Å; K276-S280 PolarHBondContact O-OG 3.16Å; C277-S280 PolarHBondContact O-OG 3.38Å; R278-S280 PolarHBondContact O-N 2.86Å; S280-D283 PolarHBondContact O-N 2.52Å; S280-I284 WeakPolarHBondContact O-CG1 3.32Å; S280-I284 PolarHBondContact O-N 3.28Å
281K81.8Confident81.3Confident96 Ų9697.4 Ų97.442%0.41745%0.454SS..Hα-helixtrans-68.6-33.3174.7-73.7-176.4170.9-173.80112.9E251 C277 R278 D279 R285E251-K281 VanDerWaalsContact CD-CE 3.43Å; E251-K281 VanDerWaalsContact OE1-CE 3.25Å; E251-K281 WeakPolarHBondContact OE1-CE 3.46Å; E251-K281 IonicContact OE1-NZ 2.77Å; E251-K281 PolarHBondContact OE1-NZ 2.77Å; E251-K281 WeakPolarHBondContact OE2-CE 3.39Å; E251-K281 IonicContact OE2-NZ 2.65Å; E251-K281 PolarHBondContact OE2-NZ 3.09Å; C277-K281 WeakPolarHBondContact O-CG 2.97Å; C277-K281 PolarHBondContact O-N 2.97Å; R278-K281 PolarHBondContact O-N 3.2Å; D279-K281 VanDerWaalsContact C-N 3.31Å; D279-K281 PolarHBondContact O-N 3.25Å; K281-R285 WeakPolarHBondContact O-CG 3.5Å
282F75.3Confident79.5Confident117 Ų11797.6 Ų97.651%0.51346%0.456SS..Hα-helixtrans-77.8-33.3176.2-69.5-63.3000112.5R278 D279 I284 R285 R286R278-F282 HydrophobicContact CB-CD2 4.38Å; R278-F282 HydrophobicContact CB-CE2 4.13Å; R278-F282 WeakPolarHBondContact O-CD2 3.18Å; R278-F282 PolarHBondContact O-N 3.2Å; D279-F282 CarbonylContact O-C 3.51Å; D279-F282 PolarHBondContact O-N 2.8Å; F282-I284 VanDerWaalsContact C-N 3.35Å; F282-I284 PolarHBondContact O-N 2.9Å; F282-R285 PolarHBondContact O-N 3.01Å; F282-R285 VanDerWaalsContact O-N 3.12Å; F282-R286 WeakPolarHBondContact O-CB 3.12Å; F282-R286 PolarHBondContact O-N 3.42Å
283D75.2Confident77.7Confident98 Ų98100.1 Ų100.152%0.52449%0.485SS..Hα-helixtrans-65.4-36.8177.5-80.8-25.5000112D279 S280 R285 R286 S287D279-D283 WeakPolarHBondContact O-CB 3.24Å; D279-D283 PolarHBondContact O-N 3.13Å; S280-D283 PolarHBondContact O-N 2.52Å; D283-R285 VanDerWaalsContact C-N 3.32Å; D283-R285 PolarHBondContact O-N 3.33Å; D283-R286 PolarHBondContact O-N 2.97Å; D283-S287 VanDerWaalsContact O-CB 3.31Å; D283-S287 WeakPolarHBondContact O-CB 3.34Å; D283-S287 PolarHBondContact O-N 3.31Å; D283-S287 PolarHBondContact O-OG 3.12Å
284I74.4Confident75.8Confident105 Ų105103.7 Ų103.754%0.53851%0.511SS..Hα-helixtrans-62.2-40.9171.5-63.4163.6000110.9S280 F282 S287 N288S280-I284 WeakPolarHBondContact O-CG1 3.32Å; S280-I284 PolarHBondContact O-N 3.28Å; F282-I284 VanDerWaalsContact C-N 3.35Å; F282-I284 PolarHBondContact O-N 2.9Å; I284-S287 WeakPolarHBondContact CA-OG 3.4Å; I284-S287 PolarHBondContact O-OG 2.74Å; I284-N288 WeakPolarHBondContact O-CB 3.12Å; I284-N288 PolarHBondContact O-N 2.72Å; I284-N288 VanDerWaalsContact O-N 3.12Å
285R72.6Confident74Confident169 Ų169114 Ų11464%0.63855%0.55SS*.Hα-helixtrans-71.4-38.7178.2-64.3179.6-161.2-1673.8111.9K281 F282 D283 N288 R289K281-R285 WeakPolarHBondContact O-CG 3.5Å; F282-R285 PolarHBondContact O-N 3.01Å; F282-R285 VanDerWaalsContact O-N 3.12Å; D283-R285 VanDerWaalsContact C-N 3.32Å; D283-R285 PolarHBondContact O-N 3.33Å; R285-N288 PolarHBondContact O-N 2.77Å; R285-R289 PolarHBondContact O-N 3.37Å; R285-R289 VanDerWaalsContact O-N 3.1Å
286R72.8Confident72.4Confident198 Ų198117.2 Ų117.275%0.74756%0.562SS**Hα-helixtrans-68.3-41.8-179.9-165.9173.1-166.9162.62.9111.5F282 D283 R289 S290F282-R286 WeakPolarHBondContact O-CB 3.12Å; F282-R286 PolarHBondContact O-N 3.42Å; D283-R286 PolarHBondContact O-N 2.97Å; R286-R289 PolarHBondContact O-N 2.94Å; R286-S290 PolarHBondContact O-N 3.26Å; R286-S290 VanDerWaalsContact O-N 3.1Å; R286-S290 PolarHBondContact O-OG 3.45Å
287S66.4Low70.7Confident61 Ų61118.9 Ų118.943%0.42758%0.576SS.*Hα-helixtrans-67.7-31.7174.955.80000112.9D283 I284 S290 R291D283-S287 VanDerWaalsContact O-CB 3.31Å; D283-S287 WeakPolarHBondContact O-CB 3.34Å; D283-S287 PolarHBondContact O-N 3.31Å; D283-S287 PolarHBondContact O-OG 3.12Å; I284-S287 WeakPolarHBondContact CA-OG 3.4Å; I284-S287 PolarHBondContact O-OG 2.74Å; S287-S290 WeakPolarHBondContact CA-OG 3.21Å; S287-S290 PolarHBondContact O-OG 3Å; S287-R291 PolarHBondContact O-N 3.09Å
288N62.5Low68.4Low88 Ų88128.2 Ų128.247%0.47162%0.616SS.*Hα-helixtrans-71.4-30.7171.9-78.8-3000113.5I284 R285 T292I284-N288 WeakPolarHBondContact O-CB 3.12Å; I284-N288 PolarHBondContact O-N 2.72Å; I284-N288 VanDerWaalsContact O-N 3.12Å; R285-N288 PolarHBondContact O-N 2.77Å; N288-T292 PolarHBondContact O-N 2.7Å; N288-T292 PolarHBondContact O-OG1 2.86Å; N288-T292 VanDerWaalsContact O-OG1 3.05Å
289R66.6Low66.9Low207 Ų207131.5 Ų131.578%0.78164%0.641SS**Hα-helixtrans-74.4-38176.6-164.4174.9-142.2177.96112.6R285 R286 R291 T292 G293R285-R289 PolarHBondContact O-N 3.37Å; R285-R289 VanDerWaalsContact O-N 3.1Å; R286-R289 PolarHBondContact O-N 2.94Å; R289-R291 VanDerWaalsContact C-N 3.27Å; R289-R291 PolarHBondContact O-N 2.82Å; R289-T292 PolarHBondContact O-N 2.99Å; R289-T292 PolarHBondContact O-OG1 3.26Å; R289-G293 PolarHBondContact O-N 2.87Å
290S65.1Low65.1Low79 Ų79139.5 Ų139.555%0.55268%0.684SS**Hα-helixtrans-67-29.9175.6550000112.5R286 S287R286-S290 PolarHBondContact O-N 3.26Å; R286-S290 VanDerWaalsContact O-N 3.1Å; R286-S290 PolarHBondContact O-OG 3.45Å; S287-S290 WeakPolarHBondContact CA-OG 3.21Å; S287-S290 PolarHBondContact O-OG 3Å
291R60.3Low64Low191 Ų191143.7 Ų143.772%0.72170%0.698SS**Hα-helixtrans-78-23.7179.9-165.9170.1145.7-112.6-3.6114.3S287 R289S287-R291 PolarHBondContact O-N 3.09Å; R289-R291 VanDerWaalsContact C-N 3.27Å; R289-R291 PolarHBondContact O-N 2.82Å
292T60.3Low63.1Low106 Ų106146.2 Ų146.265%0.6571%0.713SS**Hα-helixtrans-94-12179.246.10000113.9N288 R289N288-T292 PolarHBondContact O-N 2.7Å; N288-T292 PolarHBondContact O-OG1 2.86Å; N288-T292 VanDerWaalsContact O-OG1 3.05Å; R289-T292 PolarHBondContact O-N 2.99Å; R289-T292 PolarHBondContact O-OG1 3.26Å
293G58.3Low62.4Low65 Ų65147.8 Ų147.867%0.6772%0.724SS**SBendtrans-90.4-7.6-174.900000117.3R289R289-G293 PolarHBondContact O-N 2.87Å
294S55.6Low61.6Low100 Ų100150.7 Ų150.770%0.69974%0.736SS**  trans-125.428.8-164.4-45.20000115.1
295R58Low60.8Low217 Ų217153.6 Ų153.682%0.81975%0.748SS**  trans-112.239.1175.9-72.5-168.3-74.6176.6-2.6113.4
296K58.5Low60Low187 Ų187152.5 Ų152.581%0.81376%0.755SS**SBendtrans-130.8140.1162.8-70.6-168178.1-172.40107.8
297L56.5Low59.1Low161 Ų161149.3 Ų149.384%0.84376%0.756SS**  trans86.681.6178.4-44.8178.4000113.8
298F47.2Very low58.6Low210 Ų210156.1 Ų156.192%0.92178%0.781SS**  trans-168.283.7133.3-100.5-72000107.5
299L60.4Low58.2Low184 Ų184161.8 Ų161.896%0.96381%0.807SS**  trans-15781.7162.6-101.2151.5000104.4
300D51.9Low57.5Low234 Ų234157.6 Ų157.6100%1.25181%0.809SS**  trans-143.10154.4-167.847.9000106.4

Retrieved 300 of 300 residues in 936.8 ms (Link to these results)