A0A075B6P7_HUMAN Loading...

KAT8 regulatory NSL complex subunit 3

AlphaFold DB , UniProt , Accession A0A075B6P7, Species HUMAN (Homo sapiens, Human), Gene KANSL3, Length 93 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
1S53.8Low70.4Confident166 Ų166137.1 Ų137.1100%1.16179%0.786SS**  0133.4033.60000106.7
2E61.5Low70.6Confident174 Ų174136.8 Ų136.881%0.81379%0.788SS**  cis-174127.44.9-173.4174.8119.500102.7
3S58.4Low70.9Confident113 Ų113136.2 Ų136.279%0.7979%0.788SS**  trans-148.666.5158.39.10000106.5V5S3-V5 VanDerWaalsContact C-N 3.26Å; S3-V5 PolarHBondContact O-N 3.32Å; S3-V5 VanDerWaalsContact O-N 3.09Å
4D66.3Low70.7Confident146 Ų146133.7 Ų133.778%0.78178%0.783SS**  trans-71.392161.5-151.8-77.7000105.6P6D4-P6 VanDerWaalsContact O-CD 3.29Å; D4-P6 WeakPolarHBondContact O-CD 3.29Å
5V77.6Confident71.1Confident112 Ų112133.8 Ų133.868%0.67979%0.786SS**  trans-75.4114.7177.5179.50000106.2S3 I7S3-V5 VanDerWaalsContact C-N 3.26Å; S3-V5 PolarHBondContact O-N 3.32Å; S3-V5 VanDerWaalsContact O-N 3.09Å; V5-I7 PolarHBondContact O-N 3.07Å
6P71.7Confident71Confident113 Ų113132.4 Ų132.473%0.73478%0.782SS**  trans-64.7115.5179.925.5-32.1000108.8D4 D8D4-P6 VanDerWaalsContact O-CD 3.29Å; D4-P6 WeakPolarHBondContact O-CD 3.29Å; P6-D8 PolarHBondContact O-N 3.09Å
7I76.2Confident71Confident148 Ų148134.8 Ų134.876%0.75979%0.786SS**  trans-73.1115173.2-62.7171.4000106.7V5 V9V5-I7 PolarHBondContact O-N 3.07Å; I7-V9 HydrophobicContact CG2-CG2 4.44Å; I7-V9 PolarHBondContact O-N 3.16Å; I7-V9 VanDerWaalsContact O-N 3.12Å
8D78.7Confident70.9Confident139 Ų139131.7 Ų131.774%0.74377%0.771SS**  trans-71103.9172.6-17120.4000108.8P6 E10P6-D8 PolarHBondContact O-N 3.09Å; D8-E10 PolarHBondContact O-N 3.12Å; D8-E10 VanDerWaalsContact O-N 3.16Å
9V77.2Confident71Confident110 Ų110134.7 Ų134.767%0.66778%0.782SS**  trans-82.789.2177.3-177.90000107.4I7 T11I7-V9 HydrophobicContact CG2-CG2 4.44Å; I7-V9 PolarHBondContact O-N 3.16Å; I7-V9 VanDerWaalsContact O-N 3.12Å; V9-T11 PolarHBondContact O-N 3.05Å
10E76.6Confident71.2Confident165 Ų165134.8 Ų134.877%0.77177%0.77SS**  trans-60.6113.1167.5-78-164.8142.400108.8D8 V12D8-E10 PolarHBondContact O-N 3.12Å; D8-E10 VanDerWaalsContact O-N 3.16Å; E10-V12 PolarHBondContact O-N 2.9Å
11T76.2Confident72Confident122 Ų122133 Ų13375%0.74876%0.758SS**  trans-74.8109.6179.1-52.30000108V9 T13V9-T11 PolarHBondContact O-N 3.05Å; T11-T13 PolarHBondContact O-N 3.17Å
12V73.2Confident73.5Confident133 Ų133128.8 Ų128.881%0.80672%0.723SS**  trans-6698.5174.4-178.60000108.3E10 S14E10-V12 PolarHBondContact O-N 2.9Å; V12-S14 PolarHBondContact O-N 3.08Å; V12-S14 VanDerWaalsContact O-N 3.08Å
13T74.1Confident74.9Confident130 Ų130127.5 Ų127.580%0.79872%0.717SS**  trans-66.9106.9170.5-18.10000107.7T11 T15T11-T13 PolarHBondContact O-N 3.17Å; T13-T15 PolarHBondContact O-N 3.33Å
14S69.1Low76.3Confident101 Ų101129.1 Ų129.171%0.70671%0.709SS**PPolyproline II helixtrans-61.5128.1174.339.10000109.3V12 P16V12-S14 PolarHBondContact O-N 3.08Å; V12-S14 VanDerWaalsContact O-N 3.08Å; S14-P16 VanDerWaalsContact O-CD 3.29Å; S14-P16 WeakPolarHBondContact O-CD 3.29Å; S14-P16 VanDerWaalsContact O-N 3.13Å
15T75.9Confident77.3Confident135 Ų135124 Ų12483%0.82869%0.688SS**PPolyproline II helixtrans-60117.9175-46.70000108.2T13 M17T13-T15 PolarHBondContact O-N 3.33Å; T15-M17 PolarHBondContact O-N 3.24Å
16P69.3Low77.9Confident112 Ų112127.2 Ų127.273%0.72769%0.687SS**PPolyproline II helixtrans-62.1126.9-178.622.3-30.5000109S14S14-P16 VanDerWaalsContact O-CD 3.29Å; S14-P16 WeakPolarHBondContact O-CD 3.29Å; S14-P16 VanDerWaalsContact O-N 3.13Å
17M70.9Confident78.8Confident172 Ų172125.2 Ų125.285%0.84768%0.676SS**PPolyproline II helixtrans-62131.4178.4-158.2171.4-176.100108.3T15 L19T15-M17 PolarHBondContact O-N 3.24Å; M17-L19 PolarHBondContact O-N 3.23Å
18P70.3Confident79.5Confident79 Ų79122.2 Ų122.251%0.51366%0.664SS.*PPolyproline II helixtrans-52.5131.1177.2-25.233.2000110Y20P18-Y20 PolarHBondContact O-N 3.41Å
19L72.8Confident80Confident189 Ų189121.8 Ų121.899%0.9966%0.66SS**SBendtrans-62.4-12.1-177.4-68.1174.1000113.4M17M17-L19 PolarHBondContact O-N 3.23Å
20Y74.9Confident80.6Confident136 Ų136121.3 Ų121.353%0.53365%0.653SS.*SBendtrans-119.6141.6172.288-89.8000110.8P18 N22 A25P18-Y20 PolarHBondContact O-N 3.41Å; Y20-N22 HydrophobicContact CE2-CB 4.35Å; Y20-N22 WeakPolarHBondContact CE2-OD1 3.47Å; Y20-N22 VanDerWaalsContact CZ-OD1 3.24Å; Y20-N22 PolarHBondContact O-N 3.17Å; Y20-N22 PolarHBondContact OH-OD1 3Å; Y20-A25 HydrophobicContact CD2-CB 3.98Å; Y20-A25 HydrophobicContact CE2-CB 3.73Å
21D87.6Confident81.3Confident99 Ų99117.2 Ų117.253%0.52963%0.634SS.*  trans-77.5111.5175.9-177.3-14000109.7Q23 K24 A25D21-Q23 PolarHBondContact O-N 2.69Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.43Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.4Å; D21-Q23 PolarHBondContact OD1-N 3.31Å; D21-K24 HydrophobicContact CB-CB 3.83Å; D21-K24 PolarHBondContact O-N 3.39Å; D21-K24 VanDerWaalsContact O-N 3.17Å; D21-K24 PolarHBondContact OD1-N 2.97Å; D21-A25 PolarHBondContact O-N 2.75Å
22N86.2Confident81.7Confident77 Ų77114.5 Ų114.541%0.41262%0.62SS.*Hα-helixtrans-59.6-31.9177-81.8-80.7000112.8Y20 R26Y20-N22 HydrophobicContact CE2-CB 4.35Å; Y20-N22 WeakPolarHBondContact CE2-OD1 3.47Å; Y20-N22 VanDerWaalsContact CZ-OD1 3.24Å; Y20-N22 PolarHBondContact O-N 3.17Å; Y20-N22 PolarHBondContact OH-OD1 3Å; N22-R26 WeakPolarHBondContact O-CD 3.34Å; N22-R26 WeakPolarHBondContact O-CG 3.43Å; N22-R26 PolarHBondContact O-N 2.96Å; N22-R26 VanDerWaalsContact O-N 3.07Å
23Q89.9Confident82.1Confident147 Ų147114.1 Ų114.169%0.68761%0.609SS**Hα-helixtrans-70.4-42.4177-171.8154.90.300110.8D21 A25 R26 S27D21-Q23 PolarHBondContact O-N 2.69Å; D21-Q23 WeakPolarHBondContact OD1-CA 3.43Å; D21-Q23 WeakPolarHBondContact OD1-CB 3.4Å; D21-Q23 PolarHBondContact OD1-N 3.31Å; Q23-A25 PolarHBondContact O-N 3.38Å; Q23-R26 PolarHBondContact O-N 3.1Å; Q23-S27 PolarHBondContact O-N 3.25Å; Q23-S27 PolarHBondContact O-OG 3.49Å
24K87.1Confident82.6Confident147 Ų147114 Ų11464%0.63959%0.594SS**Hα-helixtrans-63-42.8175.4-166.1175.1-176.8-177.80112D21 R26 S27 V28D21-K24 HydrophobicContact CB-CB 3.83Å; D21-K24 PolarHBondContact O-N 3.39Å; D21-K24 VanDerWaalsContact O-N 3.17Å; D21-K24 PolarHBondContact OD1-N 2.97Å; K24-R26 VanDerWaalsContact C-N 3.32Å; K24-R26 PolarHBondContact O-N 3.37Å; K24-S27 PolarHBondContact O-N 3.48Å; K24-V28 WeakPolarHBondContact O-CG2 3.31Å; K24-V28 PolarHBondContact O-N 3.32Å; K24-V28 VanDerWaalsContact O-N 3.1Å
25A88.8Confident83.1Confident39 Ų39112.3 Ų112.332%0.32257%0.574SS.*Hα-helixtrans-60.3-42.3175.400000111.9Y20 D21 Q23 V28 M29Y20-A25 HydrophobicContact CD2-CB 3.98Å; Y20-A25 HydrophobicContact CE2-CB 3.73Å; D21-A25 PolarHBondContact O-N 2.75Å; Q23-A25 PolarHBondContact O-N 3.38Å; A25-V28 PolarHBondContact O-N 3.04Å; A25-M29 WeakPolarHBondContact O-CG 3.44Å; A25-M29 PolarHBondContact O-N 3.03Å; A25-M29 VanDerWaalsContact O-N 3.1Å
26R88.8Confident82.9Confident178 Ų178109 Ų10967%0.67255%0.554SS**Hα-helixtrans-64.2-41.8176.1-72.6170.565.5120.46.2112.5N22 Q23 K24 V28 M29 N30N22-R26 WeakPolarHBondContact O-CD 3.34Å; N22-R26 WeakPolarHBondContact O-CG 3.43Å; N22-R26 PolarHBondContact O-N 2.96Å; N22-R26 VanDerWaalsContact O-N 3.07Å; Q23-R26 PolarHBondContact O-N 3.1Å; K24-R26 VanDerWaalsContact C-N 3.32Å; K24-R26 PolarHBondContact O-N 3.37Å; R26-V28 VanDerWaalsContact C-N 3.31Å; R26-V28 PolarHBondContact O-N 3.44Å; R26-M29 PolarHBondContact O-N 2.98Å; R26-N30 PolarHBondContact O-N 3.1Å; R26-N30 PolarHBondContact O-OD1 3.07Å
27S92Very high83.1Confident72 Ų72108 Ų10850%0.50354%0.542SS..Hα-helixtrans-60.6-41.1176.7-66.60000112.3Q23 K24 N30 E31Q23-S27 PolarHBondContact O-N 3.25Å; Q23-S27 PolarHBondContact O-OG 3.49Å; K24-S27 PolarHBondContact O-N 3.48Å; S27-N30 PolarHBondContact O-N 3.28Å; S27-E31 PolarHBondContact O-N 3.17Å; S27-E31 VanDerWaalsContact O-N 3.13Å
28V89.9Confident82.7Confident84 Ų84103.6 Ų103.651%0.50952%0.518SS..Hα-helixtrans-63.8-46.7176.2173.80000110.9K24 A25 R26 N30 E31 C32K24-V28 WeakPolarHBondContact O-CG2 3.31Å; K24-V28 PolarHBondContact O-N 3.32Å; K24-V28 VanDerWaalsContact O-N 3.1Å; A25-V28 PolarHBondContact O-N 3.04Å; R26-V28 VanDerWaalsContact C-N 3.31Å; R26-V28 PolarHBondContact O-N 3.44Å; V28-N30 VanDerWaalsContact C-N 3.34Å; V28-N30 PolarHBondContact O-N 3.32Å; V28-E31 PolarHBondContact O-N 2.77Å; V28-C32 PolarHBondContact O-N 2.86Å; V28-C32 PolarHBondContact O-SG 3.42Å; V28-C32 VanDerWaalsContact O-SG 3.33Å
29M89.9Confident82.4Confident131 Ų131102 Ų10265%0.64551%0.511SS*.Hα-helixtrans-60.9-41.5179-69.9-62.4-65.300112.6A25 R26 E31 C32 E33A25-M29 WeakPolarHBondContact O-CG 3.44Å; A25-M29 PolarHBondContact O-N 3.03Å; A25-M29 VanDerWaalsContact O-N 3.1Å; R26-M29 PolarHBondContact O-N 2.98Å; M29-E31 VanDerWaalsContact C-N 3.3Å; M29-E31 PolarHBondContact O-N 3.3Å; M29-C32 PolarHBondContact O-N 3.32Å; M29-E33 PolarHBondContact O-N 2.89Å
30N90.1Very high81.8Confident100 Ų100101.5 Ų101.554%0.53550%0.496SS..Hα-helixtrans-64.3-37.3177.7-68.80.7000111.9R26 S27 V28 E33 R34R26-N30 PolarHBondContact O-N 3.1Å; R26-N30 PolarHBondContact O-OD1 3.07Å; S27-N30 PolarHBondContact O-N 3.28Å; V28-N30 VanDerWaalsContact C-N 3.34Å; V28-N30 PolarHBondContact O-N 3.32Å; N30-E33 PolarHBondContact O-N 2.94Å; N30-R34 PolarHBondContact O-N 3.33Å; N30-R34 VanDerWaalsContact O-N 3.09Å
31E89.6Confident81.2Confident79 Ų7999.7 Ų99.737%0.36950%0.499SS..Hα-helixtrans-71.4-36.7177.2-175.959.1-166.100111.7S27 V28 M29 E33 R34 H35S27-E31 PolarHBondContact O-N 3.17Å; S27-E31 VanDerWaalsContact O-N 3.13Å; V28-E31 PolarHBondContact O-N 2.77Å; M29-E31 VanDerWaalsContact C-N 3.3Å; M29-E31 PolarHBondContact O-N 3.3Å; E31-E33 VanDerWaalsContact C-N 3.33Å; E31-R34 PolarHBondContact O-N 3.41Å; E31-R34 IonicContact OE1-CZ 3.94Å; E31-R34 IonicContact OE1-NE 3.03Å; E31-R34 PolarHBondContact OE1-NE 2.71Å; E31-R34 IonicContact OE1-NH2 3.34Å; E31-R34 PolarHBondContact OE1-NH2 3.02Å; E31-R34 IonicContact OE2-CZ 3.12Å; E31-R34 IonicContact OE2-NE 3.97Å; E31-R34 PolarHBondContact OE2-NE 2.83Å; E31-R34 IonicContact OE2-NH2 2.67Å; E31-H35 PolarHBondContact O-N 2.99Å; E31-H35 VanDerWaalsContact O-N 3.13Å; E31-H35 PolarHBondContact O-ND1 2.95Å; E31-H35 IonicContact OE1-CE1 2.89Å; E31-H35 PolarHBondContact OE1-CE1 3.45Å; E31-H35 IonicContact OE1-ND1 3.59Å; E31-H35 IonicContact OE1-NE2 3.54Å
32C84.7Confident79.6Confident65 Ų6599.6 Ų99.644%0.43950%0.499SS..Hα-helixtrans-61.6-41.8171.6-68.20000111.7V28 M29 R34 H35 V36V28-C32 PolarHBondContact O-N 2.86Å; V28-C32 PolarHBondContact O-SG 3.42Å; V28-C32 VanDerWaalsContact O-SG 3.33Å; M29-C32 PolarHBondContact O-N 3.32Å; C32-R34 PolarHBondContact O-N 3.29Å; C32-H35 PolarHBondContact O-N 2.95Å; C32-V36 WeakPolarHBondContact O-CG2 3.46Å; C32-V36 PolarHBondContact O-N 3.46Å
33E82.3Confident78.3Confident124 Ų124100 Ų10058%0.57951%0.513SS*.Hα-helixtrans-60.8-44.6175.9-176175.2-162.200111.6M29 N30 E31 H35 V36 I37M29-E33 PolarHBondContact O-N 2.89Å; N30-E33 PolarHBondContact O-N 2.94Å; E31-E33 VanDerWaalsContact C-N 3.33Å; E33-H35 VanDerWaalsContact C-N 3.3Å; E33-H35 PolarHBondContact O-N 3.29Å; E33-V36 PolarHBondContact O-N 3.19Å; E33-I37 HydrophobicContact CG-CD1 3.99Å; E33-I37 WeakPolarHBondContact O-CG1 3.33Å; E33-I37 PolarHBondContact O-N 3.13Å
34R84.4Confident76.6Confident129 Ų129100.2 Ų100.249%0.48752%0.519SS..Hα-helixtrans-58-41.5176.6-164.6-17066.870.72.7112.2N30 E31 C32 F38N30-R34 PolarHBondContact O-N 3.33Å; N30-R34 VanDerWaalsContact O-N 3.09Å; E31-R34 PolarHBondContact O-N 3.41Å; E31-R34 IonicContact OE1-CZ 3.94Å; E31-R34 IonicContact OE1-NE 3.03Å; E31-R34 PolarHBondContact OE1-NE 2.71Å; E31-R34 IonicContact OE1-NH2 3.34Å; E31-R34 PolarHBondContact OE1-NH2 3.02Å; E31-R34 IonicContact OE2-CZ 3.12Å; E31-R34 IonicContact OE2-NE 3.97Å; E31-R34 PolarHBondContact OE2-NE 2.83Å; E31-R34 IonicContact OE2-NH2 2.67Å; C32-R34 PolarHBondContact O-N 3.29Å; R34-F38 PolarHBondContact O-N 3.4Å
35H79.3Confident75.2Confident64 Ų6495.3 Ų95.330%0.29651%0.506SS..Hα-helixtrans-68.9-41.4177.2-72.8113.2000113.1E31 C32 E33 I37 F38 A39E31-H35 PolarHBondContact O-N 2.99Å; E31-H35 VanDerWaalsContact O-N 3.13Å; E31-H35 PolarHBondContact O-ND1 2.95Å; E31-H35 IonicContact OE1-CE1 2.89Å; E31-H35 PolarHBondContact OE1-CE1 3.45Å; E31-H35 IonicContact OE1-ND1 3.59Å; E31-H35 IonicContact OE1-NE2 3.54Å; C32-H35 PolarHBondContact O-N 2.95Å; E33-H35 VanDerWaalsContact C-N 3.3Å; E33-H35 PolarHBondContact O-N 3.29Å; H35-I37 VanDerWaalsContact C-N 3.33Å; H35-I37 PolarHBondContact O-N 3.49Å; H35-F38 PolarHBondContact O-N 3.01Å; H35-A39 PolarHBondContact O-N 3.3Å
36V73.1Confident73.8Confident65 Ų6598.7 Ų98.739%0.39452%0.524SS..Hα-helixtrans-62.9-40.7177.91690000111.3C32 E33 F38 A39 R40C32-V36 WeakPolarHBondContact O-CG2 3.46Å; C32-V36 PolarHBondContact O-N 3.46Å; E33-V36 PolarHBondContact O-N 3.19Å; V36-F38 VanDerWaalsContact C-N 3.34Å; V36-A39 PolarHBondContact O-N 3.49Å; V36-R40 HydrophobicContact CG1-CG 4.35Å; V36-R40 VanDerWaalsContact CG1-CZ 3.47Å; V36-R40 WeakPolarHBondContact O-CB 3.37Å; V36-R40 VanDerWaalsContact O-CG 3.28Å; V36-R40 WeakPolarHBondContact O-CG 3.41Å; V36-R40 PolarHBondContact O-N 3.24Å
37I72.9Confident72.4Confident92 Ų9295.5 Ų95.547%0.47253%0.527SS..Hα-helixtrans-63.1-43.8177.1-67.6165.9000110.5E33 H35 R40 T41E33-I37 HydrophobicContact CG-CD1 3.99Å; E33-I37 WeakPolarHBondContact O-CG1 3.33Å; E33-I37 PolarHBondContact O-N 3.13Å; H35-I37 VanDerWaalsContact C-N 3.33Å; H35-I37 PolarHBondContact O-N 3.49Å; I37-R40 PolarHBondContact O-N 3.43Å; I37-T41 WeakPolarHBondContact O-CB 3.5Å; I37-T41 PolarHBondContact O-N 2.95Å; I37-T41 PolarHBondContact O-OG1 2.95Å
38F62.9Low70.7Confident80 Ų8096.8 Ų96.835%0.35153%0.534SS..Hα-helixtrans-61.2-49.8177.1-175.4-100.7000111.6R34 H35 V36 R40 T41 D42 Q73R34-F38 PolarHBondContact O-N 3.4Å; H35-F38 PolarHBondContact O-N 3.01Å; V36-F38 VanDerWaalsContact C-N 3.34Å; F38-R40 PolarHBondContact O-N 3.23Å; F38-T41 PolarHBondContact O-N 2.71Å; F38-D42 PolarHBondContact O-N 2.94Å; F38-Q73 VanDerWaalsContact CE2-NE2 3.32Å
39A62.9Low69.3Low45 Ų4596.6 Ų96.637%0.37253%0.534SS..Hα-helixtrans-64-36179.400000113.4H35 V36 D42 A43H35-A39 PolarHBondContact O-N 3.3Å; V36-A39 PolarHBondContact O-N 3.49Å; A39-D42 PolarHBondContact O-N 2.99Å; A39-A43 WeakPolarHBondContact O-CB 3.22Å; A39-A43 PolarHBondContact O-N 3.3Å
40R60.1Low67.9Low179 Ų17999.2 Ų99.268%0.67555%0.545SS*.Hα-helixtrans-68.8-38.5175.4-75.8176.2177.8165.61.3112.4V36 I37 F38 D42 A43 D44V36-R40 HydrophobicContact CG1-CG 4.35Å; V36-R40 VanDerWaalsContact CG1-CZ 3.47Å; V36-R40 WeakPolarHBondContact O-CB 3.37Å; V36-R40 VanDerWaalsContact O-CG 3.28Å; V36-R40 WeakPolarHBondContact O-CG 3.41Å; V36-R40 PolarHBondContact O-N 3.24Å; I37-R40 PolarHBondContact O-N 3.43Å; F38-R40 PolarHBondContact O-N 3.23Å; R40-D42 VanDerWaalsContact C-N 3.26Å; R40-D42 PolarHBondContact O-N 3.39Å; R40-A43 PolarHBondContact O-N 2.96Å; R40-D44 PolarHBondContact O-N 3.42Å; R40-D44 VanDerWaalsContact O-N 3.08Å
41T62.2Low66.5Low97 Ų9799 Ų9960%0.59554%0.543SS*.Hα-helixtrans-66-34.1176.4-52.30000111I37 F38 A45I37-T41 WeakPolarHBondContact O-CB 3.5Å; I37-T41 PolarHBondContact O-N 2.95Å; I37-T41 PolarHBondContact O-OG1 2.95Å; F38-T41 PolarHBondContact O-N 2.71Å; T41-A45 PolarHBondContact O-N 2.96Å
42D55.3Low65.1Low97 Ų97101.2 Ų101.252%0.51955%0.548SS..Hα-helixtrans-71.4-37.7173.9-161.453.5000112.3F38 A39 R40 A45F38-D42 PolarHBondContact O-N 2.94Å; A39-D42 PolarHBondContact O-N 2.99Å; R40-D42 VanDerWaalsContact C-N 3.26Å; R40-D42 PolarHBondContact O-N 3.39Å; D42-A45 VanDerWaalsContact O-CB 3.22Å; D42-A45 WeakPolarHBondContact O-CB 3.2Å; D42-A45 PolarHBondContact O-N 3Å
43A57.8Low63.9Low87 Ų87104 Ų10472%0.71956%0.555SS**Hα-helixtrans-73-25.4178.500000114.4A39 R40 A45A39-A43 WeakPolarHBondContact O-CB 3.22Å; A39-A43 PolarHBondContact O-N 3.3Å; R40-A43 PolarHBondContact O-N 2.96Å; A43-A45 VanDerWaalsContact C-N 3.33Å
44D55.3Low62.8Low150 Ų150104.1 Ų104.180%0.80256%0.556SS**THydrogen-bonded Turntrans-91.1-1.1173.6-138.9-21.4000111.8R40R40-D44 PolarHBondContact O-N 3.42Å; R40-D44 VanDerWaalsContact O-N 3.08Å
45A56Low61.4Low44 Ų44102.8 Ų102.836%0.36456%0.555SS.*SBendtrans-69.7141.8170.600000109T41 D42 A43T41-A45 PolarHBondContact O-N 2.96Å; D42-A45 VanDerWaalsContact O-CB 3.22Å; D42-A45 WeakPolarHBondContact O-CB 3.2Å; D42-A45 PolarHBondContact O-N 3Å; A43-A45 VanDerWaalsContact C-N 3.33Å
46P60.6Low60.3Low110 Ų110102.6 Ų102.671%0.71456%0.558SS**PPolyproline II helixtrans-52.9140.8169.822.4-30.9000108.6
47P58.3Low59.3Low111 Ų111104.9 Ų104.972%0.72157%0.568SS**PPolyproline II helixtrans-48.6135.3177.619.8-31.3000108.3P49P47-P49 VanDerWaalsContact O-N 3.15Å
48P56.7Low58.4Low100 Ų100108.6 Ų108.665%0.64958%0.576SS**PPolyproline II helixtrans-52.3128.6-176.818.9-29.6000107.9E50P48-E50 PolarHBondContact O-N 3.46Å
49P60.3Low57.9Low80 Ų80107 Ų10752%0.51957%0.573SS.*PPolyproline II helixtrans-54.4145.2-178.518-28.9000109.9P47 D51 W52P47-P49 VanDerWaalsContact O-N 3.15Å; P49-D51 PolarHBondContact O-N 2.86Å; P49-W52 WeakPolarHBondContact O-CB 3.41Å; P49-W52 PolarHBondContact O-N 3.28Å
50E60.2Low57.3Low185 Ų185108.4 Ų108.486%0.86458%0.58SS**THydrogen-bonded Turntrans-51.6-24.7-177.6-144.183.3-160.100112.5P48 W52P48-E50 PolarHBondContact O-N 3.46Å; E50-W52 PolarHBondContact O-N 2.89Å
51D61.1Low56.9Low95 Ų95107 Ų10751%0.50859%0.585SS.*THydrogen-bonded Turntrans-91.227.3177.8-52.3-46.6000114.1P49 E53 E54 H55P49-D51 PolarHBondContact O-N 2.86Å; D51-E53 VanDerWaalsContact C-N 3.25Å; D51-E53 PolarHBondContact O-N 3.4Å; D51-E54 HydrophobicContact CB-CB 4.35Å; D51-E54 PolarHBondContact O-N 2.94Å; D51-E54 VanDerWaalsContact O-N 3.12Å; D51-H55 PolarHBondContact O-N 3.04Å; D51-H55 PolarHBondContact O-ND1 2.67Å
52W60.9Low56.5Low126 Ų126106.6 Ų106.648%0.47759%0.585SS.*Hα-helixtrans-59.8-35.1179.870.7-85.6000112.2P49 E50 E54 H55 V56P49-W52 WeakPolarHBondContact O-CB 3.41Å; P49-W52 PolarHBondContact O-N 3.28Å; E50-W52 PolarHBondContact O-N 2.89Å; W52-E54 VanDerWaalsContact C-N 3.33Å; W52-E54 PolarHBondContact O-N 3.47Å; W52-H55 PolarHBondContact O-N 3.25Å; W52-V56 HydrophobicContact CE3-CG2 4.15Å; W52-V56 VanDerWaalsContact O-CG2 3.29Å; W52-V56 WeakPolarHBondContact O-CG2 3.45Å; W52-V56 PolarHBondContact O-N 3.19Å
53E58.6Low56.2Low125 Ų125107.8 Ų107.858%0.58459%0.587SS**Hα-helixtrans-63.9-38.2175.1-69.9-172126.600111.9D51 N57D51-E53 VanDerWaalsContact C-N 3.25Å; D51-E53 PolarHBondContact O-N 3.4Å; E53-N57 WeakPolarHBondContact O-CB 3.45Å; E53-N57 PolarHBondContact O-N 3.46Å; E53-N57 PolarHBondContact O-ND2 3.22Å
54E59.1Low56.2Low126 Ų126108.2 Ų108.259%0.58958%0.583SS**Hα-helixtrans-72.1-35.2176.7-148.1-179.2-159.700110.8D51 W52 N57 R58D51-E54 HydrophobicContact CB-CB 4.35Å; D51-E54 PolarHBondContact O-N 2.94Å; D51-E54 VanDerWaalsContact O-N 3.12Å; W52-E54 VanDerWaalsContact C-N 3.33Å; W52-E54 PolarHBondContact O-N 3.47Å; E54-N57 CarbonylContact O-C 3.56Å; E54-N57 PolarHBondContact O-N 2.85Å; E54-R58 WeakPolarHBondContact O-CB 3.32Å; E54-R58 VanDerWaalsContact O-CG 3.3Å; E54-R58 WeakPolarHBondContact O-CG 3.4Å; E54-R58 PolarHBondContact O-N 3.23Å
55H56.1Low56Low101 Ų101106 Ų10647%0.46857%0.571SS.*Hα-helixtrans-68.8-40.5174-83.581.2000113.2D51 W52 N57 R58 V59D51-H55 PolarHBondContact O-N 3.04Å; D51-H55 PolarHBondContact O-ND1 2.67Å; W52-H55 PolarHBondContact O-N 3.25Å; H55-N57 VanDerWaalsContact C-N 3.31Å; H55-R58 CarbonylContact O-C 3.53Å; H55-R58 PolarHBondContact O-N 3.35Å; H55-R58 VanDerWaalsContact O-N 3.1Å; H55-V59 VanDerWaalsContact O-CG2 3.28Å; H55-V59 WeakPolarHBondContact O-CG2 3.46Å; H55-V59 PolarHBondContact O-N 3.13Å
56V56.1Low55.7Low60 Ų60107.1 Ų107.136%0.36458%0.575SS.*Hα-helixtrans-64.9-38.9173.8176.10000110.5W52 R58 V59 S60W52-V56 HydrophobicContact CE3-CG2 4.15Å; W52-V56 VanDerWaalsContact O-CG2 3.29Å; W52-V56 WeakPolarHBondContact O-CG2 3.45Å; W52-V56 PolarHBondContact O-N 3.19Å; V56-R58 VanDerWaalsContact C-N 3.25Å; V56-R58 PolarHBondContact O-N 3.35Å; V56-V59 PolarHBondContact O-N 3.09Å; V56-S60 PolarHBondContact O-N 3.03Å; V56-S60 VanDerWaalsContact O-N 3.1Å
57N51.9Low55.3Low113 Ų113103.6 Ų103.660%0.60455%0.553SS**Hα-helixtrans-68.1-19.3172.2-81.7-43.9000113.9E53 E54 H55 S60E53-N57 WeakPolarHBondContact O-CB 3.45Å; E53-N57 PolarHBondContact O-N 3.46Å; E53-N57 PolarHBondContact O-ND2 3.22Å; E54-N57 CarbonylContact O-C 3.56Å; E54-N57 PolarHBondContact O-N 2.85Å; H55-N57 VanDerWaalsContact C-N 3.31Å; N57-S60 VanDerWaalsContact C-OG 3.29Å; N57-S60 PolarHBondContact O-OG 3.41Å
58R53.2Low55.3Low170 Ų170100.9 Ų100.964%0.64254%0.54SS*.Hα-helixtrans-92.1-28.5171-73.4-173.771.2178.81.4113.1E54 H55 V56 S60 L61 C62E54-R58 WeakPolarHBondContact O-CB 3.32Å; E54-R58 VanDerWaalsContact O-CG 3.3Å; E54-R58 WeakPolarHBondContact O-CG 3.4Å; E54-R58 PolarHBondContact O-N 3.23Å; H55-R58 CarbonylContact O-C 3.53Å; H55-R58 PolarHBondContact O-N 3.35Å; H55-R58 VanDerWaalsContact O-N 3.1Å; V56-R58 VanDerWaalsContact C-N 3.25Å; V56-R58 PolarHBondContact O-N 3.35Å; R58-S60 VanDerWaalsContact C-N 3.32Å; R58-L61 WeakPolarHBondContact O-CB 3.23Å; R58-L61 PolarHBondContact O-N 3.36Å; R58-L61 VanDerWaalsContact O-N 3.09Å; R58-C62 PolarHBondContact O-N 3.29Å
59V53.4Low55.3Low47 Ų47100.5 Ų100.529%0.28554%0.536SS..Hα-helixtrans-68.6-31.8173168.10000111.1H55 V56 L61 C62 C66H55-V59 VanDerWaalsContact O-CG2 3.28Å; H55-V59 WeakPolarHBondContact O-CG2 3.46Å; H55-V59 PolarHBondContact O-N 3.13Å; V56-V59 PolarHBondContact O-N 3.09Å; V59-L61 PolarHBondContact O-N 2.93Å; V59-C62 CarbonylContact O-C 3.52Å; V59-C62 PolarHBondContact O-N 3.05Å; V59-C66 HydrophobicContact CG1-CB 3.9Å
60S49.7Very low55.2Low74 Ų7498.2 Ų98.252%0.51752%0.524SS..THydrogen-bonded Turntrans-61.6-18.2169.257.30000113.5V56 N57 R58V56-S60 PolarHBondContact O-N 3.03Å; V56-S60 VanDerWaalsContact O-N 3.1Å; N57-S60 VanDerWaalsContact C-OG 3.29Å; N57-S60 PolarHBondContact O-OG 3.41Å; R58-S60 VanDerWaalsContact C-N 3.32Å
61L51.3Low55.1Low150 Ų15098.4 Ų98.479%0.78552%0.517SS*.THydrogen-bonded Turntrans-92.3-14171-64166.5000113.3R58 V59R58-L61 WeakPolarHBondContact O-CB 3.23Å; R58-L61 PolarHBondContact O-N 3.36Å; R58-L61 VanDerWaalsContact O-N 3.09Å; V59-L61 PolarHBondContact O-N 2.93Å
62C54.3Low55.2Low87 Ų8796.8 Ų96.859%0.58851%0.513SS*.SBendtrans-108.586-177.1-123.70000110.2R58 V59 C66R58-C62 PolarHBondContact O-N 3.29Å; V59-C62 CarbonylContact O-C 3.52Å; V59-C62 PolarHBondContact O-N 3.05Å; C62-C66 WeakPolarHBondContact O-CB 3.45Å
63H49.3Very low55.2Low122 Ų12294.9 Ų94.957%0.56551%0.509SS*.  trans61.9127.2174.2-149.1-104.2000115.5D65 C66H63-D65 IonicContact CE1-OD2 2.99Å; H63-D65 PolarHBondContact CE1-OD2 3.02Å; H63-D65 IonicContact ND1-OD2 3.19Å; H63-D65 PolarHBondContact ND1-OD2 3.27Å; H63-D65 VanDerWaalsContact ND1-OD2 3.12Å; H63-D65 PolarHBondContact O-N 3.36Å; H63-C66 PolarHBondContact O-N 3.38Å; H63-C66 VanDerWaalsContact O-N 3.08Å
64P57.1Low55.2Low96 Ų9693 Ų9362%0.62350%0.503SS*.Hα-helixtrans-50.9-34.4-177.8-25.932.9000114S67 A68P64-S67 PolarHBondContact O-N 3.31Å; P64-S67 PolarHBondContact O-OG 3.24Å; P64-A68 PolarHBondContact O-N 3.34Å
65D52.6Low55.4Low103 Ų10390.3 Ų90.355%0.55150%0.495SS*.Hα-helixtrans-70-32.6-177.2-59.1-35.4000114.1H63 A68 V69H63-D65 IonicContact CE1-OD2 2.99Å; H63-D65 PolarHBondContact CE1-OD2 3.02Å; H63-D65 IonicContact ND1-OD2 3.19Å; H63-D65 PolarHBondContact ND1-OD2 3.27Å; H63-D65 VanDerWaalsContact ND1-OD2 3.12Å; H63-D65 PolarHBondContact O-N 3.36Å; D65-A68 PolarHBondContact O-N 3.08Å; D65-V69 WeakPolarHBondContact O-CG2 3.44Å; D65-V69 PolarHBondContact O-N 3.48Å; D65-V69 VanDerWaalsContact O-N 3.09Å
66C48.7Very low55.8Low68 Ų6888.4 Ų88.446%0.45949%0.491SS..Hα-helixtrans-70.4-34.8177.5-75.40000111.7V59 C62 H63 A68 V69 A70V59-C66 HydrophobicContact CG1-CB 3.9Å; C62-C66 WeakPolarHBondContact O-CB 3.45Å; H63-C66 PolarHBondContact O-N 3.38Å; H63-C66 VanDerWaalsContact O-N 3.08Å; C66-A68 VanDerWaalsContact C-N 3.33Å; C66-V69 PolarHBondContact O-N 3.04Å; C66-A70 WeakPolarHBondContact O-CB 3.39Å; C66-A70 PolarHBondContact O-N 2.75Å
67S53.4Low56Low36 Ų3688.1 Ų88.125%0.25249%0.492SS..Hα-helixtrans-66.6-36.4175.478.60000112P64 R71P64-S67 PolarHBondContact O-N 3.31Å; P64-S67 PolarHBondContact O-OG 3.24Å; S67-R71 WeakPolarHBondContact O-CB 3.49Å; S67-R71 WeakPolarHBondContact O-CG 3.5Å; S67-R71 PolarHBondContact O-N 3.23Å
68A57.2Low56.7Low55 Ų5588.2 Ų88.246%0.45549%0.491SS..Hα-helixtrans-67.9-43.1176.400000111.3P64 D65 C66 R71 S72P64-A68 PolarHBondContact O-N 3.34Å; D65-A68 PolarHBondContact O-N 3.08Å; C66-A68 VanDerWaalsContact C-N 3.33Å; A68-R71 PolarHBondContact O-N 3.02Å; A68-S72 VanDerWaalsContact O-CB 3.23Å; A68-S72 WeakPolarHBondContact O-CB 3.46Å; A68-S72 PolarHBondContact O-N 2.98Å
69V57.6Low57.3Low91 Ų9184.6 Ų84.655%0.55249%0.485SS*.Hα-helixtrans-62.6-50.3175.11740000110.6D65 C66 R71 S72 Q73D65-V69 WeakPolarHBondContact O-CG2 3.44Å; D65-V69 PolarHBondContact O-N 3.48Å; D65-V69 VanDerWaalsContact O-N 3.09Å; C66-V69 PolarHBondContact O-N 3.04Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 2.99Å; V69-S72 WeakPolarHBondContact O-CB 3.21Å; V69-S72 PolarHBondContact O-N 3.47Å; V69-S72 VanDerWaalsContact O-N 3.13Å; V69-Q73 HydrophobicContact CG1-CG 4.18Å; V69-Q73 WeakPolarHBondContact O-CG 3.3Å; V69-Q73 PolarHBondContact O-N 3.02Å
70A57.4Low58.1Low33 Ų3385.8 Ų85.827%0.27349%0.489SS..Hα-helixtrans-58.8-42.6179.200000112.5C66 Q73 L74C66-A70 WeakPolarHBondContact O-CB 3.39Å; C66-A70 PolarHBondContact O-N 2.75Å; A70-Q73 PolarHBondContact O-N 2.75Å; A70-L74 WeakPolarHBondContact O-CG 3.42Å; A70-L74 PolarHBondContact O-N 2.85Å
71R58.9Low59Low188 Ų18888.1 Ų88.171%0.70949%0.492SS*.Hα-helixtrans-66.7-38.6175.8-70.6174.472.4-168.42.3112.4S67 A68 V69 Q73 L74 T75S67-R71 WeakPolarHBondContact O-CB 3.49Å; S67-R71 WeakPolarHBondContact O-CG 3.5Å; S67-R71 PolarHBondContact O-N 3.23Å; A68-R71 PolarHBondContact O-N 3.02Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 2.99Å; R71-Q73 VanDerWaalsContact C-N 3.33Å; R71-L74 PolarHBondContact O-N 3.36Å; R71-T75 WeakPolarHBondContact O-CG2 3.28Å; R71-T75 PolarHBondContact O-N 2.9Å
72S62.3Low59.9Low62 Ų6285.7 Ų85.743%0.43448%0.48SS..Hα-helixtrans-65.9-36.1175.8-163.30000111.7A68 V69 T75 T76A68-S72 VanDerWaalsContact O-CB 3.23Å; A68-S72 WeakPolarHBondContact O-CB 3.46Å; A68-S72 PolarHBondContact O-N 2.98Å; V69-S72 WeakPolarHBondContact O-CB 3.21Å; V69-S72 PolarHBondContact O-N 3.47Å; V69-S72 VanDerWaalsContact O-N 3.13Å; S72-T75 VanDerWaalsContact O-CG2 3.29Å; S72-T75 WeakPolarHBondContact O-CG2 3.39Å; S72-T76 WeakPolarHBondContact O-CB 3.34Å; S72-T76 WeakPolarHBondContact O-CG2 3.42Å; S72-T76 PolarHBondContact O-N 3.43Å; S72-T76 VanDerWaalsContact O-N 3.11Å; S72-T76 PolarHBondContact O-OG1 3.5Å
73Q60.3Low60.5Low86 Ų8684.1 Ų84.140%0.40247%0.47SS..Hα-helixtrans-71.5-42.3176.4-64.9-70.683.200111.3F38 V69 A70 R71 T76 S77F38-Q73 VanDerWaalsContact CE2-NE2 3.32Å; V69-Q73 HydrophobicContact CG1-CG 4.18Å; V69-Q73 WeakPolarHBondContact O-CG 3.3Å; V69-Q73 PolarHBondContact O-N 3.02Å; A70-Q73 PolarHBondContact O-N 2.75Å; R71-Q73 VanDerWaalsContact C-N 3.33Å; Q73-T76 WeakPolarHBondContact CA-OG1 3.36Å; Q73-T76 PolarHBondContact O-OG1 3.11Å; Q73-S77 WeakPolarHBondContact O-CB 3.38Å; Q73-S77 PolarHBondContact O-N 2.93Å
74L60Low61.6Low85 Ų8582.1 Ų82.145%0.44547%0.466SS..Hα-helixtrans-64.1-46.4176.7-72.9168.7000112A70 R71 S77 L78A70-L74 WeakPolarHBondContact O-CG 3.42Å; A70-L74 PolarHBondContact O-N 2.85Å; R71-L74 PolarHBondContact O-N 3.36Å; L74-S77 PolarHBondContact O-N 3.01Å; L74-L78 WeakPolarHBondContact O-CD1 3.22Å; L74-L78 PolarHBondContact O-N 3.48Å
75T61.7Low62.3Low70 Ų7079.8 Ų79.843%0.42945%0.452SS..Hα-helixtrans-63.9-43.9178.7-168.20000111.7R71 S72 S77 L78 D79R71-T75 WeakPolarHBondContact O-CG2 3.28Å; R71-T75 PolarHBondContact O-N 2.9Å; S72-T75 VanDerWaalsContact O-CG2 3.29Å; S72-T75 WeakPolarHBondContact O-CG2 3.39Å; T75-S77 VanDerWaalsContact C-N 3.3Å; T75-S77 PolarHBondContact O-N 3.34Å; T75-L78 PolarHBondContact O-N 2.87Å; T75-D79 WeakPolarHBondContact O-CB 3.46Å; T75-D79 PolarHBondContact O-N 3.09Å; T75-D79 PolarHBondContact OG1-OD2 3.45Å
76T64.8Low63.1Low60 Ų6080.4 Ų80.437%0.36845%0.454SS..Hα-helixtrans-65.5-34.6179.5500000112S72 Q73 L80S72-T76 WeakPolarHBondContact O-CB 3.34Å; S72-T76 WeakPolarHBondContact O-CG2 3.42Å; S72-T76 PolarHBondContact O-N 3.43Å; S72-T76 VanDerWaalsContact O-N 3.11Å; S72-T76 PolarHBondContact O-OG1 3.5Å; Q73-T76 WeakPolarHBondContact CA-OG1 3.36Å; Q73-T76 PolarHBondContact O-OG1 3.11Å; T76-L80 VanDerWaalsContact O-CB 3.3Å; T76-L80 WeakPolarHBondContact O-CB 3.44Å; T76-L80 PolarHBondContact O-N 3.27Å
77S61.2Low64Low55 Ų5586.5 Ų86.539%0.38547%0.468SS..Hα-helixtrans-65.7-45.6174.1-170.70000112.3Q73 L74 T75 L80 Q81Q73-S77 WeakPolarHBondContact O-CB 3.38Å; Q73-S77 PolarHBondContact O-N 2.93Å; L74-S77 PolarHBondContact O-N 3.01Å; T75-S77 VanDerWaalsContact C-N 3.3Å; T75-S77 PolarHBondContact O-N 3.34Å; S77-L80 PolarHBondContact O-N 2.98Å; S77-Q81 WeakPolarHBondContact O-CB 3.46Å; S77-Q81 PolarHBondContact O-N 3.48Å
78L66.3Low64.5Low114 Ų11488.1 Ų88.160%0.59748%0.477SS*.Hα-helixtrans-60.8-47.2173.5-84.7144.1000112L74 T75 L80 Q81 D82L74-L78 WeakPolarHBondContact O-CD1 3.22Å; L74-L78 PolarHBondContact O-N 3.48Å; T75-L78 PolarHBondContact O-N 2.87Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L78-L80 PolarHBondContact O-N 3.13Å; L78-Q81 WeakPolarHBondContact O-CB 3.2Å; L78-Q81 PolarHBondContact O-N 2.94Å; L78-D82 PolarHBondContact O-N 3.12Å
79D66.9Low65.3Low94 Ų9489.3 Ų89.350%0.50348%0.478SS..Hα-helixtrans-62.2-38177.8-75.3-54.8000112T75 S83T75-D79 WeakPolarHBondContact O-CB 3.46Å; T75-D79 PolarHBondContact O-N 3.09Å; T75-D79 PolarHBondContact OG1-OD2 3.45Å; D79-S83 WeakPolarHBondContact O-CB 3.29Å; D79-S83 PolarHBondContact O-N 3.06Å
80L69Low66.1Low72 Ų7289.5 Ų89.538%0.37748%0.48SS..Hα-helixtrans-67.6-41.4176.7-146.981.7000110.9T76 S77 L78 S83 V84T76-L80 VanDerWaalsContact O-CB 3.3Å; T76-L80 WeakPolarHBondContact O-CB 3.44Å; T76-L80 PolarHBondContact O-N 3.27Å; S77-L80 PolarHBondContact O-N 2.98Å; L78-L80 VanDerWaalsContact C-N 3.32Å; L78-L80 PolarHBondContact O-N 3.13Å; L80-S83 PolarHBondContact O-N 3.33Å; L80-V84 WeakPolarHBondContact O-CB 3.39Å; L80-V84 VanDerWaalsContact O-CG2 3.23Å; L80-V84 WeakPolarHBondContact O-CG2 3.19Å; L80-V84 PolarHBondContact O-N 2.87Å
81Q68.3Low66.8Low123 Ų12395.3 Ų95.358%0.57551%0.505SS*.Hα-helixtrans-64.2-43177.8-170.768.851.500111.6S77 L78 S85S77-Q81 WeakPolarHBondContact O-CB 3.46Å; S77-Q81 PolarHBondContact O-N 3.48Å; L78-Q81 WeakPolarHBondContact O-CB 3.2Å; L78-Q81 PolarHBondContact O-N 2.94Å; Q81-S85 WeakPolarHBondContact O-CB 3.48Å; Q81-S85 PolarHBondContact O-N 3.43Å; Q81-S85 PolarHBondContact O-OG 3.1Å
82D69.9Low67.2Low99 Ų9993.6 Ų93.653%0.52951%0.51SS..Hα-helixtrans-66.2-41.9175.9-79-20.3000111.4L78 S85 L86L78-D82 PolarHBondContact O-N 3.12Å; D82-S85 PolarHBondContact O-N 3.39Å; D82-L86 WeakPolarHBondContact O-CB 3.38Å; D82-L86 WeakPolarHBondContact O-CD1 3.23Å; D82-L86 WeakPolarHBondContact O-CG 3.16Å; D82-L86 PolarHBondContact O-N 3.1Å
83S68.1Low67.1Low55 Ų55100 Ų10039%0.38554%0.538SS..Hα-helixtrans-62.1-45.9176.1-173.70000112D79 L80 S85 L86 W87D79-S83 WeakPolarHBondContact O-CB 3.29Å; D79-S83 PolarHBondContact O-N 3.06Å; L80-S83 PolarHBondContact O-N 3.33Å; S83-S85 VanDerWaalsContact C-N 3.33Å; S83-S85 PolarHBondContact O-N 3.32Å; S83-L86 PolarHBondContact O-N 2.78Å; S83-W87 WeakPolarHBondContact O-CB 3.49Å; S83-W87 PolarHBondContact O-N 3.37Å
84V72.8Confident67.4Low79 Ų79100.8 Ų100.848%0.47955%0.545SS..Hα-helixtrans-63.6-39.8175.8171.20000111.1L80 W87 T88L80-V84 WeakPolarHBondContact O-CB 3.39Å; L80-V84 VanDerWaalsContact O-CG2 3.23Å; L80-V84 WeakPolarHBondContact O-CG2 3.19Å; L80-V84 PolarHBondContact O-N 2.87Å; V84-W87 PolarHBondContact O-N 3.19Å; V84-T88 HydrophobicContact CG1-CG2 4.41Å; V84-T88 WeakPolarHBondContact O-CB 3.34Å; V84-T88 WeakPolarHBondContact O-CG2 3.41Å; V84-T88 PolarHBondContact O-N 3.33Å; V84-T88 PolarHBondContact O-OG1 2.75Å
85S70.1Confident67.8Low48 Ų48101.6 Ų101.634%0.33655%0.55SS.*Hα-helixtrans-65.3-40.4177.2-58.90000111.9Q81 D82 S83 T88 T89Q81-S85 WeakPolarHBondContact O-CB 3.48Å; Q81-S85 PolarHBondContact O-N 3.43Å; Q81-S85 PolarHBondContact O-OG 3.1Å; D82-S85 PolarHBondContact O-N 3.39Å; S83-S85 VanDerWaalsContact C-N 3.33Å; S83-S85 PolarHBondContact O-N 3.32Å; S85-T88 WeakPolarHBondContact CA-OG1 3.38Å; S85-T88 PolarHBondContact O-OG1 3.44Å; S85-T89 VanDerWaalsContact O-CB 3.31Å; S85-T89 WeakPolarHBondContact O-CB 3.33Å; S85-T89 PolarHBondContact O-N 3.08Å; S85-T89 PolarHBondContact O-OG1 2.8Å
86L71.1Confident68.1Low115 Ų115103.3 Ų103.360%0.60256%0.557SS**Hα-helixtrans-65.3-44175.2-84.6157.4000112D82 S83 T90D82-L86 WeakPolarHBondContact O-CB 3.38Å; D82-L86 WeakPolarHBondContact O-CD1 3.23Å; D82-L86 WeakPolarHBondContact O-CG 3.16Å; D82-L86 PolarHBondContact O-N 3.1Å; S83-L86 PolarHBondContact O-N 2.78Å; L86-T90 WeakPolarHBondContact O-CB 3.29Å; L86-T90 PolarHBondContact O-N 3.17Å; L86-T90 PolarHBondContact O-OG1 3.34Å
87W65.8Low68.3Low197 Ų197105.9 Ų105.975%0.74657%0.568SS**Hα-helixtrans-64.6-45.7178.9-86.857.5000112.3S83 V84 T90 L91S83-W87 WeakPolarHBondContact O-CB 3.49Å; S83-W87 PolarHBondContact O-N 3.37Å; V84-W87 PolarHBondContact O-N 3.19Å; W87-T90 PolarHBondContact O-N 3.09Å; W87-L91 WeakPolarHBondContact O-CB 3.28Å; W87-L91 PolarHBondContact O-N 2.94Å
88T64.9Low68.8Low70 Ų70109.1 Ų109.143%0.42958%0.579SS.*Hα-helixtrans-65.8-40.6178.549.50000112V84 S85 L91 L92V84-T88 HydrophobicContact CG1-CG2 4.41Å; V84-T88 WeakPolarHBondContact O-CB 3.34Å; V84-T88 WeakPolarHBondContact O-CG2 3.41Å; V84-T88 PolarHBondContact O-N 3.33Å; V84-T88 PolarHBondContact O-OG1 2.75Å; S85-T88 WeakPolarHBondContact CA-OG1 3.38Å; S85-T88 PolarHBondContact O-OG1 3.44Å; T88-L91 PolarHBondContact O-N 2.98Å; T88-L92 WeakPolarHBondContact O-CB 3.37Å; T88-L92 WeakPolarHBondContact O-CD1 3.49Å; T88-L92 WeakPolarHBondContact O-CG 3.3Å; T88-L92 PolarHBondContact O-N 3.12Å
89T74.4Confident69Low79 Ų79108.7 Ų108.749%0.48558%0.578SS.*Hα-helixtrans-63.9-41.9175.5-55.90000111.8S85 L91 L92 L93S85-T89 VanDerWaalsContact O-CB 3.31Å; S85-T89 WeakPolarHBondContact O-CB 3.33Å; S85-T89 PolarHBondContact O-N 3.08Å; S85-T89 PolarHBondContact O-OG1 2.8Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3Å; T89-L92 PolarHBondContact O-N 2.93Å; T89-L93 HydrophobicContact CG2-CD1 4.37Å; T89-L93 WeakPolarHBondContact O-CG 3.35Å; T89-L93 PolarHBondContact O-N 2.99Å
90T74.9Confident69.1Low95 Ų95109.8 Ų109.858%0.58358%0.584SS**Hα-helixtrans-67.7-33.5178.7-56.20000112.4L86 W87 L92L86-T90 WeakPolarHBondContact O-CB 3.29Å; L86-T90 PolarHBondContact O-N 3.17Å; L86-T90 PolarHBondContact O-OG1 3.34Å; W87-T90 PolarHBondContact O-N 3.09Å; T90-L92 VanDerWaalsContact C-N 3.32Å
91L70.8Confident69.1Low156 Ų156112.7 Ų112.782%0.81760%0.599SS**Hα-helixtrans-77.2-19.4178.3-164.770000113W87 T88 T89W87-L91 WeakPolarHBondContact O-CB 3.28Å; W87-L91 PolarHBondContact O-N 2.94Å; T88-L91 PolarHBondContact O-N 2.98Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3Å
92L66.9Low69.2Low152 Ų152111.8 Ų111.880%0.79660%0.601SS**THydrogen-bonded Turntrans-93-3178.3-75.9166.2000113.5T88 T89 T90T88-L92 WeakPolarHBondContact O-CB 3.37Å; T88-L92 WeakPolarHBondContact O-CD1 3.49Å; T88-L92 WeakPolarHBondContact O-CG 3.3Å; T88-L92 PolarHBondContact O-N 3.12Å; T89-L92 PolarHBondContact O-N 2.93Å; T90-L92 VanDerWaalsContact C-N 3.32Å
93L60.5Low69.1Low197 Ų197113 Ų113100%1.03161%0.608SS**  trans-102.20174.6-72.1171000111.1T89T89-L93 HydrophobicContact CG2-CD1 4.37Å; T89-L93 WeakPolarHBondContact O-CG 3.35Å; T89-L93 PolarHBondContact O-N 2.99Å

Retrieved 93 of 93 residues in 53.8 ms (Link to these results)