A0A077Z0L4_TRITR Loading...

HLH domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0L4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 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
1M40.9Very low57.2Low245 Ų245159.5 Ų159.5100%1.20785%0.846SS**  0117.20-82.7151.3162.100107.7
2T61.2Low56.2Low148 Ų148151.6 Ų151.691%0.90883%0.832SS**  trans-78.5122-168.8430000111.6
3R64.2Low55.4Low186 Ų186157.1 Ų157.170%0.70283%0.832SS**  trans-119.6109.1163.3171.1173.9157.181.71.4106.4E5R3-E5 IonicContact CZ-OE1 3.36Å; R3-E5 IonicContact CZ-OE2 3.47Å; R3-E5 IonicContact NH1-OE2 2.76Å; R3-E5 PolarHBondContact NH1-OE2 2.97Å; R3-E5 IonicContact NH2-OE1 3.07Å; R3-E5 PolarHBondContact NH2-OE1 2.95Å; R3-E5 IonicContact NH2-OE2 2.74Å; R3-E5 PolarHBondContact NH2-OE2 2.92Å
4V69Low55.2Low148 Ų148154.5 Ų154.590%0.89783%0.829SS**  trans-127.7122.4156-97.70000106.5
5E60.6Low55.2Low128 Ų128150.7 Ų150.760%0.59881%0.814SS**  trans-80149.8-165.3-176.7138.772.400110.7R3 D7R3-E5 IonicContact CZ-OE1 3.36Å; R3-E5 IonicContact CZ-OE2 3.47Å; R3-E5 IonicContact NH1-OE2 2.76Å; R3-E5 PolarHBondContact NH1-OE2 2.97Å; R3-E5 IonicContact NH2-OE1 3.07Å; R3-E5 PolarHBondContact NH2-OE1 2.95Å; R3-E5 IonicContact NH2-OE2 2.74Å; R3-E5 PolarHBondContact NH2-OE2 2.92Å; E5-D7 PolarHBondContact O-N 3.34Å
6S59.5Low54.9Low112 Ų112156.6 Ų156.678%0.78382%0.821SS**  trans-50.1117.5-177.7-45.80000113.6E8S6-E8 PolarHBondContact O-N 3.16Å
7D54.9Low54.8Low161 Ų161159.9 Ų159.986%0.86182%0.82SS**  trans-70.896.1158.2-86.9-63.9000108.4E5 Q9E5-D7 PolarHBondContact O-N 3.34Å; D7-Q9 PolarHBondContact O-N 2.92Å
8E56.9Low54.8Low187 Ų187158.1 Ų158.187%0.87482%0.817SS**  trans-58.9102.8167.2-130-175.9108.700108.1S6 P10S6-E8 PolarHBondContact O-N 3.16Å; E8-P10 WeakPolarHBondContact O-CD 3.13Å
9Q50.3Low54.7Low176 Ų176153.3 Ų153.382%0.82281%0.811SS**  trans-68.8114170.3-95-149.5-17.600109.2D7 T11D7-Q9 PolarHBondContact O-N 2.92Å; Q9-T11 PolarHBondContact O-N 3.24Å; Q9-T11 VanDerWaalsContact O-N 3.1Å
10P56.6Low54.8Low119 Ų119153.4 Ų153.477%0.77381%0.811SS**  trans-67.1115.5171.227.5-32.3000108.7E8 G12E8-P10 WeakPolarHBondContact O-CD 3.13Å; P10-G12 PolarHBondContact O-N 3.26Å
11T55.5Low54.8Low144 Ų144152.9 Ų152.988%0.88381%0.808SS**  trans-68.262.4168.948.10000110.4Q9 R13Q9-T11 PolarHBondContact O-N 3.24Å; Q9-T11 VanDerWaalsContact O-N 3.1Å; T11-R13 PolarHBondContact O-N 2.89Å
12G44.6Very low55.5Low65 Ų65146 Ų14667%0.6778%0.779SS**  trans-87.383.6178.900000111.2P10P10-G12 PolarHBondContact O-N 3.26Å
13R46.1Very low55.3Low223 Ų223148.1 Ų148.184%0.84278%0.776SS**  trans-44.1121.2166.9-167.7-178.7-151.7-154.37.2109.5T11 T15T11-R13 PolarHBondContact O-N 2.89Å; R13-T15 VanDerWaalsContact C-N 3.28Å; R13-T15 PolarHBondContact O-N 3.27Å; R13-T15 PolarHBondContact O-OG1 2.99Å
14P52.9Low54.8Low121 Ų121142.5 Ų142.579%0.78677%0.769SS**  trans-66.494178.323.8-30.5000108.5R16P14-R16 PolarHBondContact O-N 2.93Å
15T54.5Low54.1Low98 Ų98139.6 Ų139.660%0.60176%0.76SS**  trans-66.2109177.5-570000106.4R13 R17R13-T15 VanDerWaalsContact C-N 3.28Å; R13-T15 PolarHBondContact O-N 3.27Å; R13-T15 PolarHBondContact O-OG1 2.99Å; T15-R17 VanDerWaalsContact C-N 3.26Å; T15-R17 HydrophobicContact CG2-CG 4.04Å; T15-R17 PolarHBondContact O-N 3.33Å
16R50.4Low53.8Low245 Ų245138.8 Ų138.893%0.92576%0.76SS**  trans-54.386.2170.9-80.5179.6165.5-164.8-2.9109.7P14P14-R16 PolarHBondContact O-N 2.93Å
17R53.6Low53.9Low213 Ų213141 Ų14180%0.80476%0.756SS**  trans-131.516.3173.8-84.4-176.3177.7177.10.2113.3T15T15-R17 VanDerWaalsContact C-N 3.26Å; T15-R17 HydrophobicContact CG2-CG 4.04Å; T15-R17 PolarHBondContact O-N 3.33Å
18T54.1Low54.2Low127 Ų127136.9 Ų136.978%0.77974%0.738SS**THydrogen-bonded Turntrans-84.2-2.7179.736.50000115
19G53.2Low55Low67 Ų67133.2 Ų133.269%0.69172%0.723SS**THydrogen-bonded Turntrans-83.6-16.5-175.300000117.3
20L57.6Low56.5Low155 Ų155130.2 Ų130.281%0.81271%0.711SS**SBendtrans-108.4-22.9-168.2-62-179.4000115.1
21L55Low57.7Low142 Ų142126.6 Ų126.674%0.74368%0.684SS**THydrogen-bonded Turntrans-75.4-26.6-177-167.572.2000113.2K23 A24L21-K23 PolarHBondContact O-N 3.06Å; L21-A24 PolarHBondContact O-N 3.07Å
22V55.6Low59.1Low100 Ų100127.4 Ų127.461%0.60668%0.675SS**Hα-helixtrans-69.5-21.9-176-170.50000112.2
23K55.8Low61.1Low194 Ų194131.2 Ų131.284%0.84367%0.669SS**Hα-helixtrans-86.4-9.7-176.5-148132.281.2162.70114.3L21L21-K23 PolarHBondContact O-N 3.06Å
24A53.8Low63.4Low67 Ų67125.8 Ų125.855%0.55465%0.649SS**Hα-helixtrans-100.8-31.5-177.800000114.1L21L21-A24 PolarHBondContact O-N 3.07Å
25A54.4Low65.3Low87 Ų87125.8 Ų125.872%0.71963%0.633SS**Hα-helixtrans-81.8-26.8-17700000113.4K27A25-K27 PolarHBondContact O-N 2.97Å
26N55.7Low67.1Low112 Ų112124 Ų12460%0.59963%0.628SS**  trans-97.957.8177.5-70.7-52.8000110.8P28N26-P28 VanDerWaalsContact C-N 3.29Å; N26-P28 VanDerWaalsContact O-CA 3.24Å; N26-P28 WeakPolarHBondContact O-CA 2.93Å; N26-P28 WeakPolarHBondContact O-CD 3.36Å
27K60.2Low69.3Low159 Ų159120.5 Ų120.569%0.69162%0.615SS**  trans-54.2105.5161.1-74-172.9-178.6-169.10105.4A25A25-K27 PolarHBondContact O-N 2.97Å
28P61Low71.3Confident73 Ų73113.7 Ų113.747%0.47459%0.594SS.*  trans-65.9153.1-145.221.3-32.6000108.3N26 M30 E31N26-P28 VanDerWaalsContact C-N 3.29Å; N26-P28 VanDerWaalsContact O-CA 3.24Å; N26-P28 WeakPolarHBondContact O-CA 2.93Å; N26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-M30 HydrophobicContact CB-CB 4.11Å; P28-M30 HydrophobicContact CB-CG 4.29Å; P28-M30 HydrophobicContact CG-CB 4.11Å; P28-M30 CarbonylContact O-C 3.53Å; P28-M30 PolarHBondContact O-N 3Å; P28-E31 PolarHBondContact O-N 3.05Å
29L73.6Confident73.2Confident110 Ų110111 Ų11158%0.57658%0.575SS**Hα-helixtrans-38.6-32.6166.417962.4000112.4K32 R33L29-K32 PolarHBondContact O-N 2.75Å; L29-R33 WeakPolarHBondContact O-CG 3.27Å; L29-R33 PolarHBondContact O-N 3.21Å
30M81.5Confident75.1Confident114 Ų114114.2 Ų114.256%0.56257%0.57SS**Hα-helixtrans-56.8-42.6172.4-57.6-50.2-68.200115.1P28 R33 R34P28-M30 HydrophobicContact CB-CB 4.11Å; P28-M30 HydrophobicContact CB-CG 4.29Å; P28-M30 HydrophobicContact CG-CB 4.11Å; P28-M30 CarbonylContact O-C 3.53Å; P28-M30 PolarHBondContact O-N 3Å; M30-R33 PolarHBondContact O-N 3.21Å; M30-R34 WeakPolarHBondContact O-CB 3.15Å; M30-R34 PolarHBondContact O-N 2.86Å
31E83.6Confident76.9Confident43 Ų43109.7 Ų109.720%0.20155%0.551CS.*Hα-helixtrans-70-38.2178.3177.558.8-16800111.3P28 R34 R35P28-E31 PolarHBondContact O-N 3.05Å; E31-R34 PolarHBondContact O-N 2.81Å; E31-R34 IonicContact OE1-CZ 3.84Å; E31-R34 IonicContact OE1-NE 2.94Å; E31-R34 IonicContact OE1-NH2 2.67Å; E31-R34 PolarHBondContact OE1-NH2 2.81Å; E31-R34 IonicContact OE2-CZ 3.6Å; E31-R34 IonicContact OE2-NE 3.64Å; E31-R34 PolarHBondContact OE2-NE 2.83Å; E31-R34 IonicContact OE2-NH2 2.73Å; E31-R34 PolarHBondContact OE2-NH2 3.41Å; E31-R35 VanDerWaalsContact CG-NH2 3.26Å; E31-R35 WeakPolarHBondContact O-CG 3.41Å; E31-R35 PolarHBondContact O-N 3.09Å; E31-R35 IonicContact OE1-CZ 3.17Å; E31-R35 IonicContact OE1-NE 2.8Å; E31-R35 PolarHBondContact OE1-NE 2.91Å; E31-R35 IonicContact OE1-NH2 2.85Å; E31-R35 PolarHBondContact OE1-NH2 3.49Å
32K84.5Confident78.7Confident160 Ų160103.6 Ų103.670%0.69652%0.519SS*.Hα-helixtrans-61-45.5171.3-174.5177.1-179.5178.80110.9L29 R35 A36L29-K32 PolarHBondContact O-N 2.75Å; K32-R35 PolarHBondContact O-N 2.74Å; K32-A36 PolarHBondContact O-N 3.36Å
33R87.2Confident80.5Confident145 Ų145104 Ų10455%0.54752%0.518SS..Hα-helixtrans-62-42175.2-74.4177.4174.5179.2-1.9112.2L29 M30 R35 A36 R37L29-R33 WeakPolarHBondContact O-CG 3.27Å; L29-R33 PolarHBondContact O-N 3.21Å; M30-R33 PolarHBondContact O-N 3.21Å; R33-R35 PolarHBondContact O-N 3.39Å; R33-A36 WeakPolarHBondContact O-CB 3.21Å; R33-A36 PolarHBondContact O-N 3.38Å; R33-R37 WeakPolarHBondContact O-CG 3.48Å; R33-R37 PolarHBondContact O-N 3.16Å
34R93.3Very high82.2Confident109 Ų10999.4 Ų99.441%0.41150%0.5SS..Hα-helixtrans-60.4-46.4176.9-169.5-171.469.787.13.5111.3M30 E31 A36 R37 I38M30-R34 WeakPolarHBondContact O-CB 3.15Å; M30-R34 PolarHBondContact O-N 2.86Å; E31-R34 PolarHBondContact O-N 2.81Å; E31-R34 IonicContact OE1-CZ 3.84Å; E31-R34 IonicContact OE1-NE 2.94Å; E31-R34 IonicContact OE1-NH2 2.67Å; E31-R34 PolarHBondContact OE1-NH2 2.81Å; E31-R34 IonicContact OE2-CZ 3.6Å; E31-R34 IonicContact OE2-NE 3.64Å; E31-R34 PolarHBondContact OE2-NE 2.83Å; E31-R34 IonicContact OE2-NH2 2.73Å; E31-R34 PolarHBondContact OE2-NH2 3.41Å; R34-A36 VanDerWaalsContact C-N 3.35Å; R34-A36 PolarHBondContact O-N 3.14Å; R34-R37 PolarHBondContact O-N 2.98Å; R34-I38 HydrophobicContact CG-CD1 4.22Å; R34-I38 WeakPolarHBondContact O-CG1 3.49Å; R34-I38 PolarHBondContact O-N 3.2Å
35R93Very high84Confident121 Ų12198.6 Ų98.646%0.45749%0.486SS..Hα-helixtrans-62.3-40.6176.2-70.4165.7-171.2170.21112.2E31 K32 R33 R37 I38 N39E31-R35 VanDerWaalsContact CG-NH2 3.26Å; E31-R35 WeakPolarHBondContact O-CG 3.41Å; E31-R35 PolarHBondContact O-N 3.09Å; E31-R35 IonicContact OE1-CZ 3.17Å; E31-R35 IonicContact OE1-NE 2.8Å; E31-R35 PolarHBondContact OE1-NE 2.91Å; E31-R35 IonicContact OE1-NH2 2.85Å; E31-R35 PolarHBondContact OE1-NH2 3.49Å; K32-R35 PolarHBondContact O-N 2.74Å; R33-R35 PolarHBondContact O-N 3.39Å; R35-R37 VanDerWaalsContact C-N 3.34Å; R35-R37 PolarHBondContact O-N 3.2Å; R35-I38 PolarHBondContact O-N 3.4Å; R35-N39 WeakPolarHBondContact O-CB 3.47Å; R35-N39 PolarHBondContact O-N 3.47Å
36A92.9Very high85.6Confident61 Ų6197.4 Ų97.450%0.50446%0.464SS..Hα-helixtrans-60.4-43.4175.200000111.7K32 R33 R34 N39 K40K32-A36 PolarHBondContact O-N 3.36Å; R33-A36 WeakPolarHBondContact O-CB 3.21Å; R33-A36 PolarHBondContact O-N 3.38Å; R34-A36 VanDerWaalsContact C-N 3.35Å; R34-A36 PolarHBondContact O-N 3.14Å; A36-N39 PolarHBondContact O-N 3.42Å; A36-K40 VanDerWaalsContact O-CB 3.3Å; A36-K40 WeakPolarHBondContact O-CB 3.19Å; A36-K40 PolarHBondContact O-N 2.8Å
37R96.5Very high87.1Confident172 Ų17295.1 Ų95.165%0.64946%0.461SS*.Hα-helixtrans-62.2-45.2174.9-67.9-168.2-59.5-153.74112.2R33 R34 R35 K40 S41R33-R37 WeakPolarHBondContact O-CG 3.48Å; R33-R37 PolarHBondContact O-N 3.16Å; R34-R37 PolarHBondContact O-N 2.98Å; R35-R37 VanDerWaalsContact C-N 3.34Å; R35-R37 PolarHBondContact O-N 3.2Å; R37-K40 PolarHBondContact O-N 2.95Å; R37-S41 PolarHBondContact O-N 3.34Å; R37-S41 PolarHBondContact O-OG 3.38Å
38I94.5Very high88.3Confident70 Ų7092.4 Ų92.436%0.35945%0.452SS..Hα-helixtrans-62.7-47178.8-68.9167.8000111.1R34 R35 K40 S41 L42R34-I38 HydrophobicContact CG-CD1 4.22Å; R34-I38 WeakPolarHBondContact O-CG1 3.49Å; R34-I38 PolarHBondContact O-N 3.2Å; R35-I38 PolarHBondContact O-N 3.4Å; I38-K40 VanDerWaalsContact C-N 3.35Å; I38-S41 PolarHBondContact O-N 3.43Å; I38-L42 HydrophobicContact CG2-CD1 4.14Å; I38-L42 HydrophobicContact CG2-CG 4.45Å; I38-L42 WeakPolarHBondContact O-CG 2.89Å; I38-L42 PolarHBondContact O-N 2.81Å
39N93.6Very high89.4Confident71 Ų7189.1 Ų89.138%0.3843%0.43SS..Hα-helixtrans-64.1-42179.4-71-7.5000111.1R35 A36 S41 L42 D43R35-N39 WeakPolarHBondContact O-CB 3.47Å; R35-N39 PolarHBondContact O-N 3.47Å; A36-N39 PolarHBondContact O-N 3.42Å; N39-S41 VanDerWaalsContact C-N 3.33Å; N39-S41 PolarHBondContact O-N 3.41Å; N39-L42 WeakPolarHBondContact O-CB 3.34Å; N39-L42 PolarHBondContact O-N 3.36Å; N39-L42 VanDerWaalsContact O-N 3.11Å; N39-D43 PolarHBondContact O-N 3.4Å
40K94.9Very high89.8Confident133 Ų13387.7 Ų87.758%0.57842%0.421SS*.Hα-helixtrans-55.5-48.3173.6178.7176173.6176.50111.4A36 R37 I38 L42 D43 E44A36-K40 VanDerWaalsContact O-CB 3.3Å; A36-K40 WeakPolarHBondContact O-CB 3.19Å; A36-K40 PolarHBondContact O-N 2.8Å; R37-K40 PolarHBondContact O-N 2.95Å; I38-K40 VanDerWaalsContact C-N 3.35Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-L42 PolarHBondContact O-N 3.46Å; K40-D43 PolarHBondContact O-N 2.91Å; K40-E44 WeakPolarHBondContact CE-OE1 3.48Å; K40-E44 IonicContact NZ-OE1 3.99Å; K40-E44 WeakPolarHBondContact O-CG 3.1Å; K40-E44 PolarHBondContact O-N 2.7Å
41S94Very high89.7Confident60 Ų6084.5 Ų84.542%0.4242%0.418SS..Hα-helixtrans-63.8-37.1176.8-60.30000112.6R37 I38 N39 E44 L45R37-S41 PolarHBondContact O-N 3.34Å; R37-S41 PolarHBondContact O-OG 3.38Å; I38-S41 PolarHBondContact O-N 3.43Å; N39-S41 VanDerWaalsContact C-N 3.33Å; N39-S41 PolarHBondContact O-N 3.41Å; S41-E44 PolarHBondContact O-N 3.03Å; S41-L45 WeakPolarHBondContact O-CB 3.23Å; S41-L45 WeakPolarHBondContact O-CG 3.44Å; S41-L45 PolarHBondContact O-N 2.98Å
42L93.9Very high89.2Confident15 Ų1585 Ų858%0.07943%0.426CS..Hα-helixtrans-64.5-39.8175.3-72.6174.1000112.3I38 N39 K40 L45 K46 K65 I68 L69I38-L42 HydrophobicContact CG2-CD1 4.14Å; I38-L42 HydrophobicContact CG2-CG 4.45Å; I38-L42 WeakPolarHBondContact O-CG 2.89Å; I38-L42 PolarHBondContact O-N 2.81Å; N39-L42 WeakPolarHBondContact O-CB 3.34Å; N39-L42 PolarHBondContact O-N 3.36Å; N39-L42 VanDerWaalsContact O-N 3.11Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-L42 PolarHBondContact O-N 3.46Å; L42-L45 PolarHBondContact O-N 3.38Å; L42-K46 WeakPolarHBondContact O-CB 3.28Å; L42-K46 PolarHBondContact O-N 3.5Å; L42-K65 HydrophobicContact CD1-CD 3.98Å; L42-K65 HydrophobicContact CD1-CG 4.07Å; L42-I68 HydrophobicContact CD2-CB 4.49Å; L42-I68 HydrophobicContact CD2-CG2 4.03Å; L42-L69 HydrophobicContact CD2-CD2 4.13Å; L42-L69 HydrophobicContact CD2-CG 4.4Å
43D91.5Very high88.4Confident109 Ų10979.7 Ų79.758%0.58340%0.404SS*.Hα-helixtrans-66.5-43177.4-67.1-27.8000111.2N39 K40 K46 A47N39-D43 PolarHBondContact O-N 3.4Å; K40-D43 PolarHBondContact O-N 2.91Å; D43-K46 PolarHBondContact O-N 3.37Å; D43-A47 PolarHBondContact O-N 2.91Å
44E92.3Very high87.1Confident97 Ų9781.3 Ų81.345%0.45342%0.415SS..Hα-helixtrans-61-46.3174.2-72.6172.3-16800111.9K40 S41 K46 A47 M48K40-E44 WeakPolarHBondContact CE-OE1 3.48Å; K40-E44 IonicContact NZ-OE1 3.99Å; K40-E44 WeakPolarHBondContact O-CG 3.1Å; K40-E44 PolarHBondContact O-N 2.7Å; S41-E44 PolarHBondContact O-N 3.03Å; E44-K46 PolarHBondContact O-N 3.23Å; E44-A47 PolarHBondContact O-N 3.31Å; E44-M48 WeakPolarHBondContact O-CG 3.34Å; E44-M48 PolarHBondContact O-N 3.01Å
45L91.3Very high85.4Confident50 Ų5087.5 Ų87.526%0.26244%0.439SS..Hα-helixtrans-59.4-46.8175.9-72.9172.4000111.3S41 L42 A47 M48 L49 I68S41-L45 WeakPolarHBondContact O-CB 3.23Å; S41-L45 WeakPolarHBondContact O-CG 3.44Å; S41-L45 PolarHBondContact O-N 2.98Å; L42-L45 PolarHBondContact O-N 3.38Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 3.35Å; L45-M48 HydrophobicContact CD2-CE 3.82Å; L45-M48 HydrophobicContact CG-CE 4.49Å; L45-M48 PolarHBondContact O-N 2.88Å; L45-L49 WeakPolarHBondContact O-CB 3.32Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.14Å; L45-I68 HydrophobicContact CB-CG2 3.83Å; L45-I68 HydrophobicContact CD1-CG2 4.48Å
46K88.3Confident83.5Confident61 Ų6185.1 Ų85.127%0.26544%0.44SS..Hα-helixtrans-58.6-44.3177.4-174.5-179.9177.6-177.80111.5L42 D43 E44 L49 M50 W63 I68L42-K46 WeakPolarHBondContact O-CB 3.28Å; L42-K46 PolarHBondContact O-N 3.5Å; D43-K46 PolarHBondContact O-N 3.37Å; E44-K46 PolarHBondContact O-N 3.23Å; K46-L49 PolarHBondContact O-N 3.27Å; K46-M50 HydrophobicContact CD-SD 4.48Å; K46-M50 HydrophobicContact CG-CG 4.39Å; K46-M50 HydrophobicContact CG-SD 3.97Å; K46-M50 WeakPolarHBondContact O-CB 3.19Å; K46-M50 VanDerWaalsContact O-CG 3.23Å; K46-M50 WeakPolarHBondContact O-CG 3.24Å; K46-M50 PolarHBondContact O-N 2.91Å; K46-W63 HydrophobicContact CD-CB 4.24Å; K46-W63 HydrophobicContact CD-CG 4.46Å; K46-W63 HydrophobicContact CG-CG 4.42Å; K46-I68 HydrophobicContact CB-CD1 4.36Å; K46-I68 HydrophobicContact CD-CD1 4.46Å
47A87Confident81.7Confident64 Ų6484.3 Ų84.353%0.52943%0.429SS..Hα-helixtrans-62.2-44.2178.200000112.6D43 E44 L45 L49 M50 G51D43-A47 PolarHBondContact O-N 2.91Å; E44-A47 PolarHBondContact O-N 3.31Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 3.35Å; A47-L49 PolarHBondContact O-N 3.25Å; A47-M50 PolarHBondContact O-N 2.9Å; A47-G51 PolarHBondContact O-N 3.01Å; A47-G51 VanDerWaalsContact O-N 3.09Å
48M85.5Confident79.6Confident103 Ų10382.3 Ų82.351%0.50744%0.439SS..Hα-helixtrans-63.1-41.1176.7-71.2-174.1-72.100112.3E44 L45 G51 S52E44-M48 WeakPolarHBondContact O-CG 3.34Å; E44-M48 PolarHBondContact O-N 3.01Å; L45-M48 HydrophobicContact CD2-CE 3.82Å; L45-M48 HydrophobicContact CG-CE 4.49Å; L45-M48 PolarHBondContact O-N 2.88Å; M48-G51 PolarHBondContact O-N 2.98Å; M48-S52 PolarHBondContact O-N 3.29Å; M48-S52 VanDerWaalsContact O-N 3.16Å; M48-S52 PolarHBondContact O-OG 3.05Å; M48-S52 VanDerWaalsContact O-OG 3.14Å
49L84.8Confident77.8Confident4 Ų482.7 Ų82.72%0.02145%0.448CS..Hα-helixtrans-68.1-42.2178.3-69.9172.8000112.4L45 K46 A47 G51 S52 M53 W63 M71 Y75L45-L49 WeakPolarHBondContact O-CB 3.32Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 3.14Å; K46-L49 PolarHBondContact O-N 3.27Å; A47-L49 PolarHBondContact O-N 3.25Å; L49-G51 VanDerWaalsContact C-N 3.27Å; L49-G51 PolarHBondContact O-N 3.4Å; L49-S52 PolarHBondContact O-N 3.37Å; L49-S52 PolarHBondContact O-OG 3.28Å; L49-M53 WeakPolarHBondContact O-CB 3.31Å; L49-M53 PolarHBondContact O-N 3.49Å; L49-W63 HydrophobicContact CB-CH2 4.01Å; L49-W63 HydrophobicContact CB-CZ3 4.34Å; L49-W63 HydrophobicContact CD1-CE3 4.48Å; L49-W63 HydrophobicContact CD1-CH2 4.08Å; L49-W63 HydrophobicContact CD1-CZ3 3.64Å; L49-M71 HydrophobicContact CD1-CB 3.69Å; L49-M71 HydrophobicContact CD2-CB 4.15Å; L49-M71 WeakPolarHBondContact CD2-O 3.21Å; L49-Y75 HydrophobicContact CD2-CD1 4.35Å; L49-Y75 HydrophobicContact CD2-CG 3.98Å
50M82.2Confident76.2Confident79 Ų7982.3 Ų82.339%0.38944%0.443SS..Hα-helixtrans-62.5-35.1175.1-71.9179.763.200112.1K46 A47 H60K46-M50 HydrophobicContact CD-SD 4.48Å; K46-M50 HydrophobicContact CG-CG 4.39Å; K46-M50 HydrophobicContact CG-SD 3.97Å; K46-M50 WeakPolarHBondContact O-CB 3.19Å; K46-M50 VanDerWaalsContact O-CG 3.23Å; K46-M50 WeakPolarHBondContact O-CG 3.24Å; K46-M50 PolarHBondContact O-N 2.91Å; A47-M50 PolarHBondContact O-N 2.9Å; M50-H60 HydrophobicContact CE-CB 4.42Å
51G78.2Confident74.6Confident47 Ų4781.4 Ų81.449%0.48545%0.453SS..Hα-helixtrans-70.3-40.1177.900000114A47 M48 L49A47-G51 PolarHBondContact O-N 3.01Å; A47-G51 VanDerWaalsContact O-N 3.09Å; M48-G51 PolarHBondContact O-N 2.98Å; L49-G51 VanDerWaalsContact C-N 3.27Å; L49-G51 PolarHBondContact O-N 3.4Å
52S73.4Confident73.6Confident53 Ų5386.2 Ų86.237%0.37147%0.467SS..Hα-helixtrans-87.6-35.5-175.962.70000113.4M48 L49 K54 Y75M48-S52 PolarHBondContact O-N 3.29Å; M48-S52 VanDerWaalsContact O-N 3.16Å; M48-S52 PolarHBondContact O-OG 3.05Å; M48-S52 VanDerWaalsContact O-OG 3.14Å; L49-S52 PolarHBondContact O-N 3.37Å; L49-S52 PolarHBondContact O-OG 3.28Å; S52-K54 VanDerWaalsContact C-N 3.32Å; S52-K54 PolarHBondContact O-N 2.94Å; S52-Y75 VanDerWaalsContact CB-CE2 3.43Å; S52-Y75 VanDerWaalsContact OG-CE2 3.28Å; S52-Y75 WeakPolarHBondContact OG-CE2 3.47Å
53M67.4Low73Confident50 Ų5086.4 Ų86.425%0.24647%0.467CS..  trans-92.742.6-175.4-158.469.6-99.100112.3L49 R55 S56 V57 M71L49-M53 WeakPolarHBondContact O-CB 3.31Å; L49-M53 PolarHBondContact O-N 3.49Å; M53-R55 HydrophobicContact CE-CB 4.41Å; M53-R55 PolarHBondContact O-N 3.47Å; M53-S56 VanDerWaalsContact CE-CB 3.41Å; M53-S56 WeakPolarHBondContact CE-OG 3.25Å; M53-S56 WeakPolarHBondContact CG-OG 3.48Å; M53-S56 PolarHBondContact SD-OG 2.62Å; M53-V57 HydrophobicContact CG-CG2 4.13Å; M53-M71 HydrophobicContact CG-CE 3.99Å; M53-M71 HydrophobicContact SD-CE 4.21Å
54K60.5Low72.8Confident179 Ų17986.7 Ų86.778%0.77847%0.465SS*.THydrogen-bonded Turntrans-61.1-7.4175.7-72.1-178.2178.6171.50114.4S52S52-K54 VanDerWaalsContact C-N 3.32Å; S52-K54 PolarHBondContact O-N 2.94Å
55R57Low72.6Confident239 Ų23988.2 Ų88.290%0.90247%0.469SS*.THydrogen-bonded Turntrans-112.5-11-167.5-81.1-168.5-95.1-157.8-5117.3M53M53-R55 HydrophobicContact CE-CB 4.41Å; M53-R55 PolarHBondContact O-N 3.47Å
56S54.5Low72.6Confident70 Ų7089.1 Ų89.149%0.4948%0.484SS..THydrogen-bonded Turntrans-135.6-2.1-167.9790000119M53M53-S56 VanDerWaalsContact CE-CB 3.41Å; M53-S56 WeakPolarHBondContact CE-OG 3.25Å; M53-S56 WeakPolarHBondContact CG-OG 3.48Å; M53-S56 PolarHBondContact SD-OG 2.62Å
57V54.6Low72.5Confident45 Ų4589.1 Ų89.127%0.27349%0.487SS..  trans-126.993.3-176.6-166.10000111.7M53 S59 M71M53-V57 HydrophobicContact CG-CG2 4.13Å; V57-S59 VanDerWaalsContact C-N 3.28Å; V57-S59 PolarHBondContact O-N 2.95Å; V57-M71 HydrophobicContact CG2-CE 4.23Å
58P51.8Low72.7Confident130 Ų13086.6 Ų86.684%0.84447%0.465SS*.SBendtrans-77.781.1173.132.6-30.3000108.9
59S56.3Low73.1Confident78 Ų7886.1 Ų86.155%0.54546%0.464SS..  trans160.471.1154.4-172.30000108.7V57 S61V57-S59 VanDerWaalsContact C-N 3.28Å; V57-S59 PolarHBondContact O-N 2.95Å; S59-S61 PolarHBondContact O-N 3.22Å
60H60.4Low73.3Confident63 Ų6391.8 Ų91.829%0.29249%0.49SS..G310 helixtrans-64.4-5.6173.3-72.1-80.5000113.7M50 K62 W63M50-H60 HydrophobicContact CE-CB 4.42Å; H60-K62 PolarHBondContact O-N 3.11Å; H60-W63 AromaticContact CG-NE1 3.94Å; H60-W63 AromaticContact ND1-CE2 3.9Å; H60-W63 AromaticContact ND1-NE1 3.24Å; H60-W63 PolarHBondContact ND1-NE1 3Å
61S61.3Low73.6Confident113 Ų11389 Ų8979%0.7948%0.476SS*.G310 helixtrans-65.3-22.8-172.2-55.90000113.3S59S59-S61 PolarHBondContact O-N 3.22Å
62K73.5Confident74.1Confident161 Ų16187.4 Ų87.470%0.746%0.458SS*.G310 helixtrans-148.774.7-178-163.5178.6174.2-1790113.2H60 E64H60-K62 PolarHBondContact O-N 3.11Å; K62-E64 PolarHBondContact O-N 3.3Å
63W80.4Confident74.9Confident20 Ų2088 Ų888%0.07646%0.459CS..  trans-69.6112.4166.4-77.365.2000109.5K46 L49 H60 I68 M71K46-W63 HydrophobicContact CD-CB 4.24Å; K46-W63 HydrophobicContact CD-CG 4.46Å; K46-W63 HydrophobicContact CG-CG 4.42Å; L49-W63 HydrophobicContact CB-CH2 4.01Å; L49-W63 HydrophobicContact CB-CZ3 4.34Å; L49-W63 HydrophobicContact CD1-CE3 4.48Å; L49-W63 HydrophobicContact CD1-CH2 4.08Å; L49-W63 HydrophobicContact CD1-CZ3 3.64Å; H60-W63 AromaticContact CG-NE1 3.94Å; H60-W63 AromaticContact ND1-CE2 3.9Å; H60-W63 AromaticContact ND1-NE1 3.24Å; H60-W63 PolarHBondContact ND1-NE1 3Å; W63-I68 HydrophobicContact CB-CD1 4.14Å; W63-I68 HydrophobicContact CB-CG1 3.8Å; W63-I68 HydrophobicContact CD2-CG1 4.4Å; W63-I68 HydrophobicContact CE3-CB 4.36Å; W63-I68 HydrophobicContact CE3-CG1 3.72Å; W63-I68 HydrophobicContact CG-CG1 4.49Å; W63-M71 HydrophobicContact CH2-CB 3.87Å; W63-M71 HydrophobicContact CH2-CE 4.08Å; W63-M71 HydrophobicContact CH2-CG 3.67Å; W63-M71 HydrophobicContact CZ3-CB 3.54Å; W63-M71 HydrophobicContact CZ3-CG 3.48Å; W63-M71 VanDerWaalsContact CZ3-CG 3.48Å
64E87.5Confident75.8Confident115 Ų11590.4 Ų90.454%0.53747%0.47SS..  trans-74.7156.5171.4-60.2-163.614300110.2K62 A66 D67 I68K62-E64 PolarHBondContact O-N 3.3Å; E64-A66 PolarHBondContact O-N 3.15Å; E64-D67 HydrophobicContact CB-CB 4.38Å; E64-D67 WeakPolarHBondContact O-CB 3.27Å; E64-D67 PolarHBondContact O-N 3.41Å; E64-D67 VanDerWaalsContact O-N 3.11Å; E64-I68 WeakPolarHBondContact O-CG1 3.48Å; E64-I68 PolarHBondContact O-N 2.9Å
65K89.2Confident77Confident128 Ų12885.7 Ų85.756%0.55745%0.448SS*.Hα-helixtrans-58.2-36.8-179.6-68.1-171.4174.5-173.90112.4L42 L69L42-K65 HydrophobicContact CD1-CD 3.98Å; L42-K65 HydrophobicContact CD1-CG 4.07Å; K65-L69 VanDerWaalsContact O-CG 3.28Å; K65-L69 WeakPolarHBondContact O-CG 3.38Å; K65-L69 PolarHBondContact O-N 3.11Å
66A90.3Very high78.5Confident69 Ų6978.8 Ų78.857%0.5743%0.432SS*.Hα-helixtrans-65.7-44.9176.900000111.5E64 I68 L69 E70E64-A66 PolarHBondContact O-N 3.15Å; A66-I68 PolarHBondContact O-N 3.45Å; A66-L69 PolarHBondContact O-N 2.91Å; A66-L69 VanDerWaalsContact O-N 3.15Å; A66-E70 PolarHBondContact O-N 3.4Å
67D87.8Confident80Confident61 Ų6184 Ų8433%0.32644%0.441SS..Hα-helixtrans-62.2-44178.9-174.239.5000112E64 L69 E70 M71E64-D67 HydrophobicContact CB-CB 4.38Å; E64-D67 WeakPolarHBondContact O-CB 3.27Å; E64-D67 PolarHBondContact O-N 3.41Å; E64-D67 VanDerWaalsContact O-N 3.11Å; D67-L69 PolarHBondContact O-N 3.02Å; D67-E70 PolarHBondContact O-N 3.47Å; D67-M71 VanDerWaalsContact O-CB 3.27Å; D67-M71 WeakPolarHBondContact O-CB 3.49Å; D67-M71 VanDerWaalsContact O-CG 3.25Å; D67-M71 WeakPolarHBondContact O-CG 3.36Å; D67-M71 PolarHBondContact O-N 3.29Å
68I89.9Confident81.3Confident11 Ų1184.9 Ų84.96%0.05645%0.446CS..Hα-helixtrans-54.9-44.4173.9-63.3168.8000110.7L42 L45 K46 W63 E64 A66 S72L42-I68 HydrophobicContact CD2-CB 4.49Å; L42-I68 HydrophobicContact CD2-CG2 4.03Å; L45-I68 HydrophobicContact CB-CG2 3.83Å; L45-I68 HydrophobicContact CD1-CG2 4.48Å; K46-I68 HydrophobicContact CB-CD1 4.36Å; K46-I68 HydrophobicContact CD-CD1 4.46Å; W63-I68 HydrophobicContact CB-CD1 4.14Å; W63-I68 HydrophobicContact CB-CG1 3.8Å; W63-I68 HydrophobicContact CD2-CG1 4.4Å; W63-I68 HydrophobicContact CE3-CB 4.36Å; W63-I68 HydrophobicContact CE3-CG1 3.72Å; W63-I68 HydrophobicContact CG-CG1 4.49Å; E64-I68 WeakPolarHBondContact O-CG1 3.48Å; E64-I68 PolarHBondContact O-N 2.9Å; A66-I68 PolarHBondContact O-N 3.45Å; I68-S72 VanDerWaalsContact O-CB 3.26Å; I68-S72 WeakPolarHBondContact O-CB 3.39Å; I68-S72 PolarHBondContact O-N 2.92Å; I68-S72 PolarHBondContact O-OG 2.87Å
69L93.3Very high82.8Confident94 Ų9482 Ų8249%0.49242%0.423SS..Hα-helixtrans-70.7-45.6-178-67.2171.9000111.9L42 K65 A66 D67 S72 V73L42-L69 HydrophobicContact CD2-CD2 4.13Å; L42-L69 HydrophobicContact CD2-CG 4.4Å; K65-L69 VanDerWaalsContact O-CG 3.28Å; K65-L69 WeakPolarHBondContact O-CG 3.38Å; K65-L69 PolarHBondContact O-N 3.11Å; A66-L69 PolarHBondContact O-N 2.91Å; A66-L69 VanDerWaalsContact O-N 3.15Å; D67-L69 PolarHBondContact O-N 3.02Å; L69-S72 WeakPolarHBondContact O-CB 3.43Å; L69-S72 PolarHBondContact O-N 3.19Å; L69-V73 WeakPolarHBondContact O-CG2 3.48Å; L69-V73 PolarHBondContact O-N 3.29Å
70E90.1Very high84Confident123 Ų12387.7 Ų87.758%0.57543%0.433SS*.Hα-helixtrans-61.6-49.3179.7-171.659.4-140.500110.9A66 D67 S72 V73 Q74A66-E70 PolarHBondContact O-N 3.4Å; D67-E70 PolarHBondContact O-N 3.47Å; E70-S72 VanDerWaalsContact C-N 3.29Å; E70-S72 PolarHBondContact O-N 3.49Å; E70-V73 PolarHBondContact O-N 3.09Å; E70-V73 VanDerWaalsContact O-N 3.14Å; E70-Q74 PolarHBondContact O-N 3Å
71M87.9Confident84.5Confident20 Ų2086.3 Ų86.310%0.09944%0.435CS..Hα-helixtrans-63.4-34.6177.2-69.8-64.9-63.400112.1L49 M53 V57 W63 D67 Q74 Y75L49-M71 HydrophobicContact CD1-CB 3.69Å; L49-M71 HydrophobicContact CD2-CB 4.15Å; L49-M71 WeakPolarHBondContact CD2-O 3.21Å; M53-M71 HydrophobicContact CG-CE 3.99Å; M53-M71 HydrophobicContact SD-CE 4.21Å; V57-M71 HydrophobicContact CG2-CE 4.23Å; W63-M71 HydrophobicContact CH2-CB 3.87Å; W63-M71 HydrophobicContact CH2-CE 4.08Å; W63-M71 HydrophobicContact CH2-CG 3.67Å; W63-M71 HydrophobicContact CZ3-CB 3.54Å; W63-M71 HydrophobicContact CZ3-CG 3.48Å; W63-M71 VanDerWaalsContact CZ3-CG 3.48Å; D67-M71 VanDerWaalsContact O-CB 3.27Å; D67-M71 WeakPolarHBondContact O-CB 3.49Å; D67-M71 VanDerWaalsContact O-CG 3.25Å; D67-M71 WeakPolarHBondContact O-CG 3.36Å; D67-M71 PolarHBondContact O-N 3.29Å; M71-Q74 PolarHBondContact O-N 3.28Å; M71-Q74 PolarHBondContact SD-OE1 3.25Å; M71-Q74 VanDerWaalsContact SD-OE1 3.41Å; M71-Y75 WeakPolarHBondContact O-CB 3.43Å; M71-Y75 PolarHBondContact O-N 3.4Å
72S89.4Confident84.4Confident13 Ų1386.6 Ų86.69%0.09143%0.425CS..Hα-helixtrans-62.8-44.9173.6-63.70000111.5I68 L69 E70 Y75 V76I68-S72 VanDerWaalsContact O-CB 3.26Å; I68-S72 WeakPolarHBondContact O-CB 3.39Å; I68-S72 PolarHBondContact O-N 2.92Å; I68-S72 PolarHBondContact O-OG 2.87Å; L69-S72 WeakPolarHBondContact O-CB 3.43Å; L69-S72 PolarHBondContact O-N 3.19Å; E70-S72 VanDerWaalsContact C-N 3.29Å; E70-S72 PolarHBondContact O-N 3.49Å; S72-Y75 PolarHBondContact O-N 3.02Å; S72-V76 VanDerWaalsContact O-CG2 3.31Å; S72-V76 WeakPolarHBondContact O-CG2 3.26Å; S72-V76 PolarHBondContact O-N 3.28Å
73V90.6Very high83.5Confident67 Ų6784.4 Ų84.441%0.40642%0.424SS..Hα-helixtrans-64.4-44.5176.7173.50000110.6L69 E70 Y75 V76 R77L69-V73 WeakPolarHBondContact O-CG2 3.48Å; L69-V73 PolarHBondContact O-N 3.29Å; E70-V73 PolarHBondContact O-N 3.09Å; E70-V73 VanDerWaalsContact O-N 3.14Å; V73-Y75 VanDerWaalsContact C-N 3.33Å; V73-Y75 PolarHBondContact O-N 3.48Å; V73-V76 PolarHBondContact O-N 3.38Å; V73-R77 WeakPolarHBondContact O-CB 3.28Å; V73-R77 WeakPolarHBondContact O-CG 3.41Å; V73-R77 PolarHBondContact O-N 3.02Å
74Q85.4Confident82Confident100 Ų10085 Ų8547%0.46743%0.432SS..Hα-helixtrans-61.2-41.9176.4-167.6-170.421.200111.7E70 M71 R77 T78E70-Q74 PolarHBondContact O-N 3Å; M71-Q74 PolarHBondContact O-N 3.28Å; M71-Q74 PolarHBondContact SD-OE1 3.25Å; M71-Q74 VanDerWaalsContact SD-OE1 3.41Å; Q74-R77 PolarHBondContact O-N 3.23Å; Q74-T78 WeakPolarHBondContact O-CB 3.48Å; Q74-T78 PolarHBondContact O-N 3.5Å; Q74-T78 PolarHBondContact O-OG1 2.57Å
75Y85.9Confident80Confident80 Ų8083.5 Ų83.531%0.31443%0.434SS..Hα-helixtrans-62-48.1176.6179.1-116.3000111.1L49 S52 M71 S72 V73 R77 T78 L79L49-Y75 HydrophobicContact CD2-CD1 4.35Å; L49-Y75 HydrophobicContact CD2-CG 3.98Å; S52-Y75 VanDerWaalsContact CB-CE2 3.43Å; S52-Y75 VanDerWaalsContact OG-CE2 3.28Å; S52-Y75 WeakPolarHBondContact OG-CE2 3.47Å; M71-Y75 WeakPolarHBondContact O-CB 3.43Å; M71-Y75 PolarHBondContact O-N 3.4Å; S72-Y75 PolarHBondContact O-N 3.02Å; V73-Y75 VanDerWaalsContact C-N 3.33Å; V73-Y75 PolarHBondContact O-N 3.48Å; Y75-R77 PolarHBondContact O-N 2.99Å; Y75-T78 WeakPolarHBondContact O-CB 3.37Å; Y75-T78 PolarHBondContact O-N 2.98Å; Y75-L79 HydrophobicContact CD1-CD1 3.86Å; Y75-L79 HydrophobicContact CD1-CG 4.48Å; Y75-L79 HydrophobicContact CD2-CG 4.42Å; Y75-L79 HydrophobicContact CE1-CD1 3.41Å; Y75-L79 VanDerWaalsContact CE1-CD1 3.41Å; Y75-L79 HydrophobicContact CE1-CG 4.19Å; Y75-L79 HydrophobicContact CE2-CD1 4.2Å; Y75-L79 HydrophobicContact CE2-CD2 4.18Å; Y75-L79 HydrophobicContact CE2-CG 4.08Å; Y75-L79 HydrophobicContact CG-CD1 4.43Å; Y75-L79 WeakPolarHBondContact O-CG 3.3Å; Y75-L79 PolarHBondContact O-N 3.49Å
76V88Confident78.2Confident93 Ų9386.3 Ų86.356%0.56444%0.441SS*.Hα-helixtrans-63-40.2177172.50000111.9S72 V73 L79 R80S72-V76 VanDerWaalsContact O-CG2 3.31Å; S72-V76 WeakPolarHBondContact O-CG2 3.26Å; S72-V76 PolarHBondContact O-N 3.28Å; V73-V76 PolarHBondContact O-N 3.38Å; V76-L79 PolarHBondContact O-N 3.27Å; V76-R80 WeakPolarHBondContact O-CB 3.41Å; V76-R80 PolarHBondContact O-N 2.73Å
77R86.2Confident76Confident180 Ų18091.9 Ų91.968%0.67945%0.452SS*.Hα-helixtrans-62.2-44174-76.3-179.4175.6175.21.1111.7V73 Q74 Y75 R80 G81V73-R77 WeakPolarHBondContact O-CB 3.28Å; V73-R77 WeakPolarHBondContact O-CG 3.41Å; V73-R77 PolarHBondContact O-N 3.02Å; Q74-R77 PolarHBondContact O-N 3.23Å; Y75-R77 PolarHBondContact O-N 2.99Å; R77-R80 PolarHBondContact O-N 3.36Å; R77-G81 PolarHBondContact O-N 2.91Å
78T82.5Confident73.6Confident64 Ų6494.9 Ų94.939%0.39348%0.477SS..Hα-helixtrans-62.5-44.7176.3-59.70000110.8Q74 Y75 G81 Q82Q74-T78 WeakPolarHBondContact O-CB 3.48Å; Q74-T78 PolarHBondContact O-N 3.5Å; Q74-T78 PolarHBondContact O-OG1 2.57Å; Y75-T78 WeakPolarHBondContact O-CB 3.37Å; Y75-T78 PolarHBondContact O-N 2.98Å; T78-G81 CarbonylContact O-C 3.48Å; T78-G81 WeakPolarHBondContact O-CA 2.92Å; T78-G81 PolarHBondContact O-N 2.8Å; T78-Q82 HydrophobicContact CG2-CG 4.29Å; T78-Q82 VanDerWaalsContact CG2-NE2 3.3Å; T78-Q82 WeakPolarHBondContact O-CB 3.21Å; T78-Q82 VanDerWaalsContact O-CG 3.27Å; T78-Q82 WeakPolarHBondContact O-CG 3.5Å; T78-Q82 PolarHBondContact O-N 3.33Å
79L83.9Confident71.7Confident68 Ų6899.3 Ų99.336%0.35650%0.5SS..Hα-helixtrans-60.1-48.4175.3-73.9176.9000111.9Y75 V76 G81 Q82 V83Y75-L79 HydrophobicContact CD1-CD1 3.86Å; Y75-L79 HydrophobicContact CD1-CG 4.48Å; Y75-L79 HydrophobicContact CD2-CG 4.42Å; Y75-L79 HydrophobicContact CE1-CD1 3.41Å; Y75-L79 VanDerWaalsContact CE1-CD1 3.41Å; Y75-L79 HydrophobicContact CE1-CG 4.19Å; Y75-L79 HydrophobicContact CE2-CD1 4.2Å; Y75-L79 HydrophobicContact CE2-CD2 4.18Å; Y75-L79 HydrophobicContact CE2-CG 4.08Å; Y75-L79 HydrophobicContact CG-CD1 4.43Å; Y75-L79 WeakPolarHBondContact O-CG 3.3Å; Y75-L79 PolarHBondContact O-N 3.49Å; V76-L79 PolarHBondContact O-N 3.27Å; L79-G81 VanDerWaalsContact C-N 3.27Å; L79-G81 PolarHBondContact O-N 2.85Å; L79-Q82 PolarHBondContact O-N 2.8Å; L79-V83 VanDerWaalsContact O-CG2 3.32Å; L79-V83 WeakPolarHBondContact O-CG2 3.49Å; L79-V83 PolarHBondContact O-N 2.81Å
80R80.9Confident69.8Low198 Ų198100.1 Ų100.175%0.74752%0.521SS*.Hα-helixtrans-61.6-38.8175.7-175.6177.1179-171.80.2111.5V76 R77 S84V76-R80 WeakPolarHBondContact O-CB 3.41Å; V76-R80 PolarHBondContact O-N 2.73Å; R77-R80 PolarHBondContact O-N 3.36Å; R80-S84 WeakPolarHBondContact O-CB 3.38Å; R80-S84 PolarHBondContact O-N 3.37Å; R80-S84 PolarHBondContact O-OG 2.74Å
81G70Confident68.1Low34 Ų34101.9 Ų101.935%0.35153%0.527SS..Hα-helixtrans-66.5-35.5175.400000113.3R77 T78 L79 S84 S85R77-G81 PolarHBondContact O-N 2.91Å; T78-G81 CarbonylContact O-C 3.48Å; T78-G81 WeakPolarHBondContact O-CA 2.92Å; T78-G81 PolarHBondContact O-N 2.8Å; L79-G81 VanDerWaalsContact C-N 3.27Å; L79-G81 PolarHBondContact O-N 2.85Å; G81-S84 CarbonylContact O-C 3.38Å; G81-S84 WeakPolarHBondContact O-CA 3.43Å; G81-S84 WeakPolarHBondContact O-CB 3.42Å; G81-S84 PolarHBondContact O-N 2.72Å; G81-S85 WeakPolarHBondContact O-CA 3.33Å; G81-S85 WeakPolarHBondContact O-CB 3.37Å; G81-S85 PolarHBondContact O-N 3.41Å
82Q58.8Low66.2Low120 Ų120108.2 Ų108.256%0.56155%0.554SS**Hα-helixtrans-76-40.6176.7-74.9179.516.500111.8T78 L79 S84 S85 R86T78-Q82 HydrophobicContact CG2-CG 4.29Å; T78-Q82 VanDerWaalsContact CG2-NE2 3.3Å; T78-Q82 WeakPolarHBondContact O-CB 3.21Å; T78-Q82 VanDerWaalsContact O-CG 3.27Å; T78-Q82 WeakPolarHBondContact O-CG 3.5Å; T78-Q82 PolarHBondContact O-N 3.33Å; L79-Q82 PolarHBondContact O-N 2.8Å; Q82-S84 PolarHBondContact O-N 3.37Å; Q82-S85 CarbonylContact O-C 3.53Å; Q82-S85 PolarHBondContact O-N 2.95Å; Q82-R86 PolarHBondContact O-N 3.35Å
83V55.1Low64.2Low115 Ų115118.5 Ų118.570%0.69759%0.591SS**Hα-helixtrans-59.1-35.2169177.70000109.9L79L79-V83 VanDerWaalsContact O-CG2 3.32Å; L79-V83 WeakPolarHBondContact O-CG2 3.49Å; L79-V83 PolarHBondContact O-N 2.81Å
84S49.8Very low62.5Low33 Ų33120.1 Ų120.123%0.23160%0.601CS.*Hα-helixtrans-76.1-23.7175-73.60000115.8R80 G81 Q82 K92R80-S84 WeakPolarHBondContact O-CB 3.38Å; R80-S84 PolarHBondContact O-N 3.37Å; R80-S84 PolarHBondContact O-OG 2.74Å; G81-S84 CarbonylContact O-C 3.38Å; G81-S84 WeakPolarHBondContact O-CA 3.43Å; G81-S84 WeakPolarHBondContact O-CB 3.42Å; G81-S84 PolarHBondContact O-N 2.72Å; Q82-S84 PolarHBondContact O-N 3.37Å; S84-K92 VanDerWaalsContact CA-CE 3.45Å; S84-K92 WeakPolarHBondContact OG-CE 3.14Å; S84-K92 PolarHBondContact OG-NZ 2.73Å
85S45.9Very low60.4Low83 Ų83124.7 Ų124.758%0.5862%0.619SS**Hα-helixtrans-107.711.7-174.9-159.10000112.7G81 Q82 K87G81-S85 WeakPolarHBondContact O-CA 3.33Å; G81-S85 WeakPolarHBondContact O-CB 3.37Å; G81-S85 PolarHBondContact O-N 3.41Å; Q82-S85 CarbonylContact O-C 3.53Å; Q82-S85 PolarHBondContact O-N 2.95Å; S85-K87 PolarHBondContact O-N 3.28Å
86R50.2Low59Low186 Ų186128.3 Ų128.370%0.70264%0.642SS**  trans-67.760138.9-65.9-167.1-178.5176.31.1109.4Q82 C88 N89Q82-R86 PolarHBondContact O-N 3.35Å; R86-C88 CarbonylContact O-C 3.15Å; R86-C88 PolarHBondContact O-N 3.05Å; R86-N89 WeakPolarHBondContact O-CB 3.39Å; R86-N89 PolarHBondContact O-N 3.24Å; R86-N89 PolarHBondContact O-ND2 3.3Å
87K43.4Very low57.1Low187 Ų187131.8 Ų131.881%0.81365%0.65SS**SBendtrans-69.8104.8150.8-67.4179.2178.7175.60103.1S85S85-K87 PolarHBondContact O-N 3.28Å
88C37.7Very low55.4Low124 Ų124131.5 Ų131.584%0.83865%0.654SS**SBendcis-93.692.937.949.30000116.7R86R86-C88 CarbonylContact O-C 3.15Å; R86-C88 PolarHBondContact O-N 3.05Å
89N50.5Low53.9Low103 Ų103133.2 Ų133.255%0.55166%0.661SS**  trans-144.899.2165.5-85.7-81.9000110.9R86 F91R86-N89 WeakPolarHBondContact O-CB 3.39Å; R86-N89 PolarHBondContact O-N 3.24Å; R86-N89 PolarHBondContact O-ND2 3.3Å; N89-F91 PolarHBondContact O-N 2.75Å
90A53.6Low52.5Low112 Ų112134.3 Ų134.393%0.92667%0.672SS**THydrogen-bonded Turntrans-69.220.1171.100000113.7
91F54Low51.2Low159 Ų159129.4 Ų129.470%0.69767%0.668SS**THydrogen-bonded Turntrans-106.813.9-169.8-136.2-95.8000115.3N89 R93 V94N89-F91 PolarHBondContact O-N 2.75Å; F91-R93 PolarHBondContact O-N 3.38Å; F91-V94 HydrophobicContact CE1-CB 4.27Å; F91-V94 HydrophobicContact CE1-CG2 4.23Å; F91-V94 HydrophobicContact CZ-CG2 4.47Å
92K48.2Very low50.1Low154 Ų154138.8 Ų138.867%0.6770%0.695SS**THydrogen-bonded Turntrans-71.412.5177.2-88.4-169.5172.9-151.20116.3S84S84-K92 VanDerWaalsContact CA-CE 3.45Å; S84-K92 WeakPolarHBondContact OG-CE 3.14Å; S84-K92 PolarHBondContact OG-NZ 2.73Å
93R48.1Very low49.4Very low229 Ų229142.2 Ų142.286%0.86471%0.708SS**THydrogen-bonded Turntrans-104.5-3.8-176.6-145.4-175.5175.3144.80.8116.1F91F91-R93 PolarHBondContact O-N 3.38Å
94V54.8Low49Very low101 Ų101145.3 Ų145.361%0.61272%0.715SS**SBendtrans-113.6-14.1-169.4-1740000115.3F91 I96F91-V94 HydrophobicContact CE1-CB 4.27Å; F91-V94 HydrophobicContact CE1-CG2 4.23Å; F91-V94 HydrophobicContact CZ-CG2 4.47Å; V94-I96 PolarHBondContact O-N 3.22Å
95F41.4Very low48.8Very low196 Ų196152.7 Ų152.786%0.8675%0.746SS**  trans-8839.6-174.6-139.5-95.4000115.2F97F95-F97 PolarHBondContact O-N 2.78Å
96I55.7Low49Very low155 Ų155154.6 Ų154.680%0.79575%0.754SS**  trans-91.936.8165.8-35.5-164.7000109.3V94 F98V94-I96 PolarHBondContact O-N 3.22Å; I96-F98 PolarHBondContact O-N 2.67Å; I96-F98 VanDerWaalsContact O-N 3.09Å
97F48.5Very low49.3Very low167 Ų167155.3 Ų155.373%0.73276%0.762SS**  trans-86.960.4175-151-91.5000109.2F95F95-F97 PolarHBondContact O-N 2.78Å
98F50.7Low49.7Very low174 Ų174153.9 Ų153.976%0.76376%0.76SS**  trans-95.989.6160.8-178.5-100000105.1I96 P100I96-F98 PolarHBondContact O-N 2.67Å; I96-F98 VanDerWaalsContact O-N 3.09Å; F98-P100 HydrophobicContact CD1-CG 4.24Å; F98-P100 HydrophobicContact CE1-CB 4.29Å; F98-P100 HydrophobicContact CE1-CG 4.42Å; F98-P100 WeakPolarHBondContact O-CD 3.24Å
99D50.7Low50.8Low99 Ų99154 Ų15453%0.52976%0.759SS.*  trans-76.5112.5173.6-161.5-36.8000108.2S101D99-S101 PolarHBondContact O-N 2.94Å; D99-S101 WeakPolarHBondContact OD1-CB 3.29Å; D99-S101 PolarHBondContact OD1-N 2.76Å; D99-S101 PolarHBondContact OD1-OG 3.06Å
100P54.4Low50.9Low91 Ų91156.3 Ų156.359%0.59177%0.771SS**  trans-80.814.4-175.3-5.324.9000113.6F98 Y102F98-P100 HydrophobicContact CD1-CG 4.24Å; F98-P100 HydrophobicContact CE1-CB 4.29Å; F98-P100 HydrophobicContact CE1-CG 4.42Å; F98-P100 WeakPolarHBondContact O-CD 3.24Å; P100-Y102 PolarHBondContact O-N 3.03Å
101S53.3Low51.1Low96 Ų96158.5 Ų158.567%0.67177%0.767SS**THydrogen-bonded Turntrans-72.415.5-172.940.70000115.8D99D99-S101 PolarHBondContact O-N 2.94Å; D99-S101 WeakPolarHBondContact OD1-CB 3.29Å; D99-S101 PolarHBondContact OD1-N 2.76Å; D99-S101 PolarHBondContact OD1-OG 3.06Å
102Y47.8Very low51.9Low230 Ų230159.4 Ų159.490%0.90278%0.776SS**THydrogen-bonded Turntrans-108.533.6170.8-145.8-96.5000113.7P100P100-Y102 PolarHBondContact O-N 3.03Å
103F44Very low52.2Low193 Ų193157.9 Ų157.985%0.84678%0.782SS**  trans-13651.2174.9-160.8-103.3000112.7
104Q45.4Very low52.5Low179 Ų179152.6 Ų152.684%0.83678%0.78SS**  trans-150.662.6174.5-158.2133.523.700114.9
105E46.7Very low52.6Low188 Ų188159.6 Ų159.688%0.87981%0.812SS**  trans-141107.7158.5-101.4162.183.900103.7
106T49.8Very low53.2Low124 Ų124157.8 Ų157.876%0.76181%0.81SS**  -162.610755.950.40000108.7
107K57.5Low53.1Low201 Ų201157.9 Ų157.987%0.87481%0.811SS**  trans-96.393.6166.5-166.2-171.1-177.5-153.90107.6P109K107-P109 VanDerWaalsContact O-CD 3.29Å; K107-P109 WeakPolarHBondContact O-CD 3.38Å
108M51.5Low53.3Low156 Ų156157.4 Ų157.477%0.76882%0.815SS**  trans-59.4117.4171.8-69.8-86.4-81.700109.2L110M108-L110 PolarHBondContact O-N 3.1Å
109P60.8Low53.5Low126 Ų126156.4 Ų156.482%0.81882%0.818SS**  trans-79105.2171.729.6-28.2000109K107K107-P109 VanDerWaalsContact O-CD 3.29Å; K107-P109 WeakPolarHBondContact O-CD 3.38Å
110L52.1Low53.6Low153 Ų153160 Ų16080%0.80184%0.836SS**  trans-96.383.5164.4-72.9172.6000107.6M108M108-L110 PolarHBondContact O-N 3.1Å
111D56.9Low53.6Low158 Ų158164.6 Ų164.685%0.84585%0.853SS**  trans-141.696.3154.4-105.6-41.8000107.2P113D111-P113 WeakPolarHBondContact O-CD 3.11Å
112M71Confident53.6Low177 Ų177169.5 Ų169.587%0.87287%0.866SS**PPolyproline II helixtrans-74.7116.8169.1-87-75.9-138.600107.4S114M112-S114 PolarHBondContact O-N 3.39Å
113P54.6Low54.1Low122 Ų122164.8 Ų164.879%0.79286%0.863SS**PPolyproline II helixtrans-72124.2173.127.8-30.9000110D111D111-P113 WeakPolarHBondContact O-CD 3.11Å
114S55.4Low54.9Low119 Ų119162.5 Ų162.583%0.83286%0.864SS**PPolyproline II helixtrans-62.6133.3169.2-45.40000111.1M112M112-S114 PolarHBondContact O-N 3.39Å
115L56.9Low55.8Low247 Ų247161 Ų161100%1.29387%0.867SS**  trans-144.80154-110160.8000108.2

Retrieved 115 of 115 residues in 24.1 ms (Link to these results)