G4VA94_SCHMA Loading...

Mitochondrial intermembrane space import and assembly protein 40

AlphaFold DB , UniProt , Accession G4VA94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 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
1M44.6Very low74.2Confident243 Ų243153.5 Ų153.5100%1.19781%0.809SS**  0106.80-74.3173.4157.600107.3N3M1-N3 PolarHBondContact O-N 3.44Å
2S59.4Low75.6Confident124 Ų124149.5 Ų149.587%0.86779%0.787SS**PPolyproline II helixtrans-75.3122.1177.9-48.10000108.3
3N62.1Low77.1Confident154 Ų154143.5 Ų143.582%0.82476%0.76SS**PPolyproline II helixtrans-57.7134174.3-91.2-30000109.4M1 I5M1-N3 PolarHBondContact O-N 3.44Å; N3-I5 PolarHBondContact O-N 2.81Å
4P66.4Low78.2Confident115 Ų115147.3 Ų147.375%0.74776%0.759SS**PPolyproline II helixtrans-61134.6176.423.9-30.5000109.3K6P4-K6 PolarHBondContact O-N 2.76Å
5I71.5Confident79.1Confident149 Ų149146.7 Ų146.776%0.76475%0.752SS**  trans-58.4109.1177.5-59.6173.2000107.1N3 H7N3-I5 PolarHBondContact O-N 2.81Å; I5-H7 PolarHBondContact O-N 3.33Å
6K77.3Confident79.9Confident198 Ų198145.1 Ų145.186%0.86174%0.74SS**  trans-79.5111.5174-154.2177.4-175.9-174.10106.1P4 D8P4-K6 PolarHBondContact O-N 2.76Å; K6-D8 PolarHBondContact O-N 3.37Å
7H80.9Confident80.4Confident167 Ų167140.2 Ų140.277%0.77373%0.727SS**  trans-62.3128.1170-66.8-69.5000108.2I5I5-H7 PolarHBondContact O-N 3.33Å
8D85.9Confident80.7Confident150 Ų150139.2 Ų139.280%0.80272%0.718SS**  trans-102.3137.6172.5-150.6-7.4000108.4K6K6-D8 PolarHBondContact O-N 3.37Å
9V87.4Confident80.9Confident99 Ų99136.7 Ų136.760%0.671%0.714SS**  trans-115.9109.5-178.3-179.10000107.5F11V9-F11 HydrophobicContact CB-CE2 4.45Å; V9-F11 HydrophobicContact CG1-CD2 4.38Å; V9-F11 HydrophobicContact CG1-CE1 4.45Å; V9-F11 HydrophobicContact CG1-CE2 3.81Å; V9-F11 HydrophobicContact CG1-CZ 3.85Å
10T88.3Confident81Confident110 Ų110137.4 Ų137.468%0.67572%0.724SS**  trans-91.1122.5174.9-50.10000109.5L12T10-L12 HydrophobicContact CG2-CD2 3.85Å; T10-L12 HydrophobicContact CG2-CG 4.29Å
11F92.5Very high81Confident179 Ų179133.9 Ų133.979%0.78571%0.706SS**  trans-93.1126.4168.8-63.9-88.4000108.3V9V9-F11 HydrophobicContact CB-CE2 4.45Å; V9-F11 HydrophobicContact CG1-CD2 4.38Å; V9-F11 HydrophobicContact CG1-CE1 4.45Å; V9-F11 HydrophobicContact CG1-CE2 3.81Å; V9-F11 HydrophobicContact CG1-CZ 3.85Å
12L90.8Very high82.9Confident106 Ų106129.9 Ų129.956%0.55568%0.677SS**  trans-111.8138.2174.8-60.4176000108.6T10 E16 A17T10-L12 HydrophobicContact CG2-CD2 3.85Å; T10-L12 HydrophobicContact CG2-CG 4.29Å; L12-E16 HydrophobicContact CB-CB 4.13Å; L12-E16 HydrophobicContact CD2-CB 4.07Å; L12-A17 HydrophobicContact CB-CB 4.27Å; L12-A17 HydrophobicContact CD1-CB 4.43Å
13T95.4Very high83.7Confident71 Ų71129 Ų12944%0.43666%0.662SS.*  trans-64164.6160.459.30000110E15 E16 A17T13-E15 PolarHBondContact O-N 3.44Å; T13-E16 WeakPolarHBondContact CB-OE2 3.16Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.1Å; T13-E16 PolarHBondContact N-OE2 3.05Å; T13-E16 PolarHBondContact O-N 3.42Å; T13-E16 WeakPolarHBondContact OG1-CB 3.43Å; T13-E16 WeakPolarHBondContact OG1-CG 3.36Å; T13-E16 PolarHBondContact OG1-N 2.88Å; T13-E16 PolarHBondContact OG1-OE2 3.36Å; T13-A17 WeakPolarHBondContact O-CB 3.41Å; T13-A17 PolarHBondContact O-N 3.06Å
14R91.5Very high84.3Confident197 Ų197127.5 Ų127.574%0.74365%0.65SS**THydrogen-bonded Turntrans-58.6-41.2177.5-177.4176.9-177.4162.61.6110.8A17 H18R14-A17 PolarHBondContact O-N 3.42Å; R14-H18 PolarHBondContact O-CD2 3.32Å; R14-H18 PolarHBondContact O-N 3.48Å
15E92.6Very high84.9Confident138 Ų138123.9 Ų123.965%0.64562%0.624SS**THydrogen-bonded Turntrans-66.1-41.1179.7-64.469.8-154.400111.7T13 A17 H18T13-E15 PolarHBondContact O-N 3.44Å; E15-A17 VanDerWaalsContact C-N 3.32Å; E15-H18 WeakPolarHBondContact O-CB 3.41Å; E15-H18 PolarHBondContact O-N 3.22Å
16E91.3Very high84.9Confident121 Ų121123.1 Ų123.157%0.56561%0.613SS**THydrogen-bonded Turntrans-70.3-28.3175.4-70.9164.1141.300112.9L12 T13 H18L12-E16 HydrophobicContact CB-CB 4.13Å; L12-E16 HydrophobicContact CD2-CB 4.07Å; T13-E16 WeakPolarHBondContact CB-OE2 3.16Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.1Å; T13-E16 PolarHBondContact N-OE2 3.05Å; T13-E16 PolarHBondContact O-N 3.42Å; T13-E16 WeakPolarHBondContact OG1-CB 3.43Å; T13-E16 WeakPolarHBondContact OG1-CG 3.36Å; T13-E16 PolarHBondContact OG1-N 2.88Å; T13-E16 PolarHBondContact OG1-OE2 3.36Å; E16-H18 PolarHBondContact O-N 3.35Å
17A88Confident84.4Confident63 Ų63121.5 Ų121.552%0.52160%0.603SS.*THydrogen-bonded Turntrans-75.3-9175.800000113.2L12 T13 R14 E15 S19L12-A17 HydrophobicContact CB-CB 4.27Å; L12-A17 HydrophobicContact CD1-CB 4.43Å; T13-A17 WeakPolarHBondContact O-CB 3.41Å; T13-A17 PolarHBondContact O-N 3.06Å; R14-A17 PolarHBondContact O-N 3.42Å; E15-A17 VanDerWaalsContact C-N 3.32Å; A17-S19 PolarHBondContact O-N 3.03Å
18H87.2Confident83.9Confident122 Ų122116.8 Ų116.857%0.56558%0.583SS**SBendtrans-68.5127.8175.2-76.5-156.7000110.4R14 E15 E16 T20R14-H18 PolarHBondContact O-CD2 3.32Å; R14-H18 PolarHBondContact O-N 3.48Å; E15-H18 WeakPolarHBondContact O-CB 3.41Å; E15-H18 PolarHBondContact O-N 3.22Å; E16-H18 PolarHBondContact O-N 3.35Å; H18-T20 PolarHBondContact O-N 3.48Å
19S83Confident83.2Confident91 Ų91112.4 Ų112.464%0.63656%0.559SS**  trans-60.3123.7173.7177.20000110.5A17 L21A17-S19 PolarHBondContact O-N 3.03Å; S19-L21 WeakPolarHBondContact OG-CB 3.43Å; S19-L21 PolarHBondContact OG-N 3Å; S19-L21 VanDerWaalsContact OG-N 3.12Å; S19-L21 PolarHBondContact OG-O 3.31Å
20T84Confident82.3Confident150 Ų150109.4 Ų109.492%0.9254%0.54SS*.SBendtrans-74.1-17.2167.354.80000112H18H18-T20 PolarHBondContact O-N 3.48Å
21L81.5Confident81.3Confident64 Ų64113.8 Ų113.834%0.33554%0.544SS..SBendtrans-78.6124.3173.9-171.268.1000109.3S19 D25 Y26 I29S19-L21 WeakPolarHBondContact OG-CB 3.43Å; S19-L21 PolarHBondContact OG-N 3Å; S19-L21 VanDerWaalsContact OG-N 3.12Å; S19-L21 PolarHBondContact OG-O 3.31Å; L21-D25 HydrophobicContact CD1-CB 3.57Å; L21-D25 HydrophobicContact CG-CB 4.24Å; L21-Y26 HydrophobicContact CD2-CD2 3.88Å; L21-Y26 HydrophobicContact CD2-CG 4.36Å; L21-I29 HydrophobicContact CD2-CD1 4.23Å
22R82.8Confident80.3Confident160 Ų160110.7 Ų110.760%0.60453%0.53SS*.  trans-69.8150.2172.2-59.8-179.4-64.5177.13.5109.8E24 D25 Y26R22-E24 WeakPolarHBondContact CB-OE2 3.31Å; R22-E24 PolarHBondContact O-N 3.34Å; R22-D25 IonicContact CZ-OD2 3.25Å; R22-D25 VanDerWaalsContact CZ-OD2 3.25Å; R22-D25 IonicContact NE-OD2 2.81Å; R22-D25 PolarHBondContact NE-OD2 3.01Å; R22-D25 IonicContact NH2-OD1 3.57Å; R22-D25 IonicContact NH2-OD2 2.82Å; R22-D25 PolarHBondContact NH2-OD2 3.11Å; R22-D25 PolarHBondContact O-N 3.43Å; R22-Y26 PolarHBondContact O-N 3.27Å
23L76.9Confident79.3Confident104 Ų104113.2 Ų113.255%0.54554%0.537SS..Hα-helixtrans-61.5-35.1-175.9-169.469.2000111.8D25 Y26 Y27L23-D25 VanDerWaalsContact C-N 3.33Å; L23-D25 PolarHBondContact O-N 2.91Å; L23-Y26 WeakPolarHBondContact O-CB 3.35Å; L23-Y26 PolarHBondContact O-N 2.96Å; L23-Y27 HydrophobicContact CD1-CE2 4.1Å; L23-Y27 HydrophobicContact CD2-CE2 4.09Å; L23-Y27 HydrophobicContact CG-CD2 4.35Å; L23-Y27 HydrophobicContact CG-CE2 3.65Å; L23-Y27 WeakPolarHBondContact O-CD2 3.29Å; L23-Y27 PolarHBondContact O-N 3.2Å
24E75.7Confident78.1Confident123 Ų123111.4 Ų111.458%0.57553%0.527SS*.Hα-helixtrans-66.1-37.6176.9-54.274.6-158.400111.4R22 Y26 D28R22-E24 WeakPolarHBondContact CB-OE2 3.31Å; R22-E24 PolarHBondContact O-N 3.34Å; E24-Y26 VanDerWaalsContact C-N 3.33Å; E24-D28 PolarHBondContact O-N 3.02Å
25D77.9Confident77Confident39 Ų39108.6 Ų108.621%0.20952%0.52CS..Hα-helixtrans-72.5-29.1176.8-68.3-50.2000111.9L21 R22 L23 D28 I29 K32L21-D25 HydrophobicContact CD1-CB 3.57Å; L21-D25 HydrophobicContact CG-CB 4.24Å; R22-D25 IonicContact CZ-OD2 3.25Å; R22-D25 VanDerWaalsContact CZ-OD2 3.25Å; R22-D25 IonicContact NE-OD2 2.81Å; R22-D25 PolarHBondContact NE-OD2 3.01Å; R22-D25 IonicContact NH2-OD1 3.57Å; R22-D25 IonicContact NH2-OD2 2.82Å; R22-D25 PolarHBondContact NH2-OD2 3.11Å; R22-D25 PolarHBondContact O-N 3.43Å; L23-D25 VanDerWaalsContact C-N 3.33Å; L23-D25 PolarHBondContact O-N 2.91Å; D25-D28 PolarHBondContact O-N 3.42Å; D25-I29 WeakPolarHBondContact O-CB 3.09Å; D25-I29 PolarHBondContact O-N 3.34Å; D25-K32 IonicContact OD1-NZ 3.36Å; D25-K32 PolarHBondContact OD1-NZ 3.14Å
26Y72.4Confident76Confident133 Ų133107.9 Ų107.952%0.52253%0.528SS..Hα-helixtrans-64.1-45.1175178-100.5000112.4L21 R22 L23 E24 D28 I29L21-Y26 HydrophobicContact CD2-CD2 3.88Å; L21-Y26 HydrophobicContact CD2-CG 4.36Å; R22-Y26 PolarHBondContact O-N 3.27Å; L23-Y26 WeakPolarHBondContact O-CB 3.35Å; L23-Y26 PolarHBondContact O-N 2.96Å; E24-Y26 VanDerWaalsContact C-N 3.33Å; Y26-D28 VanDerWaalsContact C-N 3.27Å; Y26-D28 PolarHBondContact O-N 2.86Å; Y26-I29 VanDerWaalsContact O-CG2 3.22Å; Y26-I29 WeakPolarHBondContact O-CG2 3.45Å; Y26-I29 PolarHBondContact O-N 3.36Å
27Y66.5Low75.1Confident165 Ų165104.2 Ų104.265%0.64752%0.522SS*.Hα-helixtrans-67.6-28.7179-67.1-60.2000113.3L23L23-Y27 HydrophobicContact CD1-CE2 4.1Å; L23-Y27 HydrophobicContact CD2-CE2 4.09Å; L23-Y27 HydrophobicContact CG-CD2 4.35Å; L23-Y27 HydrophobicContact CG-CE2 3.65Å; L23-Y27 WeakPolarHBondContact O-CD2 3.29Å; L23-Y27 PolarHBondContact O-N 3.2Å
28D70.4Confident74.5Confident67 Ų67106.2 Ų106.236%0.35852%0.519SS..Hα-helixtrans-90.3-10.2179-83.9-15.2000113.9E24 D25 Y26 D30 R31 K32E24-D28 PolarHBondContact O-N 3.02Å; D25-D28 PolarHBondContact O-N 3.42Å; Y26-D28 VanDerWaalsContact C-N 3.27Å; Y26-D28 PolarHBondContact O-N 2.86Å; D28-D30 VanDerWaalsContact C-N 3.32Å; D28-D30 PolarHBondContact O-N 3.45Å; D28-R31 CarbonylContact O-C 3.57Å; D28-R31 PolarHBondContact O-N 3.23Å; D28-K32 HydrophobicContact CB-CD 4.02Å; D28-K32 HydrophobicContact CB-CG 4.36Å; D28-K32 WeakPolarHBondContact O-CB 3.44Å; D28-K32 WeakPolarHBondContact O-CG 3.34Å; D28-K32 PolarHBondContact O-N 2.53Å; D28-K32 IonicContact OD2-NZ 3.65Å
29I71.8Confident74.2Confident59 Ų59104 Ų10430%0.30351%0.506SS..Hα-helixtrans-59.9-44.2-170.3-157.9171.4000111.3L21 D25 Y26 R31 K32 F33L21-I29 HydrophobicContact CD2-CD1 4.23Å; D25-I29 WeakPolarHBondContact O-CB 3.09Å; D25-I29 PolarHBondContact O-N 3.34Å; Y26-I29 VanDerWaalsContact O-CG2 3.22Å; Y26-I29 WeakPolarHBondContact O-CG2 3.45Å; Y26-I29 PolarHBondContact O-N 3.36Å; I29-R31 VanDerWaalsContact C-N 3.32Å; I29-R31 PolarHBondContact O-N 3.16Å; I29-K32 PolarHBondContact O-N 3.41Å; I29-F33 HydrophobicContact CB-CD2 4.5Å; I29-F33 HydrophobicContact CG1-CD2 3.51Å; I29-F33 HydrophobicContact CG1-CE2 3.92Å; I29-F33 WeakPolarHBondContact O-CB 3.35Å; I29-F33 VanDerWaalsContact O-CD2 3.32Å; I29-F33 WeakPolarHBondContact O-CD2 3.49Å; I29-F33 PolarHBondContact O-N 2.91Å
30D68.5Low74.1Confident35 Ų35101.2 Ų101.219%0.18749%0.485CS..Hα-helixtrans-66-37.9177.8-74.2-33.5000110.7D28 K32 S34 H48 S53D28-D30 VanDerWaalsContact C-N 3.32Å; D28-D30 PolarHBondContact O-N 3.45Å; D30-K32 PolarHBondContact O-N 3.39Å; D30-S34 WeakPolarHBondContact O-CA 3.22Å; D30-S34 WeakPolarHBondContact O-CB 2.98Å; D30-S34 PolarHBondContact O-N 3.33Å; D30-S34 PolarHBondContact O-OG 2.75Å; D30-H48 WeakPolarHBondContact CB-O 3.45Å; D30-H48 IonicContact OD1-CG 3.98Å; D30-H48 IonicContact OD1-ND1 3.36Å; D30-H48 PolarHBondContact OD1-ND1 3.02Å; D30-S53 VanDerWaalsContact OD2-CB 3.27Å; D30-S53 WeakPolarHBondContact OD2-CB 3.46Å; D30-S53 PolarHBondContact OD2-OG 3.35Å
31R67.2Low74Confident202 Ų202104 Ų10476%0.76249%0.488SS*.Hα-helixtrans-67.5-36.9175.8-172.8178.3176.5177.60.5112.7D28 I29D28-R31 CarbonylContact O-C 3.57Å; D28-R31 PolarHBondContact O-N 3.23Å; I29-R31 VanDerWaalsContact C-N 3.32Å; I29-R31 PolarHBondContact O-N 3.16Å
32K70.7Confident74.2Confident115 Ų115106.1 Ų106.150%0.550%0.499SS..Hα-helixtrans-78.9-37.4-177.2-73.3172.1-179.3161.30112.7D25 D28 I29 D30D25-K32 IonicContact OD1-NZ 3.36Å; D25-K32 PolarHBondContact OD1-NZ 3.14Å; D28-K32 HydrophobicContact CB-CD 4.02Å; D28-K32 HydrophobicContact CB-CG 4.36Å; D28-K32 WeakPolarHBondContact O-CB 3.44Å; D28-K32 WeakPolarHBondContact O-CG 3.34Å; D28-K32 PolarHBondContact O-N 2.53Å; D28-K32 IonicContact OD2-NZ 3.65Å; I29-K32 PolarHBondContact O-N 3.41Å; D30-K32 PolarHBondContact O-N 3.39Å
33F71.1Confident74Confident158 Ų158100.1 Ų100.169%0.69349%0.487SS*.Hα-helixtrans-113.9-10.9-170.2-64.1-80.3000114.4I29 K35I29-F33 HydrophobicContact CB-CD2 4.5Å; I29-F33 HydrophobicContact CG1-CD2 3.51Å; I29-F33 HydrophobicContact CG1-CE2 3.92Å; I29-F33 WeakPolarHBondContact O-CB 3.35Å; I29-F33 VanDerWaalsContact O-CD2 3.32Å; I29-F33 WeakPolarHBondContact O-CD2 3.49Å; I29-F33 PolarHBondContact O-N 2.91Å; F33-K35 PolarHBondContact O-N 2.91Å
34S68.3Low74.3Confident33 Ų33101.2 Ų101.223%0.23149%0.489CS..PPolyproline II helixtrans-65.8136.1174.967.30000110.9D30 H48D30-S34 WeakPolarHBondContact O-CA 3.22Å; D30-S34 WeakPolarHBondContact O-CB 2.98Å; D30-S34 PolarHBondContact O-N 3.33Å; D30-S34 PolarHBondContact O-OG 2.75Å; S34-H48 WeakPolarHBondContact CB-O 3.41Å
35K70.2Confident74.4Confident138 Ų13896.4 Ų96.460%0.647%0.467SS*.PPolyproline II helixtrans-65.7154167.1-64.8-178.4178.6-176.10108.4F33 T40 N46F33-K35 PolarHBondContact O-N 2.91Å; K35-T40 HydrophobicContact CD-CG2 4.22Å; K35-N46 PolarHBondContact O-ND2 3.34Å
36P71.1Confident74.5Confident124 Ų12494.9 Ų94.981%0.80546%0.459SS*.SBendtrans-67.3151.1171.827.5-33.8000111.2
37G72.1Confident74.9Confident43 Ų4392 Ų9244%0.44345%0.447SS..SBendtrans88.8162.5171.500000115.7R39 N46G37-R39 VanDerWaalsContact C-N 3.32Å; G37-N46 WeakPolarHBondContact O-CB 3.28Å; G37-N46 PolarHBondContact O-ND2 3.1Å
38F75.4Confident75.4Confident105 Ų10589.4 Ų89.446%0.46144%0.44SS..SBendtrans-72.6-25.8-179-173.5-117.8000113.3F45 N46 V52 M68F38-F45 HydrophobicContact CD1-CD1 4.16Å; F38-F45 HydrophobicContact CD1-CE1 4.16Å; F38-F45 AromaticContact CE1-CD1 3.73Å; F38-F45 HydrophobicContact CE1-CD1 3.73Å; F38-F45 AromaticContact CE1-CE1 3.47Å; F38-F45 HydrophobicContact CE1-CE1 3.47Å; F38-F45 VanDerWaalsContact CE1-CE1 3.47Å; F38-F45 AromaticContact CZ-CD1 3.99Å; F38-F45 HydrophobicContact CZ-CD1 3.99Å; F38-F45 AromaticContact CZ-CE1 3.95Å; F38-F45 HydrophobicContact CZ-CE1 3.95Å; F38-N46 PolarHBondContact O-N 3.06Å; F38-V52 HydrophobicContact CD2-CG2 3.59Å; F38-V52 HydrophobicContact CE2-CG2 3.53Å; F38-M68 HydrophobicContact CE1-CE 3.87Å; F38-M68 HydrophobicContact CE2-CE 4.2Å; F38-M68 HydrophobicContact CZ-CE 3.27Å; F38-M68 HydrophobicContact CZ-SD 4.37Å
39R79.8Confident75.8Confident77 Ų7787.3 Ų87.329%0.29143%0.431SS..BIsolated β-bridgetrans-128.7148.9177.5-68.1-174.2-177.7-126.82.3111.2G37 G43 Q44 F45 D72G37-R39 VanDerWaalsContact C-N 3.32Å; R39-G43 PolarHBondContact NH1-O 2.94Å; R39-Q44 CarbonylContact C-O 3.59Å; R39-Q44 WeakPolarHBondContact CA-O 3.45Å; R39-Q44 WeakPolarHBondContact CB-O 3.13Å; R39-F45 HydrophobicContact CG-CD1 4.41Å; R39-D72 IonicContact CZ-OD1 3.4Å; R39-D72 IonicContact CZ-OD2 3.88Å; R39-D72 IonicContact NH1-OD1 3.42Å; R39-D72 PolarHBondContact NH1-OD1 3.12Å; R39-D72 IonicContact NH1-OD2 3.78Å; R39-D72 PolarHBondContact NH1-OD2 3.4Å; R39-D72 VanDerWaalsContact NH2-CG 3.28Å; R39-D72 IonicContact NH2-OD1 3.54Å; R39-D72 PolarHBondContact NH2-OD1 3.11Å; R39-D72 IonicContact NH2-OD2 3.98Å; R39-D72 PolarHBondContact NH2-OD2 3.35Å
40T82.1Confident75.8Confident32 Ų3287.9 Ų87.920%0.19644%0.44CS..  trans-76.6164.916845.70000110.8K35 N42 G43 Q44 N46K35-T40 HydrophobicContact CD-CG2 4.22Å; T40-N42 WeakPolarHBondContact CB-OD1 3.27Å; T40-N42 PolarHBondContact O-N 2.85Å; T40-N42 VanDerWaalsContact O-N 3.13Å; T40-N42 PolarHBondContact OG1-OD1 3.35Å; T40-G43 WeakPolarHBondContact O-CA 3.45Å; T40-G43 PolarHBondContact O-N 3.47Å; T40-Q44 PolarHBondContact N-O 3.25Å; T40-Q44 PolarHBondContact OG1-N 3Å; T40-Q44 PolarHBondContact OG1-O 2.95Å; T40-Q44 VanDerWaalsContact OG1-O 3.07Å; T40-N46 HydrophobicContact CG2-CB 4.39Å
41E81.7Confident76Confident209 Ų20989.8 Ų89.898%0.97746%0.455SS*.THydrogen-bonded Turntrans-57.4-27.7-179.9-65.6174.4179.300113.6G43E41-G43 PolarHBondContact O-N 2.99Å
42N85.2Confident76.5Confident108 Ų10880.3 Ų80.358%0.57842%0.42SS*.THydrogen-bonded Turntrans-81.45.2174.670.7-4.7000113.9T40 Q44T40-N42 WeakPolarHBondContact CB-OD1 3.27Å; T40-N42 PolarHBondContact O-N 2.85Å; T40-N42 VanDerWaalsContact O-N 3.13Å; T40-N42 PolarHBondContact OG1-OD1 3.35Å; N42-Q44 VanDerWaalsContact C-N 3.35Å; N42-Q44 PolarHBondContact ND2-OE1 2.84Å; N42-Q44 VanDerWaalsContact ND2-OE1 3.1Å; N42-Q44 PolarHBondContact O-N 3.47Å; N42-Q44 WeakPolarHBondContact OD1-CB 3.43Å; N42-Q44 WeakPolarHBondContact OD1-CG 3.36Å; N42-Q44 PolarHBondContact OD1-N 2.8Å
43G80.1Confident76.8Confident34 Ų3475.6 Ų75.635%0.35140%0.401SS..SBendtrans82.5-0.2177.600000116.1R39 T40 E41R39-G43 PolarHBondContact NH1-O 2.94Å; T40-G43 WeakPolarHBondContact O-CA 3.45Å; T40-G43 PolarHBondContact O-N 3.47Å; E41-G43 PolarHBondContact O-N 2.99Å
44Q81.9Confident77.2Confident126 Ų12670.4 Ų70.459%0.58939%0.385SS*.  trans-74.4156.5174.9-63.8179.5-2600111.5R39 T40 N42R39-Q44 CarbonylContact C-O 3.59Å; R39-Q44 WeakPolarHBondContact CA-O 3.45Å; R39-Q44 WeakPolarHBondContact CB-O 3.13Å; T40-Q44 PolarHBondContact N-O 3.25Å; T40-Q44 PolarHBondContact OG1-N 3Å; T40-Q44 PolarHBondContact OG1-O 2.95Å; T40-Q44 VanDerWaalsContact OG1-O 3.07Å; N42-Q44 VanDerWaalsContact C-N 3.35Å; N42-Q44 PolarHBondContact ND2-OE1 2.84Å; N42-Q44 VanDerWaalsContact ND2-OE1 3.1Å; N42-Q44 PolarHBondContact O-N 3.47Å; N42-Q44 WeakPolarHBondContact OD1-CB 3.43Å; N42-Q44 WeakPolarHBondContact OD1-CG 3.36Å; N42-Q44 PolarHBondContact OD1-N 2.8Å
45F78.5Confident77.9Confident22 Ų2270 Ų7010%0.09638%0.378CS..BIsolated β-bridgetrans-66.7135.2173-66.5-67.9000110.9F38 R39 W47 M68 I71F38-F45 HydrophobicContact CD1-CD1 4.16Å; F38-F45 HydrophobicContact CD1-CE1 4.16Å; F38-F45 AromaticContact CE1-CD1 3.73Å; F38-F45 HydrophobicContact CE1-CD1 3.73Å; F38-F45 AromaticContact CE1-CE1 3.47Å; F38-F45 HydrophobicContact CE1-CE1 3.47Å; F38-F45 VanDerWaalsContact CE1-CE1 3.47Å; F38-F45 AromaticContact CZ-CD1 3.99Å; F38-F45 HydrophobicContact CZ-CD1 3.99Å; F38-F45 AromaticContact CZ-CE1 3.95Å; F38-F45 HydrophobicContact CZ-CE1 3.95Å; R39-F45 HydrophobicContact CG-CD1 4.41Å; F45-W47 VanDerWaalsContact C-N 3.34Å; F45-W47 HydrophobicContact CB-CD2 4.03Å; F45-W47 HydrophobicContact CB-CE3 4.41Å; F45-W47 HydrophobicContact CB-CH2 4.3Å; F45-W47 HydrophobicContact CB-CZ2 3.87Å; F45-W47 HydrophobicContact CD2-CH2 4.12Å; F45-W47 AromaticContact CD2-CZ2 3.86Å; F45-W47 HydrophobicContact CD2-CZ2 3.86Å; F45-W47 HydrophobicContact CG-CH2 4.39Å; F45-W47 HydrophobicContact CG-CZ2 4.22Å; F45-W47 PolarHBondContact O-N 3.37Å; F45-W47 VanDerWaalsContact O-N 3.11Å; F45-M68 HydrophobicContact CD1-CE 3.57Å; F45-M68 HydrophobicContact CD2-CE 4.48Å; F45-M68 HydrophobicContact CE1-CE 3.2Å; F45-M68 HydrophobicContact CE2-CE 4.19Å; F45-M68 WeakPolarHBondContact CE2-O 3.26Å; F45-M68 HydrophobicContact CG-CE 4.23Å; F45-M68 HydrophobicContact CZ-CE 3.59Å; F45-M68 WeakPolarHBondContact CZ-O 3.37Å; F45-I71 HydrophobicContact CE1-CG2 4.05Å; F45-I71 HydrophobicContact CE2-CG2 4.18Å; F45-I71 HydrophobicContact CZ-CG2 3.33Å
46N80.7Confident78.7Confident8 Ų864.6 Ų64.64%0.04336%0.356CS..  trans-8383.5169.6-178.714.6000109.6K35 G37 F38 T40 H48 C49K35-N46 PolarHBondContact O-ND2 3.34Å; G37-N46 WeakPolarHBondContact O-CB 3.28Å; G37-N46 PolarHBondContact O-ND2 3.1Å; F38-N46 PolarHBondContact O-N 3.06Å; T40-N46 HydrophobicContact CG2-CB 4.39Å; N46-H48 PolarHBondContact O-N 2.9Å; N46-H48 VanDerWaalsContact O-N 3.09Å; N46-H48 PolarHBondContact OD1-N 3.43Å; N46-C49 HydrophobicContact CB-CB 4.35Å; N46-C49 WeakPolarHBondContact O-CB 3.23Å; N46-C49 PolarHBondContact O-N 3.32Å; N46-C49 PolarHBondContact OD1-N 3.05Å
47W78.9Confident79.3Confident71 Ų7162.1 Ų62.127%0.26934%0.341SS..THydrogen-bonded Turntrans-60.2-19.3-178.6-58.9109.3000114.1F45 V52 I56 R65 M68F45-W47 VanDerWaalsContact C-N 3.34Å; F45-W47 HydrophobicContact CB-CD2 4.03Å; F45-W47 HydrophobicContact CB-CE3 4.41Å; F45-W47 HydrophobicContact CB-CH2 4.3Å; F45-W47 HydrophobicContact CB-CZ2 3.87Å; F45-W47 HydrophobicContact CD2-CH2 4.12Å; F45-W47 AromaticContact CD2-CZ2 3.86Å; F45-W47 HydrophobicContact CD2-CZ2 3.86Å; F45-W47 HydrophobicContact CG-CH2 4.39Å; F45-W47 HydrophobicContact CG-CZ2 4.22Å; F45-W47 PolarHBondContact O-N 3.37Å; F45-W47 VanDerWaalsContact O-N 3.11Å; W47-V52 HydrophobicContact CE3-CG1 3.75Å; W47-V52 HydrophobicContact CZ3-CG1 4.25Å; W47-I56 HydrophobicContact CB-CD1 3.85Å; W47-I56 HydrophobicContact CE3-CD1 3.97Å; W47-I56 HydrophobicContact CE3-CG2 3.92Å; W47-I56 HydrophobicContact CZ3-CG2 3.95Å; W47-I56 WeakPolarHBondContact O-CD1 3.23Å; W47-R65 HydrophobicContact CH2-CG 4.39Å; W47-R65 HydrophobicContact CZ3-CG 4.1Å; W47-M68 HydrophobicContact CH2-CB 3.6Å; W47-M68 HydrophobicContact CH2-CG 4.47Å; W47-M68 HydrophobicContact CZ3-CB 3.92Å; W47-M68 HydrophobicContact CZ3-CG 4.32Å
48H77.4Confident80Confident111 Ų11160.7 Ų60.751%0.51433%0.326SS..THydrogen-bonded Turntrans-89.1-11.3179.1-61.3-66.6000113.1D30 S34 N46 S50D30-H48 WeakPolarHBondContact CB-O 3.45Å; D30-H48 IonicContact OD1-CG 3.98Å; D30-H48 IonicContact OD1-ND1 3.36Å; D30-H48 PolarHBondContact OD1-ND1 3.02Å; S34-H48 WeakPolarHBondContact CB-O 3.41Å; N46-H48 PolarHBondContact O-N 2.9Å; N46-H48 VanDerWaalsContact O-N 3.09Å; N46-H48 PolarHBondContact OD1-N 3.43Å; H48-S50 PolarHBondContact O-N 3.47Å
49C78.9Confident80.8Confident23 Ų2358.9 Ų58.916%0.15533%0.325CS..SBendtrans-55.9128.9173.8-1790000108.8N46 C51 V52 S53N46-C49 HydrophobicContact CB-CB 4.35Å; N46-C49 WeakPolarHBondContact O-CB 3.23Å; N46-C49 PolarHBondContact O-N 3.32Å; N46-C49 PolarHBondContact OD1-N 3.05Å; C49-C51 PolarHBondContact O-N 3.15Å; C49-V52 HydrophobicContact CB-CG2 4.35Å; C49-V52 PolarHBondContact O-N 3.45Å; C49-S53 PolarHBondContact O-N 3.29Å
50S73.1Confident81.5Confident71 Ų7155.2 Ų55.250%0.49731%0.312SS..Hα-helixtrans-48.4-39.6-172.852.90000113.6H48 S54H48-S50 PolarHBondContact O-N 3.47Å; S50-S54 PolarHBondContact O-N 2.89Å; S50-S54 VanDerWaalsContact O-N 3.15Å
51C71.9Confident82Confident76 Ų7653.8 Ų53.851%0.51430%0.303SS..Hα-helixtrans-61.3-54.6175.4-57.50000111.9C49 S54 Y55C49-C51 PolarHBondContact O-N 3.15Å; C51-S54 PolarHBondContact O-N 2.91Å; C51-S54 PolarHBondContact O-OG 2.94Å; C51-Y55 VanDerWaalsContact O-CD2 3.26Å; C51-Y55 WeakPolarHBondContact O-CD2 3.19Å; C51-Y55 WeakPolarHBondContact O-CE2 3.33Å
52V76.7Confident82.6Confident3 Ų350.4 Ų50.42%0.01828%0.282CS..Hα-helixtrans-66.2-42.4-178.8-175.50000111.2F38 W47 C49 S54 Y55 I56F38-V52 HydrophobicContact CD2-CG2 3.59Å; F38-V52 HydrophobicContact CE2-CG2 3.53Å; W47-V52 HydrophobicContact CE3-CG1 3.75Å; W47-V52 HydrophobicContact CZ3-CG1 4.25Å; C49-V52 HydrophobicContact CB-CG2 4.35Å; C49-V52 PolarHBondContact O-N 3.45Å; V52-S54 VanDerWaalsContact C-N 3.28Å; V52-S54 PolarHBondContact O-N 3.08Å; V52-Y55 PolarHBondContact O-N 3.35Å; V52-I56 HydrophobicContact CG1-CG2 4.09Å; V52-I56 WeakPolarHBondContact O-CG1 3.27Å; V52-I56 PolarHBondContact O-N 2.91Å; V52-I56 VanDerWaalsContact O-N 3.08Å
53S79Confident83.1Confident15 Ų1548.1 Ų48.111%0.10527%0.267CS..Hα-helixtrans-56.6-43.8180-176.80000111.5D30 C49 Y55 I56 S57D30-S53 VanDerWaalsContact OD2-CB 3.27Å; D30-S53 WeakPolarHBondContact OD2-CB 3.46Å; D30-S53 PolarHBondContact OD2-OG 3.35Å; C49-S53 PolarHBondContact O-N 3.29Å; S53-Y55 PolarHBondContact O-N 2.89Å; S53-I56 WeakPolarHBondContact O-CG1 3.31Å; S53-I56 PolarHBondContact O-N 3.32Å; S53-S57 VanDerWaalsContact O-CB 3.3Å; S53-S57 WeakPolarHBondContact O-CB 3.11Å; S53-S57 PolarHBondContact O-N 3.33Å; S53-S57 PolarHBondContact O-OG 3.09Å
54S77.9Confident83.6Confident50 Ų5047 Ų4735%0.3525%0.252SS..Hα-helixtrans-59.3-32.4178.276.90000113.2S50 C51 V52S50-S54 PolarHBondContact O-N 2.89Å; S50-S54 VanDerWaalsContact O-N 3.15Å; C51-S54 PolarHBondContact O-N 2.91Å; C51-S54 PolarHBondContact O-OG 2.94Å; V52-S54 VanDerWaalsContact C-N 3.28Å; V52-S54 PolarHBondContact O-N 3.08Å
55Y83.6Confident84Confident25 Ų2545.5 Ų45.510%0.09824%0.241CC..Hα-helixtrans-83.3-37.1-178.8-55.9-35.8000112.8C51 V52 S53 F64 Y108 F111C51-Y55 VanDerWaalsContact O-CD2 3.26Å; C51-Y55 WeakPolarHBondContact O-CD2 3.19Å; C51-Y55 WeakPolarHBondContact O-CE2 3.33Å; V52-Y55 PolarHBondContact O-N 3.35Å; S53-Y55 PolarHBondContact O-N 2.89Å; Y55-F64 HydrophobicContact CD2-CE1 4.31Å; Y55-F64 AromaticContact CD2-CE2 3.95Å; Y55-F64 HydrophobicContact CD2-CE2 3.95Å; Y55-F64 AromaticContact CD2-CZ 3.59Å; Y55-F64 HydrophobicContact CD2-CZ 3.59Å; Y55-F64 AromaticContact CG-CE2 3.96Å; Y55-F64 HydrophobicContact CG-CE2 3.96Å; Y55-F64 AromaticContact CG-CZ 3.99Å; Y55-F64 HydrophobicContact CG-CZ 3.99Å; Y55-Y108 HydrophobicContact CD1-CD1 4.36Å; Y55-Y108 PolarHBondContact O-OH 2.79Å; Y55-Y108 VanDerWaalsContact O-OH 3.1Å; Y55-F111 HydrophobicContact CD1-CB 4.11Å; Y55-F111 HydrophobicContact CD1-CD2 4.25Å; Y55-F111 HydrophobicContact CD1-CG 4.49Å; Y55-F111 AromaticContact CD2-CD2 3.9Å; Y55-F111 HydrophobicContact CD2-CD2 3.9Å; Y55-F111 HydrophobicContact CD2-CE2 4.41Å; Y55-F111 HydrophobicContact CE1-CB 3.63Å; Y55-F111 HydrophobicContact CE1-CD2 4.04Å; Y55-F111 HydrophobicContact CE1-CG 4.28Å; Y55-F111 AromaticContact CE2-CD2 3.64Å; Y55-F111 HydrophobicContact CE2-CD2 3.64Å; Y55-F111 HydrophobicContact CE2-CE2 4.34Å; Y55-F111 HydrophobicContact CG-CD2 4.2Å; Y55-F111 AromaticContact CZ-CD2 3.71Å
56I86.1Confident84.7Confident24 Ų2446 Ų4612%0.12325%0.246CC..Hα-helixtrans-83.7-20.1-176.968.1175.2000114.1W47 V52 S53 G61 F64 R65W47-I56 HydrophobicContact CB-CD1 3.85Å; W47-I56 HydrophobicContact CE3-CD1 3.97Å; W47-I56 HydrophobicContact CE3-CG2 3.92Å; W47-I56 HydrophobicContact CZ3-CG2 3.95Å; W47-I56 WeakPolarHBondContact O-CD1 3.23Å; V52-I56 HydrophobicContact CG1-CG2 4.09Å; V52-I56 WeakPolarHBondContact O-CG1 3.27Å; V52-I56 PolarHBondContact O-N 2.91Å; V52-I56 VanDerWaalsContact O-N 3.08Å; S53-I56 WeakPolarHBondContact O-CG1 3.31Å; S53-I56 PolarHBondContact O-N 3.32Å; I56-G61 VanDerWaalsContact O-CA 3.25Å; I56-G61 WeakPolarHBondContact O-CA 3.27Å; I56-F64 HydrophobicContact CG2-CB 4.47Å; I56-F64 HydrophobicContact CG2-CD1 3.65Å; I56-F64 HydrophobicContact CG2-CE1 4.35Å; I56-F64 HydrophobicContact CG2-CG 4.37Å; I56-R65 HydrophobicContact CB-CG 4.24Å; I56-R65 HydrophobicContact CG2-CG 4.01Å; I56-R65 PolarHBondContact O-NH1 3.38Å
57S84.8Confident85.2Confident71 Ų7146.1 Ų46.150%0.49725%0.245SC..SBendtrans-86.4-14.3178.956.80000113S53S53-S57 VanDerWaalsContact O-CB 3.3Å; S53-S57 WeakPolarHBondContact O-CB 3.11Å; S53-S57 PolarHBondContact O-N 3.33Å; S53-S57 PolarHBondContact O-OG 3.09Å
58G86.7Confident85.6Confident13 Ų1343.3 Ų43.313%0.13424%0.235CC..SBendtrans-78.9-179.2177.300000115.1C60 G61 Y107 Y108G58-C60 PolarHBondContact O-N 3.25Å; G58-C60 VanDerWaalsContact O-N 3.16Å; G58-G61 PolarHBondContact O-N 3.36Å; G58-Y107 VanDerWaalsContact CA-CE1 3.49Å; G58-Y107 WeakPolarHBondContact CA-OH 3.03Å; G58-Y108 VanDerWaalsContact C-OH 3.22Å; G58-Y108 WeakPolarHBondContact CA-OH 3.31Å
59P92.3Very high86.2Confident68 Ų6844 Ų4444%0.44224%0.239SC..THydrogen-bonded Turntrans-63.8-23.8-174.623.9-31.8000113.9H104 Y108P59-H104 HydrophobicContact CG-CB 4.03Å; P59-H104 VanDerWaalsContact CG-CG 3.5Å; P59-Y108 HydrophobicContact CG-CE2 3.96Å
60C94.4Very high86.7Confident0 Ų044.4 Ų44.40%024%0.24CC..THydrogen-bonded Turntrans-95.77.7175.8-55.50000113.6G58 Y62 F63 F64 C100 L101 Y108G58-C60 PolarHBondContact O-N 3.25Å; G58-C60 VanDerWaalsContact O-N 3.16Å; C60-Y62 PolarHBondContact O-N 3.14Å; C60-Y62 VanDerWaalsContact O-N 3.12Å; C60-F63 HydrophobicContact CB-CD2 4.43Å; C60-F63 PolarHBondContact O-N 2.98Å; C60-F64 PolarHBondContact O-N 3.4Å; C60-C100 WeakPolarHBondContact CA-SG 3.5Å; C60-C100 HydrophobicContact CB-CB 3.78Å; C60-C100 WeakPolarHBondContact CB-SG 3.3Å; C60-C100 WeakPolarHBondContact SG-CB 3.49Å; C60-C100 PolarHBondContact SG-O 3.47Å; C60-C100 CovalentContact SG-SG 2.04Å; C60-C100 PolarHBondContact SG-SG 3.13Å; C60-L101 HydrophobicContact CB-CD2 4.01Å; C60-Y108 WeakPolarHBondContact CA-OH 3.28Å; C60-Y108 HydrophobicContact CB-CE2 3.63Å; C60-Y108 WeakPolarHBondContact CB-OH 3.45Å; C60-Y108 PolarHBondContact N-OH 2.93Å; C60-Y108 WeakPolarHBondContact SG-CE2 3.48Å
61G92.1Very high87.4Confident1 Ų141.9 Ų41.91%0.0122%0.22CC..Hα-helixtrans-58.5-30.8-172.500000114.4I56 G58 F64 R65I56-G61 VanDerWaalsContact O-CA 3.25Å; I56-G61 WeakPolarHBondContact O-CA 3.27Å; G58-G61 PolarHBondContact O-N 3.36Å; G61-F64 PolarHBondContact O-N 3.37Å; G61-R65 WeakPolarHBondContact O-CB 3.27Å; G61-R65 WeakPolarHBondContact O-CG 3.49Å; G61-R65 PolarHBondContact O-N 3.37Å; G61-R65 PolarHBondContact O-NH1 3.04Å
62Y94.4Very high88.1Confident138 Ų13840.3 Ų40.354%0.54121%0.207SC..Hα-helixtrans-60.5-50172.2173.1-100.5000112.1C60 F64 R65 N66C60-Y62 PolarHBondContact O-N 3.14Å; C60-Y62 VanDerWaalsContact O-N 3.12Å; Y62-F64 VanDerWaalsContact C-N 3.34Å; Y62-F64 PolarHBondContact O-N 2.94Å; Y62-R65 PolarHBondContact O-N 3.27Å; Y62-N66 VanDerWaalsContact CE1-ND2 3.27Å; Y62-N66 WeakPolarHBondContact CE1-ND2 3.44Å; Y62-N66 PolarHBondContact O-N 3.05Å; Y62-N66 VanDerWaalsContact O-N 3.11Å; Y62-N66 PolarHBondContact OH-ND2 3.19Å
63F94.9Very high88.7Confident61 Ų6145.5 Ų45.527%0.26823%0.226SC..Hα-helixtrans-66.9-37.7178.5-56-66.2000111.7C60 N66 F67 Q96 L97 C100C60-F63 HydrophobicContact CB-CD2 4.43Å; C60-F63 PolarHBondContact O-N 2.98Å; F63-N66 PolarHBondContact O-N 2.93Å; F63-F67 WeakPolarHBondContact O-CB 3.43Å; F63-F67 PolarHBondContact O-N 2.9Å; F63-Q96 HydrophobicContact CD1-CB 3.79Å; F63-Q96 HydrophobicContact CE1-CB 4.17Å; F63-L97 HydrophobicContact CB-CB 4.41Å; F63-L97 HydrophobicContact CB-CD1 4.16Å; F63-C100 HydrophobicContact CD2-CB 3.53Å; F63-C100 HydrophobicContact CE2-CB 3.79Å; F63-C100 HydrophobicContact CG-CB 4.46Å
64F91.1Very high89.1Confident9 Ų945.1 Ų45.14%0.03922%0.222CC..Hα-helixtrans-62.3-46.9176.6-158.7-81.4000111.6Y55 I56 C60 G61 Y62 N66 F67 M68 L97 F111Y55-F64 HydrophobicContact CD2-CE1 4.31Å; Y55-F64 AromaticContact CD2-CE2 3.95Å; Y55-F64 HydrophobicContact CD2-CE2 3.95Å; Y55-F64 AromaticContact CD2-CZ 3.59Å; Y55-F64 HydrophobicContact CD2-CZ 3.59Å; Y55-F64 AromaticContact CG-CE2 3.96Å; Y55-F64 HydrophobicContact CG-CE2 3.96Å; Y55-F64 AromaticContact CG-CZ 3.99Å; Y55-F64 HydrophobicContact CG-CZ 3.99Å; I56-F64 HydrophobicContact CG2-CB 4.47Å; I56-F64 HydrophobicContact CG2-CD1 3.65Å; I56-F64 HydrophobicContact CG2-CE1 4.35Å; I56-F64 HydrophobicContact CG2-CG 4.37Å; C60-F64 PolarHBondContact O-N 3.4Å; G61-F64 PolarHBondContact O-N 3.37Å; Y62-F64 VanDerWaalsContact C-N 3.34Å; Y62-F64 PolarHBondContact O-N 2.94Å; F64-N66 VanDerWaalsContact C-N 3.34Å; F64-N66 PolarHBondContact O-N 3.13Å; F64-F67 PolarHBondContact O-N 3.36Å; F64-M68 HydrophobicContact CD1-CG 3.56Å; F64-M68 HydrophobicContact CE1-CG 3.38Å; F64-M68 HydrophobicContact CE1-SD 3.98Å; F64-M68 HydrophobicContact CZ-CG 4.28Å; F64-M68 HydrophobicContact CZ-SD 4.4Å; F64-M68 WeakPolarHBondContact O-CB 3.38Å; F64-M68 VanDerWaalsContact O-CG 3.29Å; F64-M68 WeakPolarHBondContact O-CG 3.03Å; F64-M68 PolarHBondContact O-N 3.41Å; F64-L97 HydrophobicContact CB-CD1 4.25Å; F64-L97 HydrophobicContact CD2-CD1 4.06Å; F64-F111 AromaticContact CE2-CD2 3.94Å; F64-F111 HydrophobicContact CE2-CD2 3.94Å; F64-F111 HydrophobicContact CE2-CE1 4.49Å; F64-F111 AromaticContact CE2-CE2 3.44Å; F64-F111 HydrophobicContact CE2-CE2 3.44Å; F64-F111 VanDerWaalsContact CE2-CE2 3.44Å; F64-F111 AromaticContact CE2-CZ 3.75Å; F64-F111 HydrophobicContact CE2-CZ 3.75Å; F64-F111 HydrophobicContact CZ-CD2 4.45Å; F64-F111 AromaticContact CZ-CE2 3.88Å; F64-F111 HydrophobicContact CZ-CE2 3.88Å; F64-F111 HydrophobicContact CZ-CZ 4.46Å
65R90.8Very high89.3Confident95 Ų9548.1 Ų48.136%0.35823%0.234SC..Hα-helixtrans-58.6-45.2175.3-76.2-174-66.2-86.13.4111.7W47 I56 G61 Y62 M68 Q69W47-R65 HydrophobicContact CH2-CG 4.39Å; W47-R65 HydrophobicContact CZ3-CG 4.1Å; I56-R65 HydrophobicContact CB-CG 4.24Å; I56-R65 HydrophobicContact CG2-CG 4.01Å; I56-R65 PolarHBondContact O-NH1 3.38Å; G61-R65 WeakPolarHBondContact O-CB 3.27Å; G61-R65 WeakPolarHBondContact O-CG 3.49Å; G61-R65 PolarHBondContact O-N 3.37Å; G61-R65 PolarHBondContact O-NH1 3.04Å; Y62-R65 PolarHBondContact O-N 3.27Å; R65-M68 PolarHBondContact O-N 3.25Å; R65-Q69 WeakPolarHBondContact O-CB 3.38Å; R65-Q69 VanDerWaalsContact O-CG 3.25Å; R65-Q69 WeakPolarHBondContact O-CG 3.5Å; R65-Q69 PolarHBondContact O-N 3.28Å
66N92.7Very high89.3Confident34 Ų3454 Ų5418%0.18226%0.26CS..Hα-helixtrans-63.2-42179-71-6.6000112.3Y62 F63 F64 N70 L93Y62-N66 VanDerWaalsContact CE1-ND2 3.27Å; Y62-N66 WeakPolarHBondContact CE1-ND2 3.44Å; Y62-N66 PolarHBondContact O-N 3.05Å; Y62-N66 VanDerWaalsContact O-N 3.11Å; Y62-N66 PolarHBondContact OH-ND2 3.19Å; F63-N66 PolarHBondContact O-N 2.93Å; F64-N66 VanDerWaalsContact C-N 3.34Å; F64-N66 PolarHBondContact O-N 3.13Å; N66-N70 PolarHBondContact O-ND2 3.49Å; N66-L93 HydrophobicContact CB-CD2 4.03Å
67F92.1Very high89.2Confident9 Ų955.2 Ų55.24%0.03927%0.27CS..Hα-helixtrans-62.8-50.7175.4-177.1-97.3000111F63 F64 Q69 N70 I71 F90 L93 L97 L119F63-F67 WeakPolarHBondContact O-CB 3.43Å; F63-F67 PolarHBondContact O-N 2.9Å; F64-F67 PolarHBondContact O-N 3.36Å; F67-Q69 VanDerWaalsContact C-N 3.34Å; F67-Q69 PolarHBondContact O-N 2.8Å; F67-N70 CarbonylContact O-C 3.24Å; F67-N70 PolarHBondContact O-N 2.04Å; F67-I71 HydrophobicContact CD1-CD1 4.39Å; F67-I71 HydrophobicContact CE1-CD1 3.51Å; F67-I71 HydrophobicContact CE1-CG1 4.45Å; F67-I71 HydrophobicContact CZ-CD1 3.67Å; F67-I71 PolarHBondContact O-N 3.47Å; F67-I71 VanDerWaalsContact O-N 3.09Å; F67-F90 HydrophobicContact CE2-CD2 4.33Å; F67-F90 AromaticContact CE2-CE2 3.86Å; F67-F90 HydrophobicContact CE2-CE2 3.86Å; F67-F90 HydrophobicContact CZ-CE2 4.11Å; F67-L93 HydrophobicContact CD2-CB 4.03Å; F67-L97 HydrophobicContact CB-CD2 3.94Å; F67-L97 HydrophobicContact CD1-CD2 3.98Å; F67-L97 HydrophobicContact CD2-CD2 4.19Å; F67-L97 HydrophobicContact CG-CD2 3.77Å; F67-L119 HydrophobicContact CE1-CD2 4.03Å; F67-L119 HydrophobicContact CE2-CD2 4.38Å; F67-L119 HydrophobicContact CZ-CD2 3.53Å
68M87.7Confident89Confident12 Ų1261.8 Ų61.86%0.05929%0.293CS..Hα-helixtrans-62-37.4-178.7-74.5-52.4-53.400113.3F38 F45 W47 F64 R65 N70 I71F38-M68 HydrophobicContact CE1-CE 3.87Å; F38-M68 HydrophobicContact CE2-CE 4.2Å; F38-M68 HydrophobicContact CZ-CE 3.27Å; F38-M68 HydrophobicContact CZ-SD 4.37Å; F45-M68 HydrophobicContact CD1-CE 3.57Å; F45-M68 HydrophobicContact CD2-CE 4.48Å; F45-M68 HydrophobicContact CE1-CE 3.2Å; F45-M68 HydrophobicContact CE2-CE 4.19Å; F45-M68 WeakPolarHBondContact CE2-O 3.26Å; F45-M68 HydrophobicContact CG-CE 4.23Å; F45-M68 HydrophobicContact CZ-CE 3.59Å; F45-M68 WeakPolarHBondContact CZ-O 3.37Å; W47-M68 HydrophobicContact CH2-CB 3.6Å; W47-M68 HydrophobicContact CH2-CG 4.47Å; W47-M68 HydrophobicContact CZ3-CB 3.92Å; W47-M68 HydrophobicContact CZ3-CG 4.32Å; F64-M68 HydrophobicContact CD1-CG 3.56Å; F64-M68 HydrophobicContact CE1-CG 3.38Å; F64-M68 HydrophobicContact CE1-SD 3.98Å; F64-M68 HydrophobicContact CZ-CG 4.28Å; F64-M68 HydrophobicContact CZ-SD 4.4Å; F64-M68 WeakPolarHBondContact O-CB 3.38Å; F64-M68 VanDerWaalsContact O-CG 3.29Å; F64-M68 WeakPolarHBondContact O-CG 3.03Å; F64-M68 PolarHBondContact O-N 3.41Å; R65-M68 PolarHBondContact O-N 3.25Å; M68-N70 PolarHBondContact O-N 3.16Å; M68-N70 VanDerWaalsContact O-N 3.13Å; M68-I71 HydrophobicContact CE-CG2 3.89Å; M68-I71 VanDerWaalsContact O-CG2 3.27Å; M68-I71 WeakPolarHBondContact O-CG2 3.34Å; M68-I71 PolarHBondContact O-N 2.95Å
69Q88.7Confident88.9Confident125 Ų12564.4 Ų64.458%0.58430%0.304SS*.Hα-helixtrans-59.1-24173.9-77.4172.8-12.800113.5R65 F67R65-Q69 WeakPolarHBondContact O-CB 3.38Å; R65-Q69 VanDerWaalsContact O-CG 3.25Å; R65-Q69 WeakPolarHBondContact O-CG 3.5Å; R65-Q69 PolarHBondContact O-N 3.28Å; F67-Q69 VanDerWaalsContact C-N 3.34Å; F67-Q69 PolarHBondContact O-N 2.8Å
70N90.8Very high88.7Confident33 Ų3361.2 Ų61.218%0.17628%0.283CS..Hα-helixtrans-106.2-6.5-178.5-69.6-81.4000113.5N66 F67 M68 D72 R73 F74 L93N66-N70 PolarHBondContact O-ND2 3.49Å; F67-N70 CarbonylContact O-C 3.24Å; F67-N70 PolarHBondContact O-N 2.04Å; M68-N70 PolarHBondContact O-N 3.16Å; M68-N70 VanDerWaalsContact O-N 3.13Å; N70-D72 PolarHBondContact O-N 2.94Å; N70-D72 VanDerWaalsContact O-N 3.14Å; N70-R73 WeakPolarHBondContact O-CB 2.99Å; N70-R73 PolarHBondContact O-N 2.99Å; N70-F74 HydrophobicContact CB-CE2 3.66Å; N70-F74 HydrophobicContact CB-CZ 3.89Å; N70-F74 VanDerWaalsContact O-CD2 3.28Å; N70-F74 WeakPolarHBondContact O-CD2 3.41Å; N70-F74 WeakPolarHBondContact O-CE2 3.36Å; N70-L93 HydrophobicContact CB-CD1 3.69Å
71I86.6Confident88.4Confident18 Ų1862.7 Ų62.79%0.09229%0.29CS..Hα-helixtrans-59.5-34.2-173.6-160.658.8000112.8F45 F67 M68 R73 F74 L75F45-I71 HydrophobicContact CE1-CG2 4.05Å; F45-I71 HydrophobicContact CE2-CG2 4.18Å; F45-I71 HydrophobicContact CZ-CG2 3.33Å; F67-I71 HydrophobicContact CD1-CD1 4.39Å; F67-I71 HydrophobicContact CE1-CD1 3.51Å; F67-I71 HydrophobicContact CE1-CG1 4.45Å; F67-I71 HydrophobicContact CZ-CD1 3.67Å; F67-I71 PolarHBondContact O-N 3.47Å; F67-I71 VanDerWaalsContact O-N 3.09Å; M68-I71 HydrophobicContact CE-CG2 3.89Å; M68-I71 VanDerWaalsContact O-CG2 3.27Å; M68-I71 WeakPolarHBondContact O-CG2 3.34Å; M68-I71 PolarHBondContact O-N 2.95Å; I71-R73 VanDerWaalsContact C-N 3.28Å; I71-R73 PolarHBondContact O-N 2.95Å; I71-F74 HydrophobicContact CD1-CD2 4.45Å; I71-F74 PolarHBondContact O-N 3.39Å; I71-F74 VanDerWaalsContact O-N 3.1Å; I71-L75 HydrophobicContact CD1-CD1 4.02Å; I71-L75 HydrophobicContact CD1-CG 4.16Å; I71-L75 HydrophobicContact CG1-CD1 3.66Å; I71-L75 HydrophobicContact CG1-CG 4.09Å; I71-L75 WeakPolarHBondContact O-CG 3.48Å; I71-L75 PolarHBondContact O-N 3.43Å
72D87.2Confident88.3Confident42 Ų4269.7 Ų69.723%0.22532%0.322CS..Hα-helixtrans-62.5-34.7175.7-92.8-13.6000113.2R39 N70 F74 K76R39-D72 IonicContact CZ-OD1 3.4Å; R39-D72 IonicContact CZ-OD2 3.88Å; R39-D72 IonicContact NH1-OD1 3.42Å; R39-D72 PolarHBondContact NH1-OD1 3.12Å; R39-D72 IonicContact NH1-OD2 3.78Å; R39-D72 PolarHBondContact NH1-OD2 3.4Å; R39-D72 VanDerWaalsContact NH2-CG 3.28Å; R39-D72 IonicContact NH2-OD1 3.54Å; R39-D72 PolarHBondContact NH2-OD1 3.11Å; R39-D72 IonicContact NH2-OD2 3.98Å; R39-D72 PolarHBondContact NH2-OD2 3.35Å; N70-D72 PolarHBondContact O-N 2.94Å; N70-D72 VanDerWaalsContact O-N 3.14Å; D72-F74 PolarHBondContact O-N 2.91Å; D72-K76 HydrophobicContact CB-CD 3.98Å; D72-K76 HydrophobicContact CB-CG 4.42Å; D72-K76 VanDerWaalsContact O-CB 3.27Å; D72-K76 WeakPolarHBondContact O-CB 3.48Å; D72-K76 PolarHBondContact O-N 2.97Å; D72-K76 WeakPolarHBondContact OD1-CE 3.33Å; D72-K76 IonicContact OD1-NZ 2.78Å; D72-K76 PolarHBondContact OD1-NZ 3.42Å; D72-K76 WeakPolarHBondContact OD2-CE 3.25Å; D72-K76 IonicContact OD2-NZ 2.79Å; D72-K76 PolarHBondContact OD2-NZ 3.4Å
73R88.6Confident88.1Confident113 Ų11368.4 Ų68.443%0.42632%0.32SS..Hα-helixtrans-64.7-28.8177.1-179.1-172.3-74.7-112.31.2111.4N70 I71 A80 N86N70-R73 WeakPolarHBondContact O-CB 2.99Å; N70-R73 PolarHBondContact O-N 2.99Å; I71-R73 VanDerWaalsContact C-N 3.28Å; I71-R73 PolarHBondContact O-N 2.95Å; R73-A80 VanDerWaalsContact O-CB 3.31Å; R73-A80 WeakPolarHBondContact O-CB 3.35Å; R73-N86 WeakPolarHBondContact CD-OD1 3.09Å; R73-N86 PolarHBondContact NH1-OD1 3.49Å
74F87.5Confident87.9Confident6 Ų670.3 Ų70.33%0.02633%0.329CS..Hα-helixtrans-92.5-33.6-178.1-49.8-46.8000112.6N70 I71 D72 A80 F81 N86 L89 F90 L93N70-F74 HydrophobicContact CB-CE2 3.66Å; N70-F74 HydrophobicContact CB-CZ 3.89Å; N70-F74 VanDerWaalsContact O-CD2 3.28Å; N70-F74 WeakPolarHBondContact O-CD2 3.41Å; N70-F74 WeakPolarHBondContact O-CE2 3.36Å; I71-F74 HydrophobicContact CD1-CD2 4.45Å; I71-F74 PolarHBondContact O-N 3.39Å; I71-F74 VanDerWaalsContact O-N 3.1Å; D72-F74 PolarHBondContact O-N 2.91Å; F74-A80 WeakPolarHBondContact O-CB 3.45Å; F74-F81 HydrophobicContact CB-CE1 4.42Å; F74-F81 HydrophobicContact CB-CZ 4.02Å; F74-F81 HydrophobicContact CD1-CE1 4.03Å; F74-F81 HydrophobicContact CD1-CZ 4.46Å; F74-F81 HydrophobicContact CG-CE1 4.44Å; F74-F81 HydrophobicContact CG-CZ 4.45Å; F74-N86 HydrophobicContact CE1-CB 4.5Å; F74-L89 HydrophobicContact CZ-CD2 4.28Å; F74-L89 HydrophobicContact CZ-CG 4.13Å; F74-F90 HydrophobicContact CD1-CB 4.18Å; F74-F90 HydrophobicContact CD1-CD2 4.25Å; F74-F90 AromaticContact CD2-CD2 3.62Å; F74-F90 HydrophobicContact CD2-CD2 3.62Å; F74-F90 HydrophobicContact CD2-CE2 4.3Å; F74-F90 HydrophobicContact CE1-CB 3.79Å; F74-F90 HydrophobicContact CE1-CD2 4.39Å; F74-F90 HydrophobicContact CE2-CB 4.37Å; F74-F90 AromaticContact CE2-CD2 3.78Å; F74-F90 HydrophobicContact CE2-CD2 3.78Å; F74-F90 AromaticContact CG-CD2 3.88Å; F74-F90 HydrophobicContact CG-CD2 3.88Å; F74-F90 HydrophobicContact CZ-CB 3.89Å; F74-F90 HydrophobicContact CZ-CD2 4.17Å; F74-L93 HydrophobicContact CE2-CD1 4.22Å; F74-L93 HydrophobicContact CZ-CD1 4.16Å
75L82.9Confident88Confident113 Ų11376.7 Ų76.759%0.59236%0.359SS*.Hα-helixtrans-101.4-22.4-172-61.1-174.2000115.3I71 L122I71-L75 HydrophobicContact CD1-CD1 4.02Å; I71-L75 HydrophobicContact CD1-CG 4.16Å; I71-L75 HydrophobicContact CG1-CD1 3.66Å; I71-L75 HydrophobicContact CG1-CG 4.09Å; I71-L75 WeakPolarHBondContact O-CG 3.48Å; I71-L75 PolarHBondContact O-N 3.43Å; L75-L122 HydrophobicContact CD2-CD2 4.47Å
76K84Confident88.1Confident150 Ų15072.7 Ų72.765%0.65235%0.345SS*.SBendtrans-85.1-13.2-177.4-71.5-178.7167.2164.70114.3D72D72-K76 HydrophobicContact CB-CD 3.98Å; D72-K76 HydrophobicContact CB-CG 4.42Å; D72-K76 VanDerWaalsContact O-CB 3.27Å; D72-K76 WeakPolarHBondContact O-CB 3.48Å; D72-K76 PolarHBondContact O-N 2.97Å; D72-K76 WeakPolarHBondContact OD1-CE 3.33Å; D72-K76 IonicContact OD1-NZ 2.78Å; D72-K76 PolarHBondContact OD1-NZ 3.42Å; D72-K76 WeakPolarHBondContact OD2-CE 3.25Å; D72-K76 IonicContact OD2-NZ 2.79Å; D72-K76 PolarHBondContact OD2-NZ 3.4Å
77S82.6Confident88Confident48 Ų4874 Ų7434%0.33635%0.348SS..  trans-119.1119.8-176.9-138.60000108.1D79 A80S77-D79 WeakPolarHBondContact CB-OD1 3.29Å; S77-D79 PolarHBondContact O-N 2.61Å; S77-D79 PolarHBondContact OG-OD1 3.35Å; S77-A80 VanDerWaalsContact O-CB 3.23Å; S77-A80 WeakPolarHBondContact O-CB 3.47Å; S77-A80 PolarHBondContact O-N 2.93Å
78E81.2Confident88.1Confident209 Ų20977.6 Ų77.698%0.97737%0.367SS*.THydrogen-bonded Turntrans-61.8-28.7175.9-64.9-176.2171.200111.5
79D84.6Confident88.5Confident69 Ų6979 Ų7937%0.36937%0.374SS..THydrogen-bonded Turntrans-9214.7176.373.4-36000113.5S77 F81 E82 K83S77-D79 WeakPolarHBondContact CB-OD1 3.29Å; S77-D79 PolarHBondContact O-N 2.61Å; S77-D79 PolarHBondContact OG-OD1 3.35Å; D79-F81 PolarHBondContact O-N 3.4Å; D79-F81 VanDerWaalsContact O-N 3.11Å; D79-E82 HydrophobicContact CB-CB 4.35Å; D79-E82 HydrophobicContact CB-CG 3.95Å; D79-E82 WeakPolarHBondContact O-CB 2.99Å; D79-E82 PolarHBondContact O-N 2.92Å; D79-K83 IonicContact OD2-NZ 3.36Å
80A87.2Confident88.7Confident0 Ų073 Ų730%035%0.347CS..G310 helixtrans-53.3-40.2-172.700000112.4R73 F74 S77 N86R73-A80 VanDerWaalsContact O-CB 3.31Å; R73-A80 WeakPolarHBondContact O-CB 3.35Å; F74-A80 WeakPolarHBondContact O-CB 3.45Å; S77-A80 VanDerWaalsContact O-CB 3.23Å; S77-A80 WeakPolarHBondContact O-CB 3.47Å; S77-A80 PolarHBondContact O-N 2.93Å; A80-N86 WeakPolarHBondContact O-CB 3.41Å; A80-N86 PolarHBondContact O-ND2 3.4Å
81F89.4Confident88.8Confident31 Ų3174.4 Ų74.414%0.13635%0.353CS..G310 helixtrans-89.6-1.8-177.8-59.6-59.1000114.8F74 D79 K83 R87 F90 L122 V126F74-F81 HydrophobicContact CB-CE1 4.42Å; F74-F81 HydrophobicContact CB-CZ 4.02Å; F74-F81 HydrophobicContact CD1-CE1 4.03Å; F74-F81 HydrophobicContact CD1-CZ 4.46Å; F74-F81 HydrophobicContact CG-CE1 4.44Å; F74-F81 HydrophobicContact CG-CZ 4.45Å; D79-F81 PolarHBondContact O-N 3.4Å; D79-F81 VanDerWaalsContact O-N 3.11Å; F81-K83 PolarHBondContact O-N 3.42Å; F81-R87 HydrophobicContact CB-CG 4.13Å; F81-R87 HydrophobicContact CD1-CG 4.35Å; F81-R87 WeakPolarHBondContact O-CD 3.41Å; F81-R87 WeakPolarHBondContact O-CG 3.45Å; F81-R87 PolarHBondContact O-NH1 3.02Å; F81-F90 HydrophobicContact CE1-CB 3.81Å; F81-F90 HydrophobicContact CE1-CD1 4.28Å; F81-F90 HydrophobicContact CE1-CD2 4.16Å; F81-F90 AromaticContact CE1-CG 3.8Å; F81-F90 HydrophobicContact CE1-CG 3.8Å; F81-F90 HydrophobicContact CZ-CD2 4.18Å; F81-F90 HydrophobicContact CZ-CG 4.19Å; F81-L122 HydrophobicContact CE2-CD1 3.67Å; F81-L122 HydrophobicContact CE2-CG 4.26Å; F81-L122 HydrophobicContact CZ-CD1 4.03Å; F81-L122 HydrophobicContact CZ-CD2 4.46Å; F81-L122 HydrophobicContact CZ-CG 4.13Å; F81-V126 HydrophobicContact CD1-CB 4.48Å; F81-V126 HydrophobicContact CD1-CG1 4.35Å; F81-V126 HydrophobicContact CD1-CG2 3.49Å; F81-V126 VanDerWaalsContact CD1-CG2 3.49Å; F81-V126 HydrophobicContact CD2-CG2 4.17Å; F81-V126 HydrophobicContact CE1-CG2 3.41Å; F81-V126 VanDerWaalsContact CE1-CG2 3.41Å; F81-V126 HydrophobicContact CE2-CG2 4.1Å; F81-V126 HydrophobicContact CG-CG2 3.88Å; F81-V126 HydrophobicContact CZ-CG2 3.72Å
82E88.9Confident89.3Confident148 Ų14878.5 Ų78.569%0.69237%0.372SS*.G310 helixtrans-65.3-29.1167.2-65.9-59.1147.800111D79 Q84 R87D79-E82 HydrophobicContact CB-CB 4.35Å; D79-E82 HydrophobicContact CB-CG 3.95Å; D79-E82 WeakPolarHBondContact O-CB 2.99Å; D79-E82 PolarHBondContact O-N 2.92Å; E82-Q84 PolarHBondContact O-N 2.79Å; E82-R87 PolarHBondContact O-NH1 3.15Å
83K90.2Very high89.7Confident111 Ų11177 Ų7748%0.48336%0.364SS..SBendtrans-83.2112.1178.6-64.1171.6-172.2160.60110.1D79 F81 Q85 N86 R87D79-K83 IonicContact OD2-NZ 3.36Å; F81-K83 PolarHBondContact O-N 3.42Å; K83-Q85 PolarHBondContact O-N 2.95Å; K83-N86 HydrophobicContact CB-CB 4.27Å; K83-N86 WeakPolarHBondContact O-CB 3.27Å; K83-N86 PolarHBondContact O-N 2.78Å; K83-R87 PolarHBondContact O-N 2.88Å; K83-R87 VanDerWaalsContact O-N 3.14Å
84Q91.5Very high89.9Confident101 Ų10172.2 Ų72.247%0.47235%0.346SS..Hα-helixtrans-50.2-36.9177.1-17467.356.600113.5E82 N86 R87 N88E82-Q84 PolarHBondContact O-N 2.79Å; Q84-N86 VanDerWaalsContact C-N 3.33Å; Q84-N86 PolarHBondContact O-N 3.35Å; Q84-R87 PolarHBondContact O-N 3.17Å; Q84-N88 PolarHBondContact NE2-OD1 3.19Å; Q84-N88 VanDerWaalsContact O-CG 3.27Å; Q84-N88 PolarHBondContact O-N 3.31Å; Q84-N88 PolarHBondContact O-OD1 3.37Å
85Q92.5Very high90.2Very high143 Ų14375.1 Ų75.167%0.66837%0.368SS*.Hα-helixtrans-61.5-40.9177.3-174.2-178.213.500112.3K83 L89K83-Q85 PolarHBondContact O-N 2.95Å; Q85-L89 VanDerWaalsContact O-CB 3.29Å; Q85-L89 WeakPolarHBondContact O-CB 3.45Å; Q85-L89 PolarHBondContact O-N 3.1Å
86N92.2Very high90.8Very high12 Ų1273.3 Ų73.36%0.06436%0.356CS..Hα-helixtrans-70.7-39.7178.3-71.4-10.3000110.9R73 F74 A80 K83 Q84 L89 F90R73-N86 WeakPolarHBondContact CD-OD1 3.09Å; R73-N86 PolarHBondContact NH1-OD1 3.49Å; F74-N86 HydrophobicContact CE1-CB 4.5Å; A80-N86 WeakPolarHBondContact O-CB 3.41Å; A80-N86 PolarHBondContact O-ND2 3.4Å; K83-N86 HydrophobicContact CB-CB 4.27Å; K83-N86 WeakPolarHBondContact O-CB 3.27Å; K83-N86 PolarHBondContact O-N 2.78Å; Q84-N86 VanDerWaalsContact C-N 3.33Å; Q84-N86 PolarHBondContact O-N 3.35Å; N86-L89 PolarHBondContact O-N 2.99Å; N86-F90 WeakPolarHBondContact O-CB 3.39Å; N86-F90 PolarHBondContact O-N 3.3Å
87R92.1Very high91.3Very high62 Ų6266.2 Ų66.223%0.23433%0.325CS..Hα-helixtrans-55.6-54.6172.6-63.6-164.2-75.9-110.57.8111.5F81 E82 K83 Q84 L89 F90 I91 V126F81-R87 HydrophobicContact CB-CG 4.13Å; F81-R87 HydrophobicContact CD1-CG 4.35Å; F81-R87 WeakPolarHBondContact O-CD 3.41Å; F81-R87 WeakPolarHBondContact O-CG 3.45Å; F81-R87 PolarHBondContact O-NH1 3.02Å; E82-R87 PolarHBondContact O-NH1 3.15Å; K83-R87 PolarHBondContact O-N 2.88Å; K83-R87 VanDerWaalsContact O-N 3.14Å; Q84-R87 PolarHBondContact O-N 3.17Å; R87-L89 VanDerWaalsContact C-N 3.3Å; R87-L89 PolarHBondContact O-N 3.27Å; R87-F90 PolarHBondContact O-N 3.1Å; R87-I91 VanDerWaalsContact O-CG1 3.31Å; R87-I91 WeakPolarHBondContact O-CG1 3.44Å; R87-I91 PolarHBondContact O-N 3.08Å; R87-V126 HydrophobicContact CB-CG1 3.57Å; R87-V126 HydrophobicContact CG-CG1 3.81Å
88N94.6Very high91.8Very high84 Ų8464.3 Ų64.345%0.44931%0.311SS..Hα-helixtrans-59-43180-68.8-3.9000111.9Q84 Q92Q84-N88 PolarHBondContact NE2-OD1 3.19Å; Q84-N88 VanDerWaalsContact O-CG 3.27Å; Q84-N88 PolarHBondContact O-N 3.31Å; Q84-N88 PolarHBondContact O-OD1 3.37Å; N88-Q92 WeakPolarHBondContact O-CB 3.36Å; N88-Q92 PolarHBondContact O-N 3.05Å
89L94.6Very high92.4Very high40 Ų4056.4 Ų56.421%0.20929%0.286CS..Hα-helixtrans-65.8-43.2178.6-177.862000111.8F74 Q85 N86 R87 Q92 L93F74-L89 HydrophobicContact CZ-CD2 4.28Å; F74-L89 HydrophobicContact CZ-CG 4.13Å; Q85-L89 VanDerWaalsContact O-CB 3.29Å; Q85-L89 WeakPolarHBondContact O-CB 3.45Å; Q85-L89 PolarHBondContact O-N 3.1Å; N86-L89 PolarHBondContact O-N 2.99Å; R87-L89 VanDerWaalsContact C-N 3.3Å; R87-L89 PolarHBondContact O-N 3.27Å; L89-Q92 PolarHBondContact O-N 3.2Å; L89-L93 HydrophobicContact CD1-CD1 3.93Å; L89-L93 HydrophobicContact CD1-CG 4.06Å; L89-L93 HydrophobicContact CG-CD1 3.89Å; L89-L93 HydrophobicContact CG-CG 4.4Å; L89-L93 WeakPolarHBondContact O-CB 3.43Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 2.81Å
90F93.6Very high93Very high0 Ų054 Ų540%028%0.275CS..Hα-helixtrans-61.3-50.2176.2-178.9-95.3000111F67 F74 F81 N86 R87 Q92 L93 H94 L122 M123 V126F67-F90 HydrophobicContact CE2-CD2 4.33Å; F67-F90 AromaticContact CE2-CE2 3.86Å; F67-F90 HydrophobicContact CE2-CE2 3.86Å; F67-F90 HydrophobicContact CZ-CE2 4.11Å; F74-F90 HydrophobicContact CD1-CB 4.18Å; F74-F90 HydrophobicContact CD1-CD2 4.25Å; F74-F90 AromaticContact CD2-CD2 3.62Å; F74-F90 HydrophobicContact CD2-CD2 3.62Å; F74-F90 HydrophobicContact CD2-CE2 4.3Å; F74-F90 HydrophobicContact CE1-CB 3.79Å; F74-F90 HydrophobicContact CE1-CD2 4.39Å; F74-F90 HydrophobicContact CE2-CB 4.37Å; F74-F90 AromaticContact CE2-CD2 3.78Å; F74-F90 HydrophobicContact CE2-CD2 3.78Å; F74-F90 AromaticContact CG-CD2 3.88Å; F74-F90 HydrophobicContact CG-CD2 3.88Å; F74-F90 HydrophobicContact CZ-CB 3.89Å; F74-F90 HydrophobicContact CZ-CD2 4.17Å; F81-F90 HydrophobicContact CE1-CB 3.81Å; F81-F90 HydrophobicContact CE1-CD1 4.28Å; F81-F90 HydrophobicContact CE1-CD2 4.16Å; F81-F90 AromaticContact CE1-CG 3.8Å; F81-F90 HydrophobicContact CE1-CG 3.8Å; F81-F90 HydrophobicContact CZ-CD2 4.18Å; F81-F90 HydrophobicContact CZ-CG 4.19Å; N86-F90 WeakPolarHBondContact O-CB 3.39Å; N86-F90 PolarHBondContact O-N 3.3Å; R87-F90 PolarHBondContact O-N 3.1Å; F90-Q92 VanDerWaalsContact C-N 3.28Å; F90-Q92 PolarHBondContact O-N 3.34Å; F90-L93 PolarHBondContact O-N 2.94Å; F90-H94 HydrophobicContact CD1-CB 4.47Å; F90-H94 HydrophobicContact CE1-CB 4.19Å; F90-H94 HydrophobicContact CZ-CB 4.37Å; F90-H94 AromaticContact CZ-CD2 3.93Å; F90-H94 WeakPolarHBondContact O-CB 3.26Å; F90-H94 PolarHBondContact O-N 3.07Å; F90-L122 HydrophobicContact CD2-CD2 4.46Å; F90-L122 HydrophobicContact CE1-CG 4.24Å; F90-L122 HydrophobicContact CE2-CD2 3.42Å; F90-L122 VanDerWaalsContact CE2-CD2 3.42Å; F90-L122 HydrophobicContact CE2-CG 4Å; F90-L122 HydrophobicContact CZ-CB 3.97Å; F90-L122 HydrophobicContact CZ-CD2 3.46Å; F90-L122 VanDerWaalsContact CZ-CD2 3.46Å; F90-L122 HydrophobicContact CZ-CG 3.59Å; F90-M123 HydrophobicContact CD1-CE 4.22Å; F90-M123 HydrophobicContact CD1-SD 4.35Å; F90-M123 HydrophobicContact CE1-CB 4.43Å; F90-M123 HydrophobicContact CE1-CE 3.91Å; F90-M123 HydrophobicContact CE1-SD 4.21Å; F90-V126 HydrophobicContact CD1-CB 4.41Å; F90-V126 HydrophobicContact CD1-CG2 3.57Å; F90-V126 HydrophobicContact CE1-CG2 3.99Å; F90-V126 HydrophobicContact CG-CG2 4.28Å
91I93.5Very high93.3Very high62 Ų6254 Ų5432%0.31828%0.275SS..Hα-helixtrans-54.9-47178-68.6163.7000110.8R87 S95 M123 V126R87-I91 VanDerWaalsContact O-CG1 3.31Å; R87-I91 WeakPolarHBondContact O-CG1 3.44Å; R87-I91 PolarHBondContact O-N 3.08Å; I91-S95 VanDerWaalsContact O-CB 3.22Å; I91-S95 WeakPolarHBondContact O-CB 3.32Å; I91-S95 PolarHBondContact O-N 3.39Å; I91-S95 PolarHBondContact O-OG 3.1Å; I91-M123 HydrophobicContact CG1-SD 3.84Å; I91-V126 HydrophobicContact CD1-CG1 3.85Å; I91-V126 HydrophobicContact CG1-CG1 3.84Å
92Q95.8Very high93.4Very high105 Ų10559 Ų5949%0.49130%0.296SS..Hα-helixtrans-61.7-53.1179.1-178.1-173-33.300111.6N88 L89 F90 S95 Q96N88-Q92 WeakPolarHBondContact O-CB 3.36Å; N88-Q92 PolarHBondContact O-N 3.05Å; L89-Q92 PolarHBondContact O-N 3.2Å; F90-Q92 VanDerWaalsContact C-N 3.28Å; F90-Q92 PolarHBondContact O-N 3.34Å; Q92-S95 PolarHBondContact O-N 2.85Å; Q92-Q96 WeakPolarHBondContact O-CB 3.46Å; Q92-Q96 VanDerWaalsContact O-CG 3.27Å; Q92-Q96 WeakPolarHBondContact O-CG 3.38Å; Q92-Q96 PolarHBondContact O-N 3.33Å
93L95.2Very high93.8Very high11 Ų1155.2 Ų55.26%0.05829%0.29CS..Hα-helixtrans-65.2-42.1-177-68.8174.3000111.7N66 F67 N70 F74 L89 F90 Q96 L97N66-L93 HydrophobicContact CB-CD2 4.03Å; F67-L93 HydrophobicContact CD2-CB 4.03Å; N70-L93 HydrophobicContact CB-CD1 3.69Å; F74-L93 HydrophobicContact CE2-CD1 4.22Å; F74-L93 HydrophobicContact CZ-CD1 4.16Å; L89-L93 HydrophobicContact CD1-CD1 3.93Å; L89-L93 HydrophobicContact CD1-CG 4.06Å; L89-L93 HydrophobicContact CG-CD1 3.89Å; L89-L93 HydrophobicContact CG-CG 4.4Å; L89-L93 WeakPolarHBondContact O-CB 3.43Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 2.81Å; F90-L93 PolarHBondContact O-N 2.94Å; L93-Q96 PolarHBondContact O-N 2.75Å; L93-L97 VanDerWaalsContact O-CB 3.28Å; L93-L97 WeakPolarHBondContact O-CB 3.37Å; L93-L97 PolarHBondContact O-N 2.69Å
94H93.3Very high94Very high11 Ų1153.5 Ų53.55%0.05128%0.284CS..Hα-helixtrans-61.7-47.3176.6-179.6-83.9000111.5F90 Q96 L97 L98 L119 D120 M123F90-H94 HydrophobicContact CD1-CB 4.47Å; F90-H94 HydrophobicContact CE1-CB 4.19Å; F90-H94 HydrophobicContact CZ-CB 4.37Å; F90-H94 AromaticContact CZ-CD2 3.93Å; F90-H94 WeakPolarHBondContact O-CB 3.26Å; F90-H94 PolarHBondContact O-N 3.07Å; H94-Q96 PolarHBondContact O-N 2.91Å; H94-L97 PolarHBondContact O-N 3.48Å; H94-L98 WeakPolarHBondContact CE1-CD1 3.43Å; H94-L98 WeakPolarHBondContact O-CB 3.41Å; H94-L98 PolarHBondContact O-N 3.18Å; H94-L119 PolarHBondContact NE2-O 3.45Å; H94-D120 IonicContact CE1-OD1 3.35Å; H94-D120 IonicContact NE2-OD1 2.61Å; H94-M123 HydrophobicContact CB-CE 3.51Å; H94-M123 WeakPolarHBondContact ND1-CE 3.36Å
95S93.7Very high93.9Very high67 Ų6752.4 Ų52.447%0.46929%0.285SS..Hα-helixtrans-63.2-42179.1-61.10000112.1I91 Q92 G99I91-S95 VanDerWaalsContact O-CB 3.22Å; I91-S95 WeakPolarHBondContact O-CB 3.32Å; I91-S95 PolarHBondContact O-N 3.39Å; I91-S95 PolarHBondContact O-OG 3.1Å; Q92-S95 PolarHBondContact O-N 2.85Å; S95-G99 WeakPolarHBondContact O-CA 3.25Å; S95-G99 PolarHBondContact O-N 3.13Å
96Q95.8Very high93.9Very high76 Ų7652.1 Ų52.136%0.35529%0.293SS..Hα-helixtrans-64.5-45.3176.2-73.6178.1-23.700111.9F63 Q92 L93 H94 C100F63-Q96 HydrophobicContact CD1-CB 3.79Å; F63-Q96 HydrophobicContact CE1-CB 4.17Å; Q92-Q96 WeakPolarHBondContact O-CB 3.46Å; Q92-Q96 VanDerWaalsContact O-CG 3.27Å; Q92-Q96 WeakPolarHBondContact O-CG 3.38Å; Q92-Q96 PolarHBondContact O-N 3.33Å; L93-Q96 PolarHBondContact O-N 2.75Å; H94-Q96 PolarHBondContact O-N 2.91Å; Q96-C100 PolarHBondContact O-N 2.91Å; Q96-C100 VanDerWaalsContact O-N 3.15Å
97L94.5Very high93.7Very high1 Ų157.2 Ų57.21%0.00531%0.312CS..Hα-helixtrans-64-60.3178.7177.259.1000110.8F63 F64 F67 L93 H94 G99 C100 L101F63-L97 HydrophobicContact CB-CB 4.41Å; F63-L97 HydrophobicContact CB-CD1 4.16Å; F64-L97 HydrophobicContact CB-CD1 4.25Å; F64-L97 HydrophobicContact CD2-CD1 4.06Å; F67-L97 HydrophobicContact CB-CD2 3.94Å; F67-L97 HydrophobicContact CD1-CD2 3.98Å; F67-L97 HydrophobicContact CD2-CD2 4.19Å; F67-L97 HydrophobicContact CG-CD2 3.77Å; L93-L97 VanDerWaalsContact O-CB 3.28Å; L93-L97 WeakPolarHBondContact O-CB 3.37Å; L93-L97 PolarHBondContact O-N 2.69Å; H94-L97 PolarHBondContact O-N 3.48Å; L97-G99 VanDerWaalsContact C-N 3.26Å; L97-G99 PolarHBondContact O-N 2.81Å; L97-C100 PolarHBondContact O-N 3.02Å; L97-C100 VanDerWaalsContact O-N 3.08Å; L97-L101 HydrophobicContact CD1-CD1 3.85Å; L97-L101 HydrophobicContact CD1-CD2 4.17Å; L97-L101 HydrophobicContact CD1-CG 3.89Å; L97-L101 HydrophobicContact CD2-CD1 4.5Å; L97-L101 HydrophobicContact CG-CD1 3.81Å; L97-L101 HydrophobicContact CG-CG 4.24Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.14Å; L97-L101 PolarHBondContact O-N 3.46Å
98L92.8Very high93.6Very high7 Ų754.3 Ų54.34%0.03730%0.301CS..Hα-helixtrans-61.4-36-178.2-72.6-160.8000112.3H94 C100 L101 K102 M112 L119 D120H94-L98 WeakPolarHBondContact CE1-CD1 3.43Å; H94-L98 WeakPolarHBondContact O-CB 3.41Å; H94-L98 PolarHBondContact O-N 3.18Å; L98-C100 VanDerWaalsContact C-N 3.31Å; L98-C100 PolarHBondContact O-N 2.55Å; L98-L101 HydrophobicContact CD2-CD1 4.04Å; L98-L101 PolarHBondContact O-N 3.15Å; L98-K102 WeakPolarHBondContact O-CB 3.44Å; L98-K102 VanDerWaalsContact O-CG 3.23Å; L98-K102 WeakPolarHBondContact O-CG 3.27Å; L98-K102 PolarHBondContact O-N 3.04Å; L98-M112 HydrophobicContact CD2-SD 4.3Å; L98-L119 HydrophobicContact CD2-CD1 4.18Å; L98-D120 WeakPolarHBondContact CD1-OD1 3.37Å
99G94.4Very high93.3Very high44 Ų4456.4 Ų56.445%0.45431%0.306SS..Hα-helixtrans-57.3-45.6174.600000111.8S95 L97 A103S95-G99 WeakPolarHBondContact O-CA 3.25Å; S95-G99 PolarHBondContact O-N 3.13Å; L97-G99 VanDerWaalsContact C-N 3.26Å; L97-G99 PolarHBondContact O-N 2.81Å; G99-A103 PolarHBondContact O-N 3.09Å
100C96.6Very high92.9Very high18 Ų1857.8 Ų57.812%0.12232%0.319CS..Hα-helixtrans-69.4-45.8175.4-173.80000112.4C60 F63 Q96 L97 L98 K102 A103 H104C60-C100 WeakPolarHBondContact CA-SG 3.5Å; C60-C100 HydrophobicContact CB-CB 3.78Å; C60-C100 WeakPolarHBondContact CB-SG 3.3Å; C60-C100 WeakPolarHBondContact SG-CB 3.49Å; C60-C100 PolarHBondContact SG-O 3.47Å; C60-C100 CovalentContact SG-SG 2.04Å; C60-C100 PolarHBondContact SG-SG 3.13Å; F63-C100 HydrophobicContact CD2-CB 3.53Å; F63-C100 HydrophobicContact CE2-CB 3.79Å; F63-C100 HydrophobicContact CG-CB 4.46Å; Q96-C100 PolarHBondContact O-N 2.91Å; Q96-C100 VanDerWaalsContact O-N 3.15Å; L97-C100 PolarHBondContact O-N 3.02Å; L97-C100 VanDerWaalsContact O-N 3.08Å; L98-C100 VanDerWaalsContact C-N 3.31Å; L98-C100 PolarHBondContact O-N 2.55Å; C100-K102 VanDerWaalsContact C-N 3.26Å; C100-K102 PolarHBondContact O-N 3.48Å; C100-A103 WeakPolarHBondContact O-CA 3.34Å; C100-A103 WeakPolarHBondContact O-CB 3.33Å; C100-A103 PolarHBondContact O-N 3.11Å; C100-H104 PolarHBondContact O-CD2 3.36Å; C100-H104 PolarHBondContact O-N 2.64Å
101L93.4Very high92.6Very high0 Ų058.4 Ų58.40%032%0.322CS..Hα-helixtrans-58.8-39.9-178.4-63.9176.2000111.6C60 L97 L98 A103 H104 Y108 F111 M112C60-L101 HydrophobicContact CB-CD2 4.01Å; L97-L101 HydrophobicContact CD1-CD1 3.85Å; L97-L101 HydrophobicContact CD1-CD2 4.17Å; L97-L101 HydrophobicContact CD1-CG 3.89Å; L97-L101 HydrophobicContact CD2-CD1 4.5Å; L97-L101 HydrophobicContact CG-CD1 3.81Å; L97-L101 HydrophobicContact CG-CG 4.24Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.14Å; L97-L101 PolarHBondContact O-N 3.46Å; L98-L101 HydrophobicContact CD2-CD1 4.04Å; L98-L101 PolarHBondContact O-N 3.15Å; L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 2.86Å; L101-H104 CarbonylContact O-C 3.52Å; L101-H104 VanDerWaalsContact O-C 3.24Å; L101-H104 PolarHBondContact O-N 2.54Å; L101-Y108 HydrophobicContact CD2-CD1 3.42Å; L101-Y108 VanDerWaalsContact CD2-CD1 3.42Å; L101-Y108 HydrophobicContact CD2-CD2 3.55Å; L101-Y108 HydrophobicContact CD2-CE1 3.76Å; L101-Y108 HydrophobicContact CD2-CE2 3.89Å; L101-Y108 HydrophobicContact CD2-CG 3.3Å; L101-F111 HydrophobicContact CD1-CD1 3.58Å; L101-F111 HydrophobicContact CD1-CE1 3.47Å; L101-F111 VanDerWaalsContact CD1-CE1 3.47Å; L101-M112 HydrophobicContact CB-CG 4.45Å; L101-M112 HydrophobicContact CB-SD 3.69Å; L101-M112 HydrophobicContact CD1-SD 3.83Å; L101-M112 HydrophobicContact CG-SD 4.4Å
102K93Very high92.4Very high136 Ų13657.4 Ų57.459%0.59132%0.316SS*.Hα-helixtrans-64.7-27.1174.5-73172.6-178.6176.50113.3L98 C100 H104 P105 M112L98-K102 WeakPolarHBondContact O-CB 3.44Å; L98-K102 VanDerWaalsContact O-CG 3.23Å; L98-K102 WeakPolarHBondContact O-CG 3.27Å; L98-K102 PolarHBondContact O-N 3.04Å; C100-K102 VanDerWaalsContact C-N 3.26Å; C100-K102 PolarHBondContact O-N 3.48Å; K102-H104 VanDerWaalsContact C-N 3.29Å; K102-P105 WeakPolarHBondContact O-CD 3.42Å; K102-M112 HydrophobicContact CG-CE 4.3Å
103A95.7Very high92.1Very high68 Ų6858.2 Ų58.256%0.56232%0.324SS*.Hα-helixtrans-77-16173.500000113G99 C100 L101 P105G99-A103 PolarHBondContact O-N 3.09Å; C100-A103 WeakPolarHBondContact O-CA 3.34Å; C100-A103 WeakPolarHBondContact O-CB 3.33Å; C100-A103 PolarHBondContact O-N 3.11Å; L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 2.86Å; A103-P105 VanDerWaalsContact C-CD 3.41Å
104H94.4Very high91.6Very high76 Ų7663 Ų6335%0.35235%0.346SS..SBendtrans-128.154.3-179.6-61.7-73.5000112.4P59 C100 L101 K102 V106 Y107 Y108P59-H104 HydrophobicContact CG-CB 4.03Å; P59-H104 VanDerWaalsContact CG-CG 3.5Å; C100-H104 PolarHBondContact O-CD2 3.36Å; C100-H104 PolarHBondContact O-N 2.64Å; L101-H104 CarbonylContact O-C 3.52Å; L101-H104 VanDerWaalsContact O-C 3.24Å; L101-H104 PolarHBondContact O-N 2.54Å; K102-H104 VanDerWaalsContact C-N 3.29Å; H104-V106 VanDerWaalsContact C-N 3.32Å; H104-V106 PolarHBondContact O-N 3.41Å; H104-Y107 PolarHBondContact O-N 2.61Å; H104-Y107 VanDerWaalsContact O-N 3.17Å; H104-Y108 HydrophobicContact CB-CD2 3.8Å; H104-Y108 HydrophobicContact CB-CE2 4.1Å; H104-Y108 PolarHBondContact O-N 3.21Å; H104-Y108 VanDerWaalsContact O-N 3.1Å
105P90.9Very high91.2Very high77 Ų7766.8 Ų66.850%0.536%0.361SS..THydrogen-bonded Turntrans-65.9-32.8-16827.6-35.5000113.1K102 A103 K109K102-P105 WeakPolarHBondContact O-CD 3.42Å; A103-P105 VanDerWaalsContact C-CD 3.41Å; P105-K109 WeakPolarHBondContact O-CA 3.38Å; P105-K109 WeakPolarHBondContact O-CB 3.04Å; P105-K109 PolarHBondContact O-N 3.49Å
106V90.7Very high90.8Very high137 Ų13764.3 Ų64.383%0.8335%0.345SS*.THydrogen-bonded Turntrans-67.5-40.3178.5179.30000111H104H104-V106 VanDerWaalsContact C-N 3.32Å; H104-V106 PolarHBondContact O-N 3.41Å
107Y88.7Confident90.3Very high119 Ų11964.8 Ų64.847%0.46736%0.356SS..THydrogen-bonded Turntrans-73-41.2-178.1-167.7-82.6000111.5G58 H104G58-Y107 VanDerWaalsContact CA-CE1 3.49Å; G58-Y107 WeakPolarHBondContact CA-OH 3.03Å; H104-Y107 PolarHBondContact O-N 2.61Å; H104-Y107 VanDerWaalsContact O-N 3.17Å
108Y90Very high89.9Confident1 Ų168.2 Ų68.20%0.00438%0.378CS..SBendtrans-100.917.2-175.1-68.6-74.6000114.2Y55 G58 P59 C60 L101 H104 S110 F111 M112Y55-Y108 HydrophobicContact CD1-CD1 4.36Å; Y55-Y108 PolarHBondContact O-OH 2.79Å; Y55-Y108 VanDerWaalsContact O-OH 3.1Å; G58-Y108 VanDerWaalsContact C-OH 3.22Å; G58-Y108 WeakPolarHBondContact CA-OH 3.31Å; P59-Y108 HydrophobicContact CG-CE2 3.96Å; C60-Y108 WeakPolarHBondContact CA-OH 3.28Å; C60-Y108 HydrophobicContact CB-CE2 3.63Å; C60-Y108 WeakPolarHBondContact CB-OH 3.45Å; C60-Y108 PolarHBondContact N-OH 2.93Å; C60-Y108 WeakPolarHBondContact SG-CE2 3.48Å; L101-Y108 HydrophobicContact CD2-CD1 3.42Å; L101-Y108 VanDerWaalsContact CD2-CD1 3.42Å; L101-Y108 HydrophobicContact CD2-CD2 3.55Å; L101-Y108 HydrophobicContact CD2-CE1 3.76Å; L101-Y108 HydrophobicContact CD2-CE2 3.89Å; L101-Y108 HydrophobicContact CD2-CG 3.3Å; H104-Y108 HydrophobicContact CB-CD2 3.8Å; H104-Y108 HydrophobicContact CB-CE2 4.1Å; H104-Y108 PolarHBondContact O-N 3.21Å; H104-Y108 VanDerWaalsContact O-N 3.1Å; Y108-S110 VanDerWaalsContact C-N 3.35Å; Y108-S110 PolarHBondContact O-N 2.9Å; Y108-F111 PolarHBondContact O-N 3.48Å; Y108-F111 VanDerWaalsContact O-N 3.15Å; Y108-M112 WeakPolarHBondContact O-CG 3.22Å; Y108-M112 PolarHBondContact O-N 3.46Å
109K88.8Confident89.5Confident129 Ų12968.7 Ų68.756%0.56138%0.381SS*.Hα-helixtrans-52.3-50.8-177-178.1176.2177.4178.10112.4P105 F111 M112 D113P105-K109 WeakPolarHBondContact O-CA 3.38Å; P105-K109 WeakPolarHBondContact O-CB 3.04Å; P105-K109 PolarHBondContact O-N 3.49Å; K109-F111 VanDerWaalsContact C-N 3.32Å; K109-F111 PolarHBondContact O-N 3.31Å; K109-M112 PolarHBondContact O-N 3.35Å; K109-D113 WeakPolarHBondContact CE-OD2 3.41Å; K109-D113 WeakPolarHBondContact CG-OD2 2.89Å; K109-D113 WeakPolarHBondContact O-CB 3.47Å; K109-D113 VanDerWaalsContact O-CG 3.23Å; K109-D113 PolarHBondContact O-N 3.43Å
110S86.3Confident89Confident69 Ų6970 Ų7048%0.48338%0.378SS..Hα-helixtrans-59.2-43.4-179.356.20000112.3Y108 E114Y108-S110 VanDerWaalsContact C-N 3.35Å; Y108-S110 PolarHBondContact O-N 2.9Å; S110-E114 WeakPolarHBondContact O-CB 3.44Å; S110-E114 PolarHBondContact O-N 3.26Å
111F87Confident88.5Confident13 Ų1371.9 Ų71.96%0.05739%0.391CS..Hα-helixtrans-64.1-44.8177-176.9-91.7000111.7Y55 F64 L101 Y108 K109 E114 Y115 L119Y55-F111 HydrophobicContact CD1-CB 4.11Å; Y55-F111 HydrophobicContact CD1-CD2 4.25Å; Y55-F111 HydrophobicContact CD1-CG 4.49Å; Y55-F111 AromaticContact CD2-CD2 3.9Å; Y55-F111 HydrophobicContact CD2-CD2 3.9Å; Y55-F111 HydrophobicContact CD2-CE2 4.41Å; Y55-F111 HydrophobicContact CE1-CB 3.63Å; Y55-F111 HydrophobicContact CE1-CD2 4.04Å; Y55-F111 HydrophobicContact CE1-CG 4.28Å; Y55-F111 AromaticContact CE2-CD2 3.64Å; Y55-F111 HydrophobicContact CE2-CD2 3.64Å; Y55-F111 HydrophobicContact CE2-CE2 4.34Å; Y55-F111 HydrophobicContact CG-CD2 4.2Å; Y55-F111 AromaticContact CZ-CD2 3.71Å; F64-F111 AromaticContact CE2-CD2 3.94Å; F64-F111 HydrophobicContact CE2-CD2 3.94Å; F64-F111 HydrophobicContact CE2-CE1 4.49Å; F64-F111 AromaticContact CE2-CE2 3.44Å; F64-F111 HydrophobicContact CE2-CE2 3.44Å; F64-F111 VanDerWaalsContact CE2-CE2 3.44Å; F64-F111 AromaticContact CE2-CZ 3.75Å; F64-F111 HydrophobicContact CE2-CZ 3.75Å; F64-F111 HydrophobicContact CZ-CD2 4.45Å; F64-F111 AromaticContact CZ-CE2 3.88Å; F64-F111 HydrophobicContact CZ-CE2 3.88Å; F64-F111 HydrophobicContact CZ-CZ 4.46Å; L101-F111 HydrophobicContact CD1-CD1 3.58Å; L101-F111 HydrophobicContact CD1-CE1 3.47Å; L101-F111 VanDerWaalsContact CD1-CE1 3.47Å; Y108-F111 PolarHBondContact O-N 3.48Å; Y108-F111 VanDerWaalsContact O-N 3.15Å; K109-F111 VanDerWaalsContact C-N 3.32Å; K109-F111 PolarHBondContact O-N 3.31Å; F111-E114 PolarHBondContact O-N 3.5Å; F111-Y115 AromaticContact CD2-CD2 3.48Å; F111-Y115 HydrophobicContact CD2-CD2 3.48Å; F111-Y115 VanDerWaalsContact CD2-CD2 3.48Å; F111-Y115 HydrophobicContact CD2-CE2 4.19Å; F111-Y115 HydrophobicContact CD2-CG 4.15Å; F111-Y115 AromaticContact CE2-CD2 3.55Å; F111-Y115 HydrophobicContact CE2-CD2 3.55Å; F111-Y115 HydrophobicContact CE2-CE2 4.33Å; F111-Y115 AromaticContact CE2-CG 3.78Å; F111-Y115 HydrophobicContact CE2-CG 3.78Å; F111-Y115 HydrophobicContact CG-CD2 4.14Å; F111-Y115 HydrophobicContact CZ-CD2 4.28Å; F111-Y115 HydrophobicContact CZ-CG 4.13Å; F111-Y115 WeakPolarHBondContact O-CA 3.15Å; F111-Y115 WeakPolarHBondContact O-CB 3.41Å; F111-Y115 PolarHBondContact O-N 3.37Å; F111-L119 HydrophobicContact CE1-CD1 3.97Å; F111-L119 HydrophobicContact CZ-CD1 3.99Å
112M89.6Confident87.9Confident40 Ų4073.4 Ų73.420%0.19740%0.399CS..Hα-helixtrans-66.5-41.2-178.6-69.4-63.1-66.900111.6L98 L101 K102 Y108 K109 E114 A116L98-M112 HydrophobicContact CD2-SD 4.3Å; L101-M112 HydrophobicContact CB-CG 4.45Å; L101-M112 HydrophobicContact CB-SD 3.69Å; L101-M112 HydrophobicContact CD1-SD 3.83Å; L101-M112 HydrophobicContact CG-SD 4.4Å; K102-M112 HydrophobicContact CG-CE 4.3Å; Y108-M112 WeakPolarHBondContact O-CG 3.22Å; Y108-M112 PolarHBondContact O-N 3.46Å; K109-M112 PolarHBondContact O-N 3.35Å; M112-E114 VanDerWaalsContact C-N 3.27Å; M112-E114 PolarHBondContact O-N 3.02Å; M112-A116 HydrophobicContact CE-CB 3.84Å; M112-A116 WeakPolarHBondContact O-CB 3.42Å; M112-A116 PolarHBondContact O-N 3.02Å; M112-A116 VanDerWaalsContact O-N 3.13Å; M112-A116 HydrophobicContact SD-CB 4.33Å
113D88.6Confident87.5Confident122 Ų12268 Ų6865%0.65238%0.376SS*.Hα-helixtrans-63.3-34.3178-69-14.3000111.6K109K109-D113 WeakPolarHBondContact CE-OD2 3.41Å; K109-D113 WeakPolarHBondContact CG-OD2 2.89Å; K109-D113 WeakPolarHBondContact O-CB 3.47Å; K109-D113 VanDerWaalsContact O-CG 3.23Å; K109-D113 PolarHBondContact O-N 3.43Å
114E85.1Confident86.9Confident111 Ų11171.4 Ų71.452%0.51938%0.378SS..Hα-helixtrans-91-39.8-177.1-168.6179.5165.800113.6S110 F111 M112S110-E114 WeakPolarHBondContact O-CB 3.44Å; S110-E114 PolarHBondContact O-N 3.26Å; F111-E114 PolarHBondContact O-N 3.5Å; M112-E114 VanDerWaalsContact C-N 3.27Å; M112-E114 PolarHBondContact O-N 3.02Å
115Y85.4Confident86.1Confident91 Ų9173.3 Ų73.336%0.35739%0.391SS..Hα-helixtrans-117.4-11.3-165.8-62.6-77.9000115.4F111 S117 P118 L119F111-Y115 AromaticContact CD2-CD2 3.48Å; F111-Y115 HydrophobicContact CD2-CD2 3.48Å; F111-Y115 VanDerWaalsContact CD2-CD2 3.48Å; F111-Y115 HydrophobicContact CD2-CE2 4.19Å; F111-Y115 HydrophobicContact CD2-CG 4.15Å; F111-Y115 AromaticContact CE2-CD2 3.55Å; F111-Y115 HydrophobicContact CE2-CD2 3.55Å; F111-Y115 HydrophobicContact CE2-CE2 4.33Å; F111-Y115 AromaticContact CE2-CG 3.78Å; F111-Y115 HydrophobicContact CE2-CG 3.78Å; F111-Y115 HydrophobicContact CG-CD2 4.14Å; F111-Y115 HydrophobicContact CZ-CD2 4.28Å; F111-Y115 HydrophobicContact CZ-CG 4.13Å; F111-Y115 WeakPolarHBondContact O-CA 3.15Å; F111-Y115 WeakPolarHBondContact O-CB 3.41Å; F111-Y115 PolarHBondContact O-N 3.37Å; Y115-S117 PolarHBondContact O-N 3.04Å; Y115-P118 WeakPolarHBondContact O-CD 3.4Å; Y115-L119 WeakPolarHBondContact O-CB 3.46Å; Y115-L119 VanDerWaalsContact O-CG 3.26Å; Y115-L119 WeakPolarHBondContact O-CG 3.32Å; Y115-L119 PolarHBondContact O-N 3.31Å
116A84.9Confident85.7Confident16 Ų1670.2 Ų70.213%0.13237%0.37CS..Hα-helixtrans-61.9-46.6-179.600000111.8M112 L119 D120M112-A116 HydrophobicContact CE-CB 3.84Å; M112-A116 WeakPolarHBondContact O-CB 3.42Å; M112-A116 PolarHBondContact O-N 3.02Å; M112-A116 VanDerWaalsContact O-N 3.13Å; M112-A116 HydrophobicContact SD-CB 4.33Å; A116-L119 PolarHBondContact O-N 2.86Å; A116-D120 WeakPolarHBondContact O-CB 3.39Å; A116-D120 PolarHBondContact O-N 2.83Å
117S86Confident85.2Confident85 Ų8573.3 Ų73.359%0.59438%0.376SS*.Hα-helixtrans-65.7-45.2179.7173.70000113.3Y115 L119 D120 S121Y115-S117 PolarHBondContact O-N 3.04Å; S117-L119 VanDerWaalsContact C-N 3.31Å; S117-L119 PolarHBondContact O-N 3.25Å; S117-D120 PolarHBondContact O-N 2.94Å; S117-S121 PolarHBondContact O-N 2.87Å; S117-S121 PolarHBondContact O-OG 3.4Å
118P85.4Confident85Confident73 Ų7371.1 Ų71.147%0.47437%0.371SS..Hα-helixtrans-57-41.1171.9-29.134.5000113.9Y115 S121 L122Y115-P118 WeakPolarHBondContact O-CD 3.4Å; P118-S121 PolarHBondContact O-N 3.12Å; P118-L122 PolarHBondContact O-N 3.32Å
119L84.2Confident84.7Confident18 Ų1874.7 Ų74.79%0.09439%0.391CS..Hα-helixtrans-67.2-43.1178.1-74.2172.6000112F67 H94 L98 F111 Y115 A116 S117 S121 L122 M123F67-L119 HydrophobicContact CE1-CD2 4.03Å; F67-L119 HydrophobicContact CE2-CD2 4.38Å; F67-L119 HydrophobicContact CZ-CD2 3.53Å; H94-L119 PolarHBondContact NE2-O 3.45Å; L98-L119 HydrophobicContact CD2-CD1 4.18Å; F111-L119 HydrophobicContact CE1-CD1 3.97Å; F111-L119 HydrophobicContact CZ-CD1 3.99Å; Y115-L119 WeakPolarHBondContact O-CB 3.46Å; Y115-L119 VanDerWaalsContact O-CG 3.26Å; Y115-L119 WeakPolarHBondContact O-CG 3.32Å; Y115-L119 PolarHBondContact O-N 3.31Å; A116-L119 PolarHBondContact O-N 2.86Å; S117-L119 VanDerWaalsContact C-N 3.31Å; S117-L119 PolarHBondContact O-N 3.25Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.3Å; L119-L122 PolarHBondContact O-N 2.97Å; L119-M123 PolarHBondContact O-N 3.33Å
120D85.4Confident84.5Confident72 Ų7271.7 Ų71.739%0.38538%0.381SS..Hα-helixtrans-65.3-34.2175.7-73.5-22.1000111.9H94 L98 A116 S117 M123 K124H94-D120 IonicContact CE1-OD1 3.35Å; H94-D120 IonicContact NE2-OD1 2.61Å; L98-D120 WeakPolarHBondContact CD1-OD1 3.37Å; A116-D120 WeakPolarHBondContact O-CB 3.39Å; A116-D120 PolarHBondContact O-N 2.83Å; S117-D120 PolarHBondContact O-N 2.94Å; D120-M123 WeakPolarHBondContact O-CB 3.41Å; D120-M123 PolarHBondContact O-N 3.4Å; D120-K124 PolarHBondContact O-N 2.71Å
121S84.9Confident84.4Confident56 Ų5671.9 Ų71.939%0.39238%0.375SS..Hα-helixtrans-65.3-44.3172.5-68.80000111.4S117 P118 L119 M123 K124 D125S117-S121 PolarHBondContact O-N 2.87Å; S117-S121 PolarHBondContact O-OG 3.4Å; P118-S121 PolarHBondContact O-N 3.12Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.3Å; S121-M123 PolarHBondContact O-N 3.41Å; S121-K124 WeakPolarHBondContact O-CB 3.16Å; S121-K124 PolarHBondContact O-N 3.21Å; S121-D125 PolarHBondContact O-N 3.05Å
122L81Confident84.2Confident33 Ų3375.6 Ų75.617%0.17340%0.395CS..Hα-helixtrans-61.7-34.3176.4-169.562.1000111.6L75 F81 F90 P118 L119 K124 D125 V126L75-L122 HydrophobicContact CD2-CD2 4.47Å; F81-L122 HydrophobicContact CE2-CD1 3.67Å; F81-L122 HydrophobicContact CE2-CG 4.26Å; F81-L122 HydrophobicContact CZ-CD1 4.03Å; F81-L122 HydrophobicContact CZ-CD2 4.46Å; F81-L122 HydrophobicContact CZ-CG 4.13Å; F90-L122 HydrophobicContact CD2-CD2 4.46Å; F90-L122 HydrophobicContact CE1-CG 4.24Å; F90-L122 HydrophobicContact CE2-CD2 3.42Å; F90-L122 VanDerWaalsContact CE2-CD2 3.42Å; F90-L122 HydrophobicContact CE2-CG 4Å; F90-L122 HydrophobicContact CZ-CB 3.97Å; F90-L122 HydrophobicContact CZ-CD2 3.46Å; F90-L122 VanDerWaalsContact CZ-CD2 3.46Å; F90-L122 HydrophobicContact CZ-CG 3.59Å; P118-L122 PolarHBondContact O-N 3.32Å; L119-L122 PolarHBondContact O-N 2.97Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 3.26Å; L122-D125 PolarHBondContact O-N 2.82Å; L122-V126 WeakPolarHBondContact O-CG2 3.38Å
123M84.6Confident83.9Confident21 Ų2177.9 Ų77.910%0.10341%0.408CS..Hα-helixtrans-60.7-37.4173.9-174.66271.500112.8F90 I91 H94 L119 D120 S121 D125 V126 E127F90-M123 HydrophobicContact CD1-CE 4.22Å; F90-M123 HydrophobicContact CD1-SD 4.35Å; F90-M123 HydrophobicContact CE1-CB 4.43Å; F90-M123 HydrophobicContact CE1-CE 3.91Å; F90-M123 HydrophobicContact CE1-SD 4.21Å; I91-M123 HydrophobicContact CG1-SD 3.84Å; H94-M123 HydrophobicContact CB-CE 3.51Å; H94-M123 WeakPolarHBondContact ND1-CE 3.36Å; L119-M123 PolarHBondContact O-N 3.33Å; D120-M123 WeakPolarHBondContact O-CB 3.41Å; D120-M123 PolarHBondContact O-N 3.4Å; S121-M123 PolarHBondContact O-N 3.41Å; M123-D125 PolarHBondContact O-N 2.81Å; M123-V126 WeakPolarHBondContact O-CB 3.41Å; M123-V126 PolarHBondContact O-N 3.25Å; M123-E127 PolarHBondContact O-N 3.36Å
124K84Confident83.5Confident141 Ų14174.8 Ų74.861%0.61339%0.391SS*.Hα-helixtrans-66.9-25.9178-65.6172.7-176.7172.20113D120 S121 L122 V126D120-K124 PolarHBondContact O-N 2.71Å; S121-K124 WeakPolarHBondContact O-CB 3.16Å; S121-K124 PolarHBondContact O-N 3.21Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 3.26Å; K124-V126 PolarHBondContact O-N 3.26Å
125D76.3Confident83.4Confident116 Ų11672 Ų7262%0.6238%0.381SS*.THydrogen-bonded Turntrans-76.4-12.8174.4-60.7-27.7000112.1S121 L122 M123S121-D125 PolarHBondContact O-N 3.05Å; L122-D125 PolarHBondContact O-N 2.82Å; M123-D125 PolarHBondContact O-N 2.81Å
126V82.4Confident83.3Confident11 Ų1170.4 Ų70.47%0.06738%0.383CS..THydrogen-bonded Turntrans-94.4-25.6178.8-173.90000112.7F81 R87 F90 I91 L122 M123 K124F81-V126 HydrophobicContact CD1-CB 4.48Å; F81-V126 HydrophobicContact CD1-CG1 4.35Å; F81-V126 HydrophobicContact CD1-CG2 3.49Å; F81-V126 VanDerWaalsContact CD1-CG2 3.49Å; F81-V126 HydrophobicContact CD2-CG2 4.17Å; F81-V126 HydrophobicContact CE1-CG2 3.41Å; F81-V126 VanDerWaalsContact CE1-CG2 3.41Å; F81-V126 HydrophobicContact CE2-CG2 4.1Å; F81-V126 HydrophobicContact CG-CG2 3.88Å; F81-V126 HydrophobicContact CZ-CG2 3.72Å; R87-V126 HydrophobicContact CB-CG1 3.57Å; R87-V126 HydrophobicContact CG-CG1 3.81Å; F90-V126 HydrophobicContact CD1-CB 4.41Å; F90-V126 HydrophobicContact CD1-CG2 3.57Å; F90-V126 HydrophobicContact CE1-CG2 3.99Å; F90-V126 HydrophobicContact CG-CG2 4.28Å; I91-V126 HydrophobicContact CD1-CG1 3.85Å; I91-V126 HydrophobicContact CG1-CG1 3.84Å; L122-V126 WeakPolarHBondContact O-CG2 3.38Å; M123-V126 WeakPolarHBondContact O-CB 3.41Å; M123-V126 PolarHBondContact O-N 3.25Å; K124-V126 PolarHBondContact O-N 3.26Å
127E80.1Confident83.1Confident203 Ų20375.4 Ų75.495%0.94941%0.406SS*.  trans-81.40178.9-68.4-177.7156.600112.7M123M123-E127 PolarHBondContact O-N 3.36Å

Retrieved 127 of 127 residues in 199.1 ms (Link to these results)

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