A0A060YPD1_ONCMY Loading...

Coiled-coil-helix-coiled-coil-helix domain containing 4a

AlphaFold DB , UniProt , Accession A0A060YPD1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene chchd4a, Length 168 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
1M76.1Confident88.3Confident194 Ų194124.4 Ų124.496%0.95663%0.625SS**  098.10-68.3-151.7-61.600107.9T16M1-T16 PolarHBondContact N-OG1 3.28Å
2S84.4Confident88.6Confident56 Ų56119.1 Ų119.139%0.39260%0.599SS.*  trans-56153.2168.748.90000112.2F14 D19S2-F14 CarbonylContact C-O 3.32Å; S2-F14 WeakPolarHBondContact CA-O 3.01Å; S2-F14 VanDerWaalsContact CB-O 3.24Å; S2-F14 WeakPolarHBondContact CB-O 3.1Å; S2-D19 WeakPolarHBondContact CB-OD2 3.24Å; S2-D19 PolarHBondContact N-OD2 2.86Å; S2-D19 PolarHBondContact OG-OD2 2.96Å
3Y87Confident88.7Confident139 Ų139117.8 Ų117.855%0.54559%0.593SS.*EExtended strand (participates in β ladder)trans-144.7151.1176.573.3-84.7000111.8F14Y3-F14 HydrophobicContact CD1-CB 3.92Å; Y3-F14 HydrophobicContact CD2-CD2 4.27Å; Y3-F14 HydrophobicContact CE1-CB 3.6Å; Y3-F14 HydrophobicContact CE1-CD2 4.24Å; Y3-F14 HydrophobicContact CE1-CG 4.01Å; Y3-F14 HydrophobicContact CE2-CB 4.43Å; Y3-F14 AromaticContact CE2-CD2 3.63Å; Y3-F14 HydrophobicContact CE2-CD2 3.63Å; Y3-F14 HydrophobicContact CE2-CE2 4.24Å; Y3-F14 HydrophobicContact CE2-CG 4.24Å; Y3-F14 HydrophobicContact CG-CB 4.46Å; Y3-F14 AromaticContact CZ-CD2 3.6Å; Y3-F14 AromaticContact CZ-CG 3.76Å; Y3-F14 PolarHBondContact N-O 3.48Å; Y3-F14 PolarHBondContact O-N 2.92Å
4C89.4Confident88.8Confident74 Ų74115.6 Ų115.650%0.558%0.578SS.*EExtended strand (participates in β ladder)trans-101.8132.5177-66.30000110.5I12C4-I12 CarbonylContact C-O 3.42Å; C4-I12 WeakPolarHBondContact CA-O 3.37Å
5K92.8Very high88.8Confident102 Ų102113.3 Ų113.344%0.44357%0.572SS.*EExtended strand (participates in β ladder)trans-110.3143.5164.9-166-173.3-174.7-167.80108.7E7 I12 F14K5-E7 HydrophobicContact CD-CG 4.22Å; K5-E7 WeakPolarHBondContact CE-OE1 3.11Å; K5-E7 HydrophobicContact CG-CG 4.42Å; K5-E7 IonicContact NZ-OE1 2.61Å; K5-E7 PolarHBondContact NZ-OE1 2.04Å; K5-I12 PolarHBondContact N-O 3.19Å; K5-I12 PolarHBondContact O-N 2.9Å; K5-F14 HydrophobicContact CB-CE2 4.11Å
6Q91.9Very high88.8Confident138 Ų138108.9 Ų108.965%0.64555%0.553SS**EExtended strand (participates in β ladder)trans-115.2122.7177.2-156163.120.900109.1D10 R11Q6-D10 WeakPolarHBondContact CA-O 3.33Å; Q6-R11 HydrophobicContact CG-CG 4.11Å
7E88Confident88.6Confident99 Ų99110.8 Ų110.846%0.46356%0.557SS.*EExtended strand (participates in β ladder)trans-122.9100.2178.6-64.8-158.9151.700108.8K5 K9 D10 I12K5-E7 HydrophobicContact CD-CG 4.22Å; K5-E7 WeakPolarHBondContact CE-OE1 3.11Å; K5-E7 HydrophobicContact CG-CG 4.42Å; K5-E7 IonicContact NZ-OE1 2.61Å; K5-E7 PolarHBondContact NZ-OE1 2.04Å; E7-K9 PolarHBondContact O-N 2.93Å; E7-K9 VanDerWaalsContact O-N 3.16Å; E7-D10 PolarHBondContact N-O 2.9Å; E7-D10 PolarHBondContact O-N 3.15Å; E7-D10 VanDerWaalsContact O-N 3.09Å; E7-I12 HydrophobicContact CB-CD1 4.36Å; E7-I12 HydrophobicContact CG-CD1 4.09Å
8G89.8Confident88.3Confident77 Ų77111.5 Ų111.579%0.79456%0.558SS**THydrogen-bonded Turntrans64.4-114.1-173.500000111.9
9K90.9Very high87.7Confident202 Ų202108.9 Ų108.988%0.87855%0.546SS*.THydrogen-bonded Turntrans-87.4-19.2178.1-62.2-179.1-176.3178.30112.4E7E7-K9 PolarHBondContact O-N 2.93Å; E7-K9 VanDerWaalsContact O-N 3.16Å
10D90.6Very high87.3Confident113 Ų113111.1 Ų111.160%0.60455%0.554SS**EExtended strand (participates in β ladder)trans-91138-166.8-55.5-57.7000111.3Q6 E7Q6-D10 WeakPolarHBondContact CA-O 3.33Å; E7-D10 PolarHBondContact N-O 2.9Å; E7-D10 PolarHBondContact O-N 3.15Å; E7-D10 VanDerWaalsContact O-N 3.09Å
11R90.8Very high87.2Confident174 Ų174111.6 Ų111.666%0.65756%0.555SS**EExtended strand (participates in β ladder)trans-106.6107.6174.3-72.6-179.964.2176.9-1.6108.8Q6Q6-R11 HydrophobicContact CG-CG 4.11Å
12I91.4Very high87.4Confident61 Ų61105 Ų10531%0.31353%0.531SS..EExtended strand (participates in β ladder)trans-94.1115.4179.6-51.8174.1000107.7C4 K5 E7 F14C4-I12 CarbonylContact C-O 3.42Å; C4-I12 WeakPolarHBondContact CA-O 3.37Å; K5-I12 PolarHBondContact N-O 3.19Å; K5-I12 PolarHBondContact O-N 2.9Å; E7-I12 HydrophobicContact CB-CD1 4.36Å; E7-I12 HydrophobicContact CG-CD1 4.09Å; I12-F14 HydrophobicContact CB-CE2 4.17Å; I12-F14 HydrophobicContact CG2-CD2 4.15Å; I12-F14 HydrophobicContact CG2-CE1 4.41Å; I12-F14 HydrophobicContact CG2-CE2 3.49Å; I12-F14 VanDerWaalsContact CG2-CE2 3.49Å; I12-F14 HydrophobicContact CG2-CZ 3.65Å
13I90.1Very high87.1Confident102 Ų102108.3 Ų108.352%0.52355%0.551SS.*EExtended strand (participates in β ladder)trans-101.1114.9-179.6-49.7-176.2000108.5V15I13-V15 HydrophobicContact CG2-CG2 3.92Å
14F90.1Very high86.5Confident88 Ų88107 Ų10739%0.38656%0.562SS.*EExtended strand (participates in β ladder)trans-92.1101174-68.3-85.4000108.7S2 Y3 K5 I12S2-F14 CarbonylContact C-O 3.32Å; S2-F14 WeakPolarHBondContact CA-O 3.01Å; S2-F14 VanDerWaalsContact CB-O 3.24Å; S2-F14 WeakPolarHBondContact CB-O 3.1Å; Y3-F14 HydrophobicContact CD1-CB 3.92Å; Y3-F14 HydrophobicContact CD2-CD2 4.27Å; Y3-F14 HydrophobicContact CE1-CB 3.6Å; Y3-F14 HydrophobicContact CE1-CD2 4.24Å; Y3-F14 HydrophobicContact CE1-CG 4.01Å; Y3-F14 HydrophobicContact CE2-CB 4.43Å; Y3-F14 AromaticContact CE2-CD2 3.63Å; Y3-F14 HydrophobicContact CE2-CD2 3.63Å; Y3-F14 HydrophobicContact CE2-CE2 4.24Å; Y3-F14 HydrophobicContact CE2-CG 4.24Å; Y3-F14 HydrophobicContact CG-CB 4.46Å; Y3-F14 AromaticContact CZ-CD2 3.6Å; Y3-F14 AromaticContact CZ-CG 3.76Å; Y3-F14 PolarHBondContact N-O 3.48Å; Y3-F14 PolarHBondContact O-N 2.92Å; K5-F14 HydrophobicContact CB-CE2 4.11Å; I12-F14 HydrophobicContact CB-CE2 4.17Å; I12-F14 HydrophobicContact CG2-CD2 4.15Å; I12-F14 HydrophobicContact CG2-CE1 4.41Å; I12-F14 HydrophobicContact CG2-CE2 3.49Å; I12-F14 VanDerWaalsContact CG2-CE2 3.49Å; I12-F14 HydrophobicContact CG2-CZ 3.65Å
15V89.4Confident85.8Confident80 Ų80111 Ų11149%0.48558%0.578SS.*  trans-87.1132179-172.50000109.8I13 D19 H20I13-V15 HydrophobicContact CG2-CG2 3.92Å; V15-D19 HydrophobicContact CG1-CB 3.92Å; V15-H20 HydrophobicContact CG1-CB 3.87Å
16T88.4Confident84.8Confident44 Ų44109.7 Ų109.727%0.2759%0.587SS.*  trans-81.7152.8171.742.90000110.6M1 E18 D19 H20M1-T16 PolarHBondContact N-OG1 3.28Å; T16-E18 PolarHBondContact O-N 3.06Å; T16-E18 VanDerWaalsContact O-N 3.16Å; T16-D19 WeakPolarHBondContact O-CA 3.36Å; T16-D19 PolarHBondContact O-N 2.67Å; T16-D19 PolarHBondContact OG1-OD1 3.13Å; T16-D19 VanDerWaalsContact OG1-OD1 3.04Å; T16-D19 PolarHBondContact OG1-OD2 2.97Å; T16-H20 PolarHBondContact O-N 2.91Å; T16-H20 VanDerWaalsContact O-N 3.07Å
17K85.2Confident83.5Confident141 Ų141111.2 Ų111.261%0.61359%0.594SS**Hα-helixtrans-53.4-41.7-175.3-175.3174.5-176.8-83.60111.9D19 H20 E21K17-D19 VanDerWaalsContact C-N 3.32Å; K17-D19 PolarHBondContact O-N 2.93Å; K17-H20 PolarHBondContact O-N 3.49Å; K17-E21 WeakPolarHBondContact CE-OE1 3.19Å; K17-E21 IonicContact NZ-OE1 3.81Å; K17-E21 PolarHBondContact NZ-OE1 3.17Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 3.4Å
18E82.6Confident82.3Confident123 Ų123114.2 Ų114.258%0.57561%0.613SS**Hα-helixtrans-67.7-30.5179.6-55.372.2-157.300112.6T16T16-E18 PolarHBondContact O-N 3.06Å; T16-E18 VanDerWaalsContact O-N 3.16Å
19D78.2Confident81.1Confident63 Ų63116.6 Ų116.634%0.33761%0.605SS.*Hα-helixtrans-81-21177-6823.8000111.1S2 V15 T16 K17S2-D19 WeakPolarHBondContact CB-OD2 3.24Å; S2-D19 PolarHBondContact N-OD2 2.86Å; S2-D19 PolarHBondContact OG-OD2 2.96Å; V15-D19 HydrophobicContact CG1-CB 3.92Å; T16-D19 WeakPolarHBondContact O-CA 3.36Å; T16-D19 PolarHBondContact O-N 2.67Å; T16-D19 PolarHBondContact OG1-OD1 3.13Å; T16-D19 VanDerWaalsContact OG1-OD1 3.04Å; T16-D19 PolarHBondContact OG1-OD2 2.97Å; K17-D19 VanDerWaalsContact C-N 3.32Å; K17-D19 PolarHBondContact O-N 2.93Å
20H79.4Confident79.7Confident152 Ų152110.6 Ų110.670%0.70459%0.594SS**Hα-helixtrans-88.9-25.2173.8-172.6-65.8000112.5V15 T16 K17 A22V15-H20 HydrophobicContact CG1-CB 3.87Å; T16-H20 PolarHBondContact O-N 2.91Å; T16-H20 VanDerWaalsContact O-N 3.07Å; K17-H20 PolarHBondContact O-N 3.49Å; H20-A22 VanDerWaalsContact C-N 3.29Å
21E83.9Confident78.2Confident122 Ų122111.7 Ų111.757%0.5760%0.6SS**Hα-helixtrans-74.3-20.8175-78173.8171.400112.6K17K17-E21 WeakPolarHBondContact CE-OE1 3.19Å; K17-E21 IonicContact NZ-OE1 3.81Å; K17-E21 PolarHBondContact NZ-OE1 3.17Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 3.4Å
22A81.9Confident76.9Confident55 Ų55106.8 Ų106.846%0.45559%0.586SS.*SBendtrans-78129170.100000110.8H20 S24H20-A22 VanDerWaalsContact C-N 3.29Å; A22-S24 PolarHBondContact O-N 2.97Å
23P77.8Confident75.6Confident125 Ų125109.6 Ų109.681%0.81261%0.609SS**PPolyproline II helixtrans-62.7134.8173.326-33.1000110.4N25P23-N25 PolarHBondContact O-N 3.43Å
24S74.4Confident74.4Confident111 Ų111111.2 Ų111.278%0.77662%0.618SS**PPolyproline II helixtrans-58128.5-178.3-64.70000111.8A22 A26A22-S24 PolarHBondContact O-N 2.97Å; S24-A26 PolarHBondContact O-N 3.34Å
25N73.8Confident73Confident158 Ų158110.1 Ų110.185%0.84562%0.617SS**  trans-77.523.6172.4-170-122.1000112.8P23 E27P23-N25 PolarHBondContact O-N 3.43Å; N25-E27 PolarHBondContact O-N 2.85Å
26A71.8Confident71.7Confident75 Ų75110.3 Ų110.362%0.6262%0.619SS**  trans-78.5101.7176.300000108.7S24 L28S24-A26 PolarHBondContact O-N 3.34Å; A26-L28 PolarHBondContact O-N 3.22Å
27E66.2Low70.1Confident170 Ų170116 Ų11679%0.79464%0.637SS**  trans-66114.5166.8-67.6-176.8145.500108.4N25 I29N25-E27 PolarHBondContact O-N 2.85Å; E27-I29 PolarHBondContact O-N 3.32Å
28L62.4Low68.7Low163 Ų163115.2 Ų115.285%0.85364%0.635SS**  trans-76102.6165.7-66.4176.8000106.9A26 A30A26-L28 PolarHBondContact O-N 3.22Å; L28-A30 PolarHBondContact O-N 2.98Å
29I64.4Low67.4Low126 Ų126114.8 Ų114.865%0.64664%0.637SS**  trans-68.9100.2168.7-55.296.5000106.6E27 D31 D32E27-I29 PolarHBondContact O-N 3.32Å; I29-D31 VanDerWaalsContact C-N 3.28Å; I29-D32 HydrophobicContact CG2-CB 4.2Å
30A61.2Low66.6Low76 Ų76118 Ų11863%0.62865%0.65SS**SBendtrans-84-4.6-179.200000113.4L28L28-A30 PolarHBondContact O-N 2.98Å
31D58.4Low66.2Low137 Ų137112.2 Ų112.273%0.73363%0.632SS**  trans-135.759.6-176.3-58.2-100.5000109.6I29 P33I29-D31 VanDerWaalsContact C-N 3.28Å; D31-P33 WeakPolarHBondContact O-CD 3.34Å
32D63.2Low66.1Low70 Ų70108.9 Ų108.937%0.37462%0.617SS.*  trans-88.7112.9167.5-169-59000109I29 N34 D35I29-D32 HydrophobicContact CG2-CB 4.2Å; D32-N34 PolarHBondContact O-N 3.5Å; D32-N34 WeakPolarHBondContact OD1-CA 3.44Å; D32-N34 WeakPolarHBondContact OD1-CB 3.49Å; D32-N34 PolarHBondContact OD1-N 2.03Å; D32-N34 PolarHBondContact OD1-ND2 3Å; D32-D35 HydrophobicContact CB-CB 4.31Å; D32-D35 WeakPolarHBondContact O-CB 3.23Å; D32-D35 PolarHBondContact O-N 3.46Å
33P64.1Low66.2Low121 Ų121109 Ų10979%0.78661%0.61SS**THydrogen-bonded Turntrans-70.69.4-176.230.6-36.9000114.4D31D31-P33 WeakPolarHBondContact O-CD 3.34Å
34N65.3Low66.5Low136 Ų136106.2 Ų106.273%0.72759%0.588SS**THydrogen-bonded Turntrans-122.58.6170.5-46.4-99.7000112.1D32 P36D32-N34 PolarHBondContact O-N 3.5Å; D32-N34 WeakPolarHBondContact OD1-CA 3.44Å; D32-N34 WeakPolarHBondContact OD1-CB 3.49Å; D32-N34 PolarHBondContact OD1-N 2.03Å; D32-N34 PolarHBondContact OD1-ND2 3Å; N34-P36 VanDerWaalsContact O-CD 3.31Å; N34-P36 WeakPolarHBondContact O-CD 3.34Å
35D61.6Low66.7Low65 Ų65106 Ų10635%0.34858%0.584SS.*  trans-66.6118176.9-173.9-91.6000110.4D32 Y37 E38D32-D35 HydrophobicContact CB-CB 4.31Å; D32-D35 WeakPolarHBondContact O-CB 3.23Å; D32-D35 PolarHBondContact O-N 3.46Å; D35-Y37 PolarHBondContact O-N 3.36Å; D35-Y37 VanDerWaalsContact OD1-CA 3.29Å; D35-Y37 WeakPolarHBondContact OD1-CA 3.41Å; D35-Y37 VanDerWaalsContact OD1-CB 3.23Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.44Å; D35-Y37 PolarHBondContact OD1-N 2.85Å; D35-E38 PolarHBondContact OD1-N 3.48Å
36P61.2Low67.1Low83 Ų83102.1 Ų102.154%0.53957%0.569SS.*THydrogen-bonded Turntrans-79.4-0.8-174.634.1-36.4000113.3N34N34-P36 VanDerWaalsContact O-CD 3.31Å; N34-P36 WeakPolarHBondContact O-CD 3.34Å
37Y55Low67.6Low164 Ų164100 Ų10064%0.64355%0.554SS**THydrogen-bonded Turntrans-99.7-21.9178.5-55.1-81.1000112.4D35 D39 Q40D35-Y37 PolarHBondContact O-N 3.36Å; D35-Y37 VanDerWaalsContact OD1-CA 3.29Å; D35-Y37 WeakPolarHBondContact OD1-CA 3.41Å; D35-Y37 VanDerWaalsContact OD1-CB 3.23Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.44Å; D35-Y37 PolarHBondContact OD1-N 2.85Å; Y37-D39 VanDerWaalsContact C-N 3.3Å; Y37-D39 PolarHBondContact O-N 2.95Å; Y37-Q40 WeakPolarHBondContact O-CA 3.42Å; Y37-Q40 WeakPolarHBondContact O-CB 3.48Å; Y37-Q40 PolarHBondContact O-N 2.74Å
38E57Low68.4Low124 Ų12497.3 Ų97.358%0.57954%0.541SS*.G310 helixtrans-59.3-41.2171.8-155.4172.2124.400111.3D35 Q40 G41D35-E38 PolarHBondContact OD1-N 3.48Å; E38-Q40 PolarHBondContact O-N 3.39Å; E38-G41 PolarHBondContact O-N 2.82Å
39D55Low69.7Low115 Ų11590 Ų9062%0.61550%0.503SS*.G310 helixtrans-66.4-12.2171.5-100.6-38.4000114.2Y37 G41 P45Y37-D39 VanDerWaalsContact C-N 3.3Å; Y37-D39 PolarHBondContact O-N 2.95Å; D39-G41 VanDerWaalsContact C-N 3.33Å; D39-P45 WeakPolarHBondContact OD1-CG 3.1Å
40Q61.2Low70.7Confident131 Ų13186 Ų8661%0.61248%0.483SS*.G310 helixtrans-97.519.8177.9-62-171.8-45.800112.8Y37 E38Y37-Q40 WeakPolarHBondContact O-CA 3.42Å; Y37-Q40 WeakPolarHBondContact O-CB 3.48Å; Y37-Q40 PolarHBondContact O-N 2.74Å; E38-Q40 PolarHBondContact O-N 3.39Å
41G70.6Confident71.9Confident30 Ų3085.8 Ų85.831%0.30947%0.466SS..SBendtrans-64.8-174.7176.200000115.4E38 D39 I43E38-G41 PolarHBondContact O-N 2.82Å; D39-G41 VanDerWaalsContact C-N 3.33Å; G41-I43 PolarHBondContact O-N 2.87Å
42L81.7Confident73.1Confident52 Ų5286.1 Ų86.127%0.27247%0.468SS..SBendtrans-67.4-25.7177.7179.651.9000113.1I49 N50 C53 L56 F72L42-I49 HydrophobicContact CD1-CG2 4.04Å; L42-N50 PolarHBondContact O-N 3.11Å; L42-C53 HydrophobicContact CD1-CB 4.41Å; L42-L56 HydrophobicContact CD1-CD1 3.42Å; L42-L56 VanDerWaalsContact CD1-CD1 3.42Å; L42-L56 HydrophobicContact CD1-CD2 4.09Å; L42-L56 HydrophobicContact CD1-CG 3.44Å; L42-L56 VanDerWaalsContact CD1-CG 3.44Å; L42-F72 HydrophobicContact CD2-CE1 3.7Å; L42-F72 HydrophobicContact CD2-CZ 3.49Å; L42-F72 VanDerWaalsContact CD2-CZ 3.49Å; L42-F72 HydrophobicContact CG-CE1 4.26Å
43I84.4Confident74.1Confident58 Ų5883.3 Ų83.330%0.29745%0.454SS..BIsolated β-bridgetrans-109.2126.2-179.3-52.3-54.6000107.6G41 I49 H76G41-I43 PolarHBondContact O-N 2.87Å; I43-I49 HydrophobicContact CD1-CB 4.48Å; I43-I49 HydrophobicContact CD1-CG1 3.69Å; I43-H76 WeakPolarHBondContact CD1-CE1 3.5Å
44L83.3Confident75Confident66 Ų6683.1 Ų83.135%0.34645%0.452SS..  trans-72.3158.7175.8-64.9171.3000110.5S46 G47 E48 N50L44-S46 WeakPolarHBondContact CB-OG 3.02Å; L44-S46 PolarHBondContact O-N 3.49Å; L44-G47 PolarHBondContact O-N 2.57Å; L44-E48 WeakPolarHBondContact CB-O 3.42Å; L44-E48 HydrophobicContact CD1-CB 4.29Å; L44-E48 PolarHBondContact N-O 2.94Å; L44-N50 HydrophobicContact CD2-CB 4.06Å; L44-N50 HydrophobicContact CG-CB 4.06Å
45P79.4Confident75.8Confident106 Ų10682.1 Ų82.169%0.68846%0.455SS*.THydrogen-bonded Turntrans-57.1-14.1170.4-26.835.9000114.7D39 G47D39-P45 WeakPolarHBondContact OD1-CG 3.1Å; P45-G47 VanDerWaalsContact C-N 3.33Å
46S82.2Confident76.7Confident76 Ų7679.7 Ų79.753%0.53144%0.442SS..THydrogen-bonded Turntrans-77.8-11171.457.40000114.5L44 E48L44-S46 WeakPolarHBondContact CB-OG 3.02Å; L44-S46 PolarHBondContact O-N 3.49Å; S46-E48 VanDerWaalsContact C-N 3.33Å; S46-E48 WeakPolarHBondContact OG-CB 3.02Å; S46-E48 PolarHBondContact OG-N 3.37Å; S46-E48 PolarHBondContact OG-OE2 3Å
47G81.4Confident77.6Confident30 Ų3078.9 Ų78.931%0.30945%0.448SS..SBendtrans78.714.7-168.600000113.8L44 P45 Y77L44-G47 PolarHBondContact O-N 2.57Å; P45-G47 VanDerWaalsContact C-N 3.33Å; G47-Y77 WeakPolarHBondContact O-CE1 3.19Å; G47-Y77 PolarHBondContact O-OH 2.97Å
48E84.8Confident78.9Confident114 Ų11473.2 Ų73.253%0.53344%0.44SS..  trans-99.6146.9175.6-64.1172.613100111.2L44 S46L44-E48 WeakPolarHBondContact CB-O 3.42Å; L44-E48 HydrophobicContact CD1-CB 4.29Å; L44-E48 PolarHBondContact N-O 2.94Å; S46-E48 VanDerWaalsContact C-N 3.33Å; S46-E48 WeakPolarHBondContact OG-CB 3.02Å; S46-E48 PolarHBondContact OG-N 3.37Å; S46-E48 PolarHBondContact OG-OE2 3Å
49I87.8Confident80.2Confident11 Ų1170.3 Ų70.36%0.05643%0.427CS..BIsolated β-bridgetrans-78.5124.6179.9-63.4150.2000110.4L42 I43 W51 F72 H76L42-I49 HydrophobicContact CD1-CG2 4.04Å; I43-I49 HydrophobicContact CD1-CB 4.48Å; I43-I49 HydrophobicContact CD1-CG1 3.69Å; I49-W51 HydrophobicContact CB-CD2 4.43Å; I49-W51 HydrophobicContact CB-CH2 4.18Å; I49-W51 HydrophobicContact CB-CZ2 3.87Å; I49-W51 HydrophobicContact CD1-CH2 3.87Å; I49-W51 HydrophobicContact CD1-CZ2 3.88Å; I49-W51 HydrophobicContact CG2-CD2 3.85Å; I49-W51 HydrophobicContact CG2-CE3 3.74Å; I49-W51 HydrophobicContact CG2-CH2 3.77Å; I49-W51 HydrophobicContact CG2-CZ2 3.86Å; I49-W51 HydrophobicContact CG2-CZ3 3.7Å; I49-W51 PolarHBondContact O-N 3.48Å; I49-F72 HydrophobicContact CD1-CD1 3.96Å; I49-F72 HydrophobicContact CD1-CE1 4.43Å; I49-F72 HydrophobicContact CG1-CD1 4.44Å; I49-F72 HydrophobicContact CG1-CE1 4.49Å; I49-F72 HydrophobicContact CG2-CD1 4.22Å; I49-F72 HydrophobicContact CG2-CE1 4.28Å; I49-H76 HydrophobicContact CD1-CB 4.01Å; I49-H76 HydrophobicContact CG1-CB 4.5Å
50N86.6Confident81.6Confident42 Ų4265 Ų6523%0.22540%0.399CS..  trans-78.585.9175.4-177.97.2000111.3L42 L44 N52 C53 L56L42-N50 PolarHBondContact O-N 3.11Å; L44-N50 HydrophobicContact CD2-CB 4.06Å; L44-N50 HydrophobicContact CG-CB 4.06Å; N50-N52 PolarHBondContact O-N 3.37Å; N50-N52 PolarHBondContact OD1-N 3.09Å; N50-C53 HydrophobicContact CB-CB 4.33Å; N50-C53 VanDerWaalsContact O-CB 3.3Å; N50-C53 WeakPolarHBondContact O-CB 3.46Å; N50-C53 PolarHBondContact O-N 2.95Å; N50-L56 WeakPolarHBondContact O-CD1 3.36Å
51W86.6Confident82.8Confident71 Ų7163.2 Ų63.227%0.26940%0.401SS..THydrogen-bonded Turntrans-60.8-11.1178.8-55.5111000115.6I49 L56 A60 F68 K69 F72I49-W51 HydrophobicContact CB-CD2 4.43Å; I49-W51 HydrophobicContact CB-CH2 4.18Å; I49-W51 HydrophobicContact CB-CZ2 3.87Å; I49-W51 HydrophobicContact CD1-CH2 3.87Å; I49-W51 HydrophobicContact CD1-CZ2 3.88Å; I49-W51 HydrophobicContact CG2-CD2 3.85Å; I49-W51 HydrophobicContact CG2-CE3 3.74Å; I49-W51 HydrophobicContact CG2-CH2 3.77Å; I49-W51 HydrophobicContact CG2-CZ2 3.86Å; I49-W51 HydrophobicContact CG2-CZ3 3.7Å; I49-W51 PolarHBondContact O-N 3.48Å; W51-L56 HydrophobicContact CE3-CD1 3.93Å; W51-A60 HydrophobicContact CB-CB 4.4Å; W51-A60 HydrophobicContact CD2-CB 4.31Å; W51-A60 HydrophobicContact CE3-CB 3.54Å; W51-A60 HydrophobicContact CZ3-CB 4.24Å; W51-F68 HydrophobicContact CZ3-CD1 4.15Å; W51-F68 AromaticContact CZ3-CE1 3.97Å; W51-F68 HydrophobicContact CZ3-CE1 3.97Å; W51-K69 HydrophobicContact CD2-CD 4.34Å; W51-K69 HydrophobicContact CD2-CG 3.85Å; W51-K69 HydrophobicContact CE3-CG 3.79Å; W51-K69 HydrophobicContact CH2-CB 3.93Å; W51-K69 HydrophobicContact CH2-CG 3.75Å; W51-K69 HydrophobicContact CZ2-CB 4Å; W51-K69 HydrophobicContact CZ2-CG 3.79Å; W51-K69 HydrophobicContact CZ3-CB 4.36Å; W51-K69 HydrophobicContact CZ3-CG 3.74Å; W51-F72 HydrophobicContact CH2-CB 4.15Å; W51-F72 HydrophobicContact CH2-CD1 4.16Å; W51-F72 HydrophobicContact CZ3-CB 4.29Å; W51-F72 HydrophobicContact CZ3-CD1 4.15Å
52N83.6Confident83.6Confident144 Ų14463.4 Ų63.477%0.7740%0.402SS*.THydrogen-bonded Turntrans-95.5-1.7176.5-62.1-48.5000113N50N50-N52 PolarHBondContact O-N 3.37Å; N50-N52 PolarHBondContact OD1-N 3.09Å
53C84.3Confident84Confident11 Ų1164.1 Ų64.17%0.07441%0.41CS..  trans-65124.8177.9-173.90000110L42 N50 C55 L56L42-C53 HydrophobicContact CD1-CB 4.41Å; N50-C53 HydrophobicContact CB-CB 4.33Å; N50-C53 VanDerWaalsContact O-CB 3.3Å; N50-C53 WeakPolarHBondContact O-CB 3.46Å; N50-C53 PolarHBondContact O-N 2.95Å; C53-C55 PolarHBondContact O-N 3.02Å; C53-C55 VanDerWaalsContact O-N 3.1Å; C53-L56 WeakPolarHBondContact O-CB 3.31Å; C53-L56 PolarHBondContact O-N 3.36Å; C53-L56 VanDerWaalsContact O-N 3.08Å
54P82.6Confident84.4Confident116 Ų11661.5 Ų61.575%0.75340%0.397SS*.G310 helixtrans-61.7-22.6-177.423.7-33.4000113.1L56 G57P54-L56 PolarHBondContact O-N 3.24Å; P54-G57 PolarHBondContact O-N 3.09Å
55C81.3Confident84.8Confident115 Ų11558.5 Ų58.578%0.77738%0.382SS*.G310 helixtrans-63.2-18.2175.8-53.80000113.9C53 G57C53-C55 PolarHBondContact O-N 3.02Å; C53-C55 VanDerWaalsContact O-N 3.1Å; C55-G57 PolarHBondContact O-N 2.85Å
56L80.8Confident85.4Confident15 Ų1557.7 Ų57.78%0.07938%0.375CS..G310 helixtrans-73.8-0.2175.8-96.5165.7000114.6L42 N50 W51 C53 P54 G58 M59 F68L42-L56 HydrophobicContact CD1-CD1 3.42Å; L42-L56 VanDerWaalsContact CD1-CD1 3.42Å; L42-L56 HydrophobicContact CD1-CD2 4.09Å; L42-L56 HydrophobicContact CD1-CG 3.44Å; L42-L56 VanDerWaalsContact CD1-CG 3.44Å; N50-L56 WeakPolarHBondContact O-CD1 3.36Å; W51-L56 HydrophobicContact CE3-CD1 3.93Å; C53-L56 WeakPolarHBondContact O-CB 3.31Å; C53-L56 PolarHBondContact O-N 3.36Å; C53-L56 VanDerWaalsContact O-N 3.08Å; P54-L56 PolarHBondContact O-N 3.24Å; L56-G58 PolarHBondContact O-N 2.95Å; L56-M59 PolarHBondContact O-N 2.84Å; L56-F68 HydrophobicContact CD2-CE1 3.53Å; L56-F68 HydrophobicContact CD2-CZ 3.64Å
57G80.1Confident85.9Confident65 Ų6556.7 Ų56.767%0.6736%0.362SS*.THydrogen-bonded Turntrans60.817.8-18000000114.3P54 C55 M59P54-G57 PolarHBondContact O-N 3.09Å; C55-G57 PolarHBondContact O-N 2.85Å; G57-M59 PolarHBondContact O-N 3.27Å; G57-M59 VanDerWaalsContact O-N 3.12Å
58G82.3Confident86.4Confident45 Ų4556.1 Ų56.146%0.46435%0.351SS..THydrogen-bonded Turntrans682.4-177.900000115.9L56 A60 S61L56-G58 PolarHBondContact O-N 2.95Å; G58-A60 PolarHBondContact O-N 3.13Å; G58-A60 VanDerWaalsContact O-N 3.13Å; G58-S61 CarbonylContact O-C 3.45Å; G58-S61 WeakPolarHBondContact O-CA 3.22Å; G58-S61 PolarHBondContact O-N 3.11Å
59M83.7Confident86.8Confident64 Ų6454.1 Ų54.132%0.31534%0.341SS..THydrogen-bonded Turntrans-58.5-32.4-174.8-61.2-177.774.600113.1L56 G57 S61 G65 F68 M98L56-M59 PolarHBondContact O-N 2.84Å; G57-M59 PolarHBondContact O-N 3.27Å; G57-M59 VanDerWaalsContact O-N 3.12Å; M59-S61 PolarHBondContact O-N 3.02Å; M59-G65 WeakPolarHBondContact O-CA 3.15Å; M59-F68 HydrophobicContact CB-CD1 4.26Å; M59-F68 HydrophobicContact CB-CD2 3.56Å; M59-F68 HydrophobicContact CB-CE1 4.27Å; M59-F68 HydrophobicContact CB-CE2 3.57Å; M59-F68 HydrophobicContact CB-CG 3.94Å; M59-F68 HydrophobicContact CB-CZ 3.95Å; M59-F68 HydrophobicContact CE-CD2 3.83Å; M59-F68 HydrophobicContact CE-CE2 3.81Å; M59-F68 HydrophobicContact CG-CD2 4.44Å; M59-F68 HydrophobicContact CG-CE2 4.17Å; M59-F68 HydrophobicContact SD-CD2 4.12Å; M59-F68 HydrophobicContact SD-CE2 3.56Å; M59-F68 VanDerWaalsContact SD-CE2 3.56Å; M59-F68 HydrophobicContact SD-CZ 4.32Å; M59-M98 HydrophobicContact CE-CE 3.61Å; M59-M98 HydrophobicContact CE-SD 4.16Å
60A85.8Confident86.9Confident3 Ų357.8 Ų57.83%0.02536%0.358CS..THydrogen-bonded Turntrans-66.6-13.7174.500000114.5W51 G58 F68 K69W51-A60 HydrophobicContact CB-CB 4.4Å; W51-A60 HydrophobicContact CD2-CB 4.31Å; W51-A60 HydrophobicContact CE3-CB 3.54Å; W51-A60 HydrophobicContact CZ3-CB 4.24Å; G58-A60 PolarHBondContact O-N 3.13Å; G58-A60 VanDerWaalsContact O-N 3.13Å; A60-F68 HydrophobicContact CB-CD1 3.98Å; A60-F68 HydrophobicContact CB-CE1 4.21Å; A60-K69 HydrophobicContact CB-CG 4.33Å; A60-K69 WeakPolarHBondContact O-CE 3.43Å; A60-K69 PolarHBondContact O-NZ 2.85Å
61S85.3Confident87.2Confident94 Ų9455.8 Ų55.866%0.65735%0.347SS*.SBendtrans-124.165.5-179.3-74.90000110.7G58 M59G58-S61 CarbonylContact O-C 3.45Å; G58-S61 WeakPolarHBondContact O-CA 3.22Å; G58-S61 PolarHBondContact O-N 3.11Å; M59-S61 PolarHBondContact O-N 3.02Å
62G88Confident87.3Confident33 Ų3354.5 Ų54.534%0.3434%0.344SS..SBendtrans-152-177.8174.900000111.8C64 G65G62-C64 PolarHBondContact O-N 3.32Å; G62-C64 VanDerWaalsContact O-N 3.15Å; G62-G65 PolarHBondContact O-N 2.93Å
63P90.2Very high87.7Confident67 Ų6749.3 Ų49.344%0.43532%0.318SS..THydrogen-bonded Turntrans-61.7-23.3-179.726.3-34.8000113.2Y101 L104 Y105P63-Y101 HydrophobicContact CB-CD2 4.27Å; P63-Y101 HydrophobicContact CB-CE1 4.32Å; P63-Y101 HydrophobicContact CB-CE2 3.86Å; P63-Y101 HydrophobicContact CG-CD1 4.41Å; P63-Y101 HydrophobicContact CG-CD2 4.04Å; P63-Y101 HydrophobicContact CG-CE2 4.15Å; P63-Y101 HydrophobicContact CG-CG 4.17Å; P63-L104 HydrophobicContact CG-CD1 4.03Å; P63-Y105 HydrophobicContact CG-CE2 4.1Å
64C93.1Very high88Confident3 Ų350.3 Ų50.32%0.0233%0.325CS..THydrogen-bonded Turntrans-101.97174.5-60.10000113.9G62 T66 Q67 F68 C97 M98 Y105G62-C64 PolarHBondContact O-N 3.32Å; G62-C64 VanDerWaalsContact O-N 3.15Å; C64-T66 VanDerWaalsContact C-N 3.25Å; C64-T66 PolarHBondContact O-N 3.22Å; C64-Q67 PolarHBondContact O-N 2.88Å; C64-Q67 VanDerWaalsContact O-N 3.13Å; C64-F68 PolarHBondContact O-N 3.46Å; C64-C97 WeakPolarHBondContact CA-SG 3.39Å; C64-C97 HydrophobicContact CB-CB 3.74Å; C64-C97 WeakPolarHBondContact CB-SG 3.39Å; C64-C97 WeakPolarHBondContact SG-CB 3.5Å; C64-C97 PolarHBondContact SG-O 2.98Å; C64-C97 VanDerWaalsContact SG-O 3.37Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.16Å; C64-M98 HydrophobicContact CB-CG 4.2Å; C64-M98 PolarHBondContact SG-N 3.39Å; C64-Y105 HydrophobicContact CB-CE2 4.14Å
65G90.9Very high88.3Confident3 Ų348.6 Ų48.63%0.03131%0.306CS..Hα-helixtrans-62.1-26.9-173.800000114.5M59 G62 K69M59-G65 WeakPolarHBondContact O-CA 3.15Å; G62-G65 PolarHBondContact O-N 2.93Å; G65-K69 WeakPolarHBondContact O-CB 3.36Å; G65-K69 WeakPolarHBondContact O-CD 3.33Å; G65-K69 WeakPolarHBondContact O-CG 3.48Å; G65-K69 PolarHBondContact O-N 2.99Å
66T92.8Very high88.6Confident89 Ų8945.9 Ų45.955%0.54628%0.282SS..Hα-helixtrans-65.8-48.4174-49.40000111.3C64 F68 K69 E70C64-T66 VanDerWaalsContact C-N 3.25Å; C64-T66 PolarHBondContact O-N 3.22Å; T66-F68 VanDerWaalsContact C-N 3.33Å; T66-F68 PolarHBondContact O-N 2.88Å; T66-K69 PolarHBondContact O-N 3Å; T66-E70 WeakPolarHBondContact O-CG 3.36Å; T66-E70 PolarHBondContact O-N 3.06Å
67Q92.4Very high88.9Confident55 Ų5551 Ų5126%0.25730%0.301SS..Hα-helixtrans-65.9-38.9178.9-58.9-58.9-7500111.1C64 E70 A71 M94 C97C64-Q67 PolarHBondContact O-N 2.88Å; C64-Q67 VanDerWaalsContact O-N 3.13Å; Q67-E70 PolarHBondContact NE2-OE2 2.98Å; Q67-E70 PolarHBondContact O-N 3.41Å; Q67-A71 WeakPolarHBondContact O-CB 3.43Å; Q67-A71 PolarHBondContact O-N 3.49Å; Q67-M94 HydrophobicContact CB-CB 3.95Å; Q67-M94 HydrophobicContact CB-CG 4.41Å; Q67-C97 HydrophobicContact CG-CB 4.47Å
68F92.4Very high89.3Confident18 Ų1848 Ų488%0.07927%0.27CS..Hα-helixtrans-59.6-45171.7-178-83.1000112W51 L56 M59 A60 C64 T66 A71 F72 M94W51-F68 HydrophobicContact CZ3-CD1 4.15Å; W51-F68 AromaticContact CZ3-CE1 3.97Å; W51-F68 HydrophobicContact CZ3-CE1 3.97Å; L56-F68 HydrophobicContact CD2-CE1 3.53Å; L56-F68 HydrophobicContact CD2-CZ 3.64Å; M59-F68 HydrophobicContact CB-CD1 4.26Å; M59-F68 HydrophobicContact CB-CD2 3.56Å; M59-F68 HydrophobicContact CB-CE1 4.27Å; M59-F68 HydrophobicContact CB-CE2 3.57Å; M59-F68 HydrophobicContact CB-CG 3.94Å; M59-F68 HydrophobicContact CB-CZ 3.95Å; M59-F68 HydrophobicContact CE-CD2 3.83Å; M59-F68 HydrophobicContact CE-CE2 3.81Å; M59-F68 HydrophobicContact CG-CD2 4.44Å; M59-F68 HydrophobicContact CG-CE2 4.17Å; M59-F68 HydrophobicContact SD-CD2 4.12Å; M59-F68 HydrophobicContact SD-CE2 3.56Å; M59-F68 VanDerWaalsContact SD-CE2 3.56Å; M59-F68 HydrophobicContact SD-CZ 4.32Å; A60-F68 HydrophobicContact CB-CD1 3.98Å; A60-F68 HydrophobicContact CB-CE1 4.21Å; C64-F68 PolarHBondContact O-N 3.46Å; T66-F68 VanDerWaalsContact C-N 3.33Å; T66-F68 PolarHBondContact O-N 2.88Å; F68-A71 PolarHBondContact O-N 2.91Å; F68-F72 HydrophobicContact CD1-CB 4.45Å; F68-F72 HydrophobicContact CE1-CB 4.09Å; F68-F72 HydrophobicContact CE1-CG 4.27Å; F68-F72 HydrophobicContact CZ-CB 4.42Å; F68-F72 HydrophobicContact CZ-CD2 4.2Å; F68-F72 HydrophobicContact CZ-CG 4.36Å; F68-F72 WeakPolarHBondContact O-CB 3.49Å; F68-F72 PolarHBondContact O-N 3.27Å; F68-M94 HydrophobicContact CB-CG 4.28Å; F68-M94 HydrophobicContact CB-SD 3.91Å; F68-M94 HydrophobicContact CD2-SD 3.49Å; F68-M94 WeakPolarHBondContact CD2-SD 3.38Å; F68-M94 HydrophobicContact CE2-SD 4.38Å; F68-M94 HydrophobicContact CG-SD 4.1Å
69K91.8Very high89.3Confident72 Ų7253.1 Ų53.131%0.31329%0.287SS..Hα-helixtrans-63.2-42.5178-78168.3175.9161.10112.4W51 A60 G65 T66 S73W51-K69 HydrophobicContact CD2-CD 4.34Å; W51-K69 HydrophobicContact CD2-CG 3.85Å; W51-K69 HydrophobicContact CE3-CG 3.79Å; W51-K69 HydrophobicContact CH2-CB 3.93Å; W51-K69 HydrophobicContact CH2-CG 3.75Å; W51-K69 HydrophobicContact CZ2-CB 4Å; W51-K69 HydrophobicContact CZ2-CG 3.79Å; W51-K69 HydrophobicContact CZ3-CB 4.36Å; W51-K69 HydrophobicContact CZ3-CG 3.74Å; A60-K69 HydrophobicContact CB-CG 4.33Å; A60-K69 WeakPolarHBondContact O-CE 3.43Å; A60-K69 PolarHBondContact O-NZ 2.85Å; G65-K69 WeakPolarHBondContact O-CB 3.36Å; G65-K69 WeakPolarHBondContact O-CD 3.33Å; G65-K69 WeakPolarHBondContact O-CG 3.48Å; G65-K69 PolarHBondContact O-N 2.99Å; T66-K69 PolarHBondContact O-N 3Å; K69-S73 VanDerWaalsContact O-CB 3.23Å; K69-S73 WeakPolarHBondContact O-CB 3.03Å; K69-S73 PolarHBondContact O-N 3.24Å; K69-S73 PolarHBondContact O-OG 3.17Å
70E91.8Very high89.3Confident89 Ų8954.8 Ų54.842%0.41629%0.294SS..Hα-helixtrans-65.5-47.9177.7-72.7167.7163.900111.1T66 Q67 S73 C74T66-E70 WeakPolarHBondContact O-CG 3.36Å; T66-E70 PolarHBondContact O-N 3.06Å; Q67-E70 PolarHBondContact NE2-OE2 2.98Å; Q67-E70 PolarHBondContact O-N 3.41Å; E70-S73 PolarHBondContact O-OG 3.13Å; E70-C74 WeakPolarHBondContact O-CB 3.49Å; E70-C74 PolarHBondContact O-N 3.32Å
71A91.4Very high88.7Confident0 Ų063.6 Ų63.60%033%0.334CS..Hα-helixtrans-62.4-46.617700000112.7Q67 F68 C74 F75 N90 F91Q67-A71 WeakPolarHBondContact O-CB 3.43Å; Q67-A71 PolarHBondContact O-N 3.49Å; F68-A71 PolarHBondContact O-N 2.91Å; A71-C74 PolarHBondContact O-N 3.02Å; A71-F75 WeakPolarHBondContact O-CB 3.3Å; A71-F75 PolarHBondContact O-N 3.36Å; A71-N90 HydrophobicContact CB-CB 3.79Å; A71-F91 HydrophobicContact CB-CD1 4.04Å; A71-F91 HydrophobicContact CB-CD2 4.1Å; A71-F91 HydrophobicContact CB-CE1 4.14Å; A71-F91 HydrophobicContact CB-CE2 4.19Å; A71-F91 HydrophobicContact CB-CG 4.02Å; A71-F91 HydrophobicContact CB-CZ 4.21Å
72F90.1Very high88.6Confident44 Ų4463.8 Ų63.819%0.19333%0.331CS..Hα-helixtrans-74.4-35-175.8-162.8-91.9000113L42 I49 W51 F68 F75 H76L42-F72 HydrophobicContact CD2-CE1 3.7Å; L42-F72 HydrophobicContact CD2-CZ 3.49Å; L42-F72 VanDerWaalsContact CD2-CZ 3.49Å; L42-F72 HydrophobicContact CG-CE1 4.26Å; I49-F72 HydrophobicContact CD1-CD1 3.96Å; I49-F72 HydrophobicContact CD1-CE1 4.43Å; I49-F72 HydrophobicContact CG1-CD1 4.44Å; I49-F72 HydrophobicContact CG1-CE1 4.49Å; I49-F72 HydrophobicContact CG2-CD1 4.22Å; I49-F72 HydrophobicContact CG2-CE1 4.28Å; W51-F72 HydrophobicContact CH2-CB 4.15Å; W51-F72 HydrophobicContact CH2-CD1 4.16Å; W51-F72 HydrophobicContact CZ3-CB 4.29Å; W51-F72 HydrophobicContact CZ3-CD1 4.15Å; F68-F72 HydrophobicContact CD1-CB 4.45Å; F68-F72 HydrophobicContact CE1-CB 4.09Å; F68-F72 HydrophobicContact CE1-CG 4.27Å; F68-F72 HydrophobicContact CZ-CB 4.42Å; F68-F72 HydrophobicContact CZ-CD2 4.2Å; F68-F72 HydrophobicContact CZ-CG 4.36Å; F68-F72 WeakPolarHBondContact O-CB 3.49Å; F68-F72 PolarHBondContact O-N 3.27Å; F72-F75 PolarHBondContact O-N 3.48Å; F72-H76 WeakPolarHBondContact O-CB 3.37Å; F72-H76 PolarHBondContact O-N 2.88Å
73S90.7Very high88.2Confident34 Ų3467.1 Ų67.124%0.23834%0.336CS..Hα-helixtrans-68.2-41.3171.158.50000112K69 E70 F75 H76 Y77K69-S73 VanDerWaalsContact O-CB 3.23Å; K69-S73 WeakPolarHBondContact O-CB 3.03Å; K69-S73 PolarHBondContact O-N 3.24Å; K69-S73 PolarHBondContact O-OG 3.17Å; E70-S73 PolarHBondContact O-OG 3.13Å; S73-F75 PolarHBondContact O-N 3.45Å; S73-H76 PolarHBondContact O-N 3.33Å; S73-Y77 WeakPolarHBondContact O-CD2 3.41Å; S73-Y77 PolarHBondContact O-N 3.5Å
74C91Very high87.7Confident33 Ų3364 Ų6422%0.22332%0.317CS..Hα-helixtrans-57.5-49.7171.9-172.90000110.9E70 A71 H76 Y77 S78 C87E70-C74 WeakPolarHBondContact O-CB 3.49Å; E70-C74 PolarHBondContact O-N 3.32Å; A71-C74 PolarHBondContact O-N 3.02Å; C74-H76 VanDerWaalsContact C-N 3.35Å; C74-H76 PolarHBondContact O-N 3.18Å; C74-Y77 PolarHBondContact O-N 3.18Å; C74-S78 VanDerWaalsContact O-CB 3.22Å; C74-S78 WeakPolarHBondContact O-CB 3.43Å; C74-S78 PolarHBondContact O-N 3.33Å; C74-C87 VanDerWaalsContact CA-SG 3.59Å; C74-C87 HydrophobicContact CB-CB 3.74Å; C74-C87 WeakPolarHBondContact CB-SG 3.49Å; C74-C87 PolarHBondContact O-SG 3.44Å; C74-C87 VanDerWaalsContact O-SG 3.36Å; C74-C87 VanDerWaalsContact SG-CA 3.59Å; C74-C87 WeakPolarHBondContact SG-CB 3.39Å; C74-C87 CovalentContact SG-SG 2.03Å; C74-C87 PolarHBondContact SG-SG 2.72Å
75F89.7Confident87.4Confident80 Ų8066.5 Ų66.535%0.35133%0.334SS..Hα-helixtrans-58-43177.3177.6-94.5000113.2A71 F72 S73 K83 F91A71-F75 WeakPolarHBondContact O-CB 3.3Å; A71-F75 PolarHBondContact O-N 3.36Å; F72-F75 PolarHBondContact O-N 3.48Å; S73-F75 PolarHBondContact O-N 3.45Å; F75-K83 HydrophobicContact CD2-CB 4.03Å; F75-K83 WeakPolarHBondContact CD2-O 3.43Å; F75-K83 HydrophobicContact CE2-CB 3.46Å; F75-K83 VanDerWaalsContact CE2-CB 3.46Å; F75-K83 VanDerWaalsContact CE2-O 3.22Å; F75-K83 WeakPolarHBondContact CE2-O 3.18Å; F75-K83 HydrophobicContact CZ-CB 3.74Å; F75-F91 HydrophobicContact CB-CE2 3.98Å; F75-F91 HydrophobicContact CB-CZ 3.94Å; F75-F91 HydrophobicContact CD2-CE2 4.37Å; F75-F91 HydrophobicContact CD2-CZ 4.34Å; F75-F91 HydrophobicContact CG-CZ 4.31Å
76H87.1Confident87.4Confident58 Ų5871.8 Ų71.827%0.26936%0.358SS..Hα-helixtrans-67.2-45-179.6-177.156.3000112.5I43 I49 F72 S73 C74I43-H76 WeakPolarHBondContact CD1-CE1 3.5Å; I49-H76 HydrophobicContact CD1-CB 4.01Å; I49-H76 HydrophobicContact CG1-CB 4.5Å; F72-H76 WeakPolarHBondContact O-CB 3.37Å; F72-H76 PolarHBondContact O-N 2.88Å; S73-H76 PolarHBondContact O-N 3.33Å; C74-H76 VanDerWaalsContact C-N 3.35Å; C74-H76 PolarHBondContact O-N 3.18Å
77Y87.6Confident87.4Confident121 Ų12167.6 Ų67.648%0.47533%0.332SS..Hα-helixtrans-84-11.2-179-61.4-52.5000114.3G47 S73 C74 N79G47-Y77 WeakPolarHBondContact O-CE1 3.19Å; G47-Y77 PolarHBondContact O-OH 2.97Å; S73-Y77 WeakPolarHBondContact O-CD2 3.41Å; S73-Y77 PolarHBondContact O-N 3.5Å; C74-Y77 PolarHBondContact O-N 3.18Å; Y77-N79 PolarHBondContact O-N 3.13Å; Y77-N79 PolarHBondContact O-ND2 2.93Å
78S87.6Confident87.3Confident3 Ų369.7 Ų69.72%0.02134%0.344CS..  trans-59.4133.6174.2177.20000111.2C74 E80 K83 G84 E86C74-S78 VanDerWaalsContact O-CB 3.22Å; C74-S78 WeakPolarHBondContact O-CB 3.43Å; C74-S78 PolarHBondContact O-N 3.33Å; S78-E80 PolarHBondContact OG-N 3.2Å; S78-K83 WeakPolarHBondContact O-CD 3.47Å; S78-K83 PolarHBondContact O-NZ 3.3Å; S78-G84 PolarHBondContact OG-N 3.26Å; S78-G84 VanDerWaalsContact OG-N 3.13Å; S78-E86 VanDerWaalsContact CA-OE1 3.31Å; S78-E86 WeakPolarHBondContact CA-OE1 3.4Å; S78-E86 WeakPolarHBondContact CB-OE1 3.47Å; S78-E86 PolarHBondContact OG-OE1 3.31Å
79N81.3Confident87.3Confident153 Ų15374.4 Ų74.482%0.81837%0.37SS*.  trans-106.48.9179.1-79.8-99.8000112.7Y77Y77-N79 PolarHBondContact O-N 3.13Å; Y77-N79 PolarHBondContact O-ND2 2.93Å
80E84.4Confident87.4Confident98 Ų9873.6 Ų73.646%0.45837%0.369SS..SBendtrans-69.9154.4179.1-76.9-66.716200113.4S78 V82 S85S78-E80 PolarHBondContact OG-N 3.2Å; E80-V82 VanDerWaalsContact C-N 3.27Å; E80-V82 PolarHBondContact O-N 3.12Å; E80-S85 VanDerWaalsContact CB-OG 3.31Å; E80-S85 WeakPolarHBondContact CB-OG 3.34Å; E80-S85 WeakPolarHBondContact CG-OG 3.35Å
81E74.1Confident87.3Confident189 Ų18971.9 Ų71.988%0.88336%0.361SS*.SBendtrans-61.6-36.4-178.463.2175.9-17400112.3
82V81.6Confident87.4Confident97 Ų9779 Ų7959%0.58839%0.387SS*.SBendtrans-102.2105.3164.1179.40000106.5E80 G84 S85E80-V82 VanDerWaalsContact C-N 3.27Å; E80-V82 PolarHBondContact O-N 3.12Å; V82-G84 PolarHBondContact O-N 3.01Å; V82-S85 WeakPolarHBondContact O-CB 3.43Å; V82-S85 PolarHBondContact O-N 3.1Å; V82-S85 PolarHBondContact O-OG 3.08Å
83K79.9Confident87.5Confident103 Ų10378.3 Ų78.345%0.44839%0.39SS..THydrogen-bonded Turntrans-48.8122.2-178.2-76.8-73.7-177.9173.30111.5F75 S78F75-K83 HydrophobicContact CD2-CB 4.03Å; F75-K83 WeakPolarHBondContact CD2-O 3.43Å; F75-K83 HydrophobicContact CE2-CB 3.46Å; F75-K83 VanDerWaalsContact CE2-CB 3.46Å; F75-K83 VanDerWaalsContact CE2-O 3.22Å; F75-K83 WeakPolarHBondContact CE2-O 3.18Å; F75-K83 HydrophobicContact CZ-CB 3.74Å; S78-K83 WeakPolarHBondContact O-CD 3.47Å; S78-K83 PolarHBondContact O-NZ 3.3Å
84G80.8Confident87.6Confident3 Ų377.5 Ų77.53%0.03138%0.383CS..THydrogen-bonded Turntrans73.420.2177.600000115.7S78 V82 E86 C87 I88S78-G84 PolarHBondContact OG-N 3.26Å; S78-G84 VanDerWaalsContact OG-N 3.13Å; V82-G84 PolarHBondContact O-N 3.01Å; G84-E86 PolarHBondContact O-N 3.27Å; G84-C87 WeakPolarHBondContact O-CA 3.38Å; G84-C87 WeakPolarHBondContact O-CB 3.47Å; G84-C87 PolarHBondContact O-N 3.22Å; G84-I88 PolarHBondContact O-N 3.38Å
85S86.7Confident87.6Confident55 Ų5580.9 Ų80.939%0.38540%0.395SS..G310 helixtrans-55.2-36.5167.560.10000112.3E80 V82 C87 I88E80-S85 VanDerWaalsContact CB-OG 3.31Å; E80-S85 WeakPolarHBondContact CB-OG 3.34Å; E80-S85 WeakPolarHBondContact CG-OG 3.35Å; V82-S85 WeakPolarHBondContact O-CB 3.43Å; V82-S85 PolarHBondContact O-N 3.1Å; V82-S85 PolarHBondContact O-OG 3.08Å; S85-C87 VanDerWaalsContact C-N 3.26Å; S85-C87 PolarHBondContact O-N 2.95Å; S85-I88 WeakPolarHBondContact O-CG1 3.31Å
86E90.5Very high87.8Confident114 Ų11481.3 Ų81.353%0.53340%0.398SS..G310 helixtrans-72.7-13.517268.3-168.2123.800114S78 G84S78-E86 VanDerWaalsContact CA-OE1 3.31Å; S78-E86 WeakPolarHBondContact CA-OE1 3.4Å; S78-E86 WeakPolarHBondContact CB-OE1 3.47Å; S78-E86 PolarHBondContact OG-OE1 3.31Å; G84-E86 PolarHBondContact O-N 3.27Å
87C92.9Very high88Confident0 Ų079.4 Ų79.40%039%0.391CS..G310 helixtrans-103.21.2-171.3-55.90000114.1C74 G84 S85 D89 N90 F91C74-C87 VanDerWaalsContact CA-SG 3.59Å; C74-C87 HydrophobicContact CB-CB 3.74Å; C74-C87 WeakPolarHBondContact CB-SG 3.49Å; C74-C87 PolarHBondContact O-SG 3.44Å; C74-C87 VanDerWaalsContact O-SG 3.36Å; C74-C87 VanDerWaalsContact SG-CA 3.59Å; C74-C87 WeakPolarHBondContact SG-CB 3.39Å; C74-C87 CovalentContact SG-SG 2.03Å; C74-C87 PolarHBondContact SG-SG 2.72Å; G84-C87 WeakPolarHBondContact O-CA 3.38Å; G84-C87 WeakPolarHBondContact O-CB 3.47Å; G84-C87 PolarHBondContact O-N 3.22Å; S85-C87 VanDerWaalsContact C-N 3.26Å; S85-C87 PolarHBondContact O-N 2.95Å; C87-D89 PolarHBondContact O-N 3.26Å; C87-N90 WeakPolarHBondContact O-CB 3.42Å; C87-N90 PolarHBondContact O-N 3.03Å; C87-F91 HydrophobicContact CB-CD2 4.31Å; C87-F91 HydrophobicContact CB-CE2 4.24Å; C87-F91 WeakPolarHBondContact O-CD2 3.45Å; C87-F91 PolarHBondContact O-N 2.88Å
88I90Very high88.2Confident100 Ų10075.1 Ų75.151%0.51338%0.376SS..Hα-helixtrans-54.4-37.4-174.1-65.9-69000112.3G84 S85 N90 F91 R92G84-I88 PolarHBondContact O-N 3.38Å; S85-I88 WeakPolarHBondContact O-CG1 3.31Å; I88-N90 VanDerWaalsContact C-N 3.34Å; I88-N90 PolarHBondContact O-N 2.91Å; I88-F91 PolarHBondContact O-N 3.23Å; I88-R92 WeakPolarHBondContact O-CB 3.39Å; I88-R92 PolarHBondContact O-N 2.83Å
89D93.3Very high88.3Confident117 Ų11780 Ų8063%0.62640%0.399SS*.Hα-helixtrans-65.1-34.8178.1-66.9-40.6000112.8C87 R92 A93C87-D89 PolarHBondContact O-N 3.26Å; D89-R92 WeakPolarHBondContact O-CB 3.39Å; D89-R92 PolarHBondContact O-N 2.83Å; D89-A93 WeakPolarHBondContact O-CB 3.36Å; D89-A93 PolarHBondContact O-N 3.21Å
90N92.5Very high88.9Confident54 Ų5479.6 Ų79.629%0.28939%0.39SS..Hα-helixtrans-69.2-41.1175-60-54.7000111.1A71 C87 I88 R92 A93 M94A71-N90 HydrophobicContact CB-CB 3.79Å; C87-N90 WeakPolarHBondContact O-CB 3.42Å; C87-N90 PolarHBondContact O-N 3.03Å; I88-N90 VanDerWaalsContact C-N 3.34Å; I88-N90 PolarHBondContact O-N 2.91Å; N90-R92 VanDerWaalsContact C-N 3.29Å; N90-R92 PolarHBondContact O-N 2.84Å; N90-A93 PolarHBondContact O-N 2.72Å; N90-M94 WeakPolarHBondContact O-CB 3.22Å; N90-M94 PolarHBondContact O-N 3.11Å
91F90.6Very high89.1Confident53 Ų5379.8 Ų79.823%0.23239%0.387CS..Hα-helixtrans-64-35172.9-79.3-79.6000112.4A71 F75 C87 I88 M94 Q95A71-F91 HydrophobicContact CB-CD1 4.04Å; A71-F91 HydrophobicContact CB-CD2 4.1Å; A71-F91 HydrophobicContact CB-CE1 4.14Å; A71-F91 HydrophobicContact CB-CE2 4.19Å; A71-F91 HydrophobicContact CB-CG 4.02Å; A71-F91 HydrophobicContact CB-CZ 4.21Å; F75-F91 HydrophobicContact CB-CE2 3.98Å; F75-F91 HydrophobicContact CB-CZ 3.94Å; F75-F91 HydrophobicContact CD2-CE2 4.37Å; F75-F91 HydrophobicContact CD2-CZ 4.34Å; F75-F91 HydrophobicContact CG-CZ 4.31Å; C87-F91 HydrophobicContact CB-CD2 4.31Å; C87-F91 HydrophobicContact CB-CE2 4.24Å; C87-F91 WeakPolarHBondContact O-CD2 3.45Å; C87-F91 PolarHBondContact O-N 2.88Å; I88-F91 PolarHBondContact O-N 3.23Å; F91-M94 HydrophobicContact CD1-CE 3.96Å; F91-Q95 WeakPolarHBondContact O-CG 3.46Å; F91-Q95 PolarHBondContact O-N 3.02Å
92R92.8Very high89.8Confident149 Ų14974.2 Ų74.256%0.56237%0.367SS*.Hα-helixtrans-64.9-49.8173.7-163.7-170.4-150.7102.911.8111.4I88 D89 N90 M94 Q95 E96I88-R92 WeakPolarHBondContact O-CB 3.39Å; I88-R92 PolarHBondContact O-N 2.83Å; D89-R92 WeakPolarHBondContact O-CB 3.39Å; D89-R92 PolarHBondContact O-N 2.83Å; N90-R92 VanDerWaalsContact C-N 3.29Å; N90-R92 PolarHBondContact O-N 2.84Å; R92-M94 PolarHBondContact O-N 3.2Å; R92-Q95 PolarHBondContact O-N 3.02Å; R92-Q95 VanDerWaalsContact O-N 3.11Å; R92-E96 IonicContact NE-OE1 2.61Å; R92-E96 WeakPolarHBondContact O-CB 3.31Å; R92-E96 WeakPolarHBondContact O-CG 3.23Å; R92-E96 PolarHBondContact O-N 3.12Å
93A93.3Very high90.1Very high30 Ų3078.3 Ų78.325%0.24838%0.38CS..Hα-helixtrans-61.2-34.4178.200000112.4D89 N90 C97D89-A93 WeakPolarHBondContact O-CB 3.36Å; D89-A93 PolarHBondContact O-N 3.21Å; N90-A93 PolarHBondContact O-N 2.72Å; A93-C97 WeakPolarHBondContact O-CB 3.41Å; A93-C97 PolarHBondContact O-N 3Å
94M91.6Very high90.4Very high17 Ų1778.8 Ų78.88%0.08439%0.386CS..Hα-helixtrans-63.4-49.6170.4-175.9-168.377.800112.2Q67 F68 N90 F91 R92 C97 M98Q67-M94 HydrophobicContact CB-CB 3.95Å; Q67-M94 HydrophobicContact CB-CG 4.41Å; F68-M94 HydrophobicContact CB-CG 4.28Å; F68-M94 HydrophobicContact CB-SD 3.91Å; F68-M94 HydrophobicContact CD2-SD 3.49Å; F68-M94 WeakPolarHBondContact CD2-SD 3.38Å; F68-M94 HydrophobicContact CE2-SD 4.38Å; F68-M94 HydrophobicContact CG-SD 4.1Å; N90-M94 WeakPolarHBondContact O-CB 3.22Å; N90-M94 PolarHBondContact O-N 3.11Å; F91-M94 HydrophobicContact CD1-CE 3.96Å; R92-M94 PolarHBondContact O-N 3.2Å; M94-C97 WeakPolarHBondContact O-CA 3.29Å; M94-C97 WeakPolarHBondContact O-CB 3.43Å; M94-C97 PolarHBondContact O-N 3.24Å; M94-C97 VanDerWaalsContact O-N 3.09Å; M94-M98 HydrophobicContact CE-SD 4.3Å; M94-M98 HydrophobicContact CG-SD 4.09Å; M94-M98 WeakPolarHBondContact O-CG 3.32Å; M94-M98 PolarHBondContact O-N 2.96Å
95Q91.4Very high90.7Very high105 Ų10580.3 Ų80.349%0.49139%0.392SS..Hα-helixtrans-62.6-43.8177.3-72.6172.140.400112.2F91 R92 C97 M98 Q99F91-Q95 WeakPolarHBondContact O-CG 3.46Å; F91-Q95 PolarHBondContact O-N 3.02Å; R92-Q95 PolarHBondContact O-N 3.02Å; R92-Q95 VanDerWaalsContact O-N 3.11Å; Q95-C97 PolarHBondContact O-N 3.22Å; Q95-M98 PolarHBondContact O-N 3.21Å; Q95-M98 VanDerWaalsContact O-N 3.09Å; Q95-Q99 WeakPolarHBondContact O-CG 3.41Å; Q95-Q99 PolarHBondContact O-N 3.01Å
96E93.3Very high90.6Very high88 Ų8882.6 Ų82.641%0.41141%0.405SS..Hα-helixtrans-63.1-22.3173.6-72.5179.4-161.400113.1R92 K100R92-E96 IonicContact NE-OE1 2.61Å; R92-E96 WeakPolarHBondContact O-CB 3.31Å; R92-E96 WeakPolarHBondContact O-CG 3.23Å; R92-E96 PolarHBondContact O-N 3.12Å; E96-K100 WeakPolarHBondContact O-CD 3.24Å; E96-K100 WeakPolarHBondContact O-CE 3.1Å; E96-K100 WeakPolarHBondContact O-CG 3.43Å; E96-K100 PolarHBondContact O-NZ 2.84Å
97C92.8Very high89.9Confident18 Ų1881.7 Ų81.712%0.12240%0.401CS..Hα-helixtrans-77.6-48.2169.1-175.80000110.9C64 Q67 A93 M94 Q95 Q99 K100 Y101C64-C97 WeakPolarHBondContact CA-SG 3.39Å; C64-C97 HydrophobicContact CB-CB 3.74Å; C64-C97 WeakPolarHBondContact CB-SG 3.39Å; C64-C97 WeakPolarHBondContact SG-CB 3.5Å; C64-C97 PolarHBondContact SG-O 2.98Å; C64-C97 VanDerWaalsContact SG-O 3.37Å; C64-C97 CovalentContact SG-SG 2.04Å; C64-C97 PolarHBondContact SG-SG 3.16Å; Q67-C97 HydrophobicContact CG-CB 4.47Å; A93-C97 WeakPolarHBondContact O-CB 3.41Å; A93-C97 PolarHBondContact O-N 3Å; M94-C97 WeakPolarHBondContact O-CA 3.29Å; M94-C97 WeakPolarHBondContact O-CB 3.43Å; M94-C97 PolarHBondContact O-N 3.24Å; M94-C97 VanDerWaalsContact O-N 3.09Å; Q95-C97 PolarHBondContact O-N 3.22Å; C97-Q99 VanDerWaalsContact C-N 3.31Å; C97-Q99 PolarHBondContact O-N 3.09Å; C97-K100 WeakPolarHBondContact O-CB 3.17Å; C97-K100 PolarHBondContact O-N 3.12Å; C97-Y101 WeakPolarHBondContact O-CD2 3.15Å
98M90.4Very high88.4Confident32 Ų3289.8 Ų89.816%0.15844%0.439CS..Hα-helixtrans-61.5-38.5-177.3-66.9170.278.600112M59 C64 M94 Q95 K100 Y101 Y105M59-M98 HydrophobicContact CE-CE 3.61Å; M59-M98 HydrophobicContact CE-SD 4.16Å; C64-M98 HydrophobicContact CB-CG 4.2Å; C64-M98 PolarHBondContact SG-N 3.39Å; M94-M98 HydrophobicContact CE-SD 4.3Å; M94-M98 HydrophobicContact CG-SD 4.09Å; M94-M98 WeakPolarHBondContact O-CG 3.32Å; M94-M98 PolarHBondContact O-N 2.96Å; Q95-M98 PolarHBondContact O-N 3.21Å; Q95-M98 VanDerWaalsContact O-N 3.09Å; M98-K100 PolarHBondContact O-N 2.61Å; M98-K100 VanDerWaalsContact O-N 3.11Å; M98-Y101 CarbonylContact O-C 3.56Å; M98-Y101 PolarHBondContact O-N 2.81Å; M98-Y105 HydrophobicContact CB-CD2 3.95Å; M98-Y105 HydrophobicContact CB-CG 4.06Å; M98-Y105 HydrophobicContact CE-CD1 3.52Å; M98-Y105 HydrophobicContact CE-CE1 4.1Å; M98-Y105 HydrophobicContact CE-CG 3.79Å; M98-Y105 HydrophobicContact CG-CD1 4.38Å; M98-Y105 HydrophobicContact CG-CD2 3.86Å; M98-Y105 HydrophobicContact CG-CE2 4.15Å; M98-Y105 HydrophobicContact CG-CG 3.97Å
99Q91.1Very high86.4Confident106 Ų10691.1 Ų91.150%0.49545%0.447SS..THydrogen-bonded Turntrans-58-21.5173.2-74169.49.500114.4Q95 C97 Y101Q95-Q99 WeakPolarHBondContact O-CG 3.41Å; Q95-Q99 PolarHBondContact O-N 3.01Å; C97-Q99 VanDerWaalsContact C-N 3.31Å; C97-Q99 PolarHBondContact O-N 3.09Å; Q99-Y101 VanDerWaalsContact C-N 3.32Å
100K92.1Very high84.7Confident144 Ų14495.6 Ų95.663%0.62646%0.464SS*.THydrogen-bonded Turntrans-82.3-10.6176.2-63.9162.4-174137.10112.8E96 C97 M98 P102E96-K100 WeakPolarHBondContact O-CD 3.24Å; E96-K100 WeakPolarHBondContact O-CE 3.1Å; E96-K100 WeakPolarHBondContact O-CG 3.43Å; E96-K100 PolarHBondContact O-NZ 2.84Å; C97-K100 WeakPolarHBondContact O-CB 3.17Å; C97-K100 PolarHBondContact O-N 3.12Å; M98-K100 PolarHBondContact O-N 2.61Å; M98-K100 VanDerWaalsContact O-N 3.11Å; K100-P102 VanDerWaalsContact C-CD 3.48Å
101Y90.4Very high82.6Confident101 Ų10199.2 Ų99.240%0.39648%0.484SS..  trans-131.358.3-177.9-55.7-79000111.9P63 C97 M98 Q99 E103 L104 Y105P63-Y101 HydrophobicContact CB-CD2 4.27Å; P63-Y101 HydrophobicContact CB-CE1 4.32Å; P63-Y101 HydrophobicContact CB-CE2 3.86Å; P63-Y101 HydrophobicContact CG-CD1 4.41Å; P63-Y101 HydrophobicContact CG-CD2 4.04Å; P63-Y101 HydrophobicContact CG-CE2 4.15Å; P63-Y101 HydrophobicContact CG-CG 4.17Å; C97-Y101 WeakPolarHBondContact O-CD2 3.15Å; M98-Y101 CarbonylContact O-C 3.56Å; M98-Y101 PolarHBondContact O-N 2.81Å; Q99-Y101 VanDerWaalsContact C-N 3.32Å; Y101-E103 PolarHBondContact O-N 3.03Å; Y101-L104 PolarHBondContact O-N 3.43Å; Y101-Y105 PolarHBondContact O-N 2.86Å
102P88.6Confident80.6Confident73 Ų73104.7 Ų104.747%0.47451%0.51SS..THydrogen-bonded Turntrans-60.5-28.4-17626-35.6000113.6K100 L104 Y105 P106K100-P102 VanDerWaalsContact C-CD 3.48Å; P102-L104 PolarHBondContact O-N 3.35Å; P102-Y105 CarbonylContact O-C 3.6Å; P102-P106 WeakPolarHBondContact O-CA 3.41Å
103E87.2Confident78.2Confident183 Ų183101.4 Ų101.486%0.85552%0.522SS*.THydrogen-bonded Turntrans-66.2-21.6175.1-59.6-73.8128.900113.7Y101Y101-E103 PolarHBondContact O-N 3.03Å
104L85.9Confident76.1Confident112 Ų112104.9 Ų104.959%0.58655%0.551SS**THydrogen-bonded Turntrans-109.1-28.1-179.5-63.5177.9000112.4P63 Y101 P102P63-L104 HydrophobicContact CG-CD1 4.03Å; Y101-L104 PolarHBondContact O-N 3.43Å; P102-L104 PolarHBondContact O-N 3.35Å
105Y87.3Confident73.8Confident35 Ų35111.9 Ų111.914%0.13759%0.589CS.*SBendtrans-126.580175.7-55.4-67.3000107.5P63 C64 M98 Y101 P102 Q107P63-Y105 HydrophobicContact CG-CE2 4.1Å; C64-Y105 HydrophobicContact CB-CE2 4.14Å; M98-Y105 HydrophobicContact CB-CD2 3.95Å; M98-Y105 HydrophobicContact CB-CG 4.06Å; M98-Y105 HydrophobicContact CE-CD1 3.52Å; M98-Y105 HydrophobicContact CE-CE1 4.1Å; M98-Y105 HydrophobicContact CE-CG 3.79Å; M98-Y105 HydrophobicContact CG-CD1 4.38Å; M98-Y105 HydrophobicContact CG-CD2 3.86Å; M98-Y105 HydrophobicContact CG-CE2 4.15Å; M98-Y105 HydrophobicContact CG-CG 3.97Å; Y101-Y105 PolarHBondContact O-N 2.86Å; P102-Y105 CarbonylContact O-C 3.6Å; Y105-Q107 PolarHBondContact O-N 3.04Å; Y105-Q107 VanDerWaalsContact O-N 3.13Å
106P84.1Confident71.5Confident104 Ų104111.1 Ų111.168%0.67560%0.601SS**  trans-54.4125173.922.6-32.3000108.2P102 E108P102-P106 WeakPolarHBondContact O-CA 3.41Å; P106-E108 PolarHBondContact O-N 2.93Å
107Q75.7Confident69.3Low95 Ų95112.2 Ų112.244%0.44462%0.624SS.*  trans-65.9126.5165.8-57-86.7-94.700105.2Y105 D109Y105-Q107 PolarHBondContact O-N 3.04Å; Y105-Q107 VanDerWaalsContact O-N 3.13Å; Q107-D109 PolarHBondContact O-N 3.2Å
108E61.6Low67Low170 Ų170114.9 Ų114.979%0.79465%0.648SS**  trans-72.278.9167.7-65.4-178.4121.400107.3P106 E110P106-E108 PolarHBondContact O-N 2.93Å; E108-E110 PolarHBondContact O-N 2.66Å
109D48.8Very low64.6Low127 Ų127118.8 Ų118.868%0.67968%0.676SS**  trans-56.6121.4173.8-74.6-58.2000108.3Q107 N111Q107-D109 PolarHBondContact O-N 3.2Å; D109-N111 PolarHBondContact O-N 3.07Å
110E57.2Low62.1Low212 Ų212119.3 Ų119.399%0.99169%0.688SS**THydrogen-bonded Turntrans-6519-170.2-65.3173.266.600115.2E108E108-E110 PolarHBondContact O-N 2.66Å
111N48.8Very low59.6Low130 Ų130120.7 Ų120.770%0.69570%0.702SS**THydrogen-bonded Turntrans-112.7-27.6-168.3-173.566.1000115.5D109D109-N111 PolarHBondContact O-N 3.07Å
112E47.6Very low56.9Low167 Ų167122 Ų12278%0.7872%0.72SS**SBendtrans-128.6122.9-170.3-85.6147.1100.300112.6
113G43.6Very low54.1Low80 Ų80124.8 Ų124.883%0.82573%0.731SS**  trans-93.5154.2-160.800000117
114A49.1Very low51.9Low103 Ų103121.5 Ų121.585%0.85173%0.728SS**  trans81.5127158.400000119.9
115D42.6Very low49.4Very low165 Ų165121.3 Ų121.388%0.88273%0.732SS**  trans76.780.2152.1-145.6-102.8000119.4
116A44.3Very low47.2Very low89 Ų89123.4 Ų123.474%0.73676%0.756SS**SBendtrans-163.488.414500000113.9
117A47.1Very low45Very low110 Ų110124.5 Ų124.591%0.90976%0.763SS**  trans51.966.4150.400000120.2
118A43Very low43.3Very low74 Ų74126.1 Ų126.161%0.61278%0.779SS**  trans-110.2137.5145.900000109.4
119P40.8Very low42.6Very low115 Ų115124.1 Ų124.175%0.74778%0.781SS**PPolyproline II helixtrans-67.3138.4169.229.5-32.7000109L121P119-L121 PolarHBondContact O-N 2.77Å; P119-L121 VanDerWaalsContact O-N 3.11Å
120P37.8Very low42Very low116 Ų116124.7 Ų124.775%0.75379%0.789SS**PPolyproline II helixtrans-66.4117.1-179.227.3-33.3000109.7V122P120-V122 PolarHBondContact O-N 2.92Å
121L40Very low41Very low174 Ų174123.9 Ų123.991%0.91179%0.785SS**PPolyproline II helixtrans-60.5119.1159.8-70172.1000106.9P119 D123P119-L121 PolarHBondContact O-N 2.77Å; P119-L121 VanDerWaalsContact O-N 3.11Å; L121-D123 PolarHBondContact O-N 3.02Å
122V33.6Very low40.1Very low128 Ų128124.3 Ų124.378%0.77679%0.788SS**  trans-67.2106.5-173.9-74.70000110.9P120 S124P120-V122 PolarHBondContact O-N 2.92Å; V122-S124 PolarHBondContact O-N 3.45Å
123D31.2Very low39.8Very low132 Ų132121.9 Ų121.971%0.70679%0.789SS**  trans-60.1101.3170175.7-127000109.9L121 T125L121-D123 PolarHBondContact O-N 3.02Å; D123-T125 PolarHBondContact O-N 3.04Å; D123-T125 WeakPolarHBondContact OD1-CB 3.49Å
124S40.7Very low40Very low114 Ų114123 Ų12380%0.79779%0.785SS**  trans-79.364.8169.5-71.30000110.4V122 A126V122-S124 PolarHBondContact O-N 3.45Å; S124-A126 PolarHBondContact O-N 3.37Å; S124-A126 VanDerWaalsContact O-N 3.12Å
125T33.4Very low39.8Very low108 Ų108123.8 Ų123.866%0.66378%0.78SS**  trans-73.8102.7169.7-155.20000109.8D123D123-T125 PolarHBondContact O-N 3.04Å; D123-T125 WeakPolarHBondContact OD1-CB 3.49Å
126A40.2Very low39.4Very low78 Ų78120.4 Ų120.465%0.64578%0.775SS**  trans-81.2123.9167.200000108.6S124 V128S124-A126 PolarHBondContact O-N 3.37Å; S124-A126 VanDerWaalsContact O-N 3.12Å; A126-V128 PolarHBondContact O-N 3.16Å; A126-V128 VanDerWaalsContact O-N 3.12Å
127P39.1Very low39.1Very low127 Ų127121.5 Ų121.583%0.82578%0.778SS**  trans-73.5108.3-178.128.4-33.7000111.1
128V39.8Very low38.8Very low129 Ų129123.1 Ų123.178%0.78278%0.776SS**  trans-83.9128.5163.8-75.30000109.9A126A126-V128 PolarHBondContact O-N 3.16Å; A126-V128 VanDerWaalsContact O-N 3.12Å
129P45.8Very low39.6Very low129 Ų129125.2 Ų125.284%0.83878%0.784SS**  trans-77.8145.7-175.230.7-34.8000112.7
130T36.8Very low39.2Very low138 Ų138125 Ų12585%0.84778%0.784SS**  trans-97.9114.9-179.250.90000113.2
131E36.1Very low39.2Very low196 Ų196125 Ų12592%0.91679%0.787SS**  trans-151.5146.2153.3-71.3-165.6105.800105.9
132D29Very low39Very low139 Ų139123.9 Ų123.974%0.74378%0.782SS**  cis-145.6160-6.4164.5-114.6000106.9
133S41.3Very low39.1Very low115 Ų115122.5 Ų122.580%0.80478%0.778SS**  trans-151.3116.6172.3-82.50000114.2
134S48.7Very low39.5Very low105 Ų105122.4 Ų122.473%0.73478%0.783SS**  trans-148.3152.5161.6-111.70000108
135P45.5Very low39.9Very low118 Ų118122.7 Ų122.777%0.76678%0.782SS**  -144.115650.238.9-19.9000118.8
136A32.8Very low40.2Very low94 Ų94122.6 Ų122.678%0.77779%0.786SS**  trans47.7125.8133.700000122.7
137S38.3Very low41.3Very low112 Ų112124.5 Ų124.578%0.78379%0.792SS**  trans-69.2154.9165.8-29.50000114.4
138V40.5Very low42Very low145 Ų145124.1 Ų124.188%0.87979%0.789SS**  -170.2155.4114.3-90.90000112.6
139P61.1Low42Very low118 Ų118124 Ų12477%0.76679%0.789SS**  trans-120.7165.1-170.942.2-31000116.8
140S31.3Very low42.2Very low109 Ų109123.5 Ų123.576%0.76279%0.786SS**  trans-176.2132.5153.5-84.50000110
141S37.9Very low42.1Very low117 Ų117125.6 Ų125.682%0.81879%0.786SS**  69.8131.167.7-57.10000112.4
142N36.8Very low42.2Very low150 Ų150122.1 Ų122.180%0.80278%0.783SS**  cis-166.9172.311.8-165.312.9000112.8
143S34.4Very low42.8Very low99 Ų99120 Ų12069%0.69279%0.785SS**  trans89.5116.9147.7-57.70000125.2
144T40.3Very low43.4Very low130 Ų130119.9 Ų119.980%0.79878%0.781SS**  trans-64172157.3-23.50000112.3
145P48.9Very low42.8Very low121 Ų121120 Ų12079%0.78678%0.782SS**  cis-149.1-176.430.943.2-19.2000121
146S39.8Very low42.6Very low105 Ų105119.7 Ų119.773%0.73478%0.783SS**  trans-85.8-162.8177.9-29.10000113.8
147P63.2Low43Very low119 Ų119122.4 Ų122.477%0.77378%0.784SS**  cis-125.4-144.2-10.739-16.6000110.8
148P54Low43.1Very low118 Ų118125.7 Ų125.777%0.76678%0.784SS**  cis-134.4-150.1-1143.9-22.9000115.4
149T39.5Very low43.6Very low127 Ų127125 Ų12578%0.77978%0.78SS**  trans-114.3167.3-179.648.60000112.8
150P50.4Low43.6Very low119 Ų119124.3 Ų124.377%0.77378%0.776SS**  -146.114287.337.7-18.5000115.4
151E34.7Very low44.9Very low182 Ų182124.5 Ų124.585%0.8578%0.775SS**  82.5114.6100.3-166.3-178.6113.200117.4
152S36.8Very low45.3Very low122 Ų122124.8 Ų124.885%0.85377%0.772SS**  trans-177135.9135.7-810000111.9
153A43.3Very low46Very low95 Ų95123.4 Ų123.479%0.78577%0.765SS**  trans-126.2-173.4169.300000107.8
154P52.8Low46.9Very low113 Ų113123.8 Ų123.873%0.73477%0.767SS**  cis-141.2-172.50.243.8-25000116.3
155S37.2Very low47.6Very low106 Ų106126 Ų12674%0.74177%0.768SS**  trans69.6115.3146.6-64.30000122.8
156S41.4Very low48Very low113 Ų113124.9 Ų124.979%0.7977%0.769SS**  166.7112108.2-67.90000108.6
157D40.9Very low48.4Very low150 Ų150124.4 Ų124.480%0.80277%0.772SS**  63116.591.5-162.5-88.8000114.7
158K39.8Very low47.9Very low181 Ų181128.3 Ų128.379%0.78780%0.802SS**  160.8119121.1-171.6143.8174.1-780113.3
159T50.4Low47.6Very low130 Ų130128.8 Ų128.880%0.79880%0.804SS**  trans-105.8-176.4169.11.30000110.6
160P62.4Low48Very low105 Ų105128.9 Ų128.968%0.68281%0.805SS**  trans-93.3-175.8-140.942.5-40.4000114.9
161P58.2Low47.9Very low113 Ų113129.4 Ų129.473%0.73481%0.807SS**  -136.8162.4103.337.7-24.5000111.7
162T46.4Very low48.7Very low123 Ų123126.4 Ų126.476%0.75580%0.804SS**  cis69.2101.447.3-48.70000115
163D51.9Low49.4Very low121 Ų121126.6 Ų126.665%0.64780%0.801SS**  trans-156.1121.7163.4-161.8-115.2000104.8Q165D163-Q165 VanDerWaalsContact OD1-CG 3.24Å; D163-Q165 WeakPolarHBondContact OD1-CG 3.36Å; D163-Q165 PolarHBondContact OD1-NE2 2.61Å
164S53.3Low49.8Very low106 Ų106128.7 Ų128.774%0.74180%0.802SS**  cis71.566.127.4-65.20000115.9
165Q53.9Low49.6Very low177 Ų177129.9 Ų129.983%0.82781%0.807SS**  trans-112.2147.5160.8-63.8-164.62.100112.4D163D163-Q165 VanDerWaalsContact OD1-CG 3.24Å; D163-Q165 WeakPolarHBondContact OD1-CG 3.36Å; D163-Q165 PolarHBondContact OD1-NE2 2.61Å
166A57.1Low50.6Low97 Ų97131.7 Ų131.780%0.80281%0.812SS**  trans-129.6173.5-171.300000111.4
167A48.5Very low51.4Low95 Ų95133.3 Ų133.379%0.78581%0.814SS**  trans72.3109.3160.600000118.9
168S53.4Low52.3Low201 Ų201131.7 Ų131.7100%1.40682%0.815SS**  -143.80116.8-70.50000108.8

Retrieved 168 of 168 residues in 152.7 ms (Link to these results)