A0A044U5D0_ONCVO Loading...

Regulator of microtubule dynamics protein 1

AlphaFold DB , UniProt , Accession A0A044U5D0, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 129 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
1M41.4Very low71.8Confident231 Ų231125.8 Ų125.8100%1.13865%0.646SS**  01200-65.7-117.1-131.500107T3M1-T3 PolarHBondContact O-N 3.05Å
2A49.6Very low72.3Confident107 Ų107116.5 Ų116.588%0.88460%0.602SS**  trans-76.2103.7173.200000107.8
3T70Confident72.9Confident124 Ų124112 Ų11276%0.76158%0.583SS**  trans-95.8106.517250.80000107.5M1M1-T3 PolarHBondContact O-N 3.05Å
4L68.6Low73.5Confident83 Ų83114 Ų11444%0.43559%0.594SS.*  trans-67.9133.9167.7-67.7168.5000108.3E8 K9L4-E8 WeakPolarHBondContact CA-OE2 3.48Å; L4-E8 HydrophobicContact CB-CB 3.95Å; L4-E8 HydrophobicContact CD2-CB 3.81Å; L4-E8 HydrophobicContact CD2-CG 4.4Å; L4-E8 HydrophobicContact CG-CB 4.38Å; L4-K9 HydrophobicContact CB-CG 3.9Å; L4-K9 WeakPolarHBondContact O-CE 3.49Å
5S82.7Confident74.2Confident53 Ų53110.1 Ų110.137%0.37159%0.586SS.*  trans-57.9157.3166.761.10000110.3E7 E8 K9S5-E7 PolarHBondContact O-N 3.18Å; S5-E8 WeakPolarHBondContact CB-OE2 3.48Å; S5-E8 PolarHBondContact N-OE2 3.22Å; S5-E8 PolarHBondContact O-N 3.39Å; S5-E8 VanDerWaalsContact OG-CG 3.27Å; S5-E8 WeakPolarHBondContact OG-CG 3.23Å; S5-E8 PolarHBondContact OG-N 2.85Å; S5-E8 PolarHBondContact OG-OE2 2.81Å; S5-K9 WeakPolarHBondContact O-CG 3.35Å; S5-K9 PolarHBondContact O-N 3.42Å
6E77.8Confident74.6Confident137 Ų137113.9 Ų113.964%0.6460%0.596SS**Hα-helixtrans-57.4-32.4179.2-64.1-58.6131.300111.9K9 E10E6-K9 PolarHBondContact O-N 3.26Å; E6-K9 IonicContact OE1-NZ 2.68Å; E6-K9 PolarHBondContact OE1-NZ 3.49Å; E6-K9 IonicContact OE2-NZ 2.94Å; E6-E10 PolarHBondContact O-N 3.26Å
7E82.1Confident74.7Confident158 Ų158110.6 Ų110.674%0.73860%0.596SS**Hα-helixtrans-65-44.8174.3-62.9178.7-173.400112.2S5 K9 E10 Y11S5-E7 PolarHBondContact O-N 3.18Å; E7-K9 VanDerWaalsContact C-N 3.32Å; E7-K9 PolarHBondContact O-N 2.76Å; E7-E10 PolarHBondContact O-N 2.91Å; E7-Y11 PolarHBondContact O-N 2.86Å
8E80Confident74.6Confident97 Ų97109.3 Ų109.345%0.45360%0.597SS.*Hα-helixtrans-68.7-33.1177.2-69.9165.6130.700111.8L4 S5 Y11 A12L4-E8 WeakPolarHBondContact CA-OE2 3.48Å; L4-E8 HydrophobicContact CB-CB 3.95Å; L4-E8 HydrophobicContact CD2-CB 3.81Å; L4-E8 HydrophobicContact CD2-CG 4.4Å; L4-E8 HydrophobicContact CG-CB 4.38Å; S5-E8 WeakPolarHBondContact CB-OE2 3.48Å; S5-E8 PolarHBondContact N-OE2 3.22Å; S5-E8 PolarHBondContact O-N 3.39Å; S5-E8 VanDerWaalsContact OG-CG 3.27Å; S5-E8 WeakPolarHBondContact OG-CG 3.23Å; S5-E8 PolarHBondContact OG-N 2.85Å; S5-E8 PolarHBondContact OG-OE2 2.81Å; E8-Y11 PolarHBondContact O-N 3.39Å; E8-A12 WeakPolarHBondContact O-CB 3.04Å; E8-A12 PolarHBondContact O-N 3.07Å
9K76.1Confident74.3Confident73 Ų73107.5 Ų107.532%0.31759%0.586SS.*Hα-helixtrans-63.4-43.1171.8-70.8179.1-171.1167.80110.8L4 S5 E6 E7 A12 V13 L19L4-K9 HydrophobicContact CB-CG 3.9Å; L4-K9 WeakPolarHBondContact O-CE 3.49Å; S5-K9 WeakPolarHBondContact O-CG 3.35Å; S5-K9 PolarHBondContact O-N 3.42Å; E6-K9 PolarHBondContact O-N 3.26Å; E6-K9 IonicContact OE1-NZ 2.68Å; E6-K9 PolarHBondContact OE1-NZ 3.49Å; E6-K9 IonicContact OE2-NZ 2.94Å; E7-K9 VanDerWaalsContact C-N 3.32Å; E7-K9 PolarHBondContact O-N 2.76Å; K9-A12 PolarHBondContact O-N 2.98Å; K9-V13 WeakPolarHBondContact O-CB 3.27Å; K9-V13 WeakPolarHBondContact O-CG2 3.21Å; K9-V13 PolarHBondContact O-N 3.37Å; K9-L19 HydrophobicContact CB-CD1 4.33Å; K9-L19 HydrophobicContact CG-CD1 4.48Å
10E79.3Confident74.1Confident146 Ų146107.9 Ų107.968%0.68259%0.594SS**Hα-helixtrans-60.9-45.7176.6-173.8175-177.300111.2E6 E7 A12 V13 D14E6-E10 PolarHBondContact O-N 3.26Å; E7-E10 PolarHBondContact O-N 2.91Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 3.47Å; E10-V13 PolarHBondContact O-N 2.71Å; E10-D14 WeakPolarHBondContact O-CB 3.48Å; E10-D14 PolarHBondContact O-N 2.78Å
11Y81.8Confident74.3Confident175 Ų175108.5 Ų108.569%0.68660%0.601SS**Hα-helixtrans-62.7-39.3175.3-173.4-97.4000112.6E7 E8 D14 A15E7-Y11 PolarHBondContact O-N 2.86Å; E8-Y11 PolarHBondContact O-N 3.39Å; Y11-D14 PolarHBondContact O-N 2.93Å; Y11-A15 VanDerWaalsContact O-CB 3.23Å; Y11-A15 WeakPolarHBondContact O-CB 3.3Å; Y11-A15 PolarHBondContact O-N 3.07Å
12A78.1Confident76.1Confident14 Ų14101.4 Ų101.412%0.11658%0.579CS.*Hα-helixtrans-67.2-38.4175.300000112.2E8 K9 E10 F16 L19E8-A12 WeakPolarHBondContact O-CB 3.04Å; E8-A12 PolarHBondContact O-N 3.07Å; K9-A12 PolarHBondContact O-N 2.98Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 3.47Å; A12-F16 HydrophobicContact CB-CD2 4.36Å; A12-F16 WeakPolarHBondContact O-CB 3.35Å; A12-F16 VanDerWaalsContact O-CD2 3.3Å; A12-F16 WeakPolarHBondContact O-CD2 3.36Å; A12-F16 PolarHBondContact O-N 2.89Å; A12-L19 HydrophobicContact CB-CD2 4.15Å
13V80.5Confident78Confident58 Ų5899.4 Ų99.435%0.35256%0.556SS.*Hα-helixtrans-63.7-43.6173.4172.10000110.2K9 E10 G17 L19K9-V13 WeakPolarHBondContact O-CB 3.27Å; K9-V13 WeakPolarHBondContact O-CG2 3.21Å; K9-V13 PolarHBondContact O-N 3.37Å; E10-V13 PolarHBondContact O-N 2.71Å; V13-G17 CarbonylContact O-C 3.17Å; V13-G17 WeakPolarHBondContact O-CA 3.46Å; V13-G17 PolarHBondContact O-N 2.78Å; V13-L19 HydrophobicContact CG2-CD1 3.81Å; V13-L19 HydrophobicContact CG2-CD2 4.38Å; V13-L19 HydrophobicContact CG2-CG 3.59Å
14D81.5Confident79Confident140 Ų14097 Ų9775%0.74954%0.538SS*.Hα-helixtrans-65.1-44.3177.7-170.359.2000111.7E10 Y11E10-D14 WeakPolarHBondContact O-CB 3.48Å; E10-D14 PolarHBondContact O-N 2.78Å; Y11-D14 PolarHBondContact O-N 2.93Å
15A83Confident80Confident56 Ų5697.4 Ų97.446%0.46354%0.54SS..Hα-helixtrans-71.6-38.5-178.600000113.9Y11Y11-A15 VanDerWaalsContact O-CB 3.23Å; Y11-A15 WeakPolarHBondContact O-CB 3.3Å; Y11-A15 PolarHBondContact O-N 3.07Å
16F80.2Confident80.4Confident171 Ų17199.6 Ų99.675%0.7555%0.545SS*.Hα-helixtrans-110.31.3-174.1-58.8-70.8000113.8A12 S18A12-F16 HydrophobicContact CB-CD2 4.36Å; A12-F16 WeakPolarHBondContact O-CB 3.35Å; A12-F16 VanDerWaalsContact O-CD2 3.3Å; A12-F16 WeakPolarHBondContact O-CD2 3.36Å; A12-F16 PolarHBondContact O-N 2.89Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 3.22Å; F16-S18 VanDerWaalsContact O-N 3.07Å
17G76.9Confident81.1Confident58 Ų5894.4 Ų94.460%0.59853%0.525SS*.SBendtrans81.5-52.8179.100000114.2V13V13-G17 CarbonylContact O-C 3.17Å; V13-G17 WeakPolarHBondContact O-CA 3.46Å; V13-G17 PolarHBondContact O-N 2.78Å
18S72.7Confident81.7Confident87 Ų8787.5 Ų87.561%0.60849%0.493SS*.SBendtrans-145.7136.9178.760.80000110.6F16F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 3.22Å; F16-S18 VanDerWaalsContact O-N 3.07Å
19L70.1Confident82.3Confident74 Ų7488 Ų8839%0.38750%0.495SS..  trans-60.3142.7170.3-70.6168.6000109.6K9 A12 V13 T21K9-L19 HydrophobicContact CB-CD1 4.33Å; K9-L19 HydrophobicContact CG-CD1 4.48Å; A12-L19 HydrophobicContact CB-CD2 4.15Å; V13-L19 HydrophobicContact CG2-CD1 3.81Å; V13-L19 HydrophobicContact CG2-CD2 4.38Å; V13-L19 HydrophobicContact CG2-CG 3.59Å; L19-T21 PolarHBondContact O-N 3.09Å; L19-T21 VanDerWaalsContact O-N 3.09Å
20P69.4Low83.1Confident116 Ų11689.1 Ų89.175%0.75351%0.505SS*.  trans-58.8119.9176.324.2-32.3000109.1A22P20-A22 PolarHBondContact O-N 3.36Å; P20-A22 VanDerWaalsContact O-N 3.11Å
21T78.5Confident83.8Confident120 Ų12084.7 Ų84.774%0.73648%0.483SS*.  trans-80.723.4177.757.50000112.3L19 T23L19-T21 PolarHBondContact O-N 3.09Å; L19-T21 VanDerWaalsContact O-N 3.09Å; T21-T23 WeakPolarHBondContact O-CG2 3.43Å; T21-T23 PolarHBondContact O-N 3.11Å; T21-T23 VanDerWaalsContact O-N 3.11Å
22A79Confident84.4Confident82 Ų8279.2 Ų79.268%0.67846%0.464SS*.  trans-62.2116.7-172.800000109.9P20 E26P20-A22 PolarHBondContact O-N 3.36Å; P20-A22 VanDerWaalsContact O-N 3.11Å; A22-E26 WeakPolarHBondContact CA-OE2 3.49Å
23T89.2Confident85.2Confident65 Ų6583.3 Ų83.340%0.39948%0.479SS..  trans-91.2157.418064.30000111.1T21 D25 E26 A27T21-T23 WeakPolarHBondContact O-CG2 3.43Å; T21-T23 PolarHBondContact O-N 3.11Å; T21-T23 VanDerWaalsContact O-N 3.11Å; T23-D25 PolarHBondContact O-N 3.13Å; T23-E26 PolarHBondContact N-OE2 3.4Å; T23-E26 PolarHBondContact O-N 3.38Å; T23-E26 VanDerWaalsContact OG1-CG 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.43Å; T23-E26 PolarHBondContact OG1-N 3.42Å; T23-E26 VanDerWaalsContact OG1-N 3.13Å; T23-E26 PolarHBondContact OG1-OE2 3.27Å; T23-A27 PolarHBondContact O-N 3.39Å
24I90.5Very high85.9Confident74 Ų7482.3 Ų82.338%0.37948%0.477SS..Hα-helixtrans-61.2-30.6172.7-56.9-60.6000111A27 L28 C51 A54 K55I24-A27 WeakPolarHBondContact O-CB 3.5Å; I24-A27 PolarHBondContact O-N 2.77Å; I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 3Å; I24-C51 HydrophobicContact CG2-CB 3.93Å; I24-A54 HydrophobicContact CD1-CB 4.27Å; I24-A54 HydrophobicContact CG1-CB 4.4Å; I24-A54 HydrophobicContact CG2-CB 4.42Å; I24-K55 HydrophobicContact CG2-CD 4.24Å; I24-K55 HydrophobicContact CG2-CG 3.76Å
25D90.9Very high86.4Confident92 Ų9277.5 Ų77.549%0.49245%0.45SS..Hα-helixtrans-67.4-42.9176.3-69.6-52.5000112.6T23 A27 L28 H29 K55T23-D25 PolarHBondContact O-N 3.13Å; D25-A27 VanDerWaalsContact C-N 3.32Å; D25-L28 PolarHBondContact O-N 3.11Å; D25-H29 PolarHBondContact O-N 3.36Å; D25-K55 IonicContact OD1-NZ 3.94Å; D25-K55 PolarHBondContact OD1-NZ 3.22Å
26E90.7Very high86.9Confident98 Ų9882.5 Ų82.546%0.45846%0.464SS..Hα-helixtrans-63.9-39.7172.2-73.6169.7156.300111.4A22 T23 H29 N30A22-E26 WeakPolarHBondContact CA-OE2 3.49Å; T23-E26 PolarHBondContact N-OE2 3.4Å; T23-E26 PolarHBondContact O-N 3.38Å; T23-E26 VanDerWaalsContact OG1-CG 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.43Å; T23-E26 PolarHBondContact OG1-N 3.42Å; T23-E26 VanDerWaalsContact OG1-N 3.13Å; T23-E26 PolarHBondContact OG1-OE2 3.27Å; E26-H29 PolarHBondContact O-N 3.41Å; E26-N30 PolarHBondContact O-N 2.83Å; E26-N30 PolarHBondContact O-ND2 3.34Å
27A92.3Very high87.6Confident28 Ų2881.7 Ų81.723%0.23147%0.467CS..Hα-helixtrans-59.9-49.4175.400000111T23 I24 D25 H29 N30 F31T23-A27 PolarHBondContact O-N 3.39Å; I24-A27 WeakPolarHBondContact O-CB 3.5Å; I24-A27 PolarHBondContact O-N 2.77Å; D25-A27 VanDerWaalsContact C-N 3.32Å; A27-H29 VanDerWaalsContact C-N 3.34Å; A27-H29 PolarHBondContact O-N 3.25Å; A27-N30 PolarHBondContact O-N 3.33Å; A27-F31 HydrophobicContact CB-CD2 4.28Å; A27-F31 HydrophobicContact CB-CE2 3.98Å; A27-F31 WeakPolarHBondContact O-CD2 3.49Å; A27-F31 WeakPolarHBondContact O-CG 3.42Å; A27-F31 PolarHBondContact O-N 3.25Å
28L94.1Very high88.2Confident13 Ų1383.4 Ų83.47%0.06846%0.462CS..Hα-helixtrans-55.8-47.6175.2-78.4171.8000111.9I24 D25 N30 F31 H32 L48 C51 Y52 K55I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 3Å; D25-L28 PolarHBondContact O-N 3.11Å; L28-N30 VanDerWaalsContact C-N 3.31Å; L28-N30 PolarHBondContact O-N 2.8Å; L28-F31 PolarHBondContact O-N 3Å; L28-H32 WeakPolarHBondContact O-CB 2.98Å; L28-H32 PolarHBondContact O-CD2 3.37Å; L28-H32 PolarHBondContact O-N 2.99Å; L28-L48 HydrophobicContact CD2-CD2 3.97Å; L28-C51 HydrophobicContact CD1-CB 4.46Å; L28-C51 HydrophobicContact CD2-CB 3.39Å; L28-C51 HydrophobicContact CG-CB 3.67Å; L28-Y52 HydrophobicContact CD1-CE1 4.36Å; L28-Y52 HydrophobicContact CD2-CD2 4Å; L28-Y52 HydrophobicContact CD2-CE1 4.34Å; L28-Y52 HydrophobicContact CD2-CE2 3.68Å; L28-Y52 HydrophobicContact CD2-CG 4.41Å; L28-K55 HydrophobicContact CD1-CD 3.51Å; L28-K55 HydrophobicContact CD1-CG 4.48Å
29H93.3Very high89Confident107 Ų10783.7 Ų83.750%0.49546%0.462SS..Hα-helixtrans-57.9-43.1178.4-179.270.5000112.5D25 E26 A27 K33D25-H29 PolarHBondContact O-N 3.36Å; E26-H29 PolarHBondContact O-N 3.41Å; A27-H29 VanDerWaalsContact C-N 3.34Å; A27-H29 PolarHBondContact O-N 3.25Å; H29-K33 VanDerWaalsContact NE2-CE 3.32Å; H29-K33 WeakPolarHBondContact NE2-CE 3.48Å; H29-K33 PolarHBondContact NE2-NZ 3.4Å; H29-K33 WeakPolarHBondContact O-CG 3.44Å; H29-K33 PolarHBondContact O-N 3.27Å; H29-K33 VanDerWaalsContact O-N 3.17Å
30N93.2Very high89.9Confident97 Ų9781.9 Ų81.952%0.51946%0.461SS..Hα-helixtrans-69.1-41.3178.2-73.1-60.4000112.3E26 A27 L28 K33 A34E26-N30 PolarHBondContact O-N 2.83Å; E26-N30 PolarHBondContact O-ND2 3.34Å; A27-N30 PolarHBondContact O-N 3.33Å; L28-N30 VanDerWaalsContact C-N 3.31Å; L28-N30 PolarHBondContact O-N 2.8Å; N30-K33 PolarHBondContact O-N 2.99Å; N30-A34 PolarHBondContact O-N 3.02Å
31F95Very high90.9Very high53 Ų5380.2 Ų80.223%0.23244%0.443CS..Hα-helixtrans-69.7-33177.9-67.5-54.6000112.9A27 L28 A34 E35 N44 H47 L48A27-F31 HydrophobicContact CB-CD2 4.28Å; A27-F31 HydrophobicContact CB-CE2 3.98Å; A27-F31 WeakPolarHBondContact O-CD2 3.49Å; A27-F31 WeakPolarHBondContact O-CG 3.42Å; A27-F31 PolarHBondContact O-N 3.25Å; L28-F31 PolarHBondContact O-N 3Å; F31-A34 PolarHBondContact O-N 3.16Å; F31-E35 PolarHBondContact O-N 2.97Å; F31-N44 WeakPolarHBondContact CD1-OD1 3.5Å; F31-N44 PolarHBondContact O-ND2 3.4Å; F31-N44 PolarHBondContact O-OD1 2.61Å; F31-H47 HydrophobicContact CD1-CB 3.93Å; F31-H47 HydrophobicContact CD2-CB 4.03Å; F31-H47 HydrophobicContact CE1-CB 3.59Å; F31-H47 AromaticContact CE1-CG 3.88Å; F31-H47 HydrophobicContact CE2-CB 3.72Å; F31-H47 HydrophobicContact CG-CB 4.16Å; F31-H47 HydrophobicContact CZ-CB 3.49Å; F31-H47 VanDerWaalsContact CZ-CB 3.49Å; F31-H47 AromaticContact CZ-CD2 3.8Å; F31-H47 AromaticContact CZ-CG 3.76Å; F31-L48 HydrophobicContact CB-CD2 3.54Å; F31-L48 HydrophobicContact CB-CG 3.75Å
32H94.4Very high91.6Very high60 Ų6074.8 Ų74.828%0.27841%0.409SS..Hα-helixtrans-63.8-43.5171.2-77.9-57.9000111.5L28 A34 E35 E36 Y52 Y64L28-H32 WeakPolarHBondContact O-CB 2.98Å; L28-H32 PolarHBondContact O-CD2 3.37Å; L28-H32 PolarHBondContact O-N 2.99Å; H32-A34 VanDerWaalsContact C-N 3.31Å; H32-A34 PolarHBondContact O-N 3.26Å; H32-E35 WeakPolarHBondContact O-CB 3.3Å; H32-E35 PolarHBondContact O-N 3.04Å; H32-E35 VanDerWaalsContact O-N 3.17Å; H32-E36 PolarHBondContact O-N 3.29Å; H32-Y52 PolarHBondContact CE1-OH 3.39Å; H32-Y52 AromaticContact NE2-CZ 4Å; H32-Y52 PolarHBondContact NE2-OH 2.92Å; H32-Y64 PolarHBondContact CE1-OH 2.92Å
33K94.3Very high92.2Very high100 Ų10073.4 Ų73.444%0.43539%0.391SS..Hα-helixtrans-62.2-37.8172.3-74.2-178.5173.4-176.20112.7H29 N30 E35 E36 L37H29-K33 VanDerWaalsContact NE2-CE 3.32Å; H29-K33 WeakPolarHBondContact NE2-CE 3.48Å; H29-K33 PolarHBondContact NE2-NZ 3.4Å; H29-K33 WeakPolarHBondContact O-CG 3.44Å; H29-K33 PolarHBondContact O-N 3.27Å; H29-K33 VanDerWaalsContact O-N 3.17Å; N30-K33 PolarHBondContact O-N 2.99Å; K33-E35 VanDerWaalsContact C-N 3.3Å; K33-E36 PolarHBondContact O-N 3.37Å; K33-L37 WeakPolarHBondContact O-CG 3.49Å; K33-L37 PolarHBondContact O-N 2.91Å
34A93.9Very high92.5Very high37 Ų3770.9 Ų70.931%0.30637%0.374SS..Hα-helixtrans-64.9-36.6175.200000111.5N30 F31 H32 L37 N38 N44N30-A34 PolarHBondContact O-N 3.02Å; F31-A34 PolarHBondContact O-N 3.16Å; H32-A34 VanDerWaalsContact C-N 3.31Å; H32-A34 PolarHBondContact O-N 3.26Å; A34-L37 PolarHBondContact O-N 3.21Å; A34-N38 PolarHBondContact O-N 3.4Å; A34-N44 WeakPolarHBondContact CB-OD1 3.49Å
35E92.6Very high92.7Very high39 Ų3967.7 Ų67.718%0.18236%0.358CS..Hα-helixtrans-65.2-38.3174.1-166.660.1-160.600111.9F31 H32 K33 L37 N38 P39 G40 N44 L48F31-E35 PolarHBondContact O-N 2.97Å; H32-E35 WeakPolarHBondContact O-CB 3.3Å; H32-E35 PolarHBondContact O-N 3.04Å; H32-E35 VanDerWaalsContact O-N 3.17Å; K33-E35 VanDerWaalsContact C-N 3.3Å; E35-L37 VanDerWaalsContact C-N 3.26Å; E35-L37 PolarHBondContact O-N 2.92Å; E35-N38 CarbonylContact O-C 3.47Å; E35-P39 VanDerWaalsContact O-CA 3.28Å; E35-P39 WeakPolarHBondContact O-CA 3.44Å; E35-P39 WeakPolarHBondContact O-CD 3.32Å; E35-P39 VanDerWaalsContact O-N 3.13Å; E35-P39 VanDerWaalsContact OE1-CA 3.29Å; E35-P39 WeakPolarHBondContact OE1-CA 3.48Å; E35-G40 PolarHBondContact OE1-N 2.92Å; E35-N44 WeakPolarHBondContact CA-ND2 3.48Å; E35-N44 VanDerWaalsContact CB-ND2 3.33Å; E35-N44 WeakPolarHBondContact CB-ND2 3.47Å; E35-N44 PolarHBondContact N-ND2 3.35Å; E35-N44 PolarHBondContact OE2-ND2 3.35Å; E35-L48 HydrophobicContact CB-CD1 4.49Å
36E94Very high92.9Very high162 Ų16263.4 Ų63.476%0.75734%0.335SS*.Hα-helixtrans-63.1-33.3174.2-69.9176.3-178.600112.4H32 K33H32-E36 PolarHBondContact O-N 3.29Å; K33-E36 PolarHBondContact O-N 3.37Å
37L93.7Very high93Very high154 Ų15462.3 Ų62.381%0.80633%0.33SS*.Hα-helixtrans-82-39.1-179.5-67.8174.1000112.9K33 A34 E35K33-L37 WeakPolarHBondContact O-CG 3.49Å; K33-L37 PolarHBondContact O-N 2.91Å; A34-L37 PolarHBondContact O-N 3.21Å; E35-L37 VanDerWaalsContact C-N 3.26Å; E35-L37 PolarHBondContact O-N 2.92Å
38N90.2Very high93.2Very high93 Ų9361 Ų6150%0.49732%0.319SS..SBendtrans-142.183179.4-172.925.5000110.8A34 E35A34-N38 PolarHBondContact O-N 3.4Å; E35-N38 CarbonylContact O-C 3.47Å
39P90.2Very high93.2Very high94 Ų9460.3 Ų60.361%0.6132%0.316SS*.THydrogen-bonded Turntrans-67.9141-176.426.5-33.9000111.5E35E35-P39 VanDerWaalsContact O-CA 3.28Å; E35-P39 WeakPolarHBondContact O-CA 3.44Å; E35-P39 WeakPolarHBondContact O-CD 3.32Å; E35-P39 VanDerWaalsContact O-N 3.13Å; E35-P39 VanDerWaalsContact OE1-CA 3.29Å; E35-P39 WeakPolarHBondContact OE1-CA 3.48Å
40G87.8Confident93.2Very high35 Ų3558.4 Ų58.436%0.36131%0.306SS..THydrogen-bonded Turntrans79.320.4177.900000114.7E35 I71E35-G40 PolarHBondContact OE1-N 2.92Å; G40-I71 WeakPolarHBondContact O-CD1 3Å
41H91.7Very high93.3Very high81 Ų8154.3 Ų54.338%0.37529%0.285SS..  trans-77.2121.2170.2-169.1-119000110.2D43 N44 L45H41-D43 VanDerWaalsContact C-N 3.34Å; H41-D43 VanDerWaalsContact CE1-CG 3.49Å; H41-D43 IonicContact CE1-OD1 2.61Å; H41-D43 IonicContact CE1-OD2 3.97Å; H41-D43 PolarHBondContact O-N 2.91Å; H41-N44 HydrophobicContact CB-CB 4.11Å; H41-N44 PolarHBondContact O-N 2.89Å; H41-L45 PolarHBondContact O-N 2.95Å; H41-L45 VanDerWaalsContact O-N 3.09Å
42I92.6Very high93.3Very high6 Ų653.4 Ų53.43%0.03128%0.28CS..Hα-helixtrans-54.6-48.5-173.9-66.9174.5000111.2N44 L45 L46 V68 I71 D78 Q81I42-N44 VanDerWaalsContact C-N 3.26Å; I42-N44 PolarHBondContact O-N 3.15Å; I42-L45 PolarHBondContact O-N 3.36Å; I42-L46 WeakPolarHBondContact O-CB 3.32Å; I42-L46 PolarHBondContact O-N 3.5Å; I42-V68 HydrophobicContact CG2-CG1 3.76Å; I42-I71 HydrophobicContact CD1-CB 4.1Å; I42-I71 HydrophobicContact CD1-CG2 3.68Å; I42-I71 HydrophobicContact CG1-CB 3.95Å; I42-I71 HydrophobicContact CG1-CD1 3.71Å; I42-I71 HydrophobicContact CG1-CG1 4.45Å; I42-I71 HydrophobicContact CG1-CG2 3.72Å; I42-D78 HydrophobicContact CD1-CB 3.74Å; I42-Q81 HydrophobicContact CG2-CB 3.72Å; I42-Q81 HydrophobicContact CG2-CG 4.42Å
43D92.5Very high93.2Very high54 Ų5453 Ų5329%0.28928%0.279SS..Hα-helixtrans-53.7-46.9177.7-60.812.6000111H41 L46 H47 Q81H41-D43 VanDerWaalsContact C-N 3.34Å; H41-D43 VanDerWaalsContact CE1-CG 3.49Å; H41-D43 IonicContact CE1-OD1 2.61Å; H41-D43 IonicContact CE1-OD2 3.97Å; H41-D43 PolarHBondContact O-N 2.91Å; D43-L46 PolarHBondContact O-N 3.25Å; D43-H47 PolarHBondContact O-N 2.96Å; D43-H47 PolarHBondContact O-ND1 3.36Å; D43-Q81 VanDerWaalsContact CG-NE2 3.34Å; D43-Q81 VanDerWaalsContact OD1-CD 3.28Å; D43-Q81 PolarHBondContact OD1-NE2 3.26Å; D43-Q81 PolarHBondContact OD1-OE1 3.22Å; D43-Q81 VanDerWaalsContact OD1-OE1 3.11Å
44N94.3Very high93.1Very high11 Ų1151.5 Ų51.56%0.05929%0.286CS..Hα-helixtrans-66.7-47.1-172.5-17059.5000111F31 A34 E35 H41 I42 L46 H47 L48F31-N44 WeakPolarHBondContact CD1-OD1 3.5Å; F31-N44 PolarHBondContact O-ND2 3.4Å; F31-N44 PolarHBondContact O-OD1 2.61Å; A34-N44 WeakPolarHBondContact CB-OD1 3.49Å; E35-N44 WeakPolarHBondContact CA-ND2 3.48Å; E35-N44 VanDerWaalsContact CB-ND2 3.33Å; E35-N44 WeakPolarHBondContact CB-ND2 3.47Å; E35-N44 PolarHBondContact N-ND2 3.35Å; E35-N44 PolarHBondContact OE2-ND2 3.35Å; H41-N44 HydrophobicContact CB-CB 4.11Å; H41-N44 PolarHBondContact O-N 2.89Å; I42-N44 VanDerWaalsContact C-N 3.26Å; I42-N44 PolarHBondContact O-N 3.15Å; N44-L46 VanDerWaalsContact C-N 3.3Å; N44-L46 PolarHBondContact O-N 2.94Å; N44-H47 PolarHBondContact O-N 2.68Å; N44-L48 PolarHBondContact O-N 2.93Å
45L94.5Very high92.9Very high8 Ų854.9 Ų54.94%0.04229%0.294CS..Hα-helixtrans-60.2-40.5176.2-65.5174.7000111.8H41 I42 L48 A49 Y64 V68 I71H41-L45 PolarHBondContact O-N 2.95Å; H41-L45 VanDerWaalsContact O-N 3.09Å; I42-L45 PolarHBondContact O-N 3.36Å; L45-L48 PolarHBondContact O-N 3.47Å; L45-A49 WeakPolarHBondContact O-CB 3.43Å; L45-A49 PolarHBondContact O-N 3.2Å; L45-Y64 HydrophobicContact CD2-CD1 3.85Å; L45-Y64 HydrophobicContact CD2-CE1 4.42Å; L45-V68 HydrophobicContact CB-CG2 3.46Å; L45-V68 VanDerWaalsContact CB-CG2 3.46Å; L45-V68 HydrophobicContact CD1-CG2 4.14Å; L45-V68 HydrophobicContact CG-CG2 4.49Å; L45-I71 HydrophobicContact CD1-CD1 3.54Å
46L94.7Very high92.8Very high1 Ų155.7 Ų55.71%0.00531%0.312CS..Hα-helixtrans-66.1-39.3177.6-174.661.1000112I42 D43 N44 A49 K50 L65 Q81 E84 L88I42-L46 WeakPolarHBondContact O-CB 3.32Å; I42-L46 PolarHBondContact O-N 3.5Å; D43-L46 PolarHBondContact O-N 3.25Å; N44-L46 VanDerWaalsContact C-N 3.3Å; N44-L46 PolarHBondContact O-N 2.94Å; L46-A49 WeakPolarHBondContact O-CB 3.36Å; L46-A49 PolarHBondContact O-N 3.13Å; L46-K50 HydrophobicContact CG-CD 4.39Å; L46-K50 WeakPolarHBondContact O-CB 3.33Å; L46-K50 VanDerWaalsContact O-CG 3.3Å; L46-K50 WeakPolarHBondContact O-CG 3.46Å; L46-K50 PolarHBondContact O-N 3.36Å; L46-L65 HydrophobicContact CD1-CD2 3.93Å; L46-Q81 HydrophobicContact CD2-CB 3.98Å; L46-Q81 HydrophobicContact CD2-CG 3.91Å; L46-E84 WeakPolarHBondContact CD2-OE2 3.4Å; L46-L88 HydrophobicContact CD1-CD1 3.84Å
47H94.4Very high92.7Very high75 Ų7551.1 Ų51.135%0.34729%0.293SS..Hα-helixtrans-69.5-38.9175.3-73.991.5000112.4F31 D43 N44 A49 K50 C51F31-H47 HydrophobicContact CD1-CB 3.93Å; F31-H47 HydrophobicContact CD2-CB 4.03Å; F31-H47 HydrophobicContact CE1-CB 3.59Å; F31-H47 AromaticContact CE1-CG 3.88Å; F31-H47 HydrophobicContact CE2-CB 3.72Å; F31-H47 HydrophobicContact CG-CB 4.16Å; F31-H47 HydrophobicContact CZ-CB 3.49Å; F31-H47 VanDerWaalsContact CZ-CB 3.49Å; F31-H47 AromaticContact CZ-CD2 3.8Å; F31-H47 AromaticContact CZ-CG 3.76Å; D43-H47 PolarHBondContact O-N 2.96Å; D43-H47 PolarHBondContact O-ND1 3.36Å; N44-H47 PolarHBondContact O-N 2.68Å; H47-A49 VanDerWaalsContact C-N 3.34Å; H47-K50 PolarHBondContact O-N 3.02Å; H47-C51 WeakPolarHBondContact O-CB 3.34Å; H47-C51 PolarHBondContact O-N 3.2Å; H47-C51 PolarHBondContact O-SG 3.37Å
48L95.5Very high92.6Very high0 Ų045.3 Ų45.30%026%0.262CS..Hα-helixtrans-56.4-50.7170.3-78168.8000110.2L28 F31 E35 N44 L45 K50 C51 Y52 Y64L28-L48 HydrophobicContact CD2-CD2 3.97Å; F31-L48 HydrophobicContact CB-CD2 3.54Å; F31-L48 HydrophobicContact CB-CG 3.75Å; E35-L48 HydrophobicContact CB-CD1 4.49Å; N44-L48 PolarHBondContact O-N 2.93Å; L45-L48 PolarHBondContact O-N 3.47Å; L48-K50 PolarHBondContact O-N 3.47Å; L48-C51 WeakPolarHBondContact O-CB 3.33Å; L48-C51 PolarHBondContact O-N 3.06Å; L48-Y52 HydrophobicContact CD2-CE2 4.48Å; L48-Y52 WeakPolarHBondContact O-CD2 3.39Å; L48-Y52 PolarHBondContact O-N 3.19Å; L48-Y64 HydrophobicContact CB-CD1 4.01Å; L48-Y64 HydrophobicContact CB-CD2 4.33Å; L48-Y64 HydrophobicContact CB-CE1 4.26Å; L48-Y64 HydrophobicContact CB-CG 4.05Å; L48-Y64 HydrophobicContact CD1-CD1 3.95Å; L48-Y64 HydrophobicContact CD1-CE1 3.64Å; L48-Y64 HydrophobicContact CG-CE1 4.49Å
49A94.4Very high92.6Very high0 Ų045.8 Ų45.80%027%0.265CS..Hα-helixtrans-55.9-50.2176.700000112.2L45 L46 H47 C51 Y52 I53 L65L45-A49 WeakPolarHBondContact O-CB 3.43Å; L45-A49 PolarHBondContact O-N 3.2Å; L46-A49 WeakPolarHBondContact O-CB 3.36Å; L46-A49 PolarHBondContact O-N 3.13Å; H47-A49 VanDerWaalsContact C-N 3.34Å; A49-C51 VanDerWaalsContact C-N 3.3Å; A49-C51 PolarHBondContact O-N 3.14Å; A49-Y52 PolarHBondContact O-N 3.17Å; A49-Y52 VanDerWaalsContact O-N 3.11Å; A49-I53 WeakPolarHBondContact O-CG1 3.09Å; A49-I53 PolarHBondContact O-N 3.28Å; A49-L65 HydrophobicContact CB-CD1 4.46Å; A49-L65 HydrophobicContact CB-CD2 3.59Å; A49-L65 HydrophobicContact CB-CG 3.64Å
50K94.2Very high92.7Very high66 Ų6643.8 Ų43.829%0.28725%0.247SC..Hα-helixtrans-58.2-40.4178.1-74.9171.2178.1175.20112.2L46 H47 L48 I53 A54 E84 L88L46-K50 HydrophobicContact CG-CD 4.39Å; L46-K50 WeakPolarHBondContact O-CB 3.33Å; L46-K50 VanDerWaalsContact O-CG 3.3Å; L46-K50 WeakPolarHBondContact O-CG 3.46Å; L46-K50 PolarHBondContact O-N 3.36Å; H47-K50 PolarHBondContact O-N 3.02Å; L48-K50 PolarHBondContact O-N 3.47Å; K50-I53 PolarHBondContact O-N 3.27Å; K50-A54 WeakPolarHBondContact O-CB 3.44Å; K50-A54 PolarHBondContact O-N 2.91Å; K50-E84 WeakPolarHBondContact CE-OE1 3.5Å; K50-E84 IonicContact NZ-OE1 2.71Å; K50-E84 PolarHBondContact NZ-OE1 3.2Å; K50-E84 IonicContact NZ-OE2 3.95Å; K50-E84 PolarHBondContact NZ-OE2 3.33Å; K50-L88 HydrophobicContact CG-CD1 4.15Å
51C94.2Very high93Very high12 Ų1242.1 Ų42.18%0.08123%0.23CC..Hα-helixtrans-64.6-42.5175.2-67.20000111.9I24 L28 H47 L48 A49 A54 K55I24-C51 HydrophobicContact CG2-CB 3.93Å; L28-C51 HydrophobicContact CD1-CB 4.46Å; L28-C51 HydrophobicContact CD2-CB 3.39Å; L28-C51 HydrophobicContact CG-CB 3.67Å; H47-C51 WeakPolarHBondContact O-CB 3.34Å; H47-C51 PolarHBondContact O-N 3.2Å; H47-C51 PolarHBondContact O-SG 3.37Å; L48-C51 WeakPolarHBondContact O-CB 3.33Å; L48-C51 PolarHBondContact O-N 3.06Å; A49-C51 VanDerWaalsContact C-N 3.3Å; A49-C51 PolarHBondContact O-N 3.14Å; C51-A54 PolarHBondContact O-N 2.87Å; C51-K55 PolarHBondContact O-N 3.38Å
52Y94.6Very high93.1Very high33 Ų3343 Ų4313%0.12923%0.23CC..Hα-helixtrans-66-37.1176-77.4-67.4000112.9L28 H32 L48 A49 K55 G56 N57 E60 Y64L28-Y52 HydrophobicContact CD1-CE1 4.36Å; L28-Y52 HydrophobicContact CD2-CD2 4Å; L28-Y52 HydrophobicContact CD2-CE1 4.34Å; L28-Y52 HydrophobicContact CD2-CE2 3.68Å; L28-Y52 HydrophobicContact CD2-CG 4.41Å; H32-Y52 PolarHBondContact CE1-OH 3.39Å; H32-Y52 AromaticContact NE2-CZ 4Å; H32-Y52 PolarHBondContact NE2-OH 2.92Å; L48-Y52 HydrophobicContact CD2-CE2 4.48Å; L48-Y52 WeakPolarHBondContact O-CD2 3.39Å; L48-Y52 PolarHBondContact O-N 3.19Å; A49-Y52 PolarHBondContact O-N 3.17Å; A49-Y52 VanDerWaalsContact O-N 3.11Å; Y52-K55 PolarHBondContact O-N 3.02Å; Y52-G56 PolarHBondContact O-N 3.4Å; Y52-N57 HydrophobicContact CD1-CB 4.22Å; Y52-N57 PolarHBondContact O-N 3.11Å; Y52-E60 HydrophobicContact CD1-CB 3.68Å; Y52-E60 HydrophobicContact CD1-CG 4.4Å; Y52-E60 HydrophobicContact CD2-CB 4.18Å; Y52-E60 HydrophobicContact CE1-CB 3.94Å; Y52-E60 HydrophobicContact CE1-CG 4.27Å; Y52-E60 HydrophobicContact CE2-CB 4.46Å; Y52-E60 HydrophobicContact CG-CB 3.81Å; Y52-Y64 AromaticContact CD2-CD2 3.67Å; Y52-Y64 HydrophobicContact CD2-CD2 3.67Å; Y52-Y64 AromaticContact CD2-CE2 3.63Å; Y52-Y64 HydrophobicContact CD2-CE2 3.63Å; Y52-Y64 AromaticContact CE2-CD2 3.74Å; Y52-Y64 HydrophobicContact CE2-CD2 3.74Å; Y52-Y64 AromaticContact CE2-CE2 3.19Å; Y52-Y64 HydrophobicContact CE2-CE2 3.19Å; Y52-Y64 AromaticContact CE2-CZ 3.96Å
53I93Very high93.2Very high51 Ų5148.4 Ų48.426%0.26225%0.253SS..Hα-helixtrans-60.1-47171.4-65.1170.4000109.9A49 K50 K55 G56 A61 L88 I92A49-I53 WeakPolarHBondContact O-CG1 3.09Å; A49-I53 PolarHBondContact O-N 3.28Å; K50-I53 PolarHBondContact O-N 3.27Å; I53-K55 PolarHBondContact O-N 3.03Å; I53-G56 PolarHBondContact O-N 2.9Å; I53-A61 HydrophobicContact CD1-CB 4.38Å; I53-A61 HydrophobicContact CG1-CB 3.51Å; I53-L88 HydrophobicContact CD1-CB 4.31Å; I53-L88 HydrophobicContact CD1-CD1 4.34Å; I53-L88 HydrophobicContact CD1-CD2 3.97Å; I53-L88 HydrophobicContact CD1-CG 4.44Å; I53-I92 HydrophobicContact CD1-CD1 3.94Å; I53-I92 HydrophobicContact CD1-CG1 4.43Å; I53-I92 HydrophobicContact CG1-CD1 3.97Å; I53-I92 HydrophobicContact CG1-CG1 4.42Å
54A91.2Very high93.2Very high69 Ų6947.4 Ų47.457%0.5725%0.246SC*.Hα-helixtrans-62-28.7178.100000112.9I24 K50 C51 G56I24-A54 HydrophobicContact CD1-CB 4.27Å; I24-A54 HydrophobicContact CG1-CB 4.4Å; I24-A54 HydrophobicContact CG2-CB 4.42Å; K50-A54 WeakPolarHBondContact O-CB 3.44Å; K50-A54 PolarHBondContact O-N 2.91Å; C51-A54 PolarHBondContact O-N 2.87Å; A54-G56 VanDerWaalsContact C-N 3.31Å
55K91.1Very high93.3Very high109 Ų10946.9 Ų46.947%0.47424%0.243SC..THydrogen-bonded Turntrans-81-3.8172.4-69-164.367.3157.30114.4I24 D25 L28 C51 Y52 I53 N57I24-K55 HydrophobicContact CG2-CD 4.24Å; I24-K55 HydrophobicContact CG2-CG 3.76Å; D25-K55 IonicContact OD1-NZ 3.94Å; D25-K55 PolarHBondContact OD1-NZ 3.22Å; L28-K55 HydrophobicContact CD1-CD 3.51Å; L28-K55 HydrophobicContact CD1-CG 4.48Å; C51-K55 PolarHBondContact O-N 3.38Å; Y52-K55 PolarHBondContact O-N 3.02Å; I53-K55 PolarHBondContact O-N 3.03Å; K55-N57 PolarHBondContact O-N 3.4Å
56G89.7Confident93.2Very high55 Ų5549.5 Ų49.557%0.56726%0.259SS*.THydrogen-bonded Turntrans74.68-173.600000114.4Y52 I53 A54 N58Y52-G56 PolarHBondContact O-N 3.4Å; I53-G56 PolarHBondContact O-N 2.9Å; A54-G56 VanDerWaalsContact C-N 3.31Å; G56-N58 PolarHBondContact O-N 3.34Å; G56-N58 VanDerWaalsContact O-N 3.15Å
57N91.8Very high93.2Very high66 Ų6651.4 Ų51.435%0.35327%0.272SS..  trans-89.275.6176.7-170.8-10.6000110.7Y52 K55 L59 E60 A61Y52-N57 HydrophobicContact CD1-CB 4.22Å; Y52-N57 PolarHBondContact O-N 3.11Å; K55-N57 PolarHBondContact O-N 3.4Å; N57-L59 PolarHBondContact O-N 2.97Å; N57-L59 PolarHBondContact OD1-N 3.43Å; N57-E60 VanDerWaalsContact ND2-CG 3.32Å; N57-E60 WeakPolarHBondContact ND2-CG 3.42Å; N57-E60 PolarHBondContact O-N 2.93Å; N57-E60 PolarHBondContact OD1-N 3.24Å; N57-A61 WeakPolarHBondContact O-CB 3.41Å; N57-A61 PolarHBondContact O-N 2.69Å; N57-A61 VanDerWaalsContact O-N 3.09Å
58N91.4Very high93.1Very high32 Ų3247.8 Ų47.817%0.17126%0.256CS..Hα-helixtrans-62.2-24.8-179.8-72.8-22.6000113.9G56 R62 I92G56-N58 PolarHBondContact O-N 3.34Å; G56-N58 VanDerWaalsContact O-N 3.15Å; N58-R62 WeakPolarHBondContact O-CB 3.46Å; N58-R62 PolarHBondContact O-N 3.42Å; N58-R62 VanDerWaalsContact O-N 3.09Å; N58-I92 HydrophobicContact CB-CG2 3.82Å
59L91.3Very high93Very high104 Ų10451.2 Ų51.255%0.54527%0.273SS..Hα-helixtrans-71.2-51.4-179.7-174.1152.4000111N57 R62 K63N57-L59 PolarHBondContact O-N 2.97Å; N57-L59 PolarHBondContact OD1-N 3.43Å; L59-R62 PolarHBondContact O-N 3.09Å; L59-K63 PolarHBondContact O-N 3.47Å
60E91.9Very high92.8Very high52 Ų5258.4 Ų58.424%0.24331%0.307CS..Hα-helixtrans-66.2-40.9176.1-72.6-58.7141.200110.9Y52 N57 R62 K63 Y64Y52-E60 HydrophobicContact CD1-CB 3.68Å; Y52-E60 HydrophobicContact CD1-CG 4.4Å; Y52-E60 HydrophobicContact CD2-CB 4.18Å; Y52-E60 HydrophobicContact CE1-CB 3.94Å; Y52-E60 HydrophobicContact CE1-CG 4.27Å; Y52-E60 HydrophobicContact CE2-CB 4.46Å; Y52-E60 HydrophobicContact CG-CB 3.81Å; N57-E60 VanDerWaalsContact ND2-CG 3.32Å; N57-E60 WeakPolarHBondContact ND2-CG 3.42Å; N57-E60 PolarHBondContact O-N 2.93Å; N57-E60 PolarHBondContact OD1-N 3.24Å; E60-R62 VanDerWaalsContact C-N 3.3Å; E60-R62 PolarHBondContact O-N 3.18Å; E60-K63 WeakPolarHBondContact O-CB 3.45Å; E60-K63 PolarHBondContact O-N 3.43Å; E60-K63 IonicContact OE2-NZ 3.6Å; E60-Y64 WeakPolarHBondContact O-CD2 3.49Å; E60-Y64 PolarHBondContact O-N 2.93Å
61A93.9Very high92.7Very high0 Ų057.4 Ų57.40%030%0.304CS..Hα-helixtrans-52.8-48.4174.800000112.2I53 N57 K63 Y64 L65 I92I53-A61 HydrophobicContact CD1-CB 4.38Å; I53-A61 HydrophobicContact CG1-CB 3.51Å; N57-A61 WeakPolarHBondContact O-CB 3.41Å; N57-A61 PolarHBondContact O-N 2.69Å; N57-A61 VanDerWaalsContact O-N 3.09Å; A61-K63 VanDerWaalsContact C-N 3.3Å; A61-K63 PolarHBondContact O-N 2.94Å; A61-Y64 PolarHBondContact O-N 3.32Å; A61-L65 VanDerWaalsContact O-CG 3.29Å; A61-L65 WeakPolarHBondContact O-CG 3.36Å; A61-L65 PolarHBondContact O-N 3.47Å; A61-I92 HydrophobicContact CB-CD1 3.91Å
62R93.9Very high92.5Very high100 Ų10062.1 Ų62.138%0.37733%0.333SS..Hα-helixtrans-60-38.9178.3-178.6175.263.2-121.4-1.4112.4N58 L59 E60 L65 V66 L89N58-R62 WeakPolarHBondContact O-CB 3.46Å; N58-R62 PolarHBondContact O-N 3.42Å; N58-R62 VanDerWaalsContact O-N 3.09Å; L59-R62 PolarHBondContact O-N 3.09Å; E60-R62 VanDerWaalsContact C-N 3.3Å; E60-R62 PolarHBondContact O-N 3.18Å; R62-L65 PolarHBondContact O-N 2.97Å; R62-V66 HydrophobicContact CG-CG2 4.31Å; R62-V66 VanDerWaalsContact O-CG2 3.3Å; R62-V66 WeakPolarHBondContact O-CG2 3.36Å; R62-V66 PolarHBondContact O-N 3.43Å; R62-L89 HydrophobicContact CB-CD2 4.38Å; R62-L89 HydrophobicContact CG-CD2 3.78Å
63K94.2Very high92.3Very high119 Ų11963 Ų6352%0.51734%0.343SS..Hα-helixtrans-58.7-49.2178.6179.8-174.1170.9-168.40111.2L59 E60 A61 V66 S67L59-K63 PolarHBondContact O-N 3.47Å; E60-K63 WeakPolarHBondContact O-CB 3.45Å; E60-K63 PolarHBondContact O-N 3.43Å; E60-K63 IonicContact OE2-NZ 3.6Å; A61-K63 VanDerWaalsContact C-N 3.3Å; A61-K63 PolarHBondContact O-N 2.94Å; K63-V66 PolarHBondContact O-N 2.79Å; K63-S67 PolarHBondContact O-N 3.41Å; K63-S67 PolarHBondContact O-OG 3.32Å
64Y94Very high92.2Very high33 Ų3368.1 Ų68.113%0.12937%0.369CS..Hα-helixtrans-66-39.9177.9-70.8-74.6000112.7H32 L45 L48 Y52 E60 A61 V66 S67 V68H32-Y64 PolarHBondContact CE1-OH 2.92Å; L45-Y64 HydrophobicContact CD2-CD1 3.85Å; L45-Y64 HydrophobicContact CD2-CE1 4.42Å; L48-Y64 HydrophobicContact CB-CD1 4.01Å; L48-Y64 HydrophobicContact CB-CD2 4.33Å; L48-Y64 HydrophobicContact CB-CE1 4.26Å; L48-Y64 HydrophobicContact CB-CG 4.05Å; L48-Y64 HydrophobicContact CD1-CD1 3.95Å; L48-Y64 HydrophobicContact CD1-CE1 3.64Å; L48-Y64 HydrophobicContact CG-CE1 4.49Å; Y52-Y64 AromaticContact CD2-CD2 3.67Å; Y52-Y64 HydrophobicContact CD2-CD2 3.67Å; Y52-Y64 AromaticContact CD2-CE2 3.63Å; Y52-Y64 HydrophobicContact CD2-CE2 3.63Å; Y52-Y64 AromaticContact CE2-CD2 3.74Å; Y52-Y64 HydrophobicContact CE2-CD2 3.74Å; Y52-Y64 AromaticContact CE2-CE2 3.19Å; Y52-Y64 HydrophobicContact CE2-CE2 3.19Å; Y52-Y64 AromaticContact CE2-CZ 3.96Å; E60-Y64 WeakPolarHBondContact O-CD2 3.49Å; E60-Y64 PolarHBondContact O-N 2.93Å; A61-Y64 PolarHBondContact O-N 3.32Å; Y64-V66 VanDerWaalsContact C-N 3.34Å; Y64-V66 PolarHBondContact O-N 3.09Å; Y64-S67 WeakPolarHBondContact O-CB 3.44Å; Y64-S67 PolarHBondContact O-N 3.1Å; Y64-V68 PolarHBondContact O-N 3.37Å; Y64-V68 VanDerWaalsContact O-N 3.09Å
65L94.5Very high92.3Very high0 Ų068.6 Ų68.60%036%0.362CS..Hα-helixtrans-62.8-39.2176.4-67.3169.9000112.2L46 A49 A61 R62 V68 L69 T85 L88 L89 I92L46-L65 HydrophobicContact CD1-CD2 3.93Å; A49-L65 HydrophobicContact CB-CD1 4.46Å; A49-L65 HydrophobicContact CB-CD2 3.59Å; A49-L65 HydrophobicContact CB-CG 3.64Å; A61-L65 VanDerWaalsContact O-CG 3.29Å; A61-L65 WeakPolarHBondContact O-CG 3.36Å; A61-L65 PolarHBondContact O-N 3.47Å; R62-L65 PolarHBondContact O-N 2.97Å; L65-V68 WeakPolarHBondContact O-CB 3.37Å; L65-V68 PolarHBondContact O-N 3.07Å; L65-L69 PolarHBondContact O-N 3.29Å; L65-T85 HydrophobicContact CB-CG2 3.85Å; L65-T85 HydrophobicContact CD2-CG2 3.79Å; L65-T85 HydrophobicContact CG-CG2 4.4Å; L65-T85 WeakPolarHBondContact O-CG2 3.18Å; L65-L88 HydrophobicContact CD1-CB 3.87Å; L65-L88 HydrophobicContact CD2-CB 4.12Å; L65-L88 HydrophobicContact CD2-CD1 3.97Å; L65-L89 HydrophobicContact CB-CD1 4.18Å; L65-L89 HydrophobicContact CB-CD2 3.68Å; L65-L89 HydrophobicContact CB-CG 3.79Å; L65-L89 HydrophobicContact CD1-CD2 3.79Å; L65-L89 HydrophobicContact CD1-CG 3.9Å; L65-L89 HydrophobicContact CG-CD2 4.39Å; L65-L89 HydrophobicContact CG-CG 4.43Å; L65-I92 HydrophobicContact CD1-CD1 3.61Å
66V94.1Very high92.4Very high62 Ų6269.7 Ų69.738%0.37637%0.369SS..Hα-helixtrans-64.2-42.2175.2171.20000110.8R62 K63 Y64 V68 L69 E70R62-V66 HydrophobicContact CG-CG2 4.31Å; R62-V66 VanDerWaalsContact O-CG2 3.3Å; R62-V66 WeakPolarHBondContact O-CG2 3.36Å; R62-V66 PolarHBondContact O-N 3.43Å; K63-V66 PolarHBondContact O-N 2.79Å; Y64-V66 VanDerWaalsContact C-N 3.34Å; Y64-V66 PolarHBondContact O-N 3.09Å; V66-V68 PolarHBondContact O-N 2.9Å; V66-L69 WeakPolarHBondContact O-CB 3.46Å; V66-L69 PolarHBondContact O-N 3.4Å; V66-E70 PolarHBondContact O-N 3.17Å
67S93.1Very high92.5Very high41 Ų4172.4 Ų72.429%0.28737%0.368SS..Hα-helixtrans-59.4-34.7174.8-600000112.7K63 Y64 E70K63-S67 PolarHBondContact O-N 3.41Å; K63-S67 PolarHBondContact O-OG 3.32Å; Y64-S67 WeakPolarHBondContact O-CB 3.44Å; Y64-S67 PolarHBondContact O-N 3.1Å; S67-E70 PolarHBondContact O-N 3.02Å
68V93.4Very high92.6Very high0 Ų070.2 Ų70.20%036%0.356CS..Hα-helixtrans-63-41.1173.6171.80000111.8I42 L45 Y64 L65 V66 E70 I71 I82 T85I42-V68 HydrophobicContact CG2-CG1 3.76Å; L45-V68 HydrophobicContact CB-CG2 3.46Å; L45-V68 VanDerWaalsContact CB-CG2 3.46Å; L45-V68 HydrophobicContact CD1-CG2 4.14Å; L45-V68 HydrophobicContact CG-CG2 4.49Å; Y64-V68 PolarHBondContact O-N 3.37Å; Y64-V68 VanDerWaalsContact O-N 3.09Å; L65-V68 WeakPolarHBondContact O-CB 3.37Å; L65-V68 PolarHBondContact O-N 3.07Å; V66-V68 PolarHBondContact O-N 2.9Å; V68-E70 PolarHBondContact O-N 3.36Å; V68-I71 PolarHBondContact O-N 3.11Å; V68-I71 VanDerWaalsContact O-N 3.16Å; V68-I82 HydrophobicContact CG1-CG1 4.37Å; V68-T85 HydrophobicContact CB-CG2 3.99Å; V68-T85 HydrophobicContact CG1-CG2 4.03Å; V68-T85 VanDerWaalsContact CG1-OG1 3.29Å; V68-T85 WeakPolarHBondContact CG1-OG1 3.38Å
69L92.1Very high92.7Very high71 Ų7173.5 Ų73.537%0.37237%0.369SS..Hα-helixtrans-68.2-19.1179.5-63.6-178.5000113.7L65 V66 I71 I82 T85 Q86 L89L65-L69 PolarHBondContact O-N 3.29Å; V66-L69 WeakPolarHBondContact O-CB 3.46Å; V66-L69 PolarHBondContact O-N 3.4Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I82 HydrophobicContact CD2-CG2 3.95Å; L69-T85 HydrophobicContact CD2-CG2 3.8Å; L69-T85 HydrophobicContact CG-CG2 3.89Å; L69-Q86 HydrophobicContact CD2-CG 4.02Å; L69-L89 HydrophobicContact CD1-CD1 3.52Å; L69-L89 HydrophobicContact CG-CD1 4.36Å
70E92.2Very high92.8Very high151 Ų15171.2 Ų71.271%0.70637%0.365SS*.THydrogen-bonded Turntrans-81.2-15.2176.1-67.2176.7173.800112.5V66 S67 V68V66-E70 PolarHBondContact O-N 3.17Å; S67-E70 PolarHBondContact O-N 3.02Å; V68-E70 PolarHBondContact O-N 3.36Å
71I91.2Very high92.9Very high45 Ų4569.5 Ų69.523%0.23136%0.357CS..SBendtrans-84.6138-179.8-59.1163.4000110.1G40 I42 L45 V68 L69G40-I71 WeakPolarHBondContact O-CD1 3Å; I42-I71 HydrophobicContact CD1-CB 4.1Å; I42-I71 HydrophobicContact CD1-CG2 3.68Å; I42-I71 HydrophobicContact CG1-CB 3.95Å; I42-I71 HydrophobicContact CG1-CD1 3.71Å; I42-I71 HydrophobicContact CG1-CG1 4.45Å; I42-I71 HydrophobicContact CG1-CG2 3.72Å; L45-I71 HydrophobicContact CD1-CD1 3.54Å; V68-I71 PolarHBondContact O-N 3.11Å; V68-I71 VanDerWaalsContact O-N 3.16Å; L69-I71 VanDerWaalsContact C-N 3.34Å
72T90.5Very high92.9Very high112 Ų11270.7 Ų70.769%0.68736%0.363SS*.PPolyproline II helixtrans-78.5122.2175.1-56.90000109.8I74T72-I74 PolarHBondContact O-N 3.28Å
73P90.4Very high92.9Very high51 Ų5169.5 Ų69.533%0.33137%0.367SS..PPolyproline II helixtrans-67.4130.7177.726.4-32.2000110.7D78 K79 I82P73-D78 HydrophobicContact CB-CB 3.57Å; P73-K79 HydrophobicContact CB-CG 3.9Å; P73-K79 HydrophobicContact CG-CG 4.25Å; P73-I82 HydrophobicContact CB-CD1 3.66Å; P73-I82 HydrophobicContact CG-CD1 3.64Å
74I91.1Very high93Very high158 Ų15866.9 Ų66.981%0.8136%0.357SS*.  trans-95.5-43.5-179.5-59.3173.6000110T72 D78T72-I74 PolarHBondContact O-N 3.28Å; I74-D78 WeakPolarHBondContact CA-OD2 3.48Å; I74-D78 WeakPolarHBondContact CB-OD2 3.2Å; I74-D78 PolarHBondContact N-OD2 3.17Å
75D92.9Very high93Very high79 Ų7965.3 Ų65.342%0.42235%0.35SS..SBendtrans-121.3-175-176.673.911.2000113.2M77 D78 K79D75-M77 VanDerWaalsContact C-N 3.3Å; D75-M77 WeakPolarHBondContact OD1-CA 3.34Å; D75-M77 VanDerWaalsContact OD1-CB 3.28Å; D75-M77 WeakPolarHBondContact OD1-CB 3.46Å; D75-M77 PolarHBondContact OD1-N 3.16Å; D75-D78 PolarHBondContact N-OD2 2.9Å; D75-D78 VanDerWaalsContact OD1-CG 3.29Å; D75-D78 PolarHBondContact OD1-N 3.36Å; D75-K79 WeakPolarHBondContact O-CG 3.28Å; D75-K79 PolarHBondContact O-N 3.43Å
76E93.1Very high93Very high133 Ų13370.2 Ų70.262%0.62137%0.373SS*.Hα-helixtrans-74-24179.1-160.862-160.400112.3K79 A80E76-K79 IonicContact OE2-NZ 2.8Å; E76-K79 PolarHBondContact OE2-NZ 3Å; E76-A80 PolarHBondContact O-N 3.27Å; E76-A80 VanDerWaalsContact O-N 3.1Å
77M92.2Very high93Very high111 Ų11173.5 Ų73.555%0.54738%0.384SS..Hα-helixtrans-68.8-47.4175.6-175.662.270.900110D75 K79 A80 Q81D75-M77 VanDerWaalsContact C-N 3.3Å; D75-M77 WeakPolarHBondContact OD1-CA 3.34Å; D75-M77 VanDerWaalsContact OD1-CB 3.28Å; D75-M77 WeakPolarHBondContact OD1-CB 3.46Å; D75-M77 PolarHBondContact OD1-N 3.16Å; M77-K79 VanDerWaalsContact C-N 3.26Å; M77-K79 PolarHBondContact O-N 2.69Å; M77-A80 WeakPolarHBondContact O-CA 3.29Å; M77-A80 WeakPolarHBondContact O-CB 3.46Å; M77-A80 PolarHBondContact O-N 3.18Å; M77-Q81 HydrophobicContact CG-CG 4.5Å; M77-Q81 WeakPolarHBondContact O-CG 3.32Å; M77-Q81 PolarHBondContact O-N 3.32Å
78D92.7Very high93Very high21 Ų2173.3 Ų73.311%0.11238%0.38CS..Hα-helixtrans-56.9-42.2177.2-65.2-23.1000111I42 P73 I74 D75 Q81 I82I42-D78 HydrophobicContact CD1-CB 3.74Å; P73-D78 HydrophobicContact CB-CB 3.57Å; I74-D78 WeakPolarHBondContact CA-OD2 3.48Å; I74-D78 WeakPolarHBondContact CB-OD2 3.2Å; I74-D78 PolarHBondContact N-OD2 3.17Å; D75-D78 PolarHBondContact N-OD2 2.9Å; D75-D78 VanDerWaalsContact OD1-CG 3.29Å; D75-D78 PolarHBondContact OD1-N 3.36Å; D78-Q81 PolarHBondContact O-N 3.32Å; D78-I82 VanDerWaalsContact O-CG1 3.31Å; D78-I82 WeakPolarHBondContact O-CG1 3.3Å; D78-I82 PolarHBondContact O-N 3.23Å
79K93.2Very high93Very high100 Ų10074.7 Ų74.744%0.43539%0.387SS..Hα-helixtrans-62.7-44.7175.4-67.2-179.3-155.11560111.9P73 D75 E76 M77 Q81 I82 V83P73-K79 HydrophobicContact CB-CG 3.9Å; P73-K79 HydrophobicContact CG-CG 4.25Å; D75-K79 WeakPolarHBondContact O-CG 3.28Å; D75-K79 PolarHBondContact O-N 3.43Å; E76-K79 IonicContact OE2-NZ 2.8Å; E76-K79 PolarHBondContact OE2-NZ 3Å; M77-K79 VanDerWaalsContact C-N 3.26Å; M77-K79 PolarHBondContact O-N 2.69Å; K79-Q81 PolarHBondContact O-N 2.99Å; K79-I82 PolarHBondContact O-N 3Å; K79-V83 WeakPolarHBondContact O-CG2 3.31Å; K79-V83 PolarHBondContact O-N 3.27Å
80A94.7Very high93.1Very high56 Ų5674.8 Ų74.846%0.46339%0.391SS..Hα-helixtrans-60.9-38.2177.200000111.3E76 M77 V83 E84E76-A80 PolarHBondContact O-N 3.27Å; E76-A80 VanDerWaalsContact O-N 3.1Å; M77-A80 WeakPolarHBondContact O-CA 3.29Å; M77-A80 WeakPolarHBondContact O-CB 3.46Å; M77-A80 PolarHBondContact O-N 3.18Å; A80-V83 PolarHBondContact O-N 3.01Å; A80-E84 PolarHBondContact O-N 3.09Å
81Q93.6Very high93.1Very high16 Ų1670 Ų708%0.07538%0.378CS..Hα-helixtrans-71.6-35.7177.5-70.6173.7-30.700113.2I42 D43 L46 M77 D78 K79 V83 E84 T85I42-Q81 HydrophobicContact CG2-CB 3.72Å; I42-Q81 HydrophobicContact CG2-CG 4.42Å; D43-Q81 VanDerWaalsContact CG-NE2 3.34Å; D43-Q81 VanDerWaalsContact OD1-CD 3.28Å; D43-Q81 PolarHBondContact OD1-NE2 3.26Å; D43-Q81 PolarHBondContact OD1-OE1 3.22Å; D43-Q81 VanDerWaalsContact OD1-OE1 3.11Å; L46-Q81 HydrophobicContact CD2-CB 3.98Å; L46-Q81 HydrophobicContact CD2-CG 3.91Å; M77-Q81 HydrophobicContact CG-CG 4.5Å; M77-Q81 WeakPolarHBondContact O-CG 3.32Å; M77-Q81 PolarHBondContact O-N 3.32Å; D78-Q81 PolarHBondContact O-N 3.32Å; K79-Q81 PolarHBondContact O-N 2.99Å; Q81-V83 VanDerWaalsContact C-N 3.33Å; Q81-E84 PolarHBondContact O-N 3.25Å; Q81-T85 VanDerWaalsContact O-CB 3.29Å; Q81-T85 WeakPolarHBondContact O-CB 3.37Å; Q81-T85 PolarHBondContact O-N 3.22Å; Q81-T85 PolarHBondContact O-OG1 3.35Å
82I93.9Very high93Very high26 Ų2668.1 Ų68.113%0.13337%0.368CS..Hα-helixtrans-64.3-41.2171.4-71.7171.2000110.3V68 L69 P73 D78 K79 T85 Q86V68-I82 HydrophobicContact CG1-CG1 4.37Å; L69-I82 HydrophobicContact CD2-CG2 3.95Å; P73-I82 HydrophobicContact CB-CD1 3.66Å; P73-I82 HydrophobicContact CG-CD1 3.64Å; D78-I82 VanDerWaalsContact O-CG1 3.31Å; D78-I82 WeakPolarHBondContact O-CG1 3.3Å; D78-I82 PolarHBondContact O-N 3.23Å; K79-I82 PolarHBondContact O-N 3Å; I82-T85 WeakPolarHBondContact O-CB 3.29Å; I82-T85 PolarHBondContact O-N 3.25Å; I82-Q86 WeakPolarHBondContact O-CG 3.38Å; I82-Q86 PolarHBondContact O-N 3.29Å
83V94.5Very high92.9Very high74 Ų7465.9 Ų65.945%0.44835%0.354SS..Hα-helixtrans-62.9-45174.2173.10000110.8K79 A80 Q81 T85 Q86 Q87K79-V83 WeakPolarHBondContact O-CG2 3.31Å; K79-V83 PolarHBondContact O-N 3.27Å; A80-V83 PolarHBondContact O-N 3.01Å; Q81-V83 VanDerWaalsContact C-N 3.33Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 3.31Å; V83-Q86 PolarHBondContact O-N 3.38Å; V83-Q87 WeakPolarHBondContact O-CG 3.37Å; V83-Q87 PolarHBondContact O-N 3.27Å; V83-Q87 VanDerWaalsContact O-N 3.11Å
84E94.9Very high92.8Very high65 Ų6568.6 Ų68.630%0.30436%0.362SS..Hα-helixtrans-60.7-41.3174.9-174.6176.4-167.300111.5L46 K50 A80 Q81 Q86 Q87 L88L46-E84 WeakPolarHBondContact CD2-OE2 3.4Å; K50-E84 WeakPolarHBondContact CE-OE1 3.5Å; K50-E84 IonicContact NZ-OE1 2.71Å; K50-E84 PolarHBondContact NZ-OE1 3.2Å; K50-E84 IonicContact NZ-OE2 3.95Å; K50-E84 PolarHBondContact NZ-OE2 3.33Å; A80-E84 PolarHBondContact O-N 3.09Å; Q81-E84 PolarHBondContact O-N 3.25Å; E84-Q86 VanDerWaalsContact C-N 3.32Å; E84-Q86 PolarHBondContact O-N 2.77Å; E84-Q87 WeakPolarHBondContact O-CB 3.49Å; E84-Q87 PolarHBondContact O-N 3.39Å; E84-Q87 VanDerWaalsContact O-N 3.17Å; E84-L88 HydrophobicContact CG-CD1 4.27Å; E84-L88 HydrophobicContact CG-CG 4.47Å; E84-L88 WeakPolarHBondContact O-CG 3.38Å; E84-L88 PolarHBondContact O-N 3.39Å
85T94.5Very high92.2Very high0 Ų063.4 Ų63.40%034%0.34CS..Hα-helixtrans-58.9-43.8177.2-640000111.3L65 V68 L69 Q81 I82 V83 L88 L89L65-T85 HydrophobicContact CB-CG2 3.85Å; L65-T85 HydrophobicContact CD2-CG2 3.79Å; L65-T85 HydrophobicContact CG-CG2 4.4Å; L65-T85 WeakPolarHBondContact O-CG2 3.18Å; V68-T85 HydrophobicContact CB-CG2 3.99Å; V68-T85 HydrophobicContact CG1-CG2 4.03Å; V68-T85 VanDerWaalsContact CG1-OG1 3.29Å; V68-T85 WeakPolarHBondContact CG1-OG1 3.38Å; L69-T85 HydrophobicContact CD2-CG2 3.8Å; L69-T85 HydrophobicContact CG-CG2 3.89Å; Q81-T85 VanDerWaalsContact O-CB 3.29Å; Q81-T85 WeakPolarHBondContact O-CB 3.37Å; Q81-T85 PolarHBondContact O-N 3.22Å; Q81-T85 PolarHBondContact O-OG1 3.35Å; I82-T85 WeakPolarHBondContact O-CB 3.29Å; I82-T85 PolarHBondContact O-N 3.25Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 3.31Å; T85-L88 PolarHBondContact O-N 3.11Å; T85-L89 HydrophobicContact CG2-CD1 4.33Å; T85-L89 WeakPolarHBondContact O-CG 3.29Å; T85-L89 PolarHBondContact O-N 3.05Å
86Q94.6Very high91.3Very high103 Ų10362.2 Ų62.248%0.48133%0.333SS..Hα-helixtrans-62.4-43.8175.8-70.4172.7-7.400111.6L69 I82 V83 E84 L88 L89 T90L69-Q86 HydrophobicContact CD2-CG 4.02Å; I82-Q86 WeakPolarHBondContact O-CG 3.38Å; I82-Q86 PolarHBondContact O-N 3.29Å; V83-Q86 PolarHBondContact O-N 3.38Å; E84-Q86 VanDerWaalsContact C-N 3.32Å; E84-Q86 PolarHBondContact O-N 2.77Å; Q86-L88 PolarHBondContact O-N 2.64Å; Q86-L89 PolarHBondContact O-N 3.31Å; Q86-T90 PolarHBondContact O-N 3.05Å; Q86-T90 PolarHBondContact O-OG1 3.23Å
87Q94.7Very high90.4Very high130 Ų13062 Ų6261%0.60733%0.33SS*.Hα-helixtrans-61.2-43.3176.9-68.5174.1-900111.8V83 E84 T90 A91V83-Q87 WeakPolarHBondContact O-CG 3.37Å; V83-Q87 PolarHBondContact O-N 3.27Å; V83-Q87 VanDerWaalsContact O-N 3.11Å; E84-Q87 WeakPolarHBondContact O-CB 3.49Å; E84-Q87 PolarHBondContact O-N 3.39Å; E84-Q87 VanDerWaalsContact O-N 3.17Å; Q87-T90 PolarHBondContact O-N 3.09Å; Q87-A91 WeakPolarHBondContact O-CB 3.33Å; Q87-A91 PolarHBondContact O-N 3.45Å
88L93.4Very high88.9Confident37 Ų3762.5 Ų62.519%0.19433%0.331CS..Hα-helixtrans-65.3-40177.4-69.9174.2000112.2L46 K50 I53 L65 E84 T85 Q86 A91 I92L46-L88 HydrophobicContact CD1-CD1 3.84Å; K50-L88 HydrophobicContact CG-CD1 4.15Å; I53-L88 HydrophobicContact CD1-CB 4.31Å; I53-L88 HydrophobicContact CD1-CD1 4.34Å; I53-L88 HydrophobicContact CD1-CD2 3.97Å; I53-L88 HydrophobicContact CD1-CG 4.44Å; L65-L88 HydrophobicContact CD1-CB 3.87Å; L65-L88 HydrophobicContact CD2-CB 4.12Å; L65-L88 HydrophobicContact CD2-CD1 3.97Å; E84-L88 HydrophobicContact CG-CD1 4.27Å; E84-L88 HydrophobicContact CG-CG 4.47Å; E84-L88 WeakPolarHBondContact O-CG 3.38Å; E84-L88 PolarHBondContact O-N 3.39Å; T85-L88 PolarHBondContact O-N 3.11Å; Q86-L88 PolarHBondContact O-N 2.64Å; L88-A91 PolarHBondContact O-N 2.94Å; L88-I92 WeakPolarHBondContact O-CG1 3.41Å; L88-I92 PolarHBondContact O-N 2.91Å
89L93.4Very high87.3Confident29 Ų2965.4 Ų65.415%0.15235%0.347CS..Hα-helixtrans-62-45.2174.7-77.6170.8000111.5R62 L65 L69 T85 Q86 A91 I92 T93R62-L89 HydrophobicContact CB-CD2 4.38Å; R62-L89 HydrophobicContact CG-CD2 3.78Å; L65-L89 HydrophobicContact CB-CD1 4.18Å; L65-L89 HydrophobicContact CB-CD2 3.68Å; L65-L89 HydrophobicContact CB-CG 3.79Å; L65-L89 HydrophobicContact CD1-CD2 3.79Å; L65-L89 HydrophobicContact CD1-CG 3.9Å; L65-L89 HydrophobicContact CG-CD2 4.39Å; L65-L89 HydrophobicContact CG-CG 4.43Å; L69-L89 HydrophobicContact CD1-CD1 3.52Å; L69-L89 HydrophobicContact CG-CD1 4.36Å; T85-L89 HydrophobicContact CG2-CD1 4.33Å; T85-L89 WeakPolarHBondContact O-CG 3.29Å; T85-L89 PolarHBondContact O-N 3.05Å; Q86-L89 PolarHBondContact O-N 3.31Å; L89-A91 PolarHBondContact O-N 3.39Å; L89-I92 PolarHBondContact O-N 2.79Å; L89-T93 WeakPolarHBondContact O-CG2 3.48Å; L89-T93 PolarHBondContact O-N 2.96Å; L89-T93 PolarHBondContact O-OG1 3.36Å
90T93.1Very high85.7Confident73 Ų7367.2 Ų67.245%0.44836%0.357SS..Hα-helixtrans-58.7-48.6175-60.20000110.8Q86 Q87 I92 T93 E94Q86-T90 PolarHBondContact O-N 3.05Å; Q86-T90 PolarHBondContact O-OG1 3.23Å; Q87-T90 PolarHBondContact O-N 3.09Å; T90-I92 PolarHBondContact O-N 3.28Å; T90-T93 WeakPolarHBondContact CA-OG1 3.28Å; T90-T93 PolarHBondContact O-N 2.87Å; T90-T93 PolarHBondContact O-OG1 2.89Å; T90-E94 HydrophobicContact CG2-CG 4.41Å; T90-E94 WeakPolarHBondContact CG2-OE1 3.49Å; T90-E94 WeakPolarHBondContact O-CG 3.18Å; T90-E94 PolarHBondContact O-N 3.03Å
91A91.6Very high83.9Confident52 Ų5271.2 Ų71.243%0.4337%0.366SS..Hα-helixtrans-58.9-42.6178.600000112.9Q87 L88 L89 T93 E94 C95Q87-A91 WeakPolarHBondContact O-CB 3.33Å; Q87-A91 PolarHBondContact O-N 3.45Å; L88-A91 PolarHBondContact O-N 2.94Å; L89-A91 PolarHBondContact O-N 3.39Å; A91-T93 VanDerWaalsContact C-N 3.34Å; A91-T93 PolarHBondContact O-N 3.35Å; A91-E94 PolarHBondContact O-N 3.29Å; A91-C95 WeakPolarHBondContact O-CB 3.39Å; A91-C95 PolarHBondContact O-N 3.3Å
92I89.7Confident82Confident5 Ų573.8 Ų73.83%0.02638%0.383CS..Hα-helixtrans-62.2-42175.1-70.5167.4000110.9I53 N58 A61 L65 L88 L89 T90 N96I53-I92 HydrophobicContact CD1-CD1 3.94Å; I53-I92 HydrophobicContact CD1-CG1 4.43Å; I53-I92 HydrophobicContact CG1-CD1 3.97Å; I53-I92 HydrophobicContact CG1-CG1 4.42Å; N58-I92 HydrophobicContact CB-CG2 3.82Å; A61-I92 HydrophobicContact CB-CD1 3.91Å; L65-I92 HydrophobicContact CD1-CD1 3.61Å; L88-I92 WeakPolarHBondContact O-CG1 3.41Å; L88-I92 PolarHBondContact O-N 2.91Å; L89-I92 PolarHBondContact O-N 2.79Å; T90-I92 PolarHBondContact O-N 3.28Å; I92-N96 VanDerWaalsContact O-CG 3.26Å; I92-N96 PolarHBondContact O-N 3.36Å; I92-N96 PolarHBondContact O-ND2 3.4Å; I92-N96 VanDerWaalsContact O-ND2 3.1Å
93T89.1Confident80.2Confident65 Ų6581.2 Ų81.240%0.39941%0.409SS..Hα-helixtrans-67.8-35.4178.960.70000112.9L89 T90 A91 K97L89-T93 WeakPolarHBondContact O-CG2 3.48Å; L89-T93 PolarHBondContact O-N 2.96Å; L89-T93 PolarHBondContact O-OG1 3.36Å; T90-T93 WeakPolarHBondContact CA-OG1 3.28Å; T90-T93 PolarHBondContact O-N 2.87Å; T90-T93 PolarHBondContact O-OG1 2.89Å; A91-T93 VanDerWaalsContact C-N 3.34Å; A91-T93 PolarHBondContact O-N 3.35Å; T93-K97 WeakPolarHBondContact O-CG 3.29Å; T93-K97 PolarHBondContact O-N 3.1Å
94E88Confident78.2Confident108 Ų10885.8 Ų85.851%0.50542%0.423SS..Hα-helixtrans-69.2-44177-72.217617700111.8T90 A91 N96 K97 Q98T90-E94 HydrophobicContact CG2-CG 4.41Å; T90-E94 WeakPolarHBondContact CG2-OE1 3.49Å; T90-E94 WeakPolarHBondContact O-CG 3.18Å; T90-E94 PolarHBondContact O-N 3.03Å; A91-E94 PolarHBondContact O-N 3.29Å; E94-N96 VanDerWaalsContact C-N 3.27Å; E94-N96 PolarHBondContact O-N 2.71Å; E94-K97 PolarHBondContact O-N 3.42Å; E94-K97 VanDerWaalsContact O-N 3.13Å; E94-Q98 PolarHBondContact O-N 3Å
95C78.6Confident76.1Confident49 Ų4986 Ų8633%0.33143%0.432SS..Hα-helixtrans-59.3-38.8175.7-1790000112A91 Q98 N99A91-C95 WeakPolarHBondContact O-CB 3.39Å; A91-C95 PolarHBondContact O-N 3.3Å; C95-Q98 PolarHBondContact O-N 3.01Å; C95-N99 PolarHBondContact O-N 2.92Å
96N74.4Confident74.1Confident53 Ų5393 Ų9328%0.28346%0.464SS..Hα-helixtrans-67.1-36.1177-67.8-28.7000112.6I92 E94 N99 E100I92-N96 VanDerWaalsContact O-CG 3.26Å; I92-N96 PolarHBondContact O-N 3.36Å; I92-N96 PolarHBondContact O-ND2 3.4Å; I92-N96 VanDerWaalsContact O-ND2 3.1Å; E94-N96 VanDerWaalsContact C-N 3.27Å; E94-N96 PolarHBondContact O-N 2.71Å; N96-N99 PolarHBondContact O-N 3.4Å; N96-E100 PolarHBondContact O-N 3.27Å
97K72.6Confident72Confident128 Ų12896.2 Ų96.256%0.55748%0.479SS*.Hα-helixtrans-64.6-42.7176.7-71.5173.5-177.8176.40112.1T93 E94 N99 E100 E101T93-K97 WeakPolarHBondContact O-CG 3.29Å; T93-K97 PolarHBondContact O-N 3.1Å; E94-K97 PolarHBondContact O-N 3.42Å; E94-K97 VanDerWaalsContact O-N 3.13Å; K97-N99 VanDerWaalsContact C-N 3.29Å; K97-N99 PolarHBondContact O-N 3.22Å; K97-E100 PolarHBondContact O-N 2.85Å; K97-E100 VanDerWaalsContact O-N 3.14Å; K97-E101 PolarHBondContact O-N 3.3Å
98Q61.3Low69.9Low123 Ų12397.5 Ų97.558%0.57549%0.488SS*.Hα-helixtrans-62.3-37.6178.1-69.4176.3-1700112E94 C95 E100 E101 T102E94-Q98 PolarHBondContact O-N 3Å; C95-Q98 PolarHBondContact O-N 3.01Å; Q98-E100 VanDerWaalsContact C-N 3.34Å; Q98-E101 PolarHBondContact O-N 2.8Å; Q98-T102 PolarHBondContact O-N 3.25Å; Q98-T102 PolarHBondContact O-OG1 3.29Å
99N58.6Low67.7Low82 Ų82102.7 Ų102.744%0.43952%0.515SS..Hα-helixtrans-67.4-32.8175.5-71.7-18.5000112.8C95 N96 K97 R103C95-N99 PolarHBondContact O-N 2.92Å; N96-N99 PolarHBondContact O-N 3.4Å; K97-N99 VanDerWaalsContact C-N 3.29Å; K97-N99 PolarHBondContact O-N 3.22Å; N99-R103 WeakPolarHBondContact O-CG 3.46Å; N99-R103 PolarHBondContact O-N 3.04Å
100E59.4Low66Low138 Ų138107.3 Ų107.365%0.64555%0.545SS*.Hα-helixtrans-71.2-37.2174.1-72.6-176.9179.600112.2N96 K97 Q98 K104N96-E100 PolarHBondContact O-N 3.27Å; K97-E100 PolarHBondContact O-N 2.85Å; K97-E100 VanDerWaalsContact O-N 3.14Å; Q98-E100 VanDerWaalsContact C-N 3.34Å; E100-K104 PolarHBondContact O-N 2.75Å
101E57.5Low63.7Low140 Ų140111.5 Ų111.565%0.65457%0.565SS**Hα-helixtrans-68.6-38.4175.8-72176.117400111.9K97 Q98 K104 S105K97-E101 PolarHBondContact O-N 3.3Å; Q98-E101 PolarHBondContact O-N 2.8Å; E101-K104 PolarHBondContact O-N 3.26Å; E101-S105 PolarHBondContact O-N 3.44Å; E101-S105 PolarHBondContact O-OG 3.16Å
102T55.1Low62Low70 Ų70114.4 Ų114.443%0.42958%0.582SS.*Hα-helixtrans-69.5-37.6179.9-49.50000111.7Q98 K104 S105 E106Q98-T102 PolarHBondContact O-N 3.25Å; Q98-T102 PolarHBondContact O-OG1 3.29Å; T102-K104 VanDerWaalsContact C-N 3.3Å; T102-K104 PolarHBondContact O-N 3.28Å; T102-S105 PolarHBondContact O-N 3.31Å; T102-S105 PolarHBondContact O-OG 3.18Å; T102-E106 WeakPolarHBondContact O-CG 3.49Å; T102-E106 PolarHBondContact O-N 3.28Å
103R54.3Low60.2Low181 Ų181122.2 Ų122.268%0.68362%0.624SS**Hα-helixtrans-65.9-30.4173.7-76.6-178.9-178.5160.81.9113.4N99N99-R103 WeakPolarHBondContact O-CG 3.46Å; N99-R103 PolarHBondContact O-N 3.04Å
104K52.7Low58.8Low170 Ų170127.9 Ų127.974%0.73965%0.645SS**Hα-helixtrans-75.5-29.3178.2-116.2175.3-179.2175.70113.2E100 E101 T102E100-K104 PolarHBondContact O-N 2.75Å; E101-K104 PolarHBondContact O-N 3.26Å; T102-K104 VanDerWaalsContact C-N 3.3Å; T102-K104 PolarHBondContact O-N 3.28Å
105S51.9Low56.8Low71 Ų71128.8 Ų128.850%0.49766%0.659SS.*Hα-helixtrans-76.4-23.2174.144.50000113.5E101 T102E101-S105 PolarHBondContact O-N 3.44Å; E101-S105 PolarHBondContact O-OG 3.16Å; T102-S105 PolarHBondContact O-N 3.31Å; T102-S105 PolarHBondContact O-OG 3.18Å
106E51.5Low55.7Low145 Ų145135.3 Ų135.368%0.67868%0.684SS**Hα-helixtrans-85.4-13.9-178-71174.3170.100113.9T102T102-E106 WeakPolarHBondContact O-CG 3.49Å; T102-E106 PolarHBondContact O-N 3.28Å
107E52Low54.4Low171 Ų171140 Ų14080%0.79971%0.71SS**THydrogen-bonded Turntrans-969.7177-72-173.4170.700113.9
108M49.8Very low53.6Low158 Ų158139.2 Ų139.278%0.77872%0.72SS**SBendtrans-118.336.4-176.1-148.8175.266.500112.8
109D47.7Very low53.1Low145 Ų145139.4 Ų139.478%0.77573%0.73SS**SBendtrans-139.343.9174-79.5-40.5000111.3
110T56.2Low53.2Low126 Ų126142.2 Ų142.277%0.77375%0.745SS**SBendtrans-150.660170.7600000112.7
111D46.7Very low53.1Low161 Ų161142.5 Ų142.586%0.86175%0.75SS**  trans-173.488152.5-126.1-10000110
112S53.9Low53.2Low113 Ų113141.3 Ų141.379%0.7975%0.752SS**  trans-161.583.9166.7-71.50000107.6
113D53.7Low53.1Low170 Ų170145.5 Ų145.591%0.90977%0.771SS**  -149.2116.2129.8-110.2-19.7000109.7
114E58.3Low53.7Low183 Ų183141.6 Ų141.686%0.85577%0.771SS**  trans-66.9150.3-174.5-67.1-168.2142.100111.9
115T46.7Very low54.4Low127 Ų127144 Ų14478%0.77978%0.777SS**  trans-38.2129.5158.150.80000114.2
116E56.4Low55.2Low187 Ų187146.1 Ų146.187%0.87479%0.792SS**  trans-16397.9144.1-106.1174.6-154.900107.8
117N46.5Very low55.4Low152 Ų152148.2 Ų148.281%0.81380%0.801SS**  57.597.999.1-171.852000114.2
118S55.1Low55.8Low110 Ų110149.2 Ų149.277%0.76981%0.806SS**  -176.8124.1124.6-169.20000110.7
119T50.8Low56.3Low128 Ų128153.7 Ų153.779%0.78583%0.832SS**  trans-78.1128.6168.747.60000110.9
120D60.5Low56.7Low140 Ų140154.1 Ų154.175%0.74984%0.835SS**  trans-160.9103.6152.3-145.125.2000107.6
121L57.4Low56.7Low145 Ų145155.6 Ų155.676%0.75984%0.838SS**  50.8120.396.1-75.3156000111.1
122T61.1Low57.3Low115 Ų115155.3 Ų155.371%0.70684%0.836SS**  cis-169.1140.941.9390000108.4
123I52.5Low57.5Low158 Ų158157.8 Ų157.881%0.8184%0.839SS**  trans-95.6110163.9-65.3171.2000106.3Y125I123-Y125 HydrophobicContact CG2-CD2 3.87Å; I123-Y125 HydrophobicContact CG2-CE2 4.14Å
124S66.6Low57.7Low99 Ų99157 Ų15769%0.69284%0.835SS**  trans-112.9113.8163.155.40000108.7
125Y67.5Low57.7Low221 Ų221155.3 Ų155.387%0.86783%0.833SS**PPolyproline II helixtrans-85.8122162.3-93.3-94.5000107.5I123I123-Y125 HydrophobicContact CG2-CD2 3.87Å; I123-Y125 HydrophobicContact CG2-CE2 4.14Å
126S68Low58.4Low115 Ų115157.3 Ų157.380%0.80484%0.837SS**PPolyproline II helixtrans-88118.8171.1-43.10000109
127E56.3Low58.6Low189 Ų189155 Ų15588%0.88384%0.835SS**PPolyproline II helixtrans-85.4129.7155.5-76.9-179.8146.500107.9
128E60.9Low59.6Low192 Ų192155.3 Ų155.390%0.89784%0.836SS**  trans177.4107.3145.2-103.1175.8-170.100111
129L59Low60Low251 Ų251159.4 Ų159.4100%1.31484%0.842SS**  trans-162.80144.3-110160.4000109.6

Retrieved 129 of 129 residues in 362.9 ms (Link to these results)