A0A077ZJE6_TRITR Loading...

Histone domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJE6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 91 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
1M62.5Low73.4Confident195 Ų195116 Ų11696%0.96159%0.585SS**  0-38.60-64.9-55.1-106.600113.2N5M1-N5 PolarHBondContact O-N 3Å
2T77.9Confident72.5Confident101 Ų101111.7 Ų111.762%0.6257%0.569SS**Hα-helixtrans-65.8-39.1-177.3-41.20000115N5 R6T2-N5 PolarHBondContact O-N 3.12Å; T2-R6 PolarHBondContact O-N 3.19Å
3E76.2Confident71.4Confident113 Ų113113.8 Ų113.853%0.52857%0.572SS.*Hα-helixtrans-68.9-37.4179.2-80.6-60.812500113.1N5 R6 L7E3-N5 VanDerWaalsContact C-N 3.33Å; E3-N5 PolarHBondContact O-N 3.25Å; E3-R6 WeakPolarHBondContact O-CB 3.38Å; E3-R6 PolarHBondContact O-N 2.81Å; E3-R6 VanDerWaalsContact O-N 3.1Å; E3-R6 IonicContact OE1-CZ 3.83Å; E3-R6 IonicContact OE1-NH1 2.91Å; E3-R6 PolarHBondContact OE1-NH1 3.12Å; E3-L7 PolarHBondContact O-N 2.78Å; E3-L7 VanDerWaalsContact O-N 3.15Å
4L75.3Confident70.3Confident119 Ų119120.4 Ų120.462%0.62359%0.587SS**Hα-helixtrans-64.6-38.2176.9-150.784.9000111.8R6 L7 T8L4-R6 VanDerWaalsContact C-N 3.3Å; L4-R6 PolarHBondContact O-N 3.41Å; L4-L7 PolarHBondContact O-N 3.26Å; L4-T8 WeakPolarHBondContact O-CG2 3.27Å; L4-T8 PolarHBondContact O-N 3.15Å; L4-T8 PolarHBondContact O-OG1 3.26Å; L4-T8 VanDerWaalsContact O-OG1 3.06Å
5N74.8Confident69.2Low97 Ų97122.2 Ų122.252%0.51959%0.593SS.*Hα-helixtrans-69.2-26.2174.5-75.3-16.4000112.6M1 T2 E3 T8 N9M1-N5 PolarHBondContact O-N 3Å; T2-N5 PolarHBondContact O-N 3.12Å; E3-N5 VanDerWaalsContact C-N 3.33Å; E3-N5 PolarHBondContact O-N 3.25Å; N5-T8 WeakPolarHBondContact CA-OG1 3.5Å; N5-T8 PolarHBondContact O-OG1 2.9Å; N5-T8 VanDerWaalsContact O-OG1 3.13Å; N5-N9 VanDerWaalsContact O-CB 3.29Å; N5-N9 WeakPolarHBondContact O-CB 3.47Å; N5-N9 VanDerWaalsContact O-CG 3.25Å; N5-N9 PolarHBondContact O-N 3.48Å; N5-N9 PolarHBondContact O-ND2 3.26Å
6R74.9Confident68.1Low149 Ų149125.5 Ų125.556%0.56260%0.604SS**Hα-helixtrans-72.4-43.6174.5-79.3178.6174.8165.7-5.7111.7T2 E3 L4 N9 L10T2-R6 PolarHBondContact O-N 3.19Å; E3-R6 WeakPolarHBondContact O-CB 3.38Å; E3-R6 PolarHBondContact O-N 2.81Å; E3-R6 VanDerWaalsContact O-N 3.1Å; E3-R6 IonicContact OE1-CZ 3.83Å; E3-R6 IonicContact OE1-NH1 2.91Å; E3-R6 PolarHBondContact OE1-NH1 3.12Å; L4-R6 VanDerWaalsContact C-N 3.3Å; L4-R6 PolarHBondContact O-N 3.41Å; R6-N9 PolarHBondContact O-N 3.46Å; R6-L10 VanDerWaalsContact O-CG 3.29Å; R6-L10 WeakPolarHBondContact O-CG 3.27Å; R6-L10 PolarHBondContact O-N 2.9Å
7L77.6Confident67Low99 Ų99125.8 Ų125.852%0.51861%0.609SS.*Hα-helixtrans-63.5-46.7179.1-64.2176.7000111.6E3 L4 N9 L10 E11E3-L7 PolarHBondContact O-N 2.78Å; E3-L7 VanDerWaalsContact O-N 3.15Å; L4-L7 PolarHBondContact O-N 3.26Å; L7-N9 VanDerWaalsContact C-N 3.33Å; L7-N9 PolarHBondContact O-N 3.43Å; L7-L10 PolarHBondContact O-N 2.89Å; L7-L10 VanDerWaalsContact O-N 3.12Å; L7-E11 WeakPolarHBondContact O-CG 3.5Å; L7-E11 PolarHBondContact O-N 3.29Å
8T77.1Confident65.9Low63 Ų63124.3 Ų124.339%0.38761%0.613SS.*Hα-helixtrans-62.5-37.2177.252.10000112.9L4 N5 T12L4-T8 WeakPolarHBondContact O-CG2 3.27Å; L4-T8 PolarHBondContact O-N 3.15Å; L4-T8 PolarHBondContact O-OG1 3.26Å; L4-T8 VanDerWaalsContact O-OG1 3.06Å; N5-T8 WeakPolarHBondContact CA-OG1 3.5Å; N5-T8 PolarHBondContact O-OG1 2.9Å; N5-T8 VanDerWaalsContact O-OG1 3.13Å; T8-T12 PolarHBondContact O-N 3.42Å; T8-T12 PolarHBondContact O-OG1 2.96Å
9N72.2Confident65.3Low102 Ų102126.7 Ų126.755%0.54562%0.622SS.*Hα-helixtrans-69.5-32.6174.2-80.7-46.2000113N5 R6 L7 T12 K13N5-N9 VanDerWaalsContact O-CB 3.29Å; N5-N9 WeakPolarHBondContact O-CB 3.47Å; N5-N9 VanDerWaalsContact O-CG 3.25Å; N5-N9 PolarHBondContact O-N 3.48Å; N5-N9 PolarHBondContact O-ND2 3.26Å; R6-N9 PolarHBondContact O-N 3.46Å; L7-N9 VanDerWaalsContact C-N 3.33Å; L7-N9 PolarHBondContact O-N 3.43Å; N9-T12 WeakPolarHBondContact CA-OG1 3.37Å; N9-T12 PolarHBondContact O-OG1 3.48Å; N9-K13 WeakPolarHBondContact O-CB 3.49Å; N9-K13 PolarHBondContact O-N 3.29Å
10L71.9Confident65.2Low103 Ų103129.2 Ų129.254%0.53963%0.632SS.*Hα-helixtrans-72.3-39175.1-72.2170.2000111.9R6 L7 K13 R14R6-L10 VanDerWaalsContact O-CG 3.29Å; R6-L10 WeakPolarHBondContact O-CG 3.27Å; R6-L10 PolarHBondContact O-N 2.9Å; L7-L10 PolarHBondContact O-N 2.89Å; L7-L10 VanDerWaalsContact O-N 3.12Å; L10-K13 PolarHBondContact O-N 3.32Å; L10-R14 WeakPolarHBondContact O-CB 3.4Å; L10-R14 VanDerWaalsContact O-CG 3.32Å; L10-R14 WeakPolarHBondContact O-CG 3.43Å; L10-R14 PolarHBondContact O-N 2.69Å
11E67.2Low65.7Low135 Ų135131 Ų13163%0.63164%0.639SS**Hα-helixtrans-65.3-47175.5-71.4-177.3151.900111.9L7 K13 R14 Q15L7-E11 WeakPolarHBondContact O-CG 3.5Å; L7-E11 PolarHBondContact O-N 3.29Å; E11-K13 VanDerWaalsContact C-N 3.35Å; E11-K13 PolarHBondContact O-N 2.72Å; E11-R14 PolarHBondContact O-N 3.36Å; E11-Q15 PolarHBondContact O-N 3.41Å
12T62.2Low67Low64 Ų64123.4 Ų123.439%0.39361%0.605SS.*Hα-helixtrans-66.4-34.417646.10000112.7T8 N9 Q15 K16T8-T12 PolarHBondContact O-N 3.42Å; T8-T12 PolarHBondContact O-OG1 2.96Å; N9-T12 WeakPolarHBondContact CA-OG1 3.37Å; N9-T12 PolarHBondContact O-OG1 3.48Å; T12-Q15 PolarHBondContact O-N 2.9Å; T12-K16 WeakPolarHBondContact O-CG 3.35Å; T12-K16 PolarHBondContact O-N 3.38Å
13K58.1Low67.9Low140 Ų140121.5 Ų121.561%0.60959%0.589SS**Hα-helixtrans-70.9-35.7173.8-167.4174.9-176.3-179.10112.3N9 L10 E11 K16 N17N9-K13 WeakPolarHBondContact O-CB 3.49Å; N9-K13 PolarHBondContact O-N 3.29Å; L10-K13 PolarHBondContact O-N 3.32Å; E11-K13 VanDerWaalsContact C-N 3.35Å; E11-K13 PolarHBondContact O-N 2.72Å; K13-K16 PolarHBondContact O-N 3.03Å; K13-N17 PolarHBondContact O-N 2.83Å
14R56Low68.7Low206 Ų206120.8 Ų120.878%0.77758%0.584SS**Hα-helixtrans-66.3-39.4172-78.9177.671.3171.41.7111.8L10 E11 N17 C18L10-R14 WeakPolarHBondContact O-CB 3.4Å; L10-R14 VanDerWaalsContact O-CG 3.32Å; L10-R14 WeakPolarHBondContact O-CG 3.43Å; L10-R14 PolarHBondContact O-N 2.69Å; E11-R14 PolarHBondContact O-N 3.36Å; R14-N17 PolarHBondContact O-N 2.96Å; R14-C18 PolarHBondContact O-N 3.44Å
15Q54.3Low69.6Low147 Ų147117.9 Ų117.969%0.68757%0.574SS**Hα-helixtrans-64.1-42.7172.8-89.9175.7-11.300112.4E11 T12 N17 C18E11-Q15 PolarHBondContact O-N 3.41Å; T12-Q15 PolarHBondContact O-N 2.9Å; Q15-N17 VanDerWaalsContact C-N 3.26Å; Q15-N17 PolarHBondContact O-N 3.18Å; Q15-C18 WeakPolarHBondContact O-CB 3.43Å; Q15-C18 PolarHBondContact O-N 3.04Å; Q15-C18 VanDerWaalsContact O-N 3.12Å
16K51.2Low70.6Confident175 Ų175119.8 Ų119.876%0.76157%0.574SS**Hα-helixtrans-65.6-25.8178.3-77.9178.7177179.60114.2T12 K13T12-K16 WeakPolarHBondContact O-CG 3.35Å; T12-K16 PolarHBondContact O-N 3.38Å; K13-K16 PolarHBondContact O-N 3.03Å
17N49.6Very low71.6Confident131 Ų131113.9 Ų113.970%0.70155%0.554SS**THydrogen-bonded Turntrans-85.6-7.6175.8-80.15.1000113.5K13 R14 Q15 Q19K13-N17 PolarHBondContact O-N 2.83Å; R14-N17 PolarHBondContact O-N 2.96Å; Q15-N17 VanDerWaalsContact C-N 3.26Å; Q15-N17 PolarHBondContact O-N 3.18Å; N17-Q19 PolarHBondContact O-N 3.39Å
18C47.2Very low72.5Confident99 Ų99114.9 Ų114.967%0.66955%0.551SS**SBendtrans-80.974.9166.2-147.20000106.9R14 Q15 E20R14-C18 PolarHBondContact O-N 3.44Å; Q15-C18 WeakPolarHBondContact O-CB 3.43Å; Q15-C18 PolarHBondContact O-N 3.04Å; Q15-C18 VanDerWaalsContact O-N 3.12Å; C18-E20 PolarHBondContact O-N 3.3Å
19Q54.9Low73.4Confident170 Ų170118 Ų11879%0.79456%0.559SS**  trans-59.2105.5174.5-167.7173.4-17.600106.5N17 E21N17-Q19 PolarHBondContact O-N 3.39Å; Q19-E21 PolarHBondContact O-N 3.27Å
20E63.3Low74.6Confident175 Ų175117 Ų11782%0.81856%0.557SS**  trans-56.1112.6174.6-73.1-174.5156.800107.3C18 S22C18-E20 PolarHBondContact O-N 3.3Å; E20-S22 WeakPolarHBondContact O-CB 3.43Å; E20-S22 PolarHBondContact O-N 3.04Å
21E75.5Confident75.8Confident168 Ų168113.7 Ų113.779%0.78554%0.54SS*.  trans-53.8108.2173.2-75.9-67.7153.300107.4Q19Q19-E21 PolarHBondContact O-N 3.27Å
22S90.8Very high77.2Confident35 Ų35110 Ų11025%0.24552%0.521CS..  trans-117.6137.3-170.4-179.60000110.3E20 K24 N49E20-S22 WeakPolarHBondContact O-CB 3.43Å; E20-S22 PolarHBondContact O-N 3.04Å; S22-K24 PolarHBondContact O-N 2.78Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 WeakPolarHBondContact OG-CD 3.49Å; S22-K24 WeakPolarHBondContact OG-CG 3.34Å; S22-K24 PolarHBondContact OG-N 3.47Å; S22-N49 PolarHBondContact OG-OD1 2.89Å
23F94.8Very high78.9Confident62 Ų62115.4 Ų115.427%0.27254%0.54SS..THydrogen-bonded Turntrans-71.8-5.3177.2-67.3-73.8000113.5S25 Y26 I27 N49 A52 N53 L56F23-S25 VanDerWaalsContact C-N 3.3Å; F23-S25 PolarHBondContact O-N 3.32Å; F23-Y26 HydrophobicContact CD1-CD2 4.47Å; F23-Y26 PolarHBondContact O-N 2.97Å; F23-I27 HydrophobicContact CB-CD1 3.78Å; F23-I27 HydrophobicContact CB-CG1 4.22Å; F23-I27 WeakPolarHBondContact O-CD1 3.47Å; F23-I27 VanDerWaalsContact O-CG1 3.28Å; F23-I27 WeakPolarHBondContact O-CG1 3.46Å; F23-I27 PolarHBondContact O-N 3.27Å; F23-N49 PolarHBondContact N-OD1 3.38Å; F23-A52 HydrophobicContact CB-CB 3.91Å; F23-A52 HydrophobicContact CD1-CB 4.32Å; F23-A52 HydrophobicContact CD2-CB 3.51Å; F23-A52 HydrophobicContact CE2-CB 4.09Å; F23-A52 HydrophobicContact CG-CB 3.63Å; F23-N53 WeakPolarHBondContact CE2-OD1 3.46Å; F23-L56 HydrophobicContact CZ-CD2 4.08Å
24K94.2Very high80.7Confident97 Ų97114.4 Ų114.442%0.42254%0.541SS..Hα-helixtrans-51.9-43.2-174-70.7173.8-176.9177.80113.8S22 Y28 M45 N49S22-K24 PolarHBondContact O-N 2.78Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 WeakPolarHBondContact OG-CD 3.49Å; S22-K24 WeakPolarHBondContact OG-CG 3.34Å; S22-K24 PolarHBondContact OG-N 3.47Å; K24-Y28 WeakPolarHBondContact O-CB 3.41Å; K24-Y28 PolarHBondContact O-N 3.08Å; K24-M45 HydrophobicContact CB-CG 4.21Å; K24-M45 HydrophobicContact CB-SD 3.83Å; K24-M45 HydrophobicContact CD-CG 4.14Å; K24-M45 HydrophobicContact CG-CG 3.65Å; K24-M45 HydrophobicContact CG-SD 3.74Å; K24-N49 HydrophobicContact CG-CB 4.37Å
25S93.9Very high82.7Confident59 Ų59109.5 Ų109.541%0.41353%0.526SS..Hα-helixtrans-67.2-37.9-179.872.30000112.1F23 K29F23-S25 VanDerWaalsContact C-N 3.3Å; F23-S25 PolarHBondContact O-N 3.32Å; S25-K29 WeakPolarHBondContact O-CB 3.32Å; S25-K29 VanDerWaalsContact O-CG 3.26Å; S25-K29 WeakPolarHBondContact O-CG 3.42Å; S25-K29 PolarHBondContact O-N 2.87Å
26Y95.6Very high84.7Confident136 Ų136106.8 Ų106.853%0.53352%0.521SS..Hα-helixtrans-72.1-44177.8-59.8-82.5000111.5F23 Y28 K29 V30F23-Y26 HydrophobicContact CD1-CD2 4.47Å; F23-Y26 PolarHBondContact O-N 2.97Å; Y26-Y28 VanDerWaalsContact C-N 3.28Å; Y26-Y28 PolarHBondContact O-N 3.38Å; Y26-K29 PolarHBondContact O-N 3.49Å; Y26-V30 WeakPolarHBondContact O-CG2 3.48Å; Y26-V30 PolarHBondContact O-N 3.42Å
27I96.1Very high86.9Confident25 Ų25105 Ų10513%0.12852%0.52CS..Hα-helixtrans-55.5-47.5175.1-66.7159.4000109.6F23 V30 L31 I40 M45 M48 N49F23-I27 HydrophobicContact CB-CD1 3.78Å; F23-I27 HydrophobicContact CB-CG1 4.22Å; F23-I27 WeakPolarHBondContact O-CD1 3.47Å; F23-I27 VanDerWaalsContact O-CG1 3.28Å; F23-I27 WeakPolarHBondContact O-CG1 3.46Å; F23-I27 PolarHBondContact O-N 3.27Å; I27-V30 PolarHBondContact O-N 2.9Å; I27-L31 WeakPolarHBondContact O-CB 3.28Å; I27-L31 PolarHBondContact O-N 3.38Å; I27-I40 HydrophobicContact CG2-CD1 4.28Å; I27-M45 HydrophobicContact CB-CE 4.43Å; I27-M45 HydrophobicContact CB-SD 4.01Å; I27-M45 HydrophobicContact CD1-SD 4.18Å; I27-M45 HydrophobicContact CG2-CE 4.12Å; I27-M45 HydrophobicContact CG2-SD 3.84Å; I27-M48 HydrophobicContact CD1-CB 3.72Å; I27-M48 HydrophobicContact CG1-CB 4.37Å; I27-M48 HydrophobicContact CG2-CB 4.06Å; I27-M48 HydrophobicContact CG2-CG 4.46Å; I27-N49 HydrophobicContact CD1-CB 4.38Å
28Y95.8Very high89.1Confident120 Ų120101.6 Ų101.647%0.47150%0.504SS..Hα-helixtrans-63.2-44.6177.2-174.8-101000112.9K24 Y26 V30 L31 K32 I40K24-Y28 WeakPolarHBondContact O-CB 3.41Å; K24-Y28 PolarHBondContact O-N 3.08Å; Y26-Y28 VanDerWaalsContact C-N 3.28Å; Y26-Y28 PolarHBondContact O-N 3.38Å; Y28-V30 VanDerWaalsContact C-N 3.34Å; Y28-V30 PolarHBondContact O-N 2.95Å; Y28-L31 PolarHBondContact O-N 2.81Å; Y28-K32 HydrophobicContact CD1-CG 4.35Å; Y28-K32 HydrophobicContact CE1-CG 3.9Å; Y28-K32 HydrophobicContact CE2-CD 4.49Å; Y28-K32 HydrophobicContact CE2-CG 4.11Å; Y28-K32 PolarHBondContact O-N 3.43Å; Y28-K32 VanDerWaalsContact OH-CE 3.27Å; Y28-K32 WeakPolarHBondContact OH-CE 3.14Å; Y28-I40 HydrophobicContact CD2-CG2 4.49Å
29K96.4Very high91.4Very high128 Ų128104.9 Ų104.956%0.55751%0.509SS*.Hα-helixtrans-61.2-40.3177.6-77172.4-176.91760112.5S25 Y26 K33S25-K29 WeakPolarHBondContact O-CB 3.32Å; S25-K29 VanDerWaalsContact O-CG 3.26Å; S25-K29 WeakPolarHBondContact O-CG 3.42Å; S25-K29 PolarHBondContact O-N 2.87Å; Y26-K29 PolarHBondContact O-N 3.49Å; K29-K33 WeakPolarHBondContact O-CG 3.26Å; K29-K33 PolarHBondContact O-N 3.18Å
30V97Very high93.3Very high82 Ų8299.1 Ų99.150%0.49748%0.483SS..Hα-helixtrans-70.6-43.7177.9173.50000110.6Y26 I27 Y28 K32 K33 L34Y26-V30 WeakPolarHBondContact O-CG2 3.48Å; Y26-V30 PolarHBondContact O-N 3.42Å; I27-V30 PolarHBondContact O-N 2.9Å; Y28-V30 VanDerWaalsContact C-N 3.34Å; Y28-V30 PolarHBondContact O-N 2.95Å; V30-K32 PolarHBondContact O-N 3.3Å; V30-K33 WeakPolarHBondContact O-CB 3.32Å; V30-K33 PolarHBondContact O-N 3.45Å; V30-K33 VanDerWaalsContact O-N 3.12Å; V30-L34 HydrophobicContact CG1-CD1 4.1Å; V30-L34 PolarHBondContact O-N 3.33Å
31L97.1Very high94.9Very high34 Ų3493 Ų9318%0.17847%0.468CS..Hα-helixtrans-56.2-49.2176.5179.565.1000111.3I27 Y28 K33 L34 H35 V38 I40I27-L31 WeakPolarHBondContact O-CB 3.28Å; I27-L31 PolarHBondContact O-N 3.38Å; Y28-L31 PolarHBondContact O-N 2.81Å; L31-K33 PolarHBondContact O-N 3.19Å; L31-L34 PolarHBondContact O-N 2.96Å; L31-L34 VanDerWaalsContact O-N 3.12Å; L31-H35 CarbonylContact O-C 3.57Å; L31-H35 PolarHBondContact O-N 3Å; L31-V38 HydrophobicContact CD1-CG1 4.17Å; L31-I40 HydrophobicContact CD2-CB 3.71Å; L31-I40 HydrophobicContact CD2-CG2 3.69Å
32K97Very high95.8Very high56 Ų5690.4 Ų90.424%0.24347%0.467CS..Hα-helixtrans-68.1-19.5180-68.8-54.9-169.7-1760114.4Y28 V30 P36 V38Y28-K32 HydrophobicContact CD1-CG 4.35Å; Y28-K32 HydrophobicContact CE1-CG 3.9Å; Y28-K32 HydrophobicContact CE2-CD 4.49Å; Y28-K32 HydrophobicContact CE2-CG 4.11Å; Y28-K32 PolarHBondContact O-N 3.43Å; Y28-K32 VanDerWaalsContact OH-CE 3.27Å; Y28-K32 WeakPolarHBondContact OH-CE 3.14Å; V30-K32 PolarHBondContact O-N 3.3Å; K32-P36 PolarHBondContact NZ-O 2.95Å; K32-V38 PolarHBondContact NZ-O 3.27Å
33K97.3Very high96.1Very high178 Ų17896 Ų9677%0.77449%0.487SS*.Hα-helixtrans-76.4-34171.1-77.1178.8176.1-172.40112.8K29 V30 L31K29-K33 WeakPolarHBondContact O-CG 3.26Å; K29-K33 PolarHBondContact O-N 3.18Å; V30-K33 WeakPolarHBondContact O-CB 3.32Å; V30-K33 PolarHBondContact O-N 3.45Å; V30-K33 VanDerWaalsContact O-N 3.12Å; L31-K33 PolarHBondContact O-N 3.19Å
34L97.4Very high96.2Very high120 Ų12095 Ų9563%0.62849%0.49SS*.Hα-helixtrans-91.1-40.9-177.2-66.9172.6000112.6V30 L31V30-L34 HydrophobicContact CG1-CD1 4.1Å; V30-L34 PolarHBondContact O-N 3.33Å; L31-L34 PolarHBondContact O-N 2.96Å; L31-L34 VanDerWaalsContact O-N 3.12Å
35H97Very high96.3Very high102 Ų10291.6 Ų91.647%0.47248%0.476SS..  trans-139.286.1-176.6-62.5-69.5000110.2L31 D37 V38L31-H35 CarbonylContact O-C 3.57Å; L31-H35 PolarHBondContact O-N 3Å; H35-D37 PolarHBondContact O-N 3.26Å; H35-V38 HydrophobicContact CB-CB 3.77Å; H35-V38 HydrophobicContact CB-CG2 3.62Å; H35-V38 PolarHBondContact O-N 3.38Å
36P96.7Very high96.4Very high91 Ų9191.4 Ų91.459%0.59147%0.474SS*.THydrogen-bonded Turntrans-60.1-32.1-176.5-24.334.6000114K32K32-P36 PolarHBondContact NZ-O 2.95Å
37D97.2Very high96.4Very high137 Ų13789 Ų8973%0.73347%0.47SS*.THydrogen-bonded Turntrans-82.6-14.7-177.660.2-43.5000114.1H35H35-D37 PolarHBondContact O-N 3.26Å
38V96.6Very high96.5Very high59 Ų5991.7 Ų91.736%0.35848%0.483SS..  trans-88.7138.3-179175.60000111.2L31 K32 H35L31-V38 HydrophobicContact CD1-CG1 4.17Å; K32-V38 PolarHBondContact NZ-O 3.27Å; H35-V38 HydrophobicContact CB-CB 3.77Å; H35-V38 HydrophobicContact CB-CG2 3.62Å; H35-V38 PolarHBondContact O-N 3.38Å
39E94.8Very high96.5Very high168 Ų16887 Ų8779%0.78547%0.466SS*.  trans-110.9155.4171.5-62.8-171.7169.300111.1
40I95.8Very high96.5Very high49 Ų4984.7 Ų84.725%0.25147%0.466SS..  trans-120124.2179.9-174.4169.1000109.9I27 Y28 L31 A44 M45 M48I27-I40 HydrophobicContact CG2-CD1 4.28Å; Y28-I40 HydrophobicContact CD2-CG2 4.49Å; L31-I40 HydrophobicContact CD2-CB 3.71Å; L31-I40 HydrophobicContact CD2-CG2 3.69Å; I40-A44 HydrophobicContact CD1-CB 4.18Å; I40-A44 HydrophobicContact CG1-CB 3.72Å; I40-M45 HydrophobicContact CD1-CB 4.39Å; I40-M45 HydrophobicContact CD1-CE 4.4Å; I40-M45 HydrophobicContact CG1-CB 4.39Å; I40-M45 HydrophobicContact CG2-CE 3.55Å; I40-M48 HydrophobicContact CD1-CG 4.17Å
41G96Very high96.4Very high47 Ų4786.7 Ų86.749%0.48547%0.468SS..  trans-67.9160176.900000112.7F43 A44 M45G41-F43 VanDerWaalsContact C-N 3.32Å; G41-F43 PolarHBondContact O-N 3.39Å; G41-A44 PolarHBondContact O-N 3.18Å; G41-M45 WeakPolarHBondContact O-CB 3.49Å; G41-M45 PolarHBondContact O-N 3.36Å
42C95Very high96.4Very high113 Ų11386.3 Ų86.376%0.76447%0.47SS*.Hα-helixtrans-60.2-37.6-178.359.60000113.4M45 S46C42-M45 PolarHBondContact O-N 3.16Å; C42-S46 PolarHBondContact O-N 3.4Å; C42-S46 PolarHBondContact O-OG 3.48Å
43F96.3Very high96.3Very high154 Ų15486.7 Ų86.768%0.67548%0.475SS*.Hα-helixtrans-66.2-48.1176.9179.8-110.8000111.8G41 M45 S46 I47G41-F43 VanDerWaalsContact C-N 3.32Å; G41-F43 PolarHBondContact O-N 3.39Å; F43-M45 VanDerWaalsContact C-N 3.3Å; F43-M45 PolarHBondContact O-N 3.16Å; F43-S46 WeakPolarHBondContact O-CB 3.29Å; F43-S46 PolarHBondContact O-N 2.87Å; F43-S46 VanDerWaalsContact O-N 3.15Å; F43-I47 HydrophobicContact CD1-CD1 3.7Å; F43-I47 HydrophobicContact CE1-CD1 3.27Å; F43-I47 HydrophobicContact CE1-CG1 4.33Å; F43-I47 HydrophobicContact CE2-CD1 4.27Å; F43-I47 HydrophobicContact CG-CD1 4.38Å; F43-I47 HydrophobicContact CZ-CD1 3.59Å; F43-I47 HydrophobicContact CZ-CG1 4.28Å; F43-I47 WeakPolarHBondContact O-CG1 3.41Å; F43-I47 PolarHBondContact O-N 3.01Å
44A97.3Very high96.2Very high41 Ų4180.5 Ų80.534%0.33946%0.461SS..Hα-helixtrans-61.3-40.8176.100000111.4I40 G41 S46 I47 M48I40-A44 HydrophobicContact CD1-CB 4.18Å; I40-A44 HydrophobicContact CG1-CB 3.72Å; G41-A44 PolarHBondContact O-N 3.18Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 2.91Å; A44-I47 PolarHBondContact O-N 3.3Å; A44-M48 WeakPolarHBondContact O-CB 3.39Å; A44-M48 VanDerWaalsContact O-CG 3.27Å; A44-M48 WeakPolarHBondContact O-CG 2.99Å; A44-M48 PolarHBondContact O-N 2.97Å
45M96.2Very high96.1Very high24 Ų2476.1 Ų76.112%0.11844%0.44CS..Hα-helixtrans-60.4-41.2174.5-179.359.18100112.3K24 I27 I40 G41 C42 F43 M48 N49K24-M45 HydrophobicContact CB-CG 4.21Å; K24-M45 HydrophobicContact CB-SD 3.83Å; K24-M45 HydrophobicContact CD-CG 4.14Å; K24-M45 HydrophobicContact CG-CG 3.65Å; K24-M45 HydrophobicContact CG-SD 3.74Å; I27-M45 HydrophobicContact CB-CE 4.43Å; I27-M45 HydrophobicContact CB-SD 4.01Å; I27-M45 HydrophobicContact CD1-SD 4.18Å; I27-M45 HydrophobicContact CG2-CE 4.12Å; I27-M45 HydrophobicContact CG2-SD 3.84Å; I40-M45 HydrophobicContact CD1-CB 4.39Å; I40-M45 HydrophobicContact CD1-CE 4.4Å; I40-M45 HydrophobicContact CG1-CB 4.39Å; I40-M45 HydrophobicContact CG2-CE 3.55Å; G41-M45 WeakPolarHBondContact O-CB 3.49Å; G41-M45 PolarHBondContact O-N 3.36Å; C42-M45 PolarHBondContact O-N 3.16Å; F43-M45 VanDerWaalsContact C-N 3.3Å; F43-M45 PolarHBondContact O-N 3.16Å; M45-M48 PolarHBondContact O-N 2.93Å; M45-N49 WeakPolarHBondContact O-CB 3.24Å; M45-N49 PolarHBondContact O-N 3.39Å
46S95.2Very high96Very high55 Ų5575.6 Ų75.639%0.38544%0.441SS..Hα-helixtrans-65.8-42.6174.8-670000112.3C42 F43 A44 M48 N49 S50C42-S46 PolarHBondContact O-N 3.4Å; C42-S46 PolarHBondContact O-OG 3.48Å; F43-S46 WeakPolarHBondContact O-CB 3.29Å; F43-S46 PolarHBondContact O-N 2.87Å; F43-S46 VanDerWaalsContact O-N 3.15Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 2.91Å; S46-M48 VanDerWaalsContact C-N 3.35Å; S46-M48 PolarHBondContact O-N 3.37Å; S46-N49 PolarHBondContact O-N 2.85Å; S46-S50 PolarHBondContact O-N 3.05Å; S46-S50 PolarHBondContact O-OG 2.96Å
47I97Very high95.9Very high87 Ų8776.8 Ų76.845%0.44644%0.438SS..Hα-helixtrans-58.6-47.8174-69.1166.4000110.5F43 A44 N49 S50 F51F43-I47 HydrophobicContact CD1-CD1 3.7Å; F43-I47 HydrophobicContact CE1-CD1 3.27Å; F43-I47 HydrophobicContact CE1-CG1 4.33Å; F43-I47 HydrophobicContact CE2-CD1 4.27Å; F43-I47 HydrophobicContact CG-CD1 4.38Å; F43-I47 HydrophobicContact CZ-CD1 3.59Å; F43-I47 HydrophobicContact CZ-CG1 4.28Å; F43-I47 WeakPolarHBondContact O-CG1 3.41Å; F43-I47 PolarHBondContact O-N 3.01Å; A44-I47 PolarHBondContact O-N 3.3Å; I47-N49 VanDerWaalsContact C-N 3.33Å; I47-N49 PolarHBondContact O-N 3.45Å; I47-S50 PolarHBondContact O-N 3.46Å; I47-F51 WeakPolarHBondContact O-CB 3.31Å; I47-F51 PolarHBondContact O-N 3.02Å
48M96.8Very high95.8Very high80 Ų8071.6 Ų71.639%0.39442%0.417SS..Hα-helixtrans-64.1-37.6180-69.6-61.2-6600112.2I27 I40 A44 M45 S46 F51 A52I27-M48 HydrophobicContact CD1-CB 3.72Å; I27-M48 HydrophobicContact CG1-CB 4.37Å; I27-M48 HydrophobicContact CG2-CB 4.06Å; I27-M48 HydrophobicContact CG2-CG 4.46Å; I40-M48 HydrophobicContact CD1-CG 4.17Å; A44-M48 WeakPolarHBondContact O-CB 3.39Å; A44-M48 VanDerWaalsContact O-CG 3.27Å; A44-M48 WeakPolarHBondContact O-CG 2.99Å; A44-M48 PolarHBondContact O-N 2.97Å; M45-M48 PolarHBondContact O-N 2.93Å; S46-M48 VanDerWaalsContact C-N 3.35Å; S46-M48 PolarHBondContact O-N 3.37Å; M48-F51 PolarHBondContact O-N 3.39Å; M48-A52 WeakPolarHBondContact O-CB 3.4Å; M48-A52 PolarHBondContact O-N 2.97Å
49N95.7Very high95.8Very high23 Ų2370 Ų7012%0.12341%0.407CS..Hα-helixtrans-63.3-43.6173.5-178.978000111.5S22 F23 K24 I27 M45 S46 I47 A52 N53S22-N49 PolarHBondContact OG-OD1 2.89Å; F23-N49 PolarHBondContact N-OD1 3.38Å; K24-N49 HydrophobicContact CG-CB 4.37Å; I27-N49 HydrophobicContact CD1-CB 4.38Å; M45-N49 WeakPolarHBondContact O-CB 3.24Å; M45-N49 PolarHBondContact O-N 3.39Å; S46-N49 PolarHBondContact O-N 2.85Å; I47-N49 VanDerWaalsContact C-N 3.33Å; I47-N49 PolarHBondContact O-N 3.45Å; N49-A52 PolarHBondContact O-N 2.74Å; N49-N53 PolarHBondContact ND2-ND2 3.23Å; N49-N53 WeakPolarHBondContact O-CB 3.31Å; N49-N53 PolarHBondContact O-N 3.06Å; N49-N53 PolarHBondContact O-ND2 3.31Å
50S96.2Very high95.8Very high78 Ų7864.3 Ų64.355%0.54539%0.388SS..Hα-helixtrans-66.1-38175.1-66.40000112.4S46 I47 N53 G54S46-S50 PolarHBondContact O-N 3.05Å; S46-S50 PolarHBondContact O-OG 2.96Å; I47-S50 PolarHBondContact O-N 3.46Å; S50-N53 PolarHBondContact O-N 2.89Å; S50-G54 PolarHBondContact O-N 3.35Å
51F96.5Very high95.8Very high125 Ų12565.9 Ų65.955%0.54840%0.395SS..Hα-helixtrans-61.6-45.6174.3172.5-98.7000112I47 M48 G54 S55I47-F51 WeakPolarHBondContact O-CB 3.31Å; I47-F51 PolarHBondContact O-N 3.02Å; M48-F51 PolarHBondContact O-N 3.39Å; F51-G54 PolarHBondContact O-N 3.03Å; F51-S55 WeakPolarHBondContact O-CB 3.33Å; F51-S55 PolarHBondContact O-N 3.3Å; F51-S55 PolarHBondContact O-OG 3.03Å
52A95.6Very high95.8Very high25 Ų2565.9 Ų65.921%0.20738%0.383CS..Hα-helixtrans-62.4-43.8176.700000111.7F23 M48 N49 S55 L56F23-A52 HydrophobicContact CB-CB 3.91Å; F23-A52 HydrophobicContact CD1-CB 4.32Å; F23-A52 HydrophobicContact CD2-CB 3.51Å; F23-A52 HydrophobicContact CE2-CB 4.09Å; F23-A52 HydrophobicContact CG-CB 3.63Å; M48-A52 WeakPolarHBondContact O-CB 3.4Å; M48-A52 PolarHBondContact O-N 2.97Å; N49-A52 PolarHBondContact O-N 2.74Å; A52-S55 PolarHBondContact O-N 3.22Å; A52-L56 WeakPolarHBondContact O-CB 3.5Å; A52-L56 PolarHBondContact O-N 3.49Å
53N95.4Very high95.9Very high65 Ų6560.5 Ų60.535%0.34835%0.346SS..Hα-helixtrans-61.9-45.1174.3-79.8-47.8000112.5F23 N49 S50 S55 L56 H57F23-N53 WeakPolarHBondContact CE2-OD1 3.46Å; N49-N53 PolarHBondContact ND2-ND2 3.23Å; N49-N53 WeakPolarHBondContact O-CB 3.31Å; N49-N53 PolarHBondContact O-N 3.06Å; N49-N53 PolarHBondContact O-ND2 3.31Å; S50-N53 PolarHBondContact O-N 2.89Å; N53-S55 VanDerWaalsContact C-N 3.35Å; N53-S55 PolarHBondContact O-N 3.25Å; N53-L56 PolarHBondContact O-N 3.26Å; N53-H57 WeakPolarHBondContact O-CB 3.37Å; N53-H57 PolarHBondContact O-N 3.38Å
54G94.8Very high95.8Very high47 Ų4755.8 Ų55.849%0.48533%0.332SS..Hα-helixtrans-62.6-41.3177.900000112.4S50 F51 H57 G58S50-G54 PolarHBondContact O-N 3.35Å; F51-G54 PolarHBondContact O-N 3.03Å; G54-H57 PolarHBondContact O-N 2.91Å; G54-G58 PolarHBondContact O-N 3.38Å
55S95.1Very high95.7Very high28 Ų2859.1 Ų59.120%0.19634%0.336CS..Hα-helixtrans-63.3-46.4175.3-58.70000111.6F51 A52 N53 H57 G58 I59F51-S55 WeakPolarHBondContact O-CB 3.33Å; F51-S55 PolarHBondContact O-N 3.3Å; F51-S55 PolarHBondContact O-OG 3.03Å; A52-S55 PolarHBondContact O-N 3.22Å; N53-S55 VanDerWaalsContact C-N 3.35Å; N53-S55 PolarHBondContact O-N 3.25Å; S55-H57 VanDerWaalsContact C-N 3.34Å; S55-H57 PolarHBondContact O-N 2.91Å; S55-G58 PolarHBondContact O-N 2.99Å; S55-I59 VanDerWaalsContact O-CG1 3.31Å; S55-I59 WeakPolarHBondContact O-CG1 3.5Å; S55-I59 PolarHBondContact O-N 3.5Å
56L95Very high95.7Very high91 Ų9159.4 Ų59.448%0.47634%0.338SS..Hα-helixtrans-61.5-42.7176.6179.764.1000111.7F23 A52 N53 I59 A60F23-L56 HydrophobicContact CZ-CD2 4.08Å; A52-L56 WeakPolarHBondContact O-CB 3.5Å; A52-L56 PolarHBondContact O-N 3.49Å; N53-L56 PolarHBondContact O-N 3.26Å; L56-I59 PolarHBondContact O-N 2.94Å; L56-A60 VanDerWaalsContact O-CB 3.31Å; L56-A60 WeakPolarHBondContact O-CB 3.39Å; L56-A60 PolarHBondContact O-N 3.27Å
57H94.9Very high95.7Very high116 Ų11657 Ų5754%0.53732%0.322SS..Hα-helixtrans-62.2-42.7177.2-175.581000111.9N53 G54 S55 A60 M61N53-H57 WeakPolarHBondContact O-CB 3.37Å; N53-H57 PolarHBondContact O-N 3.38Å; G54-H57 PolarHBondContact O-N 2.91Å; S55-H57 VanDerWaalsContact C-N 3.34Å; S55-H57 PolarHBondContact O-N 2.91Å; H57-A60 PolarHBondContact O-N 3.47Å; H57-M61 VanDerWaalsContact NE2-CE 3.28Å; H57-M61 WeakPolarHBondContact NE2-CE 3.45Å; H57-M61 WeakPolarHBondContact O-CB 2.94Å; H57-M61 PolarHBondContact O-N 2.95Å
58G95Very high95.6Very high29 Ų2961.7 Ų61.730%0.29933%0.334SS..Hα-helixtrans-58.8-49.217500000112.4G54 S55 A60 M61 E62G54-G58 PolarHBondContact O-N 3.38Å; S55-G58 PolarHBondContact O-N 2.99Å; G58-A60 PolarHBondContact O-N 3.33Å; G58-M61 PolarHBondContact O-N 2.94Å; G58-E62 PolarHBondContact O-N 2.96Å; G58-E62 VanDerWaalsContact O-N 3.16Å
59I96.3Very high95.5Very high26 Ų2666.2 Ų66.213%0.13335%0.348CS..Hα-helixtrans-60.4-47.1176.9-63.6162000110.7S55 L56 M61 E62 A63 P83 V84 F88S55-I59 VanDerWaalsContact O-CG1 3.31Å; S55-I59 WeakPolarHBondContact O-CG1 3.5Å; S55-I59 PolarHBondContact O-N 3.5Å; L56-I59 PolarHBondContact O-N 2.94Å; I59-M61 PolarHBondContact O-N 3.21Å; I59-E62 PolarHBondContact O-N 2.92Å; I59-A63 VanDerWaalsContact O-CB 3.24Å; I59-A63 WeakPolarHBondContact O-CB 3.4Å; I59-A63 PolarHBondContact O-N 3Å; I59-P83 HydrophobicContact CG2-CB 4.05Å; I59-V84 HydrophobicContact CD1-CG2 4.09Å; I59-V84 HydrophobicContact CG1-CG2 4.29Å; I59-V84 HydrophobicContact CG2-CG2 4.13Å; I59-F88 HydrophobicContact CD1-CE2 4.03Å; I59-F88 HydrophobicContact CG1-CE2 4.33Å
60A95.9Very high95.4Very high47 Ų4769.6 Ų69.639%0.38837%0.366SS..Hα-helixtrans-64.5-38.1-177.900000112.7L56 H57 G58 S64L56-A60 VanDerWaalsContact O-CB 3.31Å; L56-A60 WeakPolarHBondContact O-CB 3.39Å; L56-A60 PolarHBondContact O-N 3.27Å; H57-A60 PolarHBondContact O-N 3.47Å; G58-A60 PolarHBondContact O-N 3.33Å; A60-S64 WeakPolarHBondContact O-CB 3.41Å; A60-S64 PolarHBondContact O-N 3.33Å
61M96.2Very high95.2Very high82 Ų8273 Ų7340%0.40438%0.378SS..Hα-helixtrans-64.8-45.4177-174.2178.8-62.300111.3H57 G58 I59 S64 R65H57-M61 VanDerWaalsContact NE2-CE 3.28Å; H57-M61 WeakPolarHBondContact NE2-CE 3.45Å; H57-M61 WeakPolarHBondContact O-CB 2.94Å; H57-M61 PolarHBondContact O-N 2.95Å; G58-M61 PolarHBondContact O-N 2.94Å; I59-M61 PolarHBondContact O-N 3.21Å; M61-S64 PolarHBondContact O-N 2.91Å; M61-R65 WeakPolarHBondContact O-CG 3.36Å; M61-R65 PolarHBondContact O-N 3.14Å
62E95.7Very high95Very high48 Ų4869.4 Ų69.422%0.22437%0.368CS..Hα-helixtrans-72.5-34.3-179.7-158.663.1-162.700111.5G58 I59 S64 R65 L66 P83 L86G58-E62 PolarHBondContact O-N 2.96Å; G58-E62 VanDerWaalsContact O-N 3.16Å; I59-E62 PolarHBondContact O-N 2.92Å; E62-S64 PolarHBondContact O-N 3.19Å; E62-R65 PolarHBondContact O-N 3.4Å; E62-R65 VanDerWaalsContact OE2-CD 3.29Å; E62-R65 WeakPolarHBondContact OE2-CD 3.24Å; E62-R65 IonicContact OE2-CZ 2.72Å; E62-R65 IonicContact OE2-NE 2.69Å; E62-R65 IonicContact OE2-NH1 3.12Å; E62-R65 PolarHBondContact OE2-NH1 3.23Å; E62-L66 WeakPolarHBondContact O-CG 3.06Å; E62-L66 PolarHBondContact O-N 3.23Å; E62-P83 HydrophobicContact CB-CB 3.96Å; E62-P83 HydrophobicContact CB-CG 4.1Å; E62-P83 HydrophobicContact CG-CB 4.37Å; E62-P83 HydrophobicContact CG-CG 4.35Å; E62-L86 HydrophobicContact CG-CD1 3.91Å
63A96.3Very high94.8Very high0 Ų076.8 Ų76.80%040%0.404CS..Hα-helixtrans-60.4-44.8170.800000112.1I59 R65 L66 A67 I75 E79 I80 P83I59-A63 VanDerWaalsContact O-CB 3.24Å; I59-A63 WeakPolarHBondContact O-CB 3.4Å; I59-A63 PolarHBondContact O-N 3Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 3.2Å; A63-L66 PolarHBondContact O-N 3.4Å; A63-A67 PolarHBondContact O-N 3.31Å; A63-I75 HydrophobicContact CB-CG2 4.13Å; A63-E79 VanDerWaalsContact CA-O 3.25Å; A63-E79 WeakPolarHBondContact CA-O 3.11Å; A63-E79 WeakPolarHBondContact CB-O 3.48Å; A63-I80 HydrophobicContact CB-CD1 3.87Å; A63-P83 HydrophobicContact CB-CG 3.95Å
64S95.4Very high94.7Very high55 Ų5580.3 Ų80.339%0.38542%0.42SS..Hα-helixtrans-62.9-40.4175.8-179.70000111.7A60 M61 E62 A67 R68A60-S64 WeakPolarHBondContact O-CB 3.41Å; A60-S64 PolarHBondContact O-N 3.33Å; M61-S64 PolarHBondContact O-N 2.91Å; E62-S64 PolarHBondContact O-N 3.19Å; S64-A67 PolarHBondContact O-N 3.26Å; S64-R68 VanDerWaalsContact O-CG 3.28Å; S64-R68 WeakPolarHBondContact O-CG 3.25Å; S64-R68 PolarHBondContact O-N 3.45Å
65R95.2Very high94.7Very high111 Ų11182.1 Ų82.142%0.41942%0.418SS..Hα-helixtrans-62.3-45.5174.7-74169.9174.7173.9-2.2112M61 E62 A63 R68 Y69M61-R65 WeakPolarHBondContact O-CG 3.36Å; M61-R65 PolarHBondContact O-N 3.14Å; E62-R65 PolarHBondContact O-N 3.4Å; E62-R65 VanDerWaalsContact OE2-CD 3.29Å; E62-R65 WeakPolarHBondContact OE2-CD 3.24Å; E62-R65 IonicContact OE2-CZ 2.72Å; E62-R65 IonicContact OE2-NE 2.69Å; E62-R65 IonicContact OE2-NH1 3.12Å; E62-R65 PolarHBondContact OE2-NH1 3.23Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 3.2Å; R65-R68 WeakPolarHBondContact O-CB 3.28Å; R65-R68 PolarHBondContact O-N 2.89Å; R65-Y69 HydrophobicContact CB-CE2 4.11Å; R65-Y69 WeakPolarHBondContact O-CD2 3.25Å; R65-Y69 PolarHBondContact O-N 3.45Å
66L95.1Very high94.6Very high29 Ų2981.9 Ų81.915%0.15242%0.42CS..Hα-helixtrans-62.7-43.5177.2-71.8173.8000112.7E62 A63 R68 Y69 N70 E79 I82 P83E62-L66 WeakPolarHBondContact O-CG 3.06Å; E62-L66 PolarHBondContact O-N 3.23Å; A63-L66 PolarHBondContact O-N 3.4Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 3.07Å; L66-Y69 PolarHBondContact O-N 3.43Å; L66-N70 PolarHBondContact O-N 3.12Å; L66-E79 HydrophobicContact CB-CG 4.34Å; L66-I82 HydrophobicContact CD1-CB 3.77Å; L66-I82 HydrophobicContact CD1-CG2 3.63Å; L66-P83 VanDerWaalsContact CD1-CD 3.43Å; L66-P83 HydrophobicContact CD1-CG 3.56Å
67A95.3Very high94.6Very high6 Ų680.9 Ų80.95%0.0543%0.425CS..Hα-helixtrans-58-43.5175.100000111.2A63 S64 N70 N71 S72 I75 E79A63-A67 PolarHBondContact O-N 3.31Å; S64-A67 PolarHBondContact O-N 3.26Å; A67-N70 CarbonylContact O-C 3.6Å; A67-N70 PolarHBondContact O-N 2.98Å; A67-N71 PolarHBondContact O-N 3.49Å; A67-S72 CarbonylContact C-O 3.56Å; A67-S72 PolarHBondContact O-N 3.27Å; A67-I75 HydrophobicContact CB-CG1 4.06Å; A67-E79 HydrophobicContact CB-CG 4.22Å
68R95.1Very high94.5Very high185 Ų18583.6 Ų83.670%0.69843%0.431SS*.Hα-helixtrans-64-41.2175.4-70.2176.667.9-151.8-1.4113S64 R65 L66 N70 N71S64-R68 VanDerWaalsContact O-CG 3.28Å; S64-R68 WeakPolarHBondContact O-CG 3.25Å; S64-R68 PolarHBondContact O-N 3.45Å; R65-R68 WeakPolarHBondContact O-CB 3.28Å; R65-R68 PolarHBondContact O-N 2.89Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 3.07Å; R68-N70 PolarHBondContact O-N 3Å; R68-N71 PolarHBondContact O-N 3.41Å; R68-N71 VanDerWaalsContact O-N 3.14Å
69Y94.6Very high94.5Very high174 Ų17483.3 Ų83.368%0.68242%0.422SS*.Hα-helixtrans-63.9-32.6175.8-69.3-48.1000112.5R65 L66 N71R65-Y69 HydrophobicContact CB-CE2 4.11Å; R65-Y69 WeakPolarHBondContact O-CD2 3.25Å; R65-Y69 PolarHBondContact O-N 3.45Å; L66-Y69 PolarHBondContact O-N 3.43Å; Y69-N71 VanDerWaalsContact C-N 3.26Å; Y69-N71 PolarHBondContact O-N 2.92Å
70N93.2Very high94.4Very high95 Ų9585.7 Ų85.751%0.50843%0.434SS..THydrogen-bonded Turntrans-83.42.7176.8-68-20000113.4L66 A67 R68 S72 E79L66-N70 PolarHBondContact O-N 3.12Å; A67-N70 CarbonylContact O-C 3.6Å; A67-N70 PolarHBondContact O-N 2.98Å; R68-N70 PolarHBondContact O-N 3Å; N70-S72 PolarHBondContact O-N 2.88Å; N70-E79 PolarHBondContact ND2-OE1 3.43Å
71N93.3Very high94.4Very high150 Ų15089.9 Ų89.980%0.80245%0.445SS*.THydrogen-bonded Turntrans49.236.6-170-58.6-66.5000112.4A67 R68 Y69A67-N71 PolarHBondContact O-N 3.49Å; R68-N71 PolarHBondContact O-N 3.41Å; R68-N71 VanDerWaalsContact O-N 3.14Å; Y69-N71 VanDerWaalsContact C-N 3.26Å; Y69-N71 PolarHBondContact O-N 2.92Å
72S91.6Very high94.3Very high49 Ų4989.4 Ų89.434%0.34344%0.444SS..  trans-103.2129.2178.4-164.80000109.9A67 N70 M74A67-S72 CarbonylContact C-O 3.56Å; A67-S72 PolarHBondContact O-N 3.27Å; N70-S72 PolarHBondContact O-N 2.88Å; S72-M74 PolarHBondContact O-N 3.46Å; S72-M74 PolarHBondContact OG-N 3.47Å; S72-M74 PolarHBondContact OG-O 2.99Å
73D91.7Very high94.3Very high180 Ų18087.1 Ų87.196%0.96343%0.433SS*.SBendtrans-79.6-0.6172.8-62.5-40.4000112.5
74M93.5Very high94.3Very high139 Ų13990.1 Ų90.169%0.68545%0.451SS*.SBendtrans-122.6135.4-177.2-173.6179.5176.800111.2S72S72-M74 PolarHBondContact O-N 3.46Å; S72-M74 PolarHBondContact OG-N 3.47Å; S72-M74 PolarHBondContact OG-O 2.99Å
75I93.6Very high94.2Very high84 Ų8495.8 Ų95.843%0.43146%0.464SS..  trans-89.2106.5170.2-62.1174.3000107.8A63 A67 E79 I80A63-I75 HydrophobicContact CB-CG2 4.13Å; A67-I75 HydrophobicContact CB-CG1 4.06Å; I75-E79 HydrophobicContact CG2-CB 3.82Å; I75-I80 HydrophobicContact CG2-CD1 3.62Å; I75-I80 HydrophobicContact CG2-CG1 3.93Å
76G94Very high94Very high24 Ų2495.5 Ų95.525%0.24747%0.47CS..  trans-87.4-177.9176.100000113.1R78 E79 I80G76-R78 PolarHBondContact O-N 3.2Å; G76-E79 VanDerWaalsContact CA-OE2 3.25Å; G76-E79 WeakPolarHBondContact CA-OE2 3.28Å; G76-E79 PolarHBondContact N-OE2 3.23Å; G76-E79 PolarHBondContact O-N 3.38Å; G76-I80 PolarHBondContact O-N 3.06Å
77A94.7Very high93.9Very high70 Ų7096.9 Ų96.958%0.57948%0.482SS*.Hα-helixtrans-61-34.4175.700000112.2I80 Q81A77-I80 PolarHBondContact O-N 3.13Å; A77-Q81 WeakPolarHBondContact O-CB 3.46Å; A77-Q81 VanDerWaalsContact O-CG 3.24Å; A77-Q81 WeakPolarHBondContact O-CG 3.39Å; A77-Q81 PolarHBondContact O-N 2.76Å
78R93.5Very high93.7Very high173 Ų173101 Ų10165%0.65350%0.498SS*.Hα-helixtrans-64.5-44.8177.5-177.7-178.9-67.5-168.70.6111.2G76 I80 Q81 I82G76-R78 PolarHBondContact O-N 3.2Å; R78-I80 PolarHBondContact O-N 3.19Å; R78-Q81 PolarHBondContact O-N 3.38Å; R78-I82 HydrophobicContact CG-CD1 3.6Å; R78-I82 HydrophobicContact CG-CG1 4.25Å; R78-I82 WeakPolarHBondContact O-CG1 3.37Å; R78-I82 PolarHBondContact O-N 3.05Å
79E93.6Very high93.6Very high23 Ų2397.7 Ų97.711%0.10750%0.501CS..Hα-helixtrans-66.5-14.8177.1-70.565.9-141.600112.6A63 L66 A67 N70 I75 G76 P83A63-E79 VanDerWaalsContact CA-O 3.25Å; A63-E79 WeakPolarHBondContact CA-O 3.11Å; A63-E79 WeakPolarHBondContact CB-O 3.48Å; L66-E79 HydrophobicContact CB-CG 4.34Å; A67-E79 HydrophobicContact CB-CG 4.22Å; N70-E79 PolarHBondContact ND2-OE1 3.43Å; I75-E79 HydrophobicContact CG2-CB 3.82Å; G76-E79 VanDerWaalsContact CA-OE2 3.25Å; G76-E79 WeakPolarHBondContact CA-OE2 3.28Å; G76-E79 PolarHBondContact N-OE2 3.23Å; G76-E79 PolarHBondContact O-N 3.38Å; E79-P83 WeakPolarHBondContact O-CD 3.38Å; E79-P83 WeakPolarHBondContact O-CG 3.29Å
80I95.2Very high93.2Very high75 Ų7595.8 Ų95.839%0.38550%0.499SS..Hα-helixtrans-94.2-41.4170.6-61.4-61.6000111.9A63 I75 G76 A77 R78 P83 V84A63-I80 HydrophobicContact CB-CD1 3.87Å; I75-I80 HydrophobicContact CG2-CD1 3.62Å; I75-I80 HydrophobicContact CG2-CG1 3.93Å; G76-I80 PolarHBondContact O-N 3.06Å; A77-I80 PolarHBondContact O-N 3.13Å; R78-I80 PolarHBondContact O-N 3.19Å; I80-P83 WeakPolarHBondContact O-CD 3.32Å; I80-V84 VanDerWaalsContact O-CG2 3.32Å; I80-V84 WeakPolarHBondContact O-CG2 3.47Å; I80-V84 PolarHBondContact O-N 2.99Å
81Q95.1Very high92.4Very high136 Ų136102.6 Ų102.664%0.63654%0.535SS*.Hα-helixtrans-64.9-41.9-177.9-73.7170.24.800112.7A77 R78 V84 R85A77-Q81 WeakPolarHBondContact O-CB 3.46Å; A77-Q81 VanDerWaalsContact O-CG 3.24Å; A77-Q81 WeakPolarHBondContact O-CG 3.39Å; A77-Q81 PolarHBondContact O-N 2.76Å; R78-Q81 PolarHBondContact O-N 3.38Å; Q81-V84 PolarHBondContact O-N 3.46Å; Q81-R85 PolarHBondContact O-N 3.15Å
82I95.1Very high92.3Very high72 Ų72100.2 Ų100.237%0.36952%0.521SS..Hα-helixtrans-65.6-48.2-179-63.4172.2000111L66 R78 V84 R85 L86L66-I82 HydrophobicContact CD1-CB 3.77Å; L66-I82 HydrophobicContact CD1-CG2 3.63Å; R78-I82 HydrophobicContact CG-CD1 3.6Å; R78-I82 HydrophobicContact CG-CG1 4.25Å; R78-I82 WeakPolarHBondContact O-CG1 3.37Å; R78-I82 PolarHBondContact O-N 3.05Å; I82-V84 VanDerWaalsContact C-N 3.29Å; I82-V84 PolarHBondContact O-N 3.19Å; I82-R85 WeakPolarHBondContact O-CA 3.35Å; I82-R85 WeakPolarHBondContact O-CB 3.49Å; I82-R85 PolarHBondContact O-N 3.12Å; I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 2.97Å
83P95Very high92.4Very high0 Ų0102.9 Ų102.90%053%0.531CS..Hα-helixtrans-55.7-38.6173.1-37.445.4000114.9I59 E62 A63 L66 E79 I80 R85 L86 C87I59-P83 HydrophobicContact CG2-CB 4.05Å; E62-P83 HydrophobicContact CB-CB 3.96Å; E62-P83 HydrophobicContact CB-CG 4.1Å; E62-P83 HydrophobicContact CG-CB 4.37Å; E62-P83 HydrophobicContact CG-CG 4.35Å; A63-P83 HydrophobicContact CB-CG 3.95Å; L66-P83 VanDerWaalsContact CD1-CD 3.43Å; L66-P83 HydrophobicContact CD1-CG 3.56Å; E79-P83 WeakPolarHBondContact O-CD 3.38Å; E79-P83 WeakPolarHBondContact O-CG 3.29Å; I80-P83 WeakPolarHBondContact O-CD 3.32Å; P83-R85 VanDerWaalsContact C-N 3.26Å; P83-R85 PolarHBondContact O-N 2.76Å; P83-L86 PolarHBondContact O-N 3.1Å; P83-L86 VanDerWaalsContact O-N 3.08Å; P83-C87 VanDerWaalsContact O-CB 3.32Å; P83-C87 WeakPolarHBondContact O-CB 3.39Å; P83-C87 PolarHBondContact O-N 3.22Å; P83-C87 PolarHBondContact O-SG 3.47Å
84V95.6Very high92.4Very high62 Ų6298.6 Ų98.638%0.37651%0.507SS..Hα-helixtrans-60-42.1175.9173.60000110.2I59 I80 Q81 I82 L86 F88I59-V84 HydrophobicContact CD1-CG2 4.09Å; I59-V84 HydrophobicContact CG1-CG2 4.29Å; I59-V84 HydrophobicContact CG2-CG2 4.13Å; I80-V84 VanDerWaalsContact O-CG2 3.32Å; I80-V84 WeakPolarHBondContact O-CG2 3.47Å; I80-V84 PolarHBondContact O-N 2.99Å; Q81-V84 PolarHBondContact O-N 3.46Å; I82-V84 VanDerWaalsContact C-N 3.29Å; I82-V84 PolarHBondContact O-N 3.19Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 3.42Å; V84-F88 HydrophobicContact CG1-CD2 4.15Å; V84-F88 WeakPolarHBondContact O-CD2 3.11Å; V84-F88 PolarHBondContact O-N 3.43Å
85R93.8Very high92.3Very high174 Ų17496.2 Ų96.266%0.65750%0.496SS*.Hα-helixtrans-68.7-28174.9-169.9176.5-176.7-177.92.5113.6Q81 I82 P83 E90Q81-R85 PolarHBondContact O-N 3.15Å; I82-R85 WeakPolarHBondContact O-CA 3.35Å; I82-R85 WeakPolarHBondContact O-CB 3.49Å; I82-R85 PolarHBondContact O-N 3.12Å; P83-R85 VanDerWaalsContact C-N 3.26Å; P83-R85 PolarHBondContact O-N 2.76Å; R85-E90 IonicContact CZ-OE1 3.79Å; R85-E90 IonicContact NE-OE1 2.8Å; R85-E90 PolarHBondContact NE-OE1 2.8Å; R85-E90 IonicContact NH2-OE1 3.93Å; R85-E90 PolarHBondContact NH2-OE1 3.46Å; R85-E90 IonicContact NH2-OE2 3.99Å
86L92.4Very high92.3Very high106 Ų10697 Ų9756%0.55550%0.5SS*.Hα-helixtrans-80.2-38177.5-69.2171.3000112.8E62 I82 P83 V84E62-L86 HydrophobicContact CG-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CD1 3.91Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 2.97Å; P83-L86 PolarHBondContact O-N 3.1Å; P83-L86 VanDerWaalsContact O-N 3.08Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 3.42Å
87C91.6Very high92.2Very high58 Ų58101.9 Ų101.939%0.39252%0.517SS..Hα-helixtrans-81.3-24.5-174.8-68.20000113.4P83P83-C87 VanDerWaalsContact O-CB 3.32Å; P83-C87 WeakPolarHBondContact O-CB 3.39Å; P83-C87 PolarHBondContact O-N 3.22Å; P83-C87 PolarHBondContact O-SG 3.47Å
88F91.6Very high92Very high91 Ų91104.1 Ų104.140%0.39951%0.513SS..SBendtrans-117.8135.5-179-61.3-77.7000110.6I59 V84I59-F88 HydrophobicContact CD1-CE2 4.03Å; I59-F88 HydrophobicContact CG1-CE2 4.33Å; V84-F88 HydrophobicContact CG1-CD2 4.15Å; V84-F88 WeakPolarHBondContact O-CD2 3.11Å; V84-F88 PolarHBondContact O-N 3.43Å
89P92.5Very high91.9Very high117 Ų11798.8 Ų98.876%0.7650%0.502SS*.  trans-63.9147.517528.7-34.2000110.4
90E85.9Confident91.7Very high134 Ų134105.2 Ų105.263%0.62654%0.535SS*.  trans-69.5137.2167.6-63.1-176.8-179.400108.7R85R85-E90 IonicContact CZ-OE1 3.79Å; R85-E90 IonicContact NE-OE1 2.8Å; R85-E90 PolarHBondContact NE-OE1 2.8Å; R85-E90 IonicContact NH2-OE1 3.93Å; R85-E90 PolarHBondContact NH2-OE1 3.46Å; R85-E90 IonicContact NH2-OE2 3.99Å
91N76.8Confident91.4Very high237 Ų237107.9 Ų107.9100%1.26755%0.549SS*.  trans-67.20176.3-66.7-40.8000112

Retrieved 91 of 91 residues in 68.4 ms (Link to these results)