A0A077Z518_TRITR Loading...

Acyl coenzyme A dehydrogenase, C 4 to

AlphaFold DB , UniProt , Accession A0A077Z518, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 424 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
1M35.1Very low42.2Very low242 Ų242151.5 Ų151.5100%1.19271%0.711SS**  000-83.4179.3-17700114.8
2L35.3Very low43.3Very low156 Ų156142.6 Ų142.682%0.81767%0.671SS**THydrogen-bonded Turntrans-96.3-0.1-168.2-101.1125.4000117.4
3W36.7Very low44.2Very low255 Ų255144.6 Ų144.697%0.96668%0.676SS**THydrogen-bonded Turntrans-106.111.8-176.2-125.660.3000114.9
4R36Very low45.6Very low222 Ų222146.1 Ų146.184%0.83868%0.683SS**  trans-99.733.5171.4-75.3-168.6177.8-161.30.5112.6L6R4-L6 PolarHBondContact O-N 2.97Å
5R41.7Very low47.6Very low182 Ų182147.1 Ų147.169%0.68769%0.688SS**  trans-71.481.9155.5-78.3-173.8178.8177.71.6106.2V7R5-V7 PolarHBondContact O-N 2.9Å
6L39.7Very low49.8Very low122 Ų122140.6 Ų140.664%0.63966%0.659SS**  trans-56.194.8173.1-77.9152.7000106.4R4 S8 T9R4-L6 PolarHBondContact O-N 2.97Å; L6-S8 PolarHBondContact O-N 3.11Å; L6-T9 HydrophobicContact CD2-CG2 3.66Å
7V48Very low52Low96 Ų96135.9 Ų135.958%0.58265%0.645SS**  trans-38118.7140.1-170.50000104.3R5 T9 F11R5-V7 PolarHBondContact O-N 2.9Å; V7-T9 PolarHBondContact O-N 3.43Å; V7-F11 HydrophobicContact CB-CE2 4.3Å; V7-F11 HydrophobicContact CG1-CD2 4.46Å; V7-F11 HydrophobicContact CG1-CE2 3.27Å; V7-F11 HydrophobicContact CG1-CZ 3.38Å
8S45.7Very low54.2Low59 Ų59135.7 Ų135.741%0.41365%0.649SS.*  trans-44.7114.3-177.964.60000106.9L6 Q10L6-S8 PolarHBondContact O-N 3.11Å; S8-Q10 PolarHBondContact O-N 3.33Å
9T46.1Very low56.2Low117 Ų117134 Ų13472%0.71864%0.64SS**SBendtrans-63.3-3.1-17638.90000111.9L6 V7 F11L6-T9 HydrophobicContact CD2-CG2 3.66Å; V7-T9 PolarHBondContact O-N 3.43Å; T9-F11 PolarHBondContact O-N 3.01Å
10Q50.1Low57.8Low89 Ų89127.4 Ų127.442%0.41661%0.609SS.*  trans-87.474.4173.2-62.9175.10.400110.1S8 K328 W331 R337S8-Q10 PolarHBondContact O-N 3.33Å; Q10-K328 PolarHBondContact O-NZ 3.32Å; Q10-W331 HydrophobicContact CB-CH2 4.09Å; Q10-W331 HydrophobicContact CB-CZ3 4.18Å; Q10-R337 VanDerWaalsContact OE1-CZ 3.26Å
11F50.1Low59.5Low126 Ų126125 Ų12555%0.55360%0.596SS**  trans-84.4140.1167-87.7-88000110.5V7 T9 F13V7-F11 HydrophobicContact CB-CE2 4.3Å; V7-F11 HydrophobicContact CG1-CD2 4.46Å; V7-F11 HydrophobicContact CG1-CE2 3.27Å; V7-F11 HydrophobicContact CG1-CZ 3.38Å; T9-F11 PolarHBondContact O-N 3.01Å; F11-F13 HydrophobicContact CB-CD2 3.92Å; F11-F13 HydrophobicContact CB-CE2 4.22Å; F11-F13 HydrophobicContact CD1-CD2 4.23Å; F11-F13 AromaticContact CD1-CE2 3.67Å; F11-F13 HydrophobicContact CD1-CE2 3.67Å; F11-F13 HydrophobicContact CD1-CZ 4.5Å; F11-F13 HydrophobicContact CE1-CE2 4.35Å; F11-F13 HydrophobicContact CG-CD2 4.36Å; F11-F13 HydrophobicContact CG-CE2 4.18Å; F11-F13 PolarHBondContact O-N 3.14Å
12I54.8Low62.4Low45 Ų45117.9 Ų117.923%0.23156%0.563CS.*  trans-82103.1161.2-63.5172.1000106.4K328 W331I12-K328 VanDerWaalsContact CD1-CA 3.49Å; I12-K328 HydrophobicContact CD1-CB 4.25Å; I12-K328 HydrophobicContact CD1-CD 3.89Å; I12-K328 HydrophobicContact CG1-CD 4.23Å; I12-W331 HydrophobicContact CD1-CB 3.24Å; I12-W331 HydrophobicContact CD1-CD2 3.67Å; I12-W331 HydrophobicContact CD1-CE3 3.84Å; I12-W331 HydrophobicContact CD1-CG 3.43Å; I12-W331 VanDerWaalsContact CD1-CG 3.43Å; I12-W331 HydrophobicContact CG1-CB 4.15Å; I12-W331 HydrophobicContact CG1-CD2 3.57Å; I12-W331 HydrophobicContact CG1-CE3 3.69Å; I12-W331 HydrophobicContact CG1-CG 3.78Å; I12-W331 HydrophobicContact CG1-CZ3 4.29Å
13F55Low65.1Low169 Ų169112.1 Ų112.174%0.74153%0.53SS*.  trans-136.744.7154.9-70.2-68.4000108.6F11F11-F13 HydrophobicContact CB-CD2 3.92Å; F11-F13 HydrophobicContact CB-CE2 4.22Å; F11-F13 HydrophobicContact CD1-CD2 4.23Å; F11-F13 AromaticContact CD1-CE2 3.67Å; F11-F13 HydrophobicContact CD1-CE2 3.67Å; F11-F13 HydrophobicContact CD1-CZ 4.5Å; F11-F13 HydrophobicContact CE1-CE2 4.35Å; F11-F13 HydrophobicContact CG-CD2 4.36Å; F11-F13 HydrophobicContact CG-CE2 4.18Å; F11-F13 PolarHBondContact O-N 3.14Å
14Q64Low67.8Low165 Ų165102.9 Ų102.977%0.77150%0.498SS*.PPolyproline II helixtrans-88136.5160.9-70.9-174.5-14.500107.2
15E76.2Confident70.7Confident162 Ų16295.9 Ų95.976%0.75748%0.483SS*.PPolyproline II helixtrans-53.7146.7164.4-71.6-166.5-171.100109.4S17 K21E15-S17 PolarHBondContact O-N 2.92Å; E15-K21 IonicContact OE2-NZ 3.58Å; E15-K21 PolarHBondContact OE2-NZ 2.8Å
16L82.8Confident73.4Confident42 Ų4289.4 Ų89.422%0.2246%0.463CS..PPolyproline II helixtrans-53.3138.5169.2-66.3-177.7000109.3A20 K21 L78 I82L16-A20 HydrophobicContact CB-CB 4.19Å; L16-K21 HydrophobicContact CB-CG 3.78Å; L16-K21 WeakPolarHBondContact O-CE 3.47Å; L16-K21 PolarHBondContact O-NZ 3.25Å; L16-L78 HydrophobicContact CD2-CD2 4.47Å; L16-I82 HydrophobicContact CD1-CD1 3.95Å; L16-I82 HydrophobicContact CD2-CD1 3.56Å; L16-I82 HydrophobicContact CG-CD1 4.38Å
17S87.1Confident76.1Confident62 Ų6283.6 Ų83.643%0.43443%0.433SS..PPolyproline II helixtrans-56.1154.7170.9630000109.9E15 E19 A20 K21E15-S17 PolarHBondContact O-N 2.92Å; S17-E19 PolarHBondContact O-N 3.16Å; S17-A20 PolarHBondContact O-N 3.12Å; S17-A20 VanDerWaalsContact O-N 3.12Å; S17-A20 VanDerWaalsContact OG-CB 3.26Å; S17-A20 WeakPolarHBondContact OG-CB 3.44Å; S17-A20 PolarHBondContact OG-N 3.07Å; S17-K21 WeakPolarHBondContact O-CG 3.32Å; S17-K21 PolarHBondContact O-N 3.05Å
18D91.3Very high78.5Confident132 Ų13280.5 Ų80.571%0.70641%0.413SS*.Hα-helixtrans-59-32.4176.6-66.7-27.8000111.5N22D18-N22 WeakPolarHBondContact O-CB 3.49Å; D18-N22 PolarHBondContact O-N 2.82Å
19E91.1Very high81Confident103 Ų10383.4 Ų83.448%0.48142%0.418SS..Hα-helixtrans-65.9-47.9173.8-168.7174-179.100112.2S17 K21 N22 Y23S17-E19 PolarHBondContact O-N 3.16Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.15Å; E19-N22 WeakPolarHBondContact O-CB 3.23Å; E19-N22 PolarHBondContact O-N 3.21Å; E19-N22 VanDerWaalsContact O-N 3.09Å; E19-Y23 HydrophobicContact CG-CD2 3.97Å; E19-Y23 HydrophobicContact CG-CE2 3.44Å; E19-Y23 VanDerWaalsContact CG-CE2 3.44Å; E19-Y23 VanDerWaalsContact O-CD2 3.28Å; E19-Y23 WeakPolarHBondContact O-CD2 3.48Å; E19-Y23 PolarHBondContact O-N 3.08Å; E19-Y23 WeakPolarHBondContact OE1-CE2 3.46Å; E19-Y23 PolarHBondContact OE1-OH 3.14Å
20A90Very high83.5Confident2 Ų278.4 Ų78.42%0.01739%0.387CS..Hα-helixtrans-62.3-39175.600000112.2L16 S17 N22 Y23 Q24 E79 I82L16-A20 HydrophobicContact CB-CB 4.19Å; S17-A20 PolarHBondContact O-N 3.12Å; S17-A20 VanDerWaalsContact O-N 3.12Å; S17-A20 VanDerWaalsContact OG-CB 3.26Å; S17-A20 WeakPolarHBondContact OG-CB 3.44Å; S17-A20 PolarHBondContact OG-N 3.07Å; A20-N22 VanDerWaalsContact C-N 3.33Å; A20-Y23 PolarHBondContact O-N 3.26Å; A20-Q24 WeakPolarHBondContact O-CB 3.26Å; A20-Q24 PolarHBondContact O-N 2.95Å; A20-E79 HydrophobicContact CB-CG 3.92Å; A20-I82 HydrophobicContact CB-CD1 3.95Å
21K92.3Very high85.8Confident76 Ų7674.1 Ų74.133%0.3337%0.367SS..Hα-helixtrans-62.3-39.9172.5-70.9171.5178.8162.20111.2E15 L16 S17 E19 Q24 S25E15-K21 IonicContact OE2-NZ 3.58Å; E15-K21 PolarHBondContact OE2-NZ 2.8Å; L16-K21 HydrophobicContact CB-CG 3.78Å; L16-K21 WeakPolarHBondContact O-CE 3.47Å; L16-K21 PolarHBondContact O-NZ 3.25Å; S17-K21 WeakPolarHBondContact O-CG 3.32Å; S17-K21 PolarHBondContact O-N 3.05Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.15Å; K21-Q24 WeakPolarHBondContact O-CB 3.39Å; K21-Q24 PolarHBondContact O-N 3.33Å; K21-S25 WeakPolarHBondContact O-CB 3.45Å; K21-S25 PolarHBondContact O-N 2.94Å
22N95.2Very high88.1Confident94 Ų9473 Ų7350%0.50336%0.362SS..Hα-helixtrans-65.3-48.5176.3-177.159.1000111.8D18 E19 A20 Q24 S25 V26D18-N22 WeakPolarHBondContact O-CB 3.49Å; D18-N22 PolarHBondContact O-N 2.82Å; E19-N22 WeakPolarHBondContact O-CB 3.23Å; E19-N22 PolarHBondContact O-N 3.21Å; E19-N22 VanDerWaalsContact O-N 3.09Å; A20-N22 VanDerWaalsContact C-N 3.33Å; N22-Q24 VanDerWaalsContact C-N 3.3Å; N22-Q24 PolarHBondContact O-N 2.84Å; N22-S25 WeakPolarHBondContact O-CB 3.32Å; N22-S25 PolarHBondContact O-N 3.15Å; N22-S25 VanDerWaalsContact O-N 3.14Å; N22-V26 WeakPolarHBondContact O-CG2 3.27Å; N22-V26 PolarHBondContact O-N 2.92Å
23Y93.2Very high90.1Very high35 Ų3576.6 Ų76.614%0.13738%0.377CS..Hα-helixtrans-58.3-42.7174.9-72.6-56.2000112E19 A20 S25 V26 A27 L75 E79E19-Y23 HydrophobicContact CG-CD2 3.97Å; E19-Y23 HydrophobicContact CG-CE2 3.44Å; E19-Y23 VanDerWaalsContact CG-CE2 3.44Å; E19-Y23 VanDerWaalsContact O-CD2 3.28Å; E19-Y23 WeakPolarHBondContact O-CD2 3.48Å; E19-Y23 PolarHBondContact O-N 3.08Å; E19-Y23 WeakPolarHBondContact OE1-CE2 3.46Å; E19-Y23 PolarHBondContact OE1-OH 3.14Å; A20-Y23 PolarHBondContact O-N 3.26Å; Y23-S25 PolarHBondContact O-N 3.29Å; Y23-V26 PolarHBondContact O-N 2.83Å; Y23-A27 WeakPolarHBondContact O-CB 3.41Å; Y23-A27 PolarHBondContact O-N 3.17Å; Y23-L75 HydrophobicContact CD1-CD2 4.18Å; Y23-L75 HydrophobicContact CD2-CD2 3.95Å; Y23-L75 HydrophobicContact CD2-CG 4.32Å; Y23-L75 HydrophobicContact CE1-CD1 4.23Å; Y23-L75 HydrophobicContact CE1-CD2 4.16Å; Y23-L75 HydrophobicContact CE2-CD1 3.99Å; Y23-L75 HydrophobicContact CE2-CD2 3.9Å; Y23-L75 HydrophobicContact CE2-CG 3.83Å; Y23-L75 HydrophobicContact CG-CD2 4.12Å; Y23-E79 HydrophobicContact CD2-CB 4.44Å; Y23-E79 HydrophobicContact CD2-CG 4.36Å
24Q94.3Very high92.2Very high60 Ų6070.9 Ų70.928%0.2835%0.353SS..Hα-helixtrans-57.4-48.6174.3-168.7-178.648.500111.8A20 K21 N22 A27 L28 I82A20-Q24 WeakPolarHBondContact O-CB 3.26Å; A20-Q24 PolarHBondContact O-N 2.95Å; K21-Q24 WeakPolarHBondContact O-CB 3.39Å; K21-Q24 PolarHBondContact O-N 3.33Å; N22-Q24 VanDerWaalsContact C-N 3.3Å; N22-Q24 PolarHBondContact O-N 2.84Å; Q24-A27 PolarHBondContact O-N 3.32Å; Q24-L28 WeakPolarHBondContact O-CB 3.44Å; Q24-L28 PolarHBondContact O-N 2.88Å; Q24-I82 HydrophobicContact CB-CG2 3.46Å; Q24-I82 VanDerWaalsContact CB-CG2 3.46Å; Q24-I82 HydrophobicContact CG-CG2 3.77Å
25S96.7Very high93.8Very high75 Ų7563 Ų6352%0.52432%0.316SS..Hα-helixtrans-61.9-47.9-178.4-176.50000111.7K21 N22 Y23 L28 K29K21-S25 WeakPolarHBondContact O-CB 3.45Å; K21-S25 PolarHBondContact O-N 2.94Å; N22-S25 WeakPolarHBondContact O-CB 3.32Å; N22-S25 PolarHBondContact O-N 3.15Å; N22-S25 VanDerWaalsContact O-N 3.14Å; Y23-S25 PolarHBondContact O-N 3.29Å; S25-L28 PolarHBondContact O-N 2.88Å; S25-K29 VanDerWaalsContact O-CB 3.26Å; S25-K29 WeakPolarHBondContact O-CB 3.29Å; S25-K29 PolarHBondContact O-N 3.02Å
26V97.6Very high94.8Very high46 Ų4657.3 Ų57.328%0.27929%0.29SS..Hα-helixtrans-62.9-47.9178.1174.60000110.9N22 Y23 L28 K29 F30 L61N22-V26 WeakPolarHBondContact O-CG2 3.27Å; N22-V26 PolarHBondContact O-N 2.92Å; Y23-V26 PolarHBondContact O-N 2.83Å; V26-L28 PolarHBondContact O-N 2.89Å; V26-K29 PolarHBondContact O-N 3.34Å; V26-F30 WeakPolarHBondContact O-CB 3.34Å; V26-F30 PolarHBondContact O-N 2.91Å; V26-L61 HydrophobicContact CG1-CD1 4.42Å; V26-L61 HydrophobicContact CG1-CD2 4.3Å
27A97.1Very high95.4Very high0 Ų059.4 Ų59.40%031%0.307CS..Hα-helixtrans-63.2-42.3179.700000112Y23 Q24 F30 A31 L61 V83 A86Y23-A27 WeakPolarHBondContact O-CB 3.41Å; Y23-A27 PolarHBondContact O-N 3.17Å; Q24-A27 PolarHBondContact O-N 3.32Å; A27-F30 PolarHBondContact O-N 3.23Å; A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 2.78Å; A27-L61 HydrophobicContact CB-CD1 4.46Å; A27-L61 HydrophobicContact CB-CD2 3.94Å; A27-V83 HydrophobicContact CB-CG1 4.3Å; A27-A86 HydrophobicContact CB-CB 3.66Å
28L97.6Very high95.9Very high32 Ų3259.7 Ų59.717%0.16830%0.3CS..Hα-helixtrans-70.3-38.2179.5-173.962.2000111.9Q24 S25 V26 A31 K32 A86 Y89 W282Q24-L28 WeakPolarHBondContact O-CB 3.44Å; Q24-L28 PolarHBondContact O-N 2.88Å; S25-L28 PolarHBondContact O-N 2.88Å; V26-L28 PolarHBondContact O-N 2.89Å; L28-A31 PolarHBondContact O-N 3.32Å; L28-K32 HydrophobicContact CG-CD 4.3Å; L28-K32 WeakPolarHBondContact O-CB 3.22Å; L28-K32 WeakPolarHBondContact O-CG 3.36Å; L28-K32 PolarHBondContact O-N 3.26Å; L28-A86 HydrophobicContact CB-CB 4.22Å; L28-Y89 HydrophobicContact CD1-CD1 3.87Å; L28-Y89 HydrophobicContact CD1-CE1 4.24Å; L28-Y89 HydrophobicContact CD1-CG 4.4Å; L28-W282 HydrophobicContact CD1-CH2 3.66Å; L28-W282 HydrophobicContact CD1-CZ3 4Å; L28-W282 HydrophobicContact CD2-CH2 3.89Å; L28-W282 HydrophobicContact CG-CH2 4.43Å
29K98.3Very high96.1Very high120 Ų12053.8 Ų53.852%0.52227%0.27SS..Hα-helixtrans-61.1-49.8173.1-176.3-179.7177.5-177.60110.5S25 V26 A31 K32 E33S25-K29 VanDerWaalsContact O-CB 3.26Å; S25-K29 WeakPolarHBondContact O-CB 3.29Å; S25-K29 PolarHBondContact O-N 3.02Å; V26-K29 PolarHBondContact O-N 3.34Å; K29-A31 VanDerWaalsContact C-N 3.32Å; K29-A31 PolarHBondContact O-N 3.08Å; K29-K32 PolarHBondContact O-N 3.02Å; K29-E33 VanDerWaalsContact CE-CD 3.42Å; K29-E33 WeakPolarHBondContact CE-OE1 3.39Å; K29-E33 WeakPolarHBondContact CE-OE2 3.38Å; K29-E33 HydrophobicContact CG-CG 4.32Å; K29-E33 WeakPolarHBondContact CG-OE1 3.46Å; K29-E33 WeakPolarHBondContact O-CB 3.44Å; K29-E33 PolarHBondContact O-N 2.97Å
30F98.4Very high96.3Very high11 Ų1152.2 Ų52.25%0.04827%0.268CS..Hα-helixtrans-59-42.8175.9-179-107.6000111.9V26 A27 K32 E34 I35 L52 K55 A56 L59 L61 L87 I98V26-F30 WeakPolarHBondContact O-CB 3.34Å; V26-F30 PolarHBondContact O-N 2.91Å; A27-F30 PolarHBondContact O-N 3.23Å; F30-K32 PolarHBondContact O-N 2.95Å; F30-E34 HydrophobicContact CD2-CB 3.76Å; F30-E34 HydrophobicContact CD2-CG 3.79Å; F30-E34 HydrophobicContact CE2-CB 3.6Å; F30-E34 HydrophobicContact CE2-CG 3.79Å; F30-E34 HydrophobicContact CG-CB 4.48Å; F30-E34 HydrophobicContact CZ-CB 4.21Å; F30-E34 WeakPolarHBondContact O-CB 3.5Å; F30-E34 PolarHBondContact O-N 3.4Å; F30-I35 HydrophobicContact CD1-CD1 3.84Å; F30-I35 HydrophobicContact CD1-CG1 4Å; F30-I35 HydrophobicContact CE1-CD1 3.74Å; F30-I35 HydrophobicContact CE1-CG1 3.76Å; F30-I35 HydrophobicContact CZ-CG1 4.43Å; F30-I35 PolarHBondContact O-N 3.08Å; F30-L52 HydrophobicContact CZ-CB 4.46Å; F30-L52 HydrophobicContact CZ-CD2 4.13Å; F30-K55 HydrophobicContact CE2-CB 3.73Å; F30-K55 HydrophobicContact CE2-CD 4.35Å; F30-K55 HydrophobicContact CZ-CB 4.05Å; F30-A56 HydrophobicContact CE1-CB 3.84Å; F30-A56 HydrophobicContact CZ-CB 4.03Å; F30-L59 HydrophobicContact CB-CD1 4.2Å; F30-L59 HydrophobicContact CD2-CD1 3.51Å; F30-L59 HydrophobicContact CE2-CD1 4.09Å; F30-L59 HydrophobicContact CG-CD1 3.96Å; F30-L61 HydrophobicContact CB-CD1 3.93Å; F30-L61 HydrophobicContact CD1-CD1 3.9Å; F30-L61 HydrophobicContact CG-CD1 4Å; F30-L87 HydrophobicContact CD1-CD2 3.72Å; F30-L87 HydrophobicContact CE1-CD2 4.31Å; F30-I98 HydrophobicContact CE1-CD1 4.29Å
31A98.2Very high96.6Very high0 Ų056.6 Ų56.60%029%0.288CS..Iπ-helixtrans-58.5-48.4175.800000111.7A27 L28 K29 I35 I36 A86A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 2.78Å; L28-A31 PolarHBondContact O-N 3.32Å; K29-A31 VanDerWaalsContact C-N 3.32Å; K29-A31 PolarHBondContact O-N 3.08Å; A31-I35 HydrophobicContact CB-CD1 4.44Å; A31-I35 WeakPolarHBondContact O-CB 3.45Å; A31-I35 PolarHBondContact O-N 3.32Å; A31-I36 WeakPolarHBondContact O-CG1 3.48Å; A31-I36 PolarHBondContact O-N 3.49Å; A31-A86 WeakPolarHBondContact CB-O 3.41Å
32K97.9Very high96.8Very high103 Ų10353.7 Ų53.745%0.44828%0.275SS..Iπ-helixtrans-69.6-42.8-177.9-72.9177.7177.8-179.40113.8L28 K29 F30 I36 P37 Y89L28-K32 HydrophobicContact CG-CD 4.3Å; L28-K32 WeakPolarHBondContact O-CB 3.22Å; L28-K32 WeakPolarHBondContact O-CG 3.36Å; L28-K32 PolarHBondContact O-N 3.26Å; K29-K32 PolarHBondContact O-N 3.02Å; F30-K32 PolarHBondContact O-N 2.95Å; K32-I36 HydrophobicContact CG-CD1 4.32Å; K32-P37 WeakPolarHBondContact O-CD 3.45Å; K32-Y89 HydrophobicContact CG-CE1 4.16Å
33E98.2Very high96.8Very high120 Ų12049.7 Ų49.756%0.56125%0.254SS*.Iπ-helixtrans-89.1-31.1-171.2-66.1178.9-17700113.1K29K29-E33 VanDerWaalsContact CE-CD 3.42Å; K29-E33 WeakPolarHBondContact CE-OE1 3.39Å; K29-E33 WeakPolarHBondContact CE-OE2 3.38Å; K29-E33 HydrophobicContact CG-CG 4.32Å; K29-E33 WeakPolarHBondContact CG-OE1 3.46Å; K29-E33 WeakPolarHBondContact O-CB 3.44Å; K29-E33 PolarHBondContact O-N 2.97Å
34E98Very high96.8Very high49 Ų4955 Ų5523%0.22928%0.28CS..Iπ-helixtrans-114.4-42.8-173-67.6-77.7179.800112.7F30 K38 L52 K55F30-E34 HydrophobicContact CD2-CB 3.76Å; F30-E34 HydrophobicContact CD2-CG 3.79Å; F30-E34 HydrophobicContact CE2-CB 3.6Å; F30-E34 HydrophobicContact CE2-CG 3.79Å; F30-E34 HydrophobicContact CG-CB 4.48Å; F30-E34 HydrophobicContact CZ-CB 4.21Å; F30-E34 WeakPolarHBondContact O-CB 3.5Å; F30-E34 PolarHBondContact O-N 3.4Å; E34-K38 WeakPolarHBondContact O-CD 3.42Å; E34-K38 IonicContact OE2-NZ 2.74Å; E34-K38 PolarHBondContact OE2-NZ 3.46Å; E34-L52 HydrophobicContact CB-CD2 3.84Å; E34-K55 IonicContact OE1-NZ 3.7Å; E34-K55 PolarHBondContact OE1-NZ 3.07Å; E34-K55 IonicContact OE2-NZ 2.86Å; E34-K55 PolarHBondContact OE2-NZ 3.43Å
35I97.8Very high96.9Very high0 Ų055.7 Ų55.70%029%0.288CS..Iπ-helixtrans-77.9-55.4-175.9-59-176000111.2F30 A31 K38 A39 L87 C91 I94 I98F30-I35 HydrophobicContact CD1-CD1 3.84Å; F30-I35 HydrophobicContact CD1-CG1 4Å; F30-I35 HydrophobicContact CE1-CD1 3.74Å; F30-I35 HydrophobicContact CE1-CG1 3.76Å; F30-I35 HydrophobicContact CZ-CG1 4.43Å; F30-I35 PolarHBondContact O-N 3.08Å; A31-I35 HydrophobicContact CB-CD1 4.44Å; A31-I35 WeakPolarHBondContact O-CB 3.45Å; A31-I35 PolarHBondContact O-N 3.32Å; I35-K38 PolarHBondContact O-N 2.78Å; I35-K38 VanDerWaalsContact O-N 3.16Å; I35-A39 WeakPolarHBondContact O-CB 3.28Å; I35-A39 PolarHBondContact O-N 3.27Å; I35-L87 HydrophobicContact CD1-CD2 3.82Å; I35-C91 HydrophobicContact CG2-CB 3.47Å; I35-C91 VanDerWaalsContact CG2-CB 3.47Å; I35-I94 HydrophobicContact CD1-CG2 4.15Å; I35-I94 HydrophobicContact CG1-CG2 4.26Å; I35-I94 HydrophobicContact CG2-CB 4.15Å; I35-I94 HydrophobicContact CG2-CD1 3.71Å; I35-I94 HydrophobicContact CG2-CG2 4.2Å; I35-I98 HydrophobicContact CD1-CD1 4.44Å
36I97Very high96.8Very high41 Ų4152.6 Ų52.621%0.2127%0.269CS..Hα-helixtrans-55.2-48.7-174.4-68.8179.3000112.3A31 K32 K38 A39 P40 Y89A31-I36 WeakPolarHBondContact O-CG1 3.48Å; A31-I36 PolarHBondContact O-N 3.49Å; K32-I36 HydrophobicContact CG-CD1 4.32Å; I36-K38 PolarHBondContact O-N 3.24Å; I36-A39 PolarHBondContact O-N 3.17Å; I36-P40 WeakPolarHBondContact O-CD 3.06Å; I36-Y89 HydrophobicContact CD1-CD1 4.32Å; I36-Y89 HydrophobicContact CD1-CE1 3.85Å
37P96.7Very high96.8Very high87 Ų8755.5 Ų55.557%0.56528%0.279SS*.Hα-helixtrans-65.5-25.9-177.1-2437.1000113.7K32K32-P37 WeakPolarHBondContact O-CD 3.45Å
38K97.1Very high96.8Very high68 Ų6855.6 Ų55.630%0.29628%0.279SS..Hα-helixtrans-100.5-15.1-176.5-63.9175.2-175.8163.80113.4E34 I35 I36 P40 H41 Y42 L52E34-K38 WeakPolarHBondContact O-CD 3.42Å; E34-K38 IonicContact OE2-NZ 2.74Å; E34-K38 PolarHBondContact OE2-NZ 3.46Å; I35-K38 PolarHBondContact O-N 2.78Å; I35-K38 VanDerWaalsContact O-N 3.16Å; I36-K38 PolarHBondContact O-N 3.24Å; K38-P40 VanDerWaalsContact C-CD 3.45Å; K38-H41 PolarHBondContact O-N 3.2Å; K38-Y42 HydrophobicContact CB-CD2 4.01Å; K38-Y42 HydrophobicContact CB-CE2 3.83Å; K38-Y42 HydrophobicContact CD-CE2 4.5Å; K38-Y42 VanDerWaalsContact O-CD2 3.3Å; K38-Y42 WeakPolarHBondContact O-CD2 3.22Å; K38-Y42 PolarHBondContact O-N 2.7Å; K38-L52 HydrophobicContact CB-CD1 4.34Å; K38-L52 HydrophobicContact CD-CD1 4.4Å; K38-L52 HydrophobicContact CD-CD2 4.04Å; K38-L52 HydrophobicContact CD-CG 4.37Å
39A96Very high96.7Very high8 Ų854 Ų547%0.06627%0.272CS..Hα-helixtrans-55-39.3-178.800000114.3I35 I36 D43 C91 I94I35-A39 WeakPolarHBondContact O-CB 3.28Å; I35-A39 PolarHBondContact O-N 3.27Å; I36-A39 PolarHBondContact O-N 3.17Å; A39-D43 WeakPolarHBondContact O-CB 3.47Å; A39-D43 PolarHBondContact O-N 3.44Å; A39-C91 HydrophobicContact CB-CB 3.72Å; A39-I94 HydrophobicContact CB-CD1 4.21Å
40P94.5Very high96.6Very high70 Ų7051.8 Ų51.846%0.45526%0.26SS..Hα-helixtrans-62.2-42.9176.5-24.935.6000113.1I36 K38 D43 Q44I36-P40 WeakPolarHBondContact O-CD 3.06Å; K38-P40 VanDerWaalsContact C-CD 3.45Å; P40-D43 PolarHBondContact O-N 3.1Å; P40-Q44 WeakPolarHBondContact O-CB 3.16Å; P40-Q44 VanDerWaalsContact O-CG 3.3Å; P40-Q44 WeakPolarHBondContact O-CG 3.4Å; P40-Q44 PolarHBondContact O-N 2.94Å
41H96.1Very high96.6Very high93 Ų9356 Ų5643%0.43128%0.283SS..Hα-helixtrans-60.1-51.7178.1172.278.8000111.1K38 D43 Q44 T45 E47K38-H41 PolarHBondContact O-N 3.2Å; H41-D43 VanDerWaalsContact C-N 3.28Å; H41-D43 PolarHBondContact O-N 3.32Å; H41-Q44 PolarHBondContact O-N 3.31Å; H41-T45 WeakPolarHBondContact O-CG2 3.47Å; H41-T45 PolarHBondContact O-N 2.92Å; H41-T45 PolarHBondContact O-OG1 3.19Å; H41-T45 VanDerWaalsContact O-OG1 3.05Å; H41-E47 IonicContact NE2-OE2 3.18Å
42Y96.7Very high96.5Very high15 Ų1556 Ų566%0.05928%0.283CS..Hα-helixtrans-65.6-29.1-179.8-72.4-59.5000113.3K38 G46 E47 P49 L52 I94 C227K38-Y42 HydrophobicContact CB-CD2 4.01Å; K38-Y42 HydrophobicContact CB-CE2 3.83Å; K38-Y42 HydrophobicContact CD-CE2 4.5Å; K38-Y42 VanDerWaalsContact O-CD2 3.3Å; K38-Y42 WeakPolarHBondContact O-CD2 3.22Å; K38-Y42 PolarHBondContact O-N 2.7Å; Y42-G46 VanDerWaalsContact O-CA 3.26Å; Y42-G46 WeakPolarHBondContact O-CA 3.08Å; Y42-G46 PolarHBondContact O-N 3.18Å; Y42-E47 HydrophobicContact CD1-CB 4.31Å; Y42-E47 WeakPolarHBondContact CD1-O 3.37Å; Y42-P49 HydrophobicContact CD1-CB 4Å; Y42-P49 HydrophobicContact CD2-CB 4.13Å; Y42-P49 HydrophobicContact CE1-CB 3.85Å; Y42-P49 HydrophobicContact CE2-CB 3.94Å; Y42-P49 HydrophobicContact CG-CB 4.15Å; Y42-L52 HydrophobicContact CD2-CD1 4.1Å; Y42-L52 HydrophobicContact CE2-CD1 3.59Å; Y42-L52 HydrophobicContact CE2-CG 4.14Å; Y42-I94 HydrophobicContact CD2-CD1 3.9Å; Y42-I94 HydrophobicContact CD2-CG1 4.47Å; Y42-C227 WeakPolarHBondContact O-CB 2.8Å
43D95.4Very high96.4Very high11 Ų1151.1 Ų51.16%0.05926%0.262CS..Hα-helixtrans-71-41172.9-173.979.7000112.8A39 P40 H41 R226 K387 R390A39-D43 WeakPolarHBondContact O-CB 3.47Å; A39-D43 PolarHBondContact O-N 3.44Å; P40-D43 PolarHBondContact O-N 3.1Å; H41-D43 VanDerWaalsContact C-N 3.28Å; H41-D43 PolarHBondContact O-N 3.32Å; D43-R226 WeakPolarHBondContact O-CD 3.19Å; D43-R226 IonicContact OD2-NH1 3.38Å; D43-R226 PolarHBondContact OD2-NH1 3.38Å; D43-K387 HydrophobicContact CB-CD 3.74Å; D43-K387 VanDerWaalsContact CB-CE 3.45Å; D43-K387 HydrophobicContact CB-CG 4.49Å; D43-K387 WeakPolarHBondContact OD1-CE 3.45Å; D43-R390 IonicContact OD1-CZ 3.71Å; D43-R390 IonicContact OD1-NH1 3Å; D43-R390 PolarHBondContact OD1-NH1 3Å; D43-R390 IonicContact OD1-NH2 3.47Å; D43-R390 PolarHBondContact OD1-NH2 3.03Å; D43-R390 IonicContact OD2-CZ 3.51Å; D43-R390 IonicContact OD2-NH1 3.43Å; D43-R390 PolarHBondContact OD2-NH1 3.18Å; D43-R390 IonicContact OD2-NH2 2.73Å; D43-R390 PolarHBondContact OD2-NH2 2.83Å
44Q94.2Very high96.4Very high145 Ų14550.1 Ų50.168%0.67826%0.255SS*.Hα-helixtrans-70.9-46.3179.7-72.6175.42.300112.2P40 H41P40-Q44 WeakPolarHBondContact O-CB 3.16Å; P40-Q44 VanDerWaalsContact O-CG 3.3Å; P40-Q44 WeakPolarHBondContact O-CG 3.4Å; P40-Q44 PolarHBondContact O-N 2.94Å; H41-Q44 PolarHBondContact O-N 3.31Å
45T96.1Very high96.4Very high75 Ų7551.3 Ų51.346%0.4626%0.26SS..Hα-helixtrans-81.4-27.5-177.863.40000112.4H41 E47H41-T45 WeakPolarHBondContact O-CG2 3.47Å; H41-T45 PolarHBondContact O-N 2.92Å; H41-T45 PolarHBondContact O-OG1 3.19Å; H41-T45 VanDerWaalsContact O-OG1 3.05Å; T45-E47 PolarHBondContact O-N 3.08Å; T45-E47 WeakPolarHBondContact OG1-CB 3.49Å; T45-E47 PolarHBondContact OG1-N 2.95Å; T45-E47 VanDerWaalsContact OG1-N 3.17Å
46G94.7Very high96.3Very high11 Ų1151.3 Ų51.311%0.11326%0.26CS..  trans63.117.3-16900000113Y42 K219 R226Y42-G46 VanDerWaalsContact O-CA 3.26Å; Y42-G46 WeakPolarHBondContact O-CA 3.08Å; Y42-G46 PolarHBondContact O-N 3.18Å; G46-K219 VanDerWaalsContact O-CE 3.29Å; G46-K219 WeakPolarHBondContact O-CE 3.3Å; G46-K219 PolarHBondContact O-NZ 3.34Å; G46-R226 WeakPolarHBondContact CA-O 3.45Å
47E96.3Very high96.2Very high106 Ų10652.2 Ų52.250%0.49526%0.261SS..  trans-66.3145.7175.6-174.6179.917100110.7H41 Y42 T45 C227H41-E47 IonicContact NE2-OE2 3.18Å; Y42-E47 HydrophobicContact CD1-CB 4.31Å; Y42-E47 WeakPolarHBondContact CD1-O 3.37Å; T45-E47 PolarHBondContact O-N 3.08Å; T45-E47 WeakPolarHBondContact OG1-CB 3.49Å; T45-E47 PolarHBondContact OG1-N 2.95Å; T45-E47 VanDerWaalsContact OG1-N 3.17Å; E47-C227 WeakPolarHBondContact O-CA 3.46Å; E47-C227 WeakPolarHBondContact O-CB 3.18Å
48Y96.7Very high96.2Very high2 Ų253.7 Ų53.71%0.00826%0.264CS..  trans-70.7130.2174.5-165.1-92.9000110.8W50 A97 I138 N177 Y180 D229Y48-W50 AromaticContact CD1-CD1 3.71Å; Y48-W50 AromaticContact CD1-CD2 3.91Å; Y48-W50 HydrophobicContact CD1-CD2 3.91Å; Y48-W50 AromaticContact CD1-CE2 3.77Å; Y48-W50 AromaticContact CD1-CG 3.91Å; Y48-W50 HydrophobicContact CD1-CG 3.91Å; Y48-W50 HydrophobicContact CD1-CZ2 4.44Å; Y48-W50 AromaticContact CD1-NE1 3.6Å; Y48-W50 HydrophobicContact CE1-CD2 4.15Å; Y48-W50 HydrophobicContact CE1-CE3 4.47Å; Y48-W50 HydrophobicContact CE1-CZ2 4.4Å; Y48-W50 PolarHBondContact O-N 3.1Å; Y48-A97 HydrophobicContact CE2-CB 3.84Å; Y48-A97 PolarHBondContact OH-O 3.03Å; Y48-I138 HydrophobicContact CE1-CD1 4.4Å; Y48-I138 VanDerWaalsContact OH-CD1 3.25Å; Y48-I138 WeakPolarHBondContact OH-CD1 3.42Å; Y48-N177 PolarHBondContact OH-OD1 2.82Å; Y48-Y180 HydrophobicContact CD1-CD2 4.19Å; Y48-Y180 HydrophobicContact CD1-CE2 4.3Å; Y48-Y180 AromaticContact CD2-CD2 3.61Å; Y48-Y180 HydrophobicContact CD2-CD2 3.61Å; Y48-Y180 AromaticContact CD2-CE2 3.64Å; Y48-Y180 HydrophobicContact CD2-CE2 3.64Å; Y48-Y180 HydrophobicContact CE2-CD2 4Å; Y48-Y180 HydrophobicContact CE2-CE2 4.48Å; Y48-Y180 AromaticContact CG-CD2 3.69Å; Y48-Y180 HydrophobicContact CG-CD2 3.69Å; Y48-Y180 AromaticContact CG-CE2 3.51Å; Y48-Y180 HydrophobicContact CG-CE2 3.51Å; Y48-D229 HydrophobicContact CD2-CB 3.85Å; Y48-D229 HydrophobicContact CE2-CB 4.22Å
49P96.8Very high96.1Very high0 Ų054.5 Ų54.50%027%0.271CS..  trans-82.561.4-16935.6-38.1000112.7Y42 D51 L52 Y53 I94 A97Y42-P49 HydrophobicContact CD1-CB 4Å; Y42-P49 HydrophobicContact CD2-CB 4.13Å; Y42-P49 HydrophobicContact CE1-CB 3.85Å; Y42-P49 HydrophobicContact CE2-CB 3.94Å; Y42-P49 HydrophobicContact CG-CB 4.15Å; P49-D51 VanDerWaalsContact C-N 3.34Å; P49-D51 PolarHBondContact O-N 3.13Å; P49-L52 HydrophobicContact CB-CB 4.31Å; P49-L52 HydrophobicContact CB-CD1 4.42Å; P49-L52 PolarHBondContact O-N 3.47Å; P49-Y53 WeakPolarHBondContact O-CB 3.49Å; P49-Y53 PolarHBondContact O-N 2.93Å; P49-I94 HydrophobicContact CB-CG1 4.22Å; P49-I94 HydrophobicContact CG-CG1 4.2Å; P49-I94 HydrophobicContact CG-CG2 4.38Å; P49-A97 HydrophobicContact CG-CB 3.77Å
50W96.9Very high95.9Very high73 Ų7354.9 Ų54.928%0.27728%0.275SS..Hα-helixtrans-56.8-41.8-175-86.8112000114Y48 L52 Y53 K54 I138 Y180Y48-W50 AromaticContact CD1-CD1 3.71Å; Y48-W50 AromaticContact CD1-CD2 3.91Å; Y48-W50 HydrophobicContact CD1-CD2 3.91Å; Y48-W50 AromaticContact CD1-CE2 3.77Å; Y48-W50 AromaticContact CD1-CG 3.91Å; Y48-W50 HydrophobicContact CD1-CG 3.91Å; Y48-W50 HydrophobicContact CD1-CZ2 4.44Å; Y48-W50 AromaticContact CD1-NE1 3.6Å; Y48-W50 HydrophobicContact CE1-CD2 4.15Å; Y48-W50 HydrophobicContact CE1-CE3 4.47Å; Y48-W50 HydrophobicContact CE1-CZ2 4.4Å; Y48-W50 PolarHBondContact O-N 3.1Å; W50-L52 VanDerWaalsContact C-N 3.34Å; W50-L52 PolarHBondContact O-N 2.6Å; W50-Y53 HydrophobicContact CE3-CD1 4.03Å; W50-Y53 AromaticContact CZ3-CD1 3.91Å; W50-Y53 HydrophobicContact CZ3-CD1 3.91Å; W50-Y53 HydrophobicContact CZ3-CE1 4.31Å; W50-Y53 PolarHBondContact O-N 3.4Å; W50-K54 WeakPolarHBondContact O-CG 3.42Å; W50-K54 PolarHBondContact O-N 3.43Å; W50-I138 HydrophobicContact CH2-CG1 3.64Å; W50-I138 HydrophobicContact CZ2-CG1 4.37Å; W50-I138 HydrophobicContact CZ3-CG1 4.1Å; W50-Y180 AromaticContact CE2-CD1 3.94Å; W50-Y180 AromaticContact CZ2-CD1 3.62Å; W50-Y180 HydrophobicContact CZ2-CD1 3.62Å; W50-Y180 HydrophobicContact CZ2-CE1 4.39Å; W50-Y180 AromaticContact CZ2-CG 3.85Å; W50-Y180 HydrophobicContact CZ2-CG 3.85Å; W50-Y180 AromaticContact NE1-CD1 3.65Å; W50-Y180 AromaticContact NE1-CE1 3.52Å
51D96.9Very high95.8Very high100 Ų10051.6 Ų51.654%0.53525%0.254SS..Hα-helixtrans-63.8-41.9-179.9-68.5-13.3000111.5P49 K55P49-D51 VanDerWaalsContact C-N 3.34Å; P49-D51 PolarHBondContact O-N 3.13Å; D51-K55 WeakPolarHBondContact O-CG 3.43Å; D51-K55 PolarHBondContact O-N 2.81Å; D51-K55 VanDerWaalsContact O-N 3.14Å
52L97.3Very high95.5Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-71.4-37.2176.1-66.9-179.3000111.8F30 E34 K38 Y42 P49 W50 K55 A56 I94F30-L52 HydrophobicContact CZ-CB 4.46Å; F30-L52 HydrophobicContact CZ-CD2 4.13Å; E34-L52 HydrophobicContact CB-CD2 3.84Å; K38-L52 HydrophobicContact CB-CD1 4.34Å; K38-L52 HydrophobicContact CD-CD1 4.4Å; K38-L52 HydrophobicContact CD-CD2 4.04Å; K38-L52 HydrophobicContact CD-CG 4.37Å; Y42-L52 HydrophobicContact CD2-CD1 4.1Å; Y42-L52 HydrophobicContact CE2-CD1 3.59Å; Y42-L52 HydrophobicContact CE2-CG 4.14Å; P49-L52 HydrophobicContact CB-CB 4.31Å; P49-L52 HydrophobicContact CB-CD1 4.42Å; P49-L52 PolarHBondContact O-N 3.47Å; W50-L52 VanDerWaalsContact C-N 3.34Å; W50-L52 PolarHBondContact O-N 2.6Å; L52-K55 PolarHBondContact O-N 2.71Å; L52-A56 VanDerWaalsContact O-CB 3.25Å; L52-A56 WeakPolarHBondContact O-CB 3.23Å; L52-A56 PolarHBondContact O-N 3.29Å; L52-I94 HydrophobicContact CB-CG2 4.3Å; L52-I94 HydrophobicContact CD1-CD1 3.67Å; L52-I94 HydrophobicContact CD1-CG1 4.32Å; L52-I94 HydrophobicContact CD1-CG2 3.94Å
53Y96.2Very high94.9Very high0 Ų047.1 Ų47.10%024%0.235CC..Hα-helixtrans-60.5-48.3175.9179.2-100.5000111.7P49 W50 A56 W57 A62 I98 N101 P136 L137 I138P49-Y53 WeakPolarHBondContact O-CB 3.49Å; P49-Y53 PolarHBondContact O-N 2.93Å; W50-Y53 HydrophobicContact CE3-CD1 4.03Å; W50-Y53 AromaticContact CZ3-CD1 3.91Å; W50-Y53 HydrophobicContact CZ3-CD1 3.91Å; W50-Y53 HydrophobicContact CZ3-CE1 4.31Å; W50-Y53 PolarHBondContact O-N 3.4Å; Y53-A56 PolarHBondContact O-N 3.14Å; Y53-W57 WeakPolarHBondContact O-CB 3.32Å; Y53-W57 PolarHBondContact O-N 2.91Å; Y53-A62 HydrophobicContact CE2-CB 4.29Å; Y53-I98 HydrophobicContact CD2-CB 4.5Å; Y53-I98 HydrophobicContact CD2-CG1 4.25Å; Y53-N101 PolarHBondContact OH-ND2 3.42Å; Y53-P136 HydrophobicContact CD1-CB 4.14Å; Y53-P136 HydrophobicContact CE1-CB 3.7Å; Y53-P136 WeakPolarHBondContact CE1-O 3.24Å; Y53-L137 PolarHBondContact OH-O 3.43Å; Y53-I138 HydrophobicContact CD1-CD1 3.99Å; Y53-I138 HydrophobicContact CD2-CD1 4.01Å; Y53-I138 HydrophobicContact CE1-CD1 3.52Å; Y53-I138 HydrophobicContact CE1-CG1 4.41Å; Y53-I138 HydrophobicContact CE2-CD1 3.58Å; Y53-I138 HydrophobicContact CG-CD1 4.22Å
54K97.1Very high94.4Very high98 Ų9847 Ų4743%0.42624%0.235SC..Hα-helixtrans-62.1-46.9178-70.8173.7-178.7175.10111.6W50 A56 W57 D58 P136W50-K54 WeakPolarHBondContact O-CG 3.42Å; W50-K54 PolarHBondContact O-N 3.43Å; K54-A56 VanDerWaalsContact C-N 3.34Å; K54-A56 PolarHBondContact O-N 3.19Å; K54-W57 WeakPolarHBondContact O-CB 3.41Å; K54-W57 PolarHBondContact O-N 2.83Å; K54-W57 VanDerWaalsContact O-N 3.14Å; K54-D58 VanDerWaalsContact O-CG 3.32Å; K54-D58 PolarHBondContact O-N 2.78Å; K54-P136 HydrophobicContact CG-CB 4.14Å; K54-P136 HydrophobicContact CG-CG 4Å
55K97.6Very high93.8Very high75 Ų7541.6 Ų41.633%0.32621%0.21SC..Hα-helixtrans-59.6-43.1175.1-73-177.6177.9-164.60112.5F30 E34 D51 L52 W57 D58 L59F30-K55 HydrophobicContact CE2-CB 3.73Å; F30-K55 HydrophobicContact CE2-CD 4.35Å; F30-K55 HydrophobicContact CZ-CB 4.05Å; E34-K55 IonicContact OE1-NZ 3.7Å; E34-K55 PolarHBondContact OE1-NZ 3.07Å; E34-K55 IonicContact OE2-NZ 2.86Å; E34-K55 PolarHBondContact OE2-NZ 3.43Å; D51-K55 WeakPolarHBondContact O-CG 3.43Å; D51-K55 PolarHBondContact O-N 2.81Å; D51-K55 VanDerWaalsContact O-N 3.14Å; L52-K55 PolarHBondContact O-N 2.71Å; K55-W57 VanDerWaalsContact C-N 3.3Å; K55-W57 PolarHBondContact O-N 2.99Å; K55-D58 PolarHBondContact O-N 3.45Å; K55-L59 WeakPolarHBondContact O-CB 3.26Å; K55-L59 VanDerWaalsContact O-CG 3.27Å; K55-L59 WeakPolarHBondContact O-CG 3.25Å; K55-L59 PolarHBondContact O-N 3.37Å
56A96.1Very high93.2Very high0 Ų038.1 Ų38.10%019%0.188CC..Hα-helixtrans-63.8-38.2176.900000111.5F30 L52 Y53 K54 L59 G60 L61 A62 I98F30-A56 HydrophobicContact CE1-CB 3.84Å; F30-A56 HydrophobicContact CZ-CB 4.03Å; L52-A56 VanDerWaalsContact O-CB 3.25Å; L52-A56 WeakPolarHBondContact O-CB 3.23Å; L52-A56 PolarHBondContact O-N 3.29Å; Y53-A56 PolarHBondContact O-N 3.14Å; K54-A56 VanDerWaalsContact C-N 3.34Å; K54-A56 PolarHBondContact O-N 3.19Å; A56-L59 PolarHBondContact O-N 3.01Å; A56-G60 PolarHBondContact O-N 3.48Å; A56-L61 HydrophobicContact CB-CB 4.27Å; A56-L61 WeakPolarHBondContact O-CA 3.45Å; A56-L61 WeakPolarHBondContact O-CB 3.46Å; A56-L61 PolarHBondContact O-N 3.38Å; A56-A62 PolarHBondContact O-N 3.43Å; A56-I98 HydrophobicContact CB-CD1 3.73Å; A56-I98 HydrophobicContact CB-CG1 4.07Å; A56-I98 HydrophobicContact CB-CG2 3.93Å
57W94.9Very high92.7Very high59 Ų5938.2 Ų38.222%0.22319%0.187CC..Hα-helixtrans-64.9-46.2174.2-176.695000111.8Y53 K54 K55 L59 G60 A62 M132 T133 E135 P136Y53-W57 WeakPolarHBondContact O-CB 3.32Å; Y53-W57 PolarHBondContact O-N 2.91Å; K54-W57 WeakPolarHBondContact O-CB 3.41Å; K54-W57 PolarHBondContact O-N 2.83Å; K54-W57 VanDerWaalsContact O-N 3.14Å; K55-W57 VanDerWaalsContact C-N 3.3Å; K55-W57 PolarHBondContact O-N 2.99Å; W57-L59 PolarHBondContact O-N 3.45Å; W57-G60 PolarHBondContact O-N 3.35Å; W57-A62 HydrophobicContact CB-CB 4.12Å; W57-M132 PolarHBondContact NE1-O 2.88Å; W57-T133 VanDerWaalsContact CZ2-O 3.28Å; W57-T133 WeakPolarHBondContact CZ2-O 3.49Å; W57-E135 PolarHBondContact NE1-O 2.98Å; W57-P136 HydrophobicContact CB-CB 4.12Å; W57-P136 HydrophobicContact CD2-CB 3.95Å; W57-P136 HydrophobicContact CE3-CB 4.35Å; W57-P136 HydrophobicContact CG-CB 3.83Å
58D95.7Very high92.3Very high118 Ų11840 Ų4063%0.63120%0.196SC*.Hα-helixtrans-60.7-32.4176.6-67.2-32.8000112.4K54 K55 G60K54-D58 VanDerWaalsContact O-CG 3.32Å; K54-D58 PolarHBondContact O-N 2.78Å; K55-D58 PolarHBondContact O-N 3.45Å; D58-G60 VanDerWaalsContact C-N 3.3Å
59L95.9Very high91.7Very high85 Ų8544 Ų4445%0.44523%0.229SC..THydrogen-bonded Turntrans-82.6-0.8176.7-69.2173000113.9F30 K55 A56 W57 L61F30-L59 HydrophobicContact CB-CD1 4.2Å; F30-L59 HydrophobicContact CD2-CD1 3.51Å; F30-L59 HydrophobicContact CE2-CD1 4.09Å; F30-L59 HydrophobicContact CG-CD1 3.96Å; K55-L59 WeakPolarHBondContact O-CB 3.26Å; K55-L59 VanDerWaalsContact O-CG 3.27Å; K55-L59 WeakPolarHBondContact O-CG 3.25Å; K55-L59 PolarHBondContact O-N 3.37Å; A56-L59 PolarHBondContact O-N 3.01Å; W57-L59 PolarHBondContact O-N 3.45Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-L61 HydrophobicContact CB-CD1 4.01Å; L59-L61 HydrophobicContact CB-CG 3.9Å; L59-L61 HydrophobicContact CD1-CD1 4.14Å; L59-L61 PolarHBondContact O-N 3.02Å
60G92Very high91.2Very high16 Ų1645.1 Ų45.117%0.16523%0.233CC..THydrogen-bonded Turntrans71.918.6-176.400000114.5A56 W57 D58 L73A56-G60 PolarHBondContact O-N 3.48Å; W57-G60 PolarHBondContact O-N 3.35Å; D58-G60 VanDerWaalsContact C-N 3.3Å; G60-L73 WeakPolarHBondContact O-CD1 3.45Å
61L92.2Very high90.6Very high1 Ų144.4 Ų44.41%0.00525%0.249CC..  trans-93.1-6.7179.7-56.2177.5000113V26 A27 F30 A56 L59 V83 L87V26-L61 HydrophobicContact CG1-CD1 4.42Å; V26-L61 HydrophobicContact CG1-CD2 4.3Å; A27-L61 HydrophobicContact CB-CD1 4.46Å; A27-L61 HydrophobicContact CB-CD2 3.94Å; F30-L61 HydrophobicContact CB-CD1 3.93Å; F30-L61 HydrophobicContact CD1-CD1 3.9Å; F30-L61 HydrophobicContact CG-CD1 4Å; A56-L61 HydrophobicContact CB-CB 4.27Å; A56-L61 WeakPolarHBondContact O-CA 3.45Å; A56-L61 WeakPolarHBondContact O-CB 3.46Å; A56-L61 PolarHBondContact O-N 3.38Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-L61 HydrophobicContact CB-CD1 4.01Å; L59-L61 HydrophobicContact CB-CG 3.9Å; L59-L61 HydrophobicContact CD1-CD1 4.14Å; L59-L61 PolarHBondContact O-N 3.02Å; L61-V83 HydrophobicContact CB-CG1 4.4Å; L61-V83 HydrophobicContact CD2-CG1 4.07Å; L61-V83 HydrophobicContact CD2-CG2 4.45Å; L61-L87 HydrophobicContact CB-CD1 4.46Å; L61-L87 HydrophobicContact CD1-CD2 4.23Å
62A89.1Confident90.1Very high6 Ų640.3 Ų40.35%0.0523%0.23CC..SBendtrans-106.2150.9167.800000109.1Y53 A56 W57 T64 I98Y53-A62 HydrophobicContact CE2-CB 4.29Å; A56-A62 PolarHBondContact O-N 3.43Å; W57-A62 HydrophobicContact CB-CB 4.12Å; A62-T64 PolarHBondContact O-N 3.23Å; A62-I98 HydrophobicContact CB-CG2 3.98Å
63N84.7Confident89.7Confident8 Ų844 Ų444%0.04325%0.249CC..SBendtrans59.228.3174.8-57.4-38.8000117.1E65 I66 N101 K105 M132N63-E65 VanDerWaalsContact C-N 3.35Å; N63-E65 PolarHBondContact O-N 3.21Å; N63-I66 HydrophobicContact CB-CD1 3.68Å; N63-I66 HydrophobicContact CB-CG1 4.17Å; N63-I66 WeakPolarHBondContact O-CG1 3.44Å; N63-I66 PolarHBondContact O-N 2.88Å; N63-N101 VanDerWaalsContact OD1-CB 3.32Å; N63-N101 WeakPolarHBondContact OD1-CB 3.36Å; N63-N101 PolarHBondContact OD1-ND2 2.87Å; N63-K105 VanDerWaalsContact CA-NZ 3.26Å; N63-K105 WeakPolarHBondContact OD1-CE 3.22Å; N63-K105 PolarHBondContact OD1-NZ 3.23Å; N63-M132 PolarHBondContact ND2-O 2.96Å
64T85.6Confident89.2Confident9 Ų948.1 Ų48.16%0.05527%0.271CS..THydrogen-bonded Turntrans-51.1-42.9-174.556.50000115A62 I66 N74 L75 S80 V83A62-T64 PolarHBondContact O-N 3.23Å; T64-I66 VanDerWaalsContact C-N 3.34Å; T64-I66 PolarHBondContact O-N 3.37Å; T64-N74 PolarHBondContact O-N 3.41Å; T64-L75 HydrophobicContact CG2-CD2 3.93Å; T64-L75 PolarHBondContact O-N 3.47Å; T64-S80 PolarHBondContact OG1-OG 3.42Å; T64-V83 HydrophobicContact CG2-CG1 4.44Å
65E81.9Confident88.6Confident31 Ų3144 Ų4415%0.14525%0.253CS..THydrogen-bonded Turntrans-84.94.2-174-58.5171163.300114.4N63 P67 S80 L106 Q272N63-E65 VanDerWaalsContact C-N 3.35Å; N63-E65 PolarHBondContact O-N 3.21Å; E65-P67 WeakPolarHBondContact O-CD 3.38Å; E65-S80 WeakPolarHBondContact CG-OG 3.29Å; E65-S80 WeakPolarHBondContact OE1-CB 3.39Å; E65-L106 WeakPolarHBondContact OE2-CD2 3.48Å; E65-Q272 PolarHBondContact OE1-NE2 2.9Å
66I83.1Confident88Confident3 Ų342.1 Ų42.12%0.01525%0.25CS..SBendtrans-67.2129.8177.3-66.3-178.5000109N63 T64 G72 L73 N74 K105 L129 M132 T133N63-I66 HydrophobicContact CB-CD1 3.68Å; N63-I66 HydrophobicContact CB-CG1 4.17Å; N63-I66 WeakPolarHBondContact O-CG1 3.44Å; N63-I66 PolarHBondContact O-N 2.88Å; T64-I66 VanDerWaalsContact C-N 3.34Å; T64-I66 PolarHBondContact O-N 3.37Å; I66-G72 CarbonylContact O-C 3.52Å; I66-G72 VanDerWaalsContact O-C 3.26Å; I66-G72 VanDerWaalsContact O-CA 3.22Å; I66-G72 WeakPolarHBondContact O-CA 3.27Å; I66-L73 PolarHBondContact O-N 3.36Å; I66-N74 WeakPolarHBondContact O-CA 3.48Å; I66-N74 PolarHBondContact O-N 3.32Å; I66-K105 HydrophobicContact CD1-CD 3.75Å; I66-K105 HydrophobicContact CG1-CD 3.58Å; I66-L129 HydrophobicContact CD1-CD2 4.12Å; I66-L129 HydrophobicContact CG1-CD2 4.12Å; I66-L129 HydrophobicContact CG2-CB 4.24Å; I66-L129 HydrophobicContact CG2-CD1 4.4Å; I66-M132 HydrophobicContact CD1-CB 3.83Å; I66-T133 HydrophobicContact CB-CG2 4.23Å; I66-T133 HydrophobicContact CD1-CG2 3.61Å; I66-T133 HydrophobicContact CG2-CG2 3.79Å
67P83Confident87.5Confident13 Ų1342.9 Ų42.98%0.08426%0.255CS..  trans-60.4147.7176.9-24.933.6000113.4E65 A69 Y70 G72E65-P67 WeakPolarHBondContact O-CD 3.38Å; P67-A69 PolarHBondContact O-N 3.19Å; P67-A69 VanDerWaalsContact O-N 3.16Å; P67-Y70 HydrophobicContact CB-CD2 3.95Å; P67-Y70 HydrophobicContact CB-CE2 4.23Å; P67-Y70 HydrophobicContact CG-CD2 4.1Å; P67-Y70 HydrophobicContact CG-CE2 4.24Å; P67-Y70 PolarHBondContact O-N 3.47Å; P67-G72 PolarHBondContact O-N 3.15Å
68E88.2Confident87Confident144 Ų14441.3 Ų41.367%0.67325%0.251SS*.G310 helixtrans-55.4-34.6178.2-68.3-179.5173.900112.8Y70 G71 G72 N74E68-Y70 PolarHBondContact O-N 3.47Å; E68-G71 PolarHBondContact O-N 2.73Å; E68-G72 WeakPolarHBondContact CA-O 3.47Å; E68-N74 HydrophobicContact CG-CB 3.89Å
69A85.1Confident86.7Confident86 Ų8636.9 Ų36.971%0.71123%0.227SC*.G310 helixtrans-57.4-17176.600000114P67P67-A69 PolarHBondContact O-N 3.19Å; P67-A69 VanDerWaalsContact O-N 3.16Å
70Y85Confident86.3Confident23 Ų2332.9 Ų32.99%0.0921%0.206CC..G310 helixtrans-117.518.7176.6-46.5-65.6000112.5P67 E68 E122 K125 K126 L129 T133P67-Y70 HydrophobicContact CB-CD2 3.95Å; P67-Y70 HydrophobicContact CB-CE2 4.23Å; P67-Y70 HydrophobicContact CG-CD2 4.1Å; P67-Y70 HydrophobicContact CG-CE2 4.24Å; P67-Y70 PolarHBondContact O-N 3.47Å; E68-Y70 PolarHBondContact O-N 3.47Å; Y70-E122 PolarHBondContact OH-OE1 3.48Å; Y70-E122 PolarHBondContact OH-OE2 3.13Å; Y70-K125 HydrophobicContact CD1-CB 4.2Å; Y70-K125 HydrophobicContact CE1-CB 3.57Å; Y70-K125 HydrophobicContact CE1-CD 4.48Å; Y70-K125 HydrophobicContact CE2-CB 4.15Å; Y70-K125 HydrophobicContact CE2-CD 4.1Å; Y70-K125 HydrophobicContact CE2-CG 4.45Å; Y70-K125 WeakPolarHBondContact OH-CD 3.34Å; Y70-K126 HydrophobicContact CD1-CB 4.45Å; Y70-L129 HydrophobicContact CD2-CD1 3.46Å; Y70-L129 VanDerWaalsContact CD2-CD1 3.46Å; Y70-L129 HydrophobicContact CE2-CD1 4.01Å; Y70-L129 HydrophobicContact CG-CB 4.15Å; Y70-L129 HydrophobicContact CG-CD1 3.88Å; Y70-T133 WeakPolarHBondContact O-CG2 3.37Å; Y70-T133 PolarHBondContact O-OG1 3.47Å
71G85.6Confident86.2Confident58 Ų5832.1 Ų32.160%0.59820%0.198SC*.THydrogen-bonded Turntrans81.313.6177.400000115E68 T133E68-G71 PolarHBondContact O-N 2.73Å; G71-T133 WeakPolarHBondContact O-CB 3.45Å; G71-T133 WeakPolarHBondContact O-CG2 3.46Å
72G86.5Confident86.2Confident13 Ų1332.1 Ų32.113%0.13420%0.198CC..  trans-90.8-179.2177.300000113.4I66 P67 E68I66-G72 CarbonylContact O-C 3.52Å; I66-G72 VanDerWaalsContact O-C 3.26Å; I66-G72 VanDerWaalsContact O-CA 3.22Å; I66-G72 WeakPolarHBondContact O-CA 3.27Å; P67-G72 PolarHBondContact O-N 3.15Å; E68-G72 WeakPolarHBondContact CA-O 3.47Å
73L87.6Confident86.4Confident77 Ų7731.8 Ų31.840%0.40320%0.195SC..  trans-92.5-11.8-178-62.7175.5000113.8G60 I66 L75G60-L73 WeakPolarHBondContact O-CD1 3.45Å; I66-L73 PolarHBondContact O-N 3.36Å; L73-L75 HydrophobicContact CB-CD1 3.3Å; L73-L75 HydrophobicContact CD1-CD1 4.04Å; L73-L75 HydrophobicContact CG-CD1 4.31Å; L73-L75 PolarHBondContact O-N 2.73Å
74N85.7Confident86.7Confident88 Ų8831.8 Ų31.847%0.47120%0.196SC..  trans51.438.3179.4-164.454.4000114.1T64 I66 E68T64-N74 PolarHBondContact O-N 3.41Å; I66-N74 WeakPolarHBondContact O-CA 3.48Å; I66-N74 PolarHBondContact O-N 3.32Å; E68-N74 HydrophobicContact CG-CB 3.89Å
75L86Confident87.2Confident10 Ų1031.5 Ų31.55%0.05219%0.194CC..  trans-59142.6176.1-90.666.5000110Y23 T64 L73 E79 V83Y23-L75 HydrophobicContact CD1-CD2 4.18Å; Y23-L75 HydrophobicContact CD2-CD2 3.95Å; Y23-L75 HydrophobicContact CD2-CG 4.32Å; Y23-L75 HydrophobicContact CE1-CD1 4.23Å; Y23-L75 HydrophobicContact CE1-CD2 4.16Å; Y23-L75 HydrophobicContact CE2-CD1 3.99Å; Y23-L75 HydrophobicContact CE2-CD2 3.9Å; Y23-L75 HydrophobicContact CE2-CG 3.83Å; Y23-L75 HydrophobicContact CG-CD2 4.12Å; T64-L75 HydrophobicContact CG2-CD2 3.93Å; T64-L75 PolarHBondContact O-N 3.47Å; L73-L75 HydrophobicContact CB-CD1 3.3Å; L73-L75 HydrophobicContact CD1-CD1 4.04Å; L73-L75 HydrophobicContact CG-CD1 4.31Å; L73-L75 PolarHBondContact O-N 2.73Å; L75-E79 HydrophobicContact CB-CB 4.07Å; L75-E79 HydrophobicContact CD2-CB 3.93Å; L75-E79 HydrophobicContact CG-CB 3.96Å; L75-V83 HydrophobicContact CD2-CG2 4.35Å
76S84.6Confident87.9Confident37 Ų3730.1 Ų30.126%0.25919%0.188SC..  trans-61163.6168.964.50000111.4L78 E79 S80S76-L78 PolarHBondContact O-N 2.73Å; S76-E79 VanDerWaalsContact CB-OE2 3.32Å; S76-E79 WeakPolarHBondContact CB-OE2 3.3Å; S76-E79 PolarHBondContact N-OE2 3.47Å; S76-E79 PolarHBondContact O-N 2.94Å; S76-E79 WeakPolarHBondContact OG-CB 3.31Å; S76-E79 VanDerWaalsContact OG-CG 3.23Å; S76-E79 WeakPolarHBondContact OG-CG 3.49Å; S76-E79 PolarHBondContact OG-N 3.49Å; S76-E79 VanDerWaalsContact OG-N 3.13Å; S76-E79 PolarHBondContact OG-OE2 3Å; S76-S80 WeakPolarHBondContact O-CB 3.29Å; S76-S80 PolarHBondContact O-N 2.91Å; S76-S80 PolarHBondContact O-OG 2.91Å; S76-S80 VanDerWaalsContact O-OG 3.05Å
77S84.5Confident88.5Confident15 Ų1530 Ų3011%0.10519%0.187CC..Hα-helixtrans-61.6-38.3174.8-41.20000110.4A81 V333 D334S77-A81 VanDerWaalsContact O-CB 3.32Å; S77-A81 WeakPolarHBondContact O-CB 3.47Å; S77-A81 PolarHBondContact O-N 3.43Å; S77-V333 WeakPolarHBondContact OG-CG1 3.06Å; S77-D334 WeakPolarHBondContact CA-OD1 3.45Å; S77-D334 WeakPolarHBondContact CB-OD1 3.32Å; S77-D334 PolarHBondContact N-OD1 3.16Å; S77-D334 PolarHBondContact OG-OD1 2.8Å
78L86.2Confident89.1Confident27 Ų2729.4 Ų29.414%0.14118%0.183CC..Hα-helixtrans-64.6-48.4176.5179.160000111.9L16 S76 S80 A81 I82 Y327 A330 D334L16-L78 HydrophobicContact CD2-CD2 4.47Å; S76-L78 PolarHBondContact O-N 2.73Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.38Å; L78-A81 WeakPolarHBondContact O-CB 3.27Å; L78-A81 PolarHBondContact O-N 3.2Å; L78-I82 HydrophobicContact CD1-CD1 4.22Å; L78-I82 HydrophobicContact CD1-CG1 4.49Å; L78-I82 HydrophobicContact CG-CD1 4.03Å; L78-I82 WeakPolarHBondContact O-CD1 3.28Å; L78-I82 VanDerWaalsContact O-CG1 3.3Å; L78-I82 WeakPolarHBondContact O-CG1 3.33Å; L78-I82 PolarHBondContact O-N 3Å; L78-Y327 HydrophobicContact CD1-CD1 3.85Å; L78-Y327 HydrophobicContact CD1-CD2 4.25Å; L78-Y327 HydrophobicContact CD1-CG 3.68Å; L78-A330 HydrophobicContact CB-CB 4.21Å; L78-A330 HydrophobicContact CD1-CB 4.33Å; L78-D334 VanDerWaalsContact CB-OD2 3.28Å; L78-D334 WeakPolarHBondContact CB-OD2 3.38Å; L78-D334 PolarHBondContact N-OD2 3.27Å
79E88.9Confident89.6Confident25 Ų2523 Ų2312%0.11715%0.153CC..Hα-helixtrans-61.4-41.8177-73.4158.3153.700111.5A20 Y23 L75 S76 A81 I82 V83A20-E79 HydrophobicContact CB-CG 3.92Å; Y23-E79 HydrophobicContact CD2-CB 4.44Å; Y23-E79 HydrophobicContact CD2-CG 4.36Å; L75-E79 HydrophobicContact CB-CB 4.07Å; L75-E79 HydrophobicContact CD2-CB 3.93Å; L75-E79 HydrophobicContact CG-CB 3.96Å; S76-E79 VanDerWaalsContact CB-OE2 3.32Å; S76-E79 WeakPolarHBondContact CB-OE2 3.3Å; S76-E79 PolarHBondContact N-OE2 3.47Å; S76-E79 PolarHBondContact O-N 2.94Å; S76-E79 WeakPolarHBondContact OG-CB 3.31Å; S76-E79 VanDerWaalsContact OG-CG 3.23Å; S76-E79 WeakPolarHBondContact OG-CG 3.49Å; S76-E79 PolarHBondContact OG-N 3.49Å; S76-E79 VanDerWaalsContact OG-N 3.13Å; S76-E79 PolarHBondContact OG-OE2 3Å; E79-A81 VanDerWaalsContact C-N 3.35Å; E79-A81 PolarHBondContact O-N 3.3Å; E79-I82 WeakPolarHBondContact O-CB 3.41Å; E79-I82 PolarHBondContact O-N 3.2Å; E79-V83 WeakPolarHBondContact O-CG2 3.46Å; E79-V83 PolarHBondContact O-N 3.31Å
80S88Confident90.1Very high1 Ų119 Ų191%0.00712%0.12CC..Hα-helixtrans-65.1-38.8176.3-63.30000111.7T64 E65 S76 L78 I82 V83 T84 Q272T64-S80 PolarHBondContact OG1-OG 3.42Å; E65-S80 WeakPolarHBondContact CG-OG 3.29Å; E65-S80 WeakPolarHBondContact OE1-CB 3.39Å; S76-S80 WeakPolarHBondContact O-CB 3.29Å; S76-S80 PolarHBondContact O-N 2.91Å; S76-S80 PolarHBondContact O-OG 2.91Å; S76-S80 VanDerWaalsContact O-OG 3.05Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.38Å; S80-I82 PolarHBondContact O-N 2.73Å; S80-V83 PolarHBondContact O-N 2.95Å; S80-T84 WeakPolarHBondContact O-CB 3.38Å; S80-T84 PolarHBondContact O-N 2.79Å; S80-T84 PolarHBondContact O-OG1 3.38Å; S80-Q272 PolarHBondContact O-OE1 2.88Å
81A88.9Confident90.7Very high0 Ų018 Ų180%012%0.116CC..Hα-helixtrans-63.3-39.8173.800000112.2S77 L78 E79 T84 E85 A275 Y327 A330S77-A81 VanDerWaalsContact O-CB 3.32Å; S77-A81 WeakPolarHBondContact O-CB 3.47Å; S77-A81 PolarHBondContact O-N 3.43Å; L78-A81 WeakPolarHBondContact O-CB 3.27Å; L78-A81 PolarHBondContact O-N 3.2Å; E79-A81 VanDerWaalsContact C-N 3.35Å; E79-A81 PolarHBondContact O-N 3.3Å; A81-T84 PolarHBondContact O-N 3.18Å; A81-E85 WeakPolarHBondContact O-CB 3.27Å; A81-E85 PolarHBondContact O-N 2.89Å; A81-A275 HydrophobicContact CB-CB 4.08Å; A81-A275 WeakPolarHBondContact O-CB 3.25Å; A81-Y327 HydrophobicContact CB-CD1 4.35Å; A81-Y327 HydrophobicContact CB-CE1 4.31Å; A81-A330 HydrophobicContact CB-CB 4.11Å
82I91.9Very high91.1Very high0 Ų015.2 Ų15.20%09%0.088CC..Hα-helixtrans-62.4-45.7176-71.7161.6000111.1L16 A20 Q24 L78 E79 S80 T84 E85 A86 Y327L16-I82 HydrophobicContact CD1-CD1 3.95Å; L16-I82 HydrophobicContact CD2-CD1 3.56Å; L16-I82 HydrophobicContact CG-CD1 4.38Å; A20-I82 HydrophobicContact CB-CD1 3.95Å; Q24-I82 HydrophobicContact CB-CG2 3.46Å; Q24-I82 VanDerWaalsContact CB-CG2 3.46Å; Q24-I82 HydrophobicContact CG-CG2 3.77Å; L78-I82 HydrophobicContact CD1-CD1 4.22Å; L78-I82 HydrophobicContact CD1-CG1 4.49Å; L78-I82 HydrophobicContact CG-CD1 4.03Å; L78-I82 WeakPolarHBondContact O-CD1 3.28Å; L78-I82 VanDerWaalsContact O-CG1 3.3Å; L78-I82 WeakPolarHBondContact O-CG1 3.33Å; L78-I82 PolarHBondContact O-N 3Å; E79-I82 WeakPolarHBondContact O-CB 3.41Å; E79-I82 PolarHBondContact O-N 3.2Å; S80-I82 PolarHBondContact O-N 2.73Å; I82-T84 VanDerWaalsContact C-N 3.34Å; I82-E85 PolarHBondContact O-N 2.97Å; I82-A86 WeakPolarHBondContact O-CB 3.47Å; I82-A86 PolarHBondContact O-N 3.26Å; I82-Y327 HydrophobicContact CG1-CE1 3.9Å; I82-Y327 HydrophobicContact CG1-CE2 4.21Å; I82-Y327 WeakPolarHBondContact CG1-OH 2.96Å
83V92.5Very high91.5Very high0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-60.1-46.2174.8170.80000110.2A27 L61 T64 L75 E79 S80 E85 A86 L87A27-V83 HydrophobicContact CB-CG1 4.3Å; L61-V83 HydrophobicContact CB-CG1 4.4Å; L61-V83 HydrophobicContact CD2-CG1 4.07Å; L61-V83 HydrophobicContact CD2-CG2 4.45Å; T64-V83 HydrophobicContact CG2-CG1 4.44Å; L75-V83 HydrophobicContact CD2-CG2 4.35Å; E79-V83 WeakPolarHBondContact O-CG2 3.46Å; E79-V83 PolarHBondContact O-N 3.31Å; S80-V83 PolarHBondContact O-N 2.95Å; V83-E85 PolarHBondContact O-N 3.29Å; V83-A86 PolarHBondContact O-N 2.98Å; V83-L87 HydrophobicContact CG1-CD1 3.81Å; V83-L87 HydrophobicContact CG1-CG 4.23Å; V83-L87 WeakPolarHBondContact O-CB 3.38Å; V83-L87 VanDerWaalsContact O-CG 3.29Å; V83-L87 WeakPolarHBondContact O-CG 3.33Å; V83-L87 PolarHBondContact O-N 2.99Å
84T92.9Very high91.9Very high8 Ų811 Ų115%0.0496%0.063CC..Hα-helixtrans-61.9-43.1179.7-60.70000113.1S80 A81 I82 S88 T95 L99 Q272 A275S80-T84 WeakPolarHBondContact O-CB 3.38Å; S80-T84 PolarHBondContact O-N 2.79Å; S80-T84 PolarHBondContact O-OG1 3.38Å; A81-T84 PolarHBondContact O-N 3.18Å; I82-T84 VanDerWaalsContact C-N 3.34Å; T84-S88 WeakPolarHBondContact O-CB 3.09Å; T84-S88 PolarHBondContact O-N 3.36Å; T84-S88 PolarHBondContact O-OG 3.36Å; T84-T95 HydrophobicContact CG2-CG2 4.47Å; T84-L99 HydrophobicContact CG2-CD1 3.63Å; T84-L99 WeakPolarHBondContact OG1-CD1 3.31Å; T84-Q272 VanDerWaalsContact CG2-O 3.23Å; T84-Q272 WeakPolarHBondContact CG2-O 3.47Å; T84-Q272 PolarHBondContact OG1-OE1 2.83Å; T84-A275 HydrophobicContact CG2-CB 4.02Å
85E94.8Very high92.3Very high3 Ų37 Ų71%0.0144%0.042CC..Hα-helixtrans-60-50175.4-175.3-177.2142.400110.7A81 I82 V83 L87 S88 Y89 A275 V278 G279 W282 R323 Y327A81-E85 WeakPolarHBondContact O-CB 3.27Å; A81-E85 PolarHBondContact O-N 2.89Å; I82-E85 PolarHBondContact O-N 2.97Å; V83-E85 PolarHBondContact O-N 3.29Å; E85-L87 PolarHBondContact O-N 3.29Å; E85-S88 PolarHBondContact O-N 3.17Å; E85-Y89 PolarHBondContact O-N 3.34Å; E85-A275 WeakPolarHBondContact CA-O 3.45Å; E85-A275 HydrophobicContact CB-CB 4.37Å; E85-V278 VanDerWaalsContact CD-CG1 3.49Å; E85-V278 HydrophobicContact CG-CB 4.31Å; E85-V278 HydrophobicContact CG-CG1 3.94Å; E85-V278 WeakPolarHBondContact OE2-CG1 3.41Å; E85-G279 WeakPolarHBondContact O-CA 3.39Å; E85-W282 HydrophobicContact CG-CE3 4.44Å; E85-R323 IonicContact OE1-CZ 3.35Å; E85-R323 IonicContact OE1-NE 2.84Å; E85-R323 PolarHBondContact OE1-NE 2.76Å; E85-R323 IonicContact OE1-NH2 2.85Å; E85-R323 PolarHBondContact OE1-NH2 3.29Å; E85-R323 IonicContact OE2-NE 3.16Å; E85-R323 PolarHBondContact OE2-NE 2.85Å; E85-Y327 VanDerWaalsContact OE2-CZ 3.31Å; E85-Y327 PolarHBondContact OE2-OH 3.38Å
86A96.4Very high92.6Very high2 Ų27.3 Ų7.32%0.0174%0.044CC..Hα-helixtrans-63.8-42.3-178.300000112.8A27 L28 A31 I82 V83A27-A86 HydrophobicContact CB-CB 3.66Å; L28-A86 HydrophobicContact CB-CB 4.22Å; A31-A86 WeakPolarHBondContact CB-O 3.41Å; I82-A86 WeakPolarHBondContact O-CB 3.47Å; I82-A86 PolarHBondContact O-N 3.26Å; V83-A86 PolarHBondContact O-N 2.98Å
87L96.6Very high92.9Very high0 Ų05.5 Ų5.50%03%0.032CC..Hα-helixtrans-65.2-42175.2-67.9177.9000111.5F30 I35 L61 V83 E85 Y89 G90 C91 T95 I98 L99F30-L87 HydrophobicContact CD1-CD2 3.72Å; F30-L87 HydrophobicContact CE1-CD2 4.31Å; I35-L87 HydrophobicContact CD1-CD2 3.82Å; L61-L87 HydrophobicContact CB-CD1 4.46Å; L61-L87 HydrophobicContact CD1-CD2 4.23Å; V83-L87 HydrophobicContact CG1-CD1 3.81Å; V83-L87 HydrophobicContact CG1-CG 4.23Å; V83-L87 WeakPolarHBondContact O-CB 3.38Å; V83-L87 VanDerWaalsContact O-CG 3.29Å; V83-L87 WeakPolarHBondContact O-CG 3.33Å; V83-L87 PolarHBondContact O-N 2.99Å; E85-L87 PolarHBondContact O-N 3.29Å; L87-Y89 VanDerWaalsContact C-N 3.31Å; L87-Y89 PolarHBondContact O-N 2.95Å; L87-G90 WeakPolarHBondContact O-CA 3.11Å; L87-G90 PolarHBondContact O-N 3.28Å; L87-C91 PolarHBondContact O-N 3.48Å; L87-T95 HydrophobicContact CB-CG2 3.72Å; L87-T95 HydrophobicContact CD1-CG2 4.5Å; L87-T95 PolarHBondContact O-OG1 2.7Å; L87-I98 HydrophobicContact CD1-CG2 4.25Å; L87-L99 HydrophobicContact CD1-CD1 4.38Å; L87-L99 HydrophobicContact CD1-CD2 4.36Å; L87-L99 HydrophobicContact CD1-CG 4.43Å
88S96.1Very high93.2Very high1 Ų14.8 Ų4.81%0.0073%0.027CC..Hα-helixtrans-68.8-28.5-176.9-65.90000113.2T84 E85 G90 C91 T95 G276T84-S88 WeakPolarHBondContact O-CB 3.09Å; T84-S88 PolarHBondContact O-N 3.36Å; T84-S88 PolarHBondContact O-OG 3.36Å; E85-S88 PolarHBondContact O-N 3.17Å; S88-G90 PolarHBondContact O-N 3.43Å; S88-C91 PolarHBondContact O-N 3.26Å; S88-T95 WeakPolarHBondContact CA-OG1 3.38Å; S88-T95 PolarHBondContact N-OG1 2.67Å; S88-T95 VanDerWaalsContact OG-CG2 3.27Å; S88-T95 WeakPolarHBondContact OG-CG2 3.44Å; S88-G276 WeakPolarHBondContact CB-O 3.46Å; S88-G276 WeakPolarHBondContact OG-CA 3.5Å
89Y97.1Very high93.1Very high8 Ų85.1 Ų5.13%0.0313%0.028CC..Hα-helixtrans-56.4-33.4167.2170.2-86.5000112L28 K32 I36 E85 L87 G279 W282 R283 D286L28-Y89 HydrophobicContact CD1-CD1 3.87Å; L28-Y89 HydrophobicContact CD1-CE1 4.24Å; L28-Y89 HydrophobicContact CD1-CG 4.4Å; K32-Y89 HydrophobicContact CG-CE1 4.16Å; I36-Y89 HydrophobicContact CD1-CD1 4.32Å; I36-Y89 HydrophobicContact CD1-CE1 3.85Å; E85-Y89 PolarHBondContact O-N 3.34Å; L87-Y89 VanDerWaalsContact C-N 3.31Å; L87-Y89 PolarHBondContact O-N 2.95Å; Y89-G279 WeakPolarHBondContact CA-O 3.41Å; Y89-W282 HydrophobicContact CD2-CB 4.38Å; Y89-W282 AromaticContact CD2-CD2 3.48Å; Y89-W282 HydrophobicContact CD2-CD2 3.48Å; Y89-W282 VanDerWaalsContact CD2-CD2 3.48Å; Y89-W282 AromaticContact CD2-CE2 3.83Å; Y89-W282 AromaticContact CD2-CE3 3.65Å; Y89-W282 HydrophobicContact CD2-CE3 3.65Å; Y89-W282 AromaticContact CD2-CG 3.84Å; Y89-W282 HydrophobicContact CD2-CG 3.84Å; Y89-W282 HydrophobicContact CD2-CH2 4.46Å; Y89-W282 HydrophobicContact CD2-CZ2 4.32Å; Y89-W282 HydrophobicContact CD2-CZ3 4.14Å; Y89-W282 HydrophobicContact CE2-CD2 4.02Å; Y89-W282 AromaticContact CE2-CE2 3.91Å; Y89-W282 HydrophobicContact CE2-CG 4.29Å; Y89-W282 HydrophobicContact CE2-CZ2 4.33Å; Y89-W282 HydrophobicContact CG-CD2 4.28Å; Y89-W282 AromaticContact CG-CE3 3.98Å; Y89-W282 HydrophobicContact CG-CE3 3.98Å; Y89-W282 HydrophobicContact CG-CZ3 4.16Å; Y89-R283 HydrophobicContact CD2-CB 3.74Å; Y89-R283 HydrophobicContact CD2-CG 4.46Å; Y89-R283 HydrophobicContact CE2-CB 4.12Å; Y89-R283 HydrophobicContact CG-CB 4.27Å; Y89-R283 WeakPolarHBondContact O-CB 3.27Å; Y89-R283 VanDerWaalsContact O-CD 3.31Å; Y89-R283 WeakPolarHBondContact O-CD 3.29Å; Y89-R283 VanDerWaalsContact O-CG 3.27Å; Y89-R283 WeakPolarHBondContact O-CG 3.24Å; Y89-R283 PolarHBondContact O-NH1 2.78Å; Y89-D286 HydrophobicContact CE2-CB 4.07Å; Y89-D286 PolarHBondContact OH-OD2 3.14Å
90G96.7Very high92.5Very high3 Ų34.4 Ų4.43%0.0313%0.027CC..Hα-helixtrans-69.8-64.8173.200000112.5L87 S88 R283L87-G90 WeakPolarHBondContact O-CA 3.11Å; L87-G90 PolarHBondContact O-N 3.28Å; S88-G90 PolarHBondContact O-N 3.43Å; G90-R283 PolarHBondContact O-NH1 2.84Å; G90-R283 VanDerWaalsContact O-NH1 3.14Å
91C96.8Very high92Very high1 Ų14.4 Ų4.41%0.0073%0.027CC..  trans-167.2116.3179.6173.60000111.1I35 A39 L87 S88 G93 I94 T95 K387I35-C91 HydrophobicContact CG2-CB 3.47Å; I35-C91 VanDerWaalsContact CG2-CB 3.47Å; A39-C91 HydrophobicContact CB-CB 3.72Å; L87-C91 PolarHBondContact O-N 3.48Å; S88-C91 PolarHBondContact O-N 3.26Å; C91-G93 VanDerWaalsContact C-N 3.29Å; C91-G93 PolarHBondContact O-N 2.93Å; C91-I94 HydrophobicContact CB-CB 4.17Å; C91-I94 HydrophobicContact CB-CD1 3.9Å; C91-I94 HydrophobicContact CB-CG1 4.23Å; C91-I94 PolarHBondContact O-N 3.39Å; C91-I94 VanDerWaalsContact O-N 3.13Å; C91-T95 PolarHBondContact O-N 2.82Å; C91-T95 PolarHBondContact O-OG1 2.89Å; C91-K387 PolarHBondContact SG-NZ 2.91Å
92T95.1Very high91Very high0 Ų05 Ų50%03%0.032CC..Hα-helixtrans-64.8-28.7-177.960.80000114T96 L280 D391 Y395T92-T96 VanDerWaalsContact O-CB 3.27Å; T92-T96 WeakPolarHBondContact O-CB 3.43Å; T92-T96 PolarHBondContact O-N 3.36Å; T92-T96 PolarHBondContact O-OG1 3.07Å; T92-L280 HydrophobicContact CG2-CB 3.8Å; T92-L280 HydrophobicContact CG2-CD1 3.65Å; T92-L280 HydrophobicContact CG2-CG 4.24Å; T92-D391 WeakPolarHBondContact OG1-CB 3.44Å; T92-D391 PolarHBondContact OG1-OD2 3.44Å; T92-D391 VanDerWaalsContact OG1-OD2 3.13Å; T92-Y395 WeakPolarHBondContact CB-OH 3.3Å; T92-Y395 HydrophobicContact CG2-CE2 3.99Å; T92-Y395 WeakPolarHBondContact CG2-OH 3.47Å
93G94.4Very high89.4Confident1 Ų16 Ų61%0.014%0.038CC..Hα-helixtrans-64-42.7173.300000112.9C91 A97 C227C91-G93 VanDerWaalsContact C-N 3.29Å; C91-G93 PolarHBondContact O-N 2.93Å; G93-A97 PolarHBondContact O-N 3.01Å; G93-C227 PolarHBondContact O-SG 3.48Å
94I96.1Very high87.5Confident0 Ų06 Ų60%04%0.038CC..Hα-helixtrans-72-43.2177.1-67.4164.5000109.5I35 A39 Y42 P49 L52 C91 T96 A97 I98 C227I35-I94 HydrophobicContact CD1-CG2 4.15Å; I35-I94 HydrophobicContact CG1-CG2 4.26Å; I35-I94 HydrophobicContact CG2-CB 4.15Å; I35-I94 HydrophobicContact CG2-CD1 3.71Å; I35-I94 HydrophobicContact CG2-CG2 4.2Å; A39-I94 HydrophobicContact CB-CD1 4.21Å; Y42-I94 HydrophobicContact CD2-CD1 3.9Å; Y42-I94 HydrophobicContact CD2-CG1 4.47Å; P49-I94 HydrophobicContact CB-CG1 4.22Å; P49-I94 HydrophobicContact CG-CG1 4.2Å; P49-I94 HydrophobicContact CG-CG2 4.38Å; L52-I94 HydrophobicContact CB-CG2 4.3Å; L52-I94 HydrophobicContact CD1-CD1 3.67Å; L52-I94 HydrophobicContact CD1-CG1 4.32Å; L52-I94 HydrophobicContact CD1-CG2 3.94Å; C91-I94 HydrophobicContact CB-CB 4.17Å; C91-I94 HydrophobicContact CB-CD1 3.9Å; C91-I94 HydrophobicContact CB-CG1 4.23Å; C91-I94 PolarHBondContact O-N 3.39Å; C91-I94 VanDerWaalsContact O-N 3.13Å; I94-T96 VanDerWaalsContact C-N 3.27Å; I94-T96 PolarHBondContact O-N 3.13Å; I94-A97 WeakPolarHBondContact O-CB 3.3Å; I94-A97 PolarHBondContact O-N 3.14Å; I94-A97 VanDerWaalsContact O-N 3.09Å; I94-I98 HydrophobicContact CG2-CD1 3.79Å; I94-I98 HydrophobicContact CG2-CG1 4.43Å; I94-I98 WeakPolarHBondContact O-CG1 3.48Å; I94-I98 PolarHBondContact O-N 3.11Å; I94-C227 PolarHBondContact N-SG 3.46Å
95T93.9Very high85.6Confident4 Ų46.5 Ų6.53%0.0254%0.04CC..Hα-helixtrans-58.7-40174.9-52.10000112.1T84 L87 S88 C91 A97 I98 L99T84-T95 HydrophobicContact CG2-CG2 4.47Å; L87-T95 HydrophobicContact CB-CG2 3.72Å; L87-T95 HydrophobicContact CD1-CG2 4.5Å; L87-T95 PolarHBondContact O-OG1 2.7Å; S88-T95 WeakPolarHBondContact CA-OG1 3.38Å; S88-T95 PolarHBondContact N-OG1 2.67Å; S88-T95 VanDerWaalsContact OG-CG2 3.27Å; S88-T95 WeakPolarHBondContact OG-CG2 3.44Å; C91-T95 PolarHBondContact O-N 2.82Å; C91-T95 PolarHBondContact O-OG1 2.89Å; T95-A97 VanDerWaalsContact C-N 3.35Å; T95-A97 PolarHBondContact O-N 2.54Å; T95-I98 PolarHBondContact O-N 2.7Å; T95-L99 HydrophobicContact CG2-CD1 3.47Å; T95-L99 VanDerWaalsContact CG2-CD1 3.47Å; T95-L99 HydrophobicContact CG2-CG 4.07Å; T95-L99 WeakPolarHBondContact O-CB 3.4Å; T95-L99 WeakPolarHBondContact O-CG 3.26Å; T95-L99 PolarHBondContact O-N 3.26Å
96T91.5Very high83.4Confident17 Ų177.3 Ų7.310%0.1044%0.044CC..Hα-helixtrans-62.1-42.8175.4-60.40000110.8T92 I94 I98 A100 T176 Q225 S228T92-T96 VanDerWaalsContact O-CB 3.27Å; T92-T96 WeakPolarHBondContact O-CB 3.43Å; T92-T96 PolarHBondContact O-N 3.36Å; T92-T96 PolarHBondContact O-OG1 3.07Å; I94-T96 VanDerWaalsContact C-N 3.27Å; I94-T96 PolarHBondContact O-N 3.13Å; T96-I98 VanDerWaalsContact C-N 3.34Å; T96-I98 PolarHBondContact O-N 3.1Å; T96-A100 WeakPolarHBondContact O-CB 3.38Å; T96-A100 PolarHBondContact O-N 2.78Å; T96-T176 HydrophobicContact CG2-CG2 3.92Å; T96-Q225 PolarHBondContact OG1-NE2 2.92Å; T96-Q225 VanDerWaalsContact OG1-NE2 3.16Å; T96-Q225 PolarHBondContact OG1-OE1 3.4Å; T96-S228 WeakPolarHBondContact CG2-OG 3.49Å
97A91.2Very high81Confident0 Ų07.6 Ų7.60%05%0.046CC..Hα-helixtrans-62-39.5174.300000112.7Y48 P49 G93 I94 T95Y48-A97 HydrophobicContact CE2-CB 3.84Å; Y48-A97 PolarHBondContact OH-O 3.03Å; P49-A97 HydrophobicContact CG-CB 3.77Å; G93-A97 PolarHBondContact O-N 3.01Å; I94-A97 WeakPolarHBondContact O-CB 3.3Å; I94-A97 PolarHBondContact O-N 3.14Å; I94-A97 VanDerWaalsContact O-N 3.09Å; T95-A97 VanDerWaalsContact C-N 3.35Å; T95-A97 PolarHBondContact O-N 2.54Å
98I90.4Very high78.5Confident0 Ų07.9 Ų7.90%05%0.048CC..Hα-helixtrans-69.5-44.1179.3-64.8167.2000112.2F30 I35 Y53 A56 A62 L87 I94 T95 T96F30-I98 HydrophobicContact CE1-CD1 4.29Å; I35-I98 HydrophobicContact CD1-CD1 4.44Å; Y53-I98 HydrophobicContact CD2-CB 4.5Å; Y53-I98 HydrophobicContact CD2-CG1 4.25Å; A56-I98 HydrophobicContact CB-CD1 3.73Å; A56-I98 HydrophobicContact CB-CG1 4.07Å; A56-I98 HydrophobicContact CB-CG2 3.93Å; A62-I98 HydrophobicContact CB-CG2 3.98Å; L87-I98 HydrophobicContact CD1-CG2 4.25Å; I94-I98 HydrophobicContact CG2-CD1 3.79Å; I94-I98 HydrophobicContact CG2-CG1 4.43Å; I94-I98 WeakPolarHBondContact O-CG1 3.48Å; I94-I98 PolarHBondContact O-N 3.11Å; T95-I98 PolarHBondContact O-N 2.7Å; T96-I98 VanDerWaalsContact C-N 3.34Å; T96-I98 PolarHBondContact O-N 3.1Å
99L84.4Confident76.1Confident33 Ų338.3 Ų8.317%0.1735%0.05CC..Hα-helixtrans-102.1-13-167.3-60.3-179000114.5T84 L87 T95 N101 G102T84-L99 HydrophobicContact CG2-CD1 3.63Å; T84-L99 WeakPolarHBondContact OG1-CD1 3.31Å; L87-L99 HydrophobicContact CD1-CD1 4.38Å; L87-L99 HydrophobicContact CD1-CD2 4.36Å; L87-L99 HydrophobicContact CD1-CG 4.43Å; T95-L99 HydrophobicContact CG2-CD1 3.47Å; T95-L99 VanDerWaalsContact CG2-CD1 3.47Å; T95-L99 HydrophobicContact CG2-CG 4.07Å; T95-L99 WeakPolarHBondContact O-CB 3.4Å; T95-L99 WeakPolarHBondContact O-CG 3.26Å; T95-L99 PolarHBondContact O-N 3.26Å; L99-N101 PolarHBondContact O-N 2.71Å; L99-G102 WeakPolarHBondContact O-CA 3.27Å; L99-G102 PolarHBondContact O-N 3.48Å
100A77.7Confident73.3Confident11 Ų1110.9 Ų10.99%0.0917%0.069CC..THydrogen-bonded Turntrans-59.9-21.5-178.300000114T96 G102 L103 T176 N177T96-A100 WeakPolarHBondContact O-CB 3.38Å; T96-A100 PolarHBondContact O-N 2.78Å; A100-G102 PolarHBondContact O-N 3Å; A100-G102 VanDerWaalsContact O-N 3.17Å; A100-L103 PolarHBondContact O-N 3.34Å; A100-T176 HydrophobicContact CB-CG2 3.59Å; A100-N177 WeakPolarHBondContact CB-ND2 3.3Å
101N76.9Confident70.6Confident0 Ų011.7 Ų11.70%07%0.072CC..Hα-helixtrans-54.4-32.2168.4-69.2-14.6000112.1Y53 N63 L99 L103 A104 K105 M132 L137 I138 A139Y53-N101 PolarHBondContact OH-ND2 3.42Å; N63-N101 VanDerWaalsContact OD1-CB 3.32Å; N63-N101 WeakPolarHBondContact OD1-CB 3.36Å; N63-N101 PolarHBondContact OD1-ND2 2.87Å; L99-N101 PolarHBondContact O-N 2.71Å; N101-L103 VanDerWaalsContact C-N 3.26Å; N101-L103 PolarHBondContact O-N 3.17Å; N101-A104 PolarHBondContact O-N 3.05Å; N101-K105 WeakPolarHBondContact O-CE 3.42Å; N101-K105 PolarHBondContact O-N 3.32Å; N101-M132 HydrophobicContact CB-CE 3.9Å; N101-M132 WeakPolarHBondContact ND2-CE 3.2Å; N101-L137 PolarHBondContact ND2-O 3.24Å; N101-I138 WeakPolarHBondContact OD1-CA 3.42Å; N101-A139 PolarHBondContact OD1-N 3.49Å; N101-A139 PolarHBondContact OD1-O 3.31Å
102G67.3Low67.6Low12 Ų1216.7 Ų16.712%0.12410%0.095CC..Hα-helixtrans-46.7-45.617600000113.2L99 A100 A104 K105 L106L99-G102 WeakPolarHBondContact O-CA 3.27Å; L99-G102 PolarHBondContact O-N 3.48Å; A100-G102 PolarHBondContact O-N 3Å; A100-G102 VanDerWaalsContact O-N 3.17Å; G102-A104 VanDerWaalsContact C-N 3.34Å; G102-A104 PolarHBondContact O-N 2.91Å; G102-K105 VanDerWaalsContact CA-CE 3.44Å; G102-K105 VanDerWaalsContact N-CE 3.31Å; G102-K105 PolarHBondContact O-N 3.26Å; G102-L106 WeakPolarHBondContact O-CG 3.38Å; G102-L106 PolarHBondContact O-N 3.18Å
103L59.8Low64.5Low23 Ų2323.6 Ų23.612%0.1213%0.127CC..Hα-helixtrans-60.1-44.7-178-57.3178.8000112.2A100 N101 K105 Y141 V269 E399A100-L103 PolarHBondContact O-N 3.34Å; N101-L103 VanDerWaalsContact C-N 3.26Å; N101-L103 PolarHBondContact O-N 3.17Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 2.99Å; L103-Y141 HydrophobicContact CB-CG 4.07Å; L103-Y141 WeakPolarHBondContact O-CD2 3.28Å; L103-V269 HydrophobicContact CD2-CB 4.34Å; L103-V269 HydrophobicContact CD2-CG1 3.29Å; L103-V269 HydrophobicContact CD2-CG2 4.08Å; L103-E399 VanDerWaalsContact CD1-OE1 3.27Å; L103-E399 WeakPolarHBondContact CD1-OE1 3.39Å; L103-E399 WeakPolarHBondContact CD2-OE2 3.4Å
104A52.3Low61.4Low0 Ų024.9 Ų24.90%013%0.134CC..Hα-helixtrans-68.8-27.1179.100000112.1N101 G102 N108 A139 W183N101-A104 PolarHBondContact O-N 3.05Å; G102-A104 VanDerWaalsContact C-N 3.34Å; G102-A104 PolarHBondContact O-N 2.91Å; A104-N108 PolarHBondContact O-ND2 2.72Å; A104-A139 HydrophobicContact CB-CB 3.7Å; A104-W183 HydrophobicContact CB-CH2 3.48Å; A104-W183 VanDerWaalsContact CB-CH2 3.48Å; A104-W183 HydrophobicContact CB-CZ2 4.3Å; A104-W183 HydrophobicContact CB-CZ3 3.67Å
105K53.1Low58.1Low18 Ų1830.5 Ų30.58%0.07817%0.17CC..Hα-helixtrans-84.9-44.9-179.2-67.7171.5-76.1167.40113.3N63 I66 N101 G102 L103 A107 N108 F109 L129N63-K105 VanDerWaalsContact CA-NZ 3.26Å; N63-K105 WeakPolarHBondContact OD1-CE 3.22Å; N63-K105 PolarHBondContact OD1-NZ 3.23Å; I66-K105 HydrophobicContact CD1-CD 3.75Å; I66-K105 HydrophobicContact CG1-CD 3.58Å; N101-K105 WeakPolarHBondContact O-CE 3.42Å; N101-K105 PolarHBondContact O-N 3.32Å; G102-K105 VanDerWaalsContact CA-CE 3.44Å; G102-K105 VanDerWaalsContact N-CE 3.31Å; G102-K105 PolarHBondContact O-N 3.26Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 2.99Å; K105-A107 VanDerWaalsContact C-N 3.28Å; K105-A107 PolarHBondContact O-N 2.67Å; K105-N108 PolarHBondContact O-N 3.12Å; K105-F109 HydrophobicContact CB-CD2 4.44Å; K105-F109 PolarHBondContact O-N 2.66Å; K105-L129 HydrophobicContact CB-CD2 4.37Å; K105-L129 HydrophobicContact CD-CD2 4.13Å; K105-L129 HydrophobicContact CG-CD2 3.76Å
106L48.7Very low55Low19 Ų1936.6 Ų36.610%0.09920%0.202CC..Hα-helixtrans-63.6-35.1-176.9-75.6173.9000111.9E65 G102 N108 S110 V269E65-L106 WeakPolarHBondContact OE2-CD2 3.48Å; G102-L106 WeakPolarHBondContact O-CG 3.38Å; G102-L106 PolarHBondContact O-N 3.18Å; L106-N108 PolarHBondContact O-N 3.35Å; L106-S110 WeakPolarHBondContact CD2-OG 3.29Å; L106-V269 HydrophobicContact CB-CG2 4.12Å; L106-V269 HydrophobicContact CD1-CB 4.36Å; L106-V269 HydrophobicContact CD1-CG2 3.44Å; L106-V269 VanDerWaalsContact CD1-CG2 3.44Å; L106-V269 HydrophobicContact CG-CG2 4.42Å
107A46Very low52.1Low9 Ų937 Ų377%0.07420%0.203CC..THydrogen-bonded Turntrans-64.4-23172.300000112.9K105 Y141 F185 I255 A259K105-A107 VanDerWaalsContact C-N 3.28Å; K105-A107 PolarHBondContact O-N 2.67Å; A107-Y141 HydrophobicContact CB-CD2 4.23Å; A107-Y141 HydrophobicContact CB-CE2 3.48Å; A107-Y141 VanDerWaalsContact CB-CE2 3.48Å; A107-F185 HydrophobicContact CB-CD2 4.15Å; A107-F185 HydrophobicContact CB-CE2 3.83Å; A107-F185 HydrophobicContact CB-CZ 4.12Å; A107-I255 WeakPolarHBondContact O-CG2 3.43Å; A107-A259 HydrophobicContact CB-CB 4.28Å
108N43Very low49.3Very low6 Ų642.9 Ų42.93%0.03223%0.234CC..THydrogen-bonded Turntrans-107.7-32.8-166.4-69.1-9.3000114.1A104 K105 L106 F185 I246A104-N108 PolarHBondContact O-ND2 2.72Å; K105-N108 PolarHBondContact O-N 3.12Å; L106-N108 PolarHBondContact O-N 3.35Å; N108-F185 WeakPolarHBondContact OD1-CD2 3.49Å; N108-F185 VanDerWaalsContact OD1-CE2 3.25Å; N108-F185 WeakPolarHBondContact OD1-CE2 3.19Å; N108-I246 WeakPolarHBondContact OD1-CD1 3.13Å
109F46.2Very low46.9Very low10 Ų1045 Ų454%0.04425%0.249CC..THydrogen-bonded Turntrans-142.2-26.1-152.4-50.8-55.2000117.9K105 M111 K125 L129 W183K105-F109 HydrophobicContact CB-CD2 4.44Å; K105-F109 PolarHBondContact O-N 2.66Å; F109-M111 VanDerWaalsContact C-N 3.29Å; F109-M111 PolarHBondContact O-N 3.3Å; F109-K125 HydrophobicContact CB-CG 4.48Å; F109-K125 HydrophobicContact CD1-CB 4.14Å; F109-K125 HydrophobicContact CD1-CD 4.13Å; F109-K125 HydrophobicContact CD1-CG 3.13Å; F109-K125 HydrophobicContact CE1-CB 4.13Å; F109-K125 HydrophobicContact CE1-CG 3.46Å; F109-K125 VanDerWaalsContact CE1-CG 3.46Å; F109-K125 HydrophobicContact CG-CG 4.06Å; F109-L129 HydrophobicContact CB-CD1 3.72Å; F109-L129 HydrophobicContact CB-CG 4.49Å; F109-L129 HydrophobicContact CD1-CD1 4.25Å; F109-L129 HydrophobicContact CD2-CD1 3.64Å; F109-L129 HydrophobicContact CD2-CD2 3.24Å; F109-L129 HydrophobicContact CD2-CG 3.44Å; F109-L129 VanDerWaalsContact CD2-CG 3.44Å; F109-L129 HydrophobicContact CE2-CD1 4.24Å; F109-L129 HydrophobicContact CE2-CD2 3.49Å; F109-L129 VanDerWaalsContact CE2-CD2 3.49Å; F109-L129 HydrophobicContact CE2-CG 3.59Å; F109-L129 HydrophobicContact CG-CD1 3.6Å; F109-L129 HydrophobicContact CG-CD2 4.12Å; F109-L129 HydrophobicContact CG-CG 3.91Å; F109-L129 HydrophobicContact CZ-CG 4.16Å; F109-W183 HydrophobicContact CE2-CH2 4.41Å
110S37.5Very low45.5Very low61 Ų6143.7 Ų43.743%0.42724%0.243SC..SBendtrans-81.7-0.4-174.462.10000114.8L106 Q112L106-S110 WeakPolarHBondContact CD2-OG 3.29Å; S110-Q112 VanDerWaalsContact C-N 3.35Å; S110-Q112 PolarHBondContact O-N 3.12Å
111M40.2Very low45.1Very low21 Ų2146 Ų4610%0.10325%0.254CS..  trans-92.254.8-179.2-59-146.185.100112.9F109 E113 M114 I117 F266F109-M111 VanDerWaalsContact C-N 3.29Å; F109-M111 PolarHBondContact O-N 3.3Å; M111-E113 PolarHBondContact O-N 3.47Å; M111-M114 HydrophobicContact CB-CB 4.48Å; M111-M114 HydrophobicContact CE-CB 4.42Å; M111-M114 HydrophobicContact CE-CG 3.91Å; M111-I117 HydrophobicContact SD-CD1 4.24Å; M111-F266 HydrophobicContact CE-CB 4.18Å; M111-F266 HydrophobicContact CE-CD2 3.71Å; M111-F266 HydrophobicContact CE-CG 4.44Å
112Q33.2Very low45.3Very low106 Ų10650.9 Ų50.950%0.49528%0.276SS..THydrogen-bonded Turntrans-65.3-23.1171.7-69.5-178.221.100112.2S110S110-Q112 VanDerWaalsContact C-N 3.35Å; S110-Q112 PolarHBondContact O-N 3.12Å
113E31.4Very low46.1Very low144 Ų14455.1 Ų55.167%0.67329%0.292SS*.THydrogen-bonded Turntrans-98.313-176.3-58.4-162.2149.400115.4M111 P115 F266M111-E113 PolarHBondContact O-N 3.47Å; E113-P115 WeakPolarHBondContact O-CD 3.13Å; E113-F266 HydrophobicContact CB-CE2 4.4Å
114M28.5Very low47.4Very low29 Ų2954.1 Ų54.114%0.14329%0.287CS..  trans-96.3115.9165.4-110.5-100.1166.900108.6M111 L116 I117 R264 P265M111-M114 HydrophobicContact CB-CB 4.48Å; M111-M114 HydrophobicContact CE-CB 4.42Å; M111-M114 HydrophobicContact CE-CG 3.91Å; M114-L116 PolarHBondContact O-N 3Å; M114-I117 HydrophobicContact CB-CB 4.47Å; M114-I117 PolarHBondContact O-N 3Å; M114-R264 HydrophobicContact CE-CB 4.01Å; M114-R264 VanDerWaalsContact CE-CD 3.46Å; M114-R264 HydrophobicContact CE-CG 3.56Å; M114-P265 HydrophobicContact CE-CG 4.34Å
115P26.7Very low48.9Very low118 Ų11854.6 Ų54.677%0.76629%0.288SS*.THydrogen-bonded Turntrans-55.3-11.8175.6-2633.4000114.7E113E113-P115 WeakPolarHBondContact O-CD 3.13Å
116L29.1Very low50.4Low132 Ų13261.4 Ų61.469%0.69132%0.318SS*.THydrogen-bonded Turntrans-111.60.1-178.6-86148.2000115M114M114-L116 PolarHBondContact O-N 3Å
117I31.1Very low52.3Low24 Ų2463.3 Ų63.312%0.12333%0.326CS..  trans-13043.1172.3-51.4170000110.5M111 M114 S119 I255M111-I117 HydrophobicContact SD-CD1 4.24Å; M114-I117 HydrophobicContact CB-CB 4.47Å; M114-I117 PolarHBondContact O-N 3Å; I117-S119 PolarHBondContact O-N 3.44Å; I117-I255 HydrophobicContact CD1-CG1 4.49Å
118L31.5Very low54.4Low125 Ų12562.9 Ų62.965%0.65432%0.322SS*.  trans-74.56.9155.4-77.6162.9000112.1
119S41Very low56.4Low44 Ų4462.6 Ų62.631%0.30832%0.321SS..  trans-97.712.7-173.770.50000114.8I117 N121 G247I117-S119 PolarHBondContact O-N 3.44Å; S119-N121 PolarHBondContact O-N 3.22Å; S119-N121 VanDerWaalsContact O-N 3.1Å; S119-G247 VanDerWaalsContact O-CA 3.28Å; S119-G247 WeakPolarHBondContact O-CA 3.27Å; S119-G247 PolarHBondContact O-N 2.74Å; S119-G247 WeakPolarHBondContact OG-CA 3.23Å
120G54.1Low58.4Low5 Ų563.1 Ų63.15%0.05233%0.329CS..SBendtrans-63.6113.7162.600000106.9E122 K125G120-E122 PolarHBondContact O-N 3.19Å; G120-K125 WeakPolarHBondContact O-CE 3.36Å
121N68.7Low61Low60 Ų6063.9 Ų63.932%0.32132%0.322SS..  trans-51.6115.1179.7-175.9-0.1000108.1S119 F123 L124 K125 E243S119-N121 PolarHBondContact O-N 3.22Å; S119-N121 VanDerWaalsContact O-N 3.1Å; N121-F123 CarbonylContact O-C 3.58Å; N121-F123 PolarHBondContact O-N 3.41Å; N121-F123 VanDerWaalsContact OD1-CB 3.25Å; N121-F123 WeakPolarHBondContact OD1-CB 3.41Å; N121-F123 PolarHBondContact OD1-N 2.87Å; N121-L124 HydrophobicContact CB-CB 4.23Å; N121-L124 HydrophobicContact CB-CD1 4.06Å; N121-L124 HydrophobicContact CB-CG 3.93Å; N121-L124 WeakPolarHBondContact O-CA 3.1Å; N121-L124 WeakPolarHBondContact O-CB 3.45Å; N121-L124 PolarHBondContact O-N 3.21Å; N121-K125 PolarHBondContact O-N 3Å; N121-K125 VanDerWaalsContact O-N 3.07Å; N121-E243 PolarHBondContact ND2-O 3.32Å
122E82.1Confident63.3Low102 Ų10262.9 Ų62.948%0.47732%0.317SS..Hα-helixtrans-52.8-30.6-179.3-79.4-57.4132.300111.4Y70 G120 K125 K126Y70-E122 PolarHBondContact OH-OE1 3.48Å; Y70-E122 PolarHBondContact OH-OE2 3.13Å; G120-E122 PolarHBondContact O-N 3.19Å; E122-K125 PolarHBondContact O-N 2.86Å; E122-K125 WeakPolarHBondContact OE1-CD 3.32Å; E122-K125 IonicContact OE1-NZ 2.86Å; E122-K125 PolarHBondContact OE1-NZ 3.49Å; E122-K126 WeakPolarHBondContact O-CB 3.34Å; E122-K126 PolarHBondContact O-N 3.2Å
123F84.2Confident66Low102 Ų10259.4 Ų59.445%0.44730%0.304SS..Hα-helixtrans-57.2-48.3169.6173.2-99.1000113.1N121 K127 E243N121-F123 CarbonylContact O-C 3.58Å; N121-F123 PolarHBondContact O-N 3.41Å; N121-F123 VanDerWaalsContact OD1-CB 3.25Å; N121-F123 WeakPolarHBondContact OD1-CB 3.41Å; N121-F123 PolarHBondContact OD1-N 2.87Å; F123-K127 HydrophobicContact CE1-CD 4.19Å; F123-K127 HydrophobicContact CZ-CD 4.15Å; F123-K127 WeakPolarHBondContact O-CB 3.44Å; F123-K127 PolarHBondContact O-N 2.84Å; F123-E243 HydrophobicContact CD1-CB 4.49Å; F123-E243 HydrophobicContact CE1-CB 4.37Å; F123-E243 HydrophobicContact CE1-CG 4.04Å
124L86.3Confident68.9Low2 Ų256 Ų561%0.0130%0.3CS..Hα-helixtrans-67.6-40.6178.6-68-179.9000112N121 K127 Y128 V206 E243 L245 I246N121-L124 HydrophobicContact CB-CB 4.23Å; N121-L124 HydrophobicContact CB-CD1 4.06Å; N121-L124 HydrophobicContact CB-CG 3.93Å; N121-L124 WeakPolarHBondContact O-CA 3.1Å; N121-L124 WeakPolarHBondContact O-CB 3.45Å; N121-L124 PolarHBondContact O-N 3.21Å; L124-K127 PolarHBondContact O-N 3.12Å; L124-Y128 HydrophobicContact CB-CD2 4.34Å; L124-Y128 HydrophobicContact CD2-CD2 3.86Å; L124-Y128 HydrophobicContact CD2-CE2 3.56Å; L124-Y128 WeakPolarHBondContact O-CB 3.4Å; L124-Y128 WeakPolarHBondContact O-CD2 3.36Å; L124-Y128 PolarHBondContact O-N 3.34Å; L124-V206 HydrophobicContact CD1-CG2 4.48Å; L124-E243 WeakPolarHBondContact CD1-O 3.45Å; L124-E243 WeakPolarHBondContact CD2-O 3.31Å; L124-E243 WeakPolarHBondContact CG-O 3.34Å; L124-L245 VanDerWaalsContact CD1-O 3.27Å; L124-L245 WeakPolarHBondContact CD1-O 2.87Å; L124-I246 HydrophobicContact CD1-CG1 4.39Å
125K83.6Confident72Confident9 Ų960.1 Ų60.14%0.03932%0.319CS..Iπ-helixtrans-56.5-57.8174.1-77.2176.1-163.71740110.4Y70 F109 G120 N121 E122 K127 Y128 L129Y70-K125 HydrophobicContact CD1-CB 4.2Å; Y70-K125 HydrophobicContact CE1-CB 3.57Å; Y70-K125 HydrophobicContact CE1-CD 4.48Å; Y70-K125 HydrophobicContact CE2-CB 4.15Å; Y70-K125 HydrophobicContact CE2-CD 4.1Å; Y70-K125 HydrophobicContact CE2-CG 4.45Å; Y70-K125 WeakPolarHBondContact OH-CD 3.34Å; F109-K125 HydrophobicContact CB-CG 4.48Å; F109-K125 HydrophobicContact CD1-CB 4.14Å; F109-K125 HydrophobicContact CD1-CD 4.13Å; F109-K125 HydrophobicContact CD1-CG 3.13Å; F109-K125 HydrophobicContact CE1-CB 4.13Å; F109-K125 HydrophobicContact CE1-CG 3.46Å; F109-K125 VanDerWaalsContact CE1-CG 3.46Å; F109-K125 HydrophobicContact CG-CG 4.06Å; G120-K125 WeakPolarHBondContact O-CE 3.36Å; N121-K125 PolarHBondContact O-N 3Å; N121-K125 VanDerWaalsContact O-N 3.07Å; E122-K125 PolarHBondContact O-N 2.86Å; E122-K125 WeakPolarHBondContact OE1-CD 3.32Å; E122-K125 IonicContact OE1-NZ 2.86Å; E122-K125 PolarHBondContact OE1-NZ 3.49Å; K125-K127 VanDerWaalsContact C-N 3.32Å; K125-K127 PolarHBondContact O-N 3.47Å; K125-Y128 PolarHBondContact O-N 2.88Å; K125-L129 HydrophobicContact CB-CD1 4.46Å; K125-L129 WeakPolarHBondContact O-CA 3.32Å; K125-L129 WeakPolarHBondContact O-CB 3.1Å; K125-L129 PolarHBondContact O-N 3.09Å
126K86.2Confident75.2Confident162 Ų16256 Ų5670%0.70429%0.293SS*.Iπ-helixtrans-58.9-42.5-179.3-171.8172.8-178.1174.30112.3Y70 E122 G130Y70-K126 HydrophobicContact CD1-CB 4.45Å; E122-K126 WeakPolarHBondContact O-CB 3.34Å; E122-K126 PolarHBondContact O-N 3.2Å; K126-G130 WeakPolarHBondContact O-CA 3.27Å; K126-G130 PolarHBondContact O-N 3.39Å
127K88.4Confident78.3Confident58 Ų5851.4 Ų51.425%0.25227%0.268SS..Iπ-helixtrans-67.2-55.2179.7-178.9-179.5174.5-164.20112.1F123 L124 K125 R131 D208F123-K127 HydrophobicContact CE1-CD 4.19Å; F123-K127 HydrophobicContact CZ-CD 4.15Å; F123-K127 WeakPolarHBondContact O-CB 3.44Å; F123-K127 PolarHBondContact O-N 2.84Å; L124-K127 PolarHBondContact O-N 3.12Å; K125-K127 VanDerWaalsContact C-N 3.32Å; K125-K127 PolarHBondContact O-N 3.47Å; K127-R131 VanDerWaalsContact O-CG 3.25Å; K127-R131 WeakPolarHBondContact O-CG 3.49Å; K127-R131 PolarHBondContact O-N 2.78Å; K127-D208 IonicContact NZ-OD2 2.82Å
128Y88.7Confident81.2Confident0 Ų050.3 Ų50.30%026%0.263CS..Iπ-helixtrans-88.7-35.3-168.6-71.6-78.1000113.4L124 K125 M132 W183 V206 D208 N244L124-Y128 HydrophobicContact CB-CD2 4.34Å; L124-Y128 HydrophobicContact CD2-CD2 3.86Å; L124-Y128 HydrophobicContact CD2-CE2 3.56Å; L124-Y128 WeakPolarHBondContact O-CB 3.4Å; L124-Y128 WeakPolarHBondContact O-CD2 3.36Å; L124-Y128 PolarHBondContact O-N 3.34Å; K125-Y128 PolarHBondContact O-N 2.88Å; Y128-M132 VanDerWaalsContact O-CG 3.32Å; Y128-M132 WeakPolarHBondContact O-CG 3.34Å; Y128-W183 HydrophobicContact CD1-CB 3.85Å; Y128-W183 AromaticContact CD1-CD1 3.75Å; Y128-W183 AromaticContact CD1-CD2 3.95Å; Y128-W183 HydrophobicContact CD1-CD2 3.95Å; Y128-W183 AromaticContact CD1-CG 3.56Å; Y128-W183 HydrophobicContact CD1-CG 3.56Å; Y128-W183 HydrophobicContact CE1-CB 3.75Å; Y128-W183 HydrophobicContact CE1-CG 4.02Å; Y128-V206 HydrophobicContact CD1-CG1 3.79Å; Y128-V206 HydrophobicContact CD2-CB 4.44Å; Y128-V206 HydrophobicContact CD2-CG1 3.91Å; Y128-V206 HydrophobicContact CD2-CG2 4.5Å; Y128-V206 HydrophobicContact CE1-CG1 3.52Å; Y128-V206 HydrophobicContact CE2-CB 4.1Å; Y128-V206 HydrophobicContact CE2-CG1 3.64Å; Y128-V206 HydrophobicContact CG-CG1 3.98Å; Y128-V206 VanDerWaalsContact CZ-CG1 3.45Å; Y128-D208 WeakPolarHBondContact CE1-OD1 3.49Å; Y128-D208 PolarHBondContact OH-OD1 2.91Å; Y128-D208 PolarHBondContact OH-OD2 3.07Å; Y128-D208 VanDerWaalsContact OH-OD2 3.05Å; Y128-N244 PolarHBondContact OH-ND2 3.48Å
129L85.8Confident84Confident1 Ų144.4 Ų44.41%0.00523%0.232CC..Iπ-helixtrans-71.3-41.6171.4-66.4179.7000111.5I66 Y70 K105 F109 K125 R131 M132 T133I66-L129 HydrophobicContact CD1-CD2 4.12Å; I66-L129 HydrophobicContact CG1-CD2 4.12Å; I66-L129 HydrophobicContact CG2-CB 4.24Å; I66-L129 HydrophobicContact CG2-CD1 4.4Å; Y70-L129 HydrophobicContact CD2-CD1 3.46Å; Y70-L129 VanDerWaalsContact CD2-CD1 3.46Å; Y70-L129 HydrophobicContact CE2-CD1 4.01Å; Y70-L129 HydrophobicContact CG-CB 4.15Å; Y70-L129 HydrophobicContact CG-CD1 3.88Å; K105-L129 HydrophobicContact CB-CD2 4.37Å; K105-L129 HydrophobicContact CD-CD2 4.13Å; K105-L129 HydrophobicContact CG-CD2 3.76Å; F109-L129 HydrophobicContact CB-CD1 3.72Å; F109-L129 HydrophobicContact CB-CG 4.49Å; F109-L129 HydrophobicContact CD1-CD1 4.25Å; F109-L129 HydrophobicContact CD2-CD1 3.64Å; F109-L129 HydrophobicContact CD2-CD2 3.24Å; F109-L129 HydrophobicContact CD2-CG 3.44Å; F109-L129 VanDerWaalsContact CD2-CG 3.44Å; F109-L129 HydrophobicContact CE2-CD1 4.24Å; F109-L129 HydrophobicContact CE2-CD2 3.49Å; F109-L129 VanDerWaalsContact CE2-CD2 3.49Å; F109-L129 HydrophobicContact CE2-CG 3.59Å; F109-L129 HydrophobicContact CG-CD1 3.6Å; F109-L129 HydrophobicContact CG-CD2 4.12Å; F109-L129 HydrophobicContact CG-CG 3.91Å; F109-L129 HydrophobicContact CZ-CG 4.16Å; K125-L129 HydrophobicContact CB-CD1 4.46Å; K125-L129 WeakPolarHBondContact O-CA 3.32Å; K125-L129 WeakPolarHBondContact O-CB 3.1Å; K125-L129 PolarHBondContact O-N 3.09Å; L129-R131 PolarHBondContact O-N 2.77Å; L129-M132 WeakPolarHBondContact O-CB 3.43Å; L129-M132 PolarHBondContact O-N 2.98Å; L129-T133 PolarHBondContact O-N 3.45Å; L129-T133 PolarHBondContact O-OG1 2.92Å
130G88.7Confident86.3Confident21 Ų2142.4 Ų42.422%0.21622%0.218CC..Hα-helixtrans-58.8-34.3177.100000112.9K126 M132 T133 A134K126-G130 WeakPolarHBondContact O-CA 3.27Å; K126-G130 PolarHBondContact O-N 3.39Å; G130-M132 VanDerWaalsContact C-N 3.33Å; G130-M132 PolarHBondContact O-N 3.42Å; G130-T133 WeakPolarHBondContact CA-OG1 3.47Å; G130-T133 PolarHBondContact O-N 3.42Å; G130-T133 PolarHBondContact O-OG1 2.8Å; G130-T133 VanDerWaalsContact O-OG1 3.08Å; G130-A134 WeakPolarHBondContact O-CB 3.22Å; G130-A134 PolarHBondContact O-N 3.01Å
131R90.4Very high88Confident76 Ų7643.1 Ų43.129%0.28722%0.219SC..Hα-helixtrans-59.7-41.6171.1-81.6175.2-174.3-172.14.4112.7K127 L129 T133 A134 E135 L137 N182 D208K127-R131 VanDerWaalsContact O-CG 3.25Å; K127-R131 WeakPolarHBondContact O-CG 3.49Å; K127-R131 PolarHBondContact O-N 2.78Å; L129-R131 PolarHBondContact O-N 2.77Å; R131-T133 VanDerWaalsContact C-N 3.28Å; R131-T133 PolarHBondContact O-N 3.16Å; R131-A134 PolarHBondContact O-N 3.46Å; R131-E135 PolarHBondContact O-N 3.38Å; R131-L137 HydrophobicContact CB-CD1 3.93Å; R131-L137 HydrophobicContact CG-CD1 4.43Å; R131-N182 PolarHBondContact NH1-OD1 3.19Å; R131-D208 IonicContact CZ-OD1 2.78Å; R131-D208 IonicContact NH1-OD1 3.7Å; R131-D208 PolarHBondContact NH1-OD1 2.77Å; R131-D208 IonicContact NH2-OD1 3.69Å
132M88.9Confident89.1Confident0 Ų040.2 Ų40.20%020%0.204CC..Hα-helixtrans-74.3-20.3-175.6-56.2-58.8-68.500113.3W57 N63 I66 N101 Y128 L129 G130 L137 A139 W183W57-M132 PolarHBondContact NE1-O 2.88Å; N63-M132 PolarHBondContact ND2-O 2.96Å; I66-M132 HydrophobicContact CD1-CB 3.83Å; N101-M132 HydrophobicContact CB-CE 3.9Å; N101-M132 WeakPolarHBondContact ND2-CE 3.2Å; Y128-M132 VanDerWaalsContact O-CG 3.32Å; Y128-M132 WeakPolarHBondContact O-CG 3.34Å; L129-M132 WeakPolarHBondContact O-CB 3.43Å; L129-M132 PolarHBondContact O-N 2.98Å; G130-M132 VanDerWaalsContact C-N 3.33Å; G130-M132 PolarHBondContact O-N 3.42Å; M132-L137 WeakPolarHBondContact CE-O 3.48Å; M132-L137 HydrophobicContact SD-CB 4.02Å; M132-A139 HydrophobicContact CE-CB 3.96Å; M132-A139 HydrophobicContact SD-CB 4.28Å; M132-W183 HydrophobicContact CG-CZ2 4.33Å; M132-W183 HydrophobicContact SD-CZ2 4.42Å; M132-W183 PolarHBondContact SD-NE1 3.13Å
133T89.7Confident89.5Confident34 Ų3435.6 Ų35.621%0.20918%0.182CC..Hα-helixtrans-99.3-20.9177.1540000112.5W57 I66 Y70 G71 L129 G130 R131W57-T133 VanDerWaalsContact CZ2-O 3.28Å; W57-T133 WeakPolarHBondContact CZ2-O 3.49Å; I66-T133 HydrophobicContact CB-CG2 4.23Å; I66-T133 HydrophobicContact CD1-CG2 3.61Å; I66-T133 HydrophobicContact CG2-CG2 3.79Å; Y70-T133 WeakPolarHBondContact O-CG2 3.37Å; Y70-T133 PolarHBondContact O-OG1 3.47Å; G71-T133 WeakPolarHBondContact O-CB 3.45Å; G71-T133 WeakPolarHBondContact O-CG2 3.46Å; L129-T133 PolarHBondContact O-N 3.45Å; L129-T133 PolarHBondContact O-OG1 2.92Å; G130-T133 WeakPolarHBondContact CA-OG1 3.47Å; G130-T133 PolarHBondContact O-N 3.42Å; G130-T133 PolarHBondContact O-OG1 2.8Å; G130-T133 VanDerWaalsContact O-OG1 3.08Å; R131-T133 VanDerWaalsContact C-N 3.28Å; R131-T133 PolarHBondContact O-N 3.16Å
134A93.1Very high89.9Confident72 Ų7232.9 Ų32.960%0.59517%0.174SC*.Hα-helixtrans-80.6-36.6174.700000113G130 R131G130-A134 WeakPolarHBondContact O-CB 3.22Å; G130-A134 PolarHBondContact O-N 3.01Å; R131-A134 PolarHBondContact O-N 3.46Å
135E94.6Very high90.3Very high115 Ų11533.4 Ų33.454%0.53718%0.177SC..SBendtrans-141.1155.6-177.2-71-178.4173.600110.7W57 R131 L137W57-E135 PolarHBondContact NE1-O 2.98Å; R131-E135 PolarHBondContact O-N 3.38Å; E135-L137 HydrophobicContact CB-CD1 4.16Å; E135-L137 HydrophobicContact CB-CD2 4.5Å; E135-L137 HydrophobicContact CB-CG 3.84Å; E135-L137 PolarHBondContact O-N 3.01Å
136P93.3Very high90.8Very high33 Ų3336.7 Ų36.721%0.21420%0.199CC..  trans-73.167.5173.931.9-36.2000110.5Y53 K54 W57Y53-P136 HydrophobicContact CD1-CB 4.14Å; Y53-P136 HydrophobicContact CE1-CB 3.7Å; Y53-P136 WeakPolarHBondContact CE1-O 3.24Å; K54-P136 HydrophobicContact CG-CB 4.14Å; K54-P136 HydrophobicContact CG-CG 4Å; W57-P136 HydrophobicContact CB-CB 4.12Å; W57-P136 HydrophobicContact CD2-CB 3.95Å; W57-P136 HydrophobicContact CE3-CB 4.35Å; W57-P136 HydrophobicContact CG-CB 3.83Å
137L93.1Very high91Very high34 Ų3432.6 Ų32.618%0.17820%0.202CC..  trans-91.8162.4177-64.9174.9000111.1Y53 N101 R131 M132 E135 N182Y53-L137 PolarHBondContact OH-O 3.43Å; N101-L137 PolarHBondContact ND2-O 3.24Å; R131-L137 HydrophobicContact CB-CD1 3.93Å; R131-L137 HydrophobicContact CG-CD1 4.43Å; M132-L137 WeakPolarHBondContact CE-O 3.48Å; M132-L137 HydrophobicContact SD-CB 4.02Å; E135-L137 HydrophobicContact CB-CD1 4.16Å; E135-L137 HydrophobicContact CB-CD2 4.5Å; E135-L137 HydrophobicContact CB-CG 3.84Å; E135-L137 PolarHBondContact O-N 3.01Å; L137-N182 HydrophobicContact CB-CB 4.18Å; L137-N182 HydrophobicContact CD1-CB 4.49Å; L137-N182 HydrophobicContact CD2-CB 4.38Å
138I92.7Very high91Very high2 Ų230.5 Ų30.51%0.0119%0.194CC..  trans-115.3143.5-176-62-59.8000109.8Y48 W50 Y53 N101 N177 A181 N182Y48-I138 HydrophobicContact CE1-CD1 4.4Å; Y48-I138 VanDerWaalsContact OH-CD1 3.25Å; Y48-I138 WeakPolarHBondContact OH-CD1 3.42Å; W50-I138 HydrophobicContact CH2-CG1 3.64Å; W50-I138 HydrophobicContact CZ2-CG1 4.37Å; W50-I138 HydrophobicContact CZ3-CG1 4.1Å; Y53-I138 HydrophobicContact CD1-CD1 3.99Å; Y53-I138 HydrophobicContact CD2-CD1 4.01Å; Y53-I138 HydrophobicContact CE1-CD1 3.52Å; Y53-I138 HydrophobicContact CE1-CG1 4.41Å; Y53-I138 HydrophobicContact CE2-CD1 3.58Å; Y53-I138 HydrophobicContact CG-CD1 4.22Å; N101-I138 WeakPolarHBondContact OD1-CA 3.42Å; I138-N177 HydrophobicContact CG2-CB 3.38Å; I138-N177 WeakPolarHBondContact CG2-ND2 3.44Å; I138-A181 CarbonylContact O-C 3.52Å; I138-A181 WeakPolarHBondContact O-CA 3.37Å; I138-N182 WeakPolarHBondContact O-CB 3.48Å; I138-N182 PolarHBondContact O-N 3.37Å
139A90.1Very high90.8Very high0 Ų032.3 Ų32.30%021%0.213CC..EExtended strand (participates in β ladder)trans-124.3153.4172.900000110N101 A104 M132 W183N101-A139 PolarHBondContact OD1-N 3.49Å; N101-A139 PolarHBondContact OD1-O 3.31Å; A104-A139 HydrophobicContact CB-CB 3.7Å; M132-A139 HydrophobicContact CE-CB 3.96Å; M132-A139 HydrophobicContact SD-CB 4.28Å; A139-W183 WeakPolarHBondContact CA-O 3.48Å; A139-W183 HydrophobicContact CB-CD2 3.89Å; A139-W183 HydrophobicContact CB-CE3 4.29Å; A139-W183 HydrophobicContact CB-CH2 3.87Å; A139-W183 HydrophobicContact CB-CZ2 3.39Å; A139-W183 HydrophobicContact CB-CZ3 4.28Å
140A90.6Very high90.8Very high2 Ų235.9 Ų35.92%0.01724%0.238CC..EExtended strand (participates in β ladder)trans-131154.1177.100000112.3I175 T176 N177 A181 W183 F184 F185A140-I175 HydrophobicContact CB-CG2 3.79Å; A140-T176 VanDerWaalsContact CB-O 3.26Å; A140-T176 WeakPolarHBondContact CB-O 3.35Å; A140-N177 HydrophobicContact CB-CB 4.29Å; A140-A181 HydrophobicContact CB-CB 3.58Å; A140-W183 PolarHBondContact N-O 2.9Å; A140-W183 VanDerWaalsContact N-O 3.1Å; A140-F184 HydrophobicContact CB-CD1 3.59Å; A140-F184 HydrophobicContact CB-CE1 3.74Å; A140-F184 WeakPolarHBondContact O-CA 3.38Å; A140-F185 PolarHBondContact O-N 3.31Å
141Y88.8Confident90.7Very high20 Ų2039.7 Ų39.78%0.07825%0.254CS..EExtended strand (participates in β ladder)trans-118.1106.9-172.5-175.7-90.5000111.2L103 A107 V143 F185 A256 F260L103-Y141 HydrophobicContact CB-CG 4.07Å; L103-Y141 WeakPolarHBondContact O-CD2 3.28Å; A107-Y141 HydrophobicContact CB-CD2 4.23Å; A107-Y141 HydrophobicContact CB-CE2 3.48Å; A107-Y141 VanDerWaalsContact CB-CE2 3.48Å; Y141-V143 HydrophobicContact CD1-CB 4.45Å; Y141-V143 HydrophobicContact CD1-CG2 4.1Å; Y141-V143 HydrophobicContact CE1-CB 3.72Å; Y141-V143 HydrophobicContact CE1-CG2 3.13Å; Y141-V143 HydrophobicContact CE2-CG2 4.42Å; Y141-V143 VanDerWaalsContact OH-CG2 3.28Å; Y141-V143 WeakPolarHBondContact OH-CG2 3.43Å; Y141-F185 HydrophobicContact CD2-CB 3.84Å; Y141-F185 AromaticContact CD2-CD1 3.35Å; Y141-F185 HydrophobicContact CD2-CD1 3.35Å; Y141-F185 HydrophobicContact CD2-CE1 4.02Å; Y141-F185 AromaticContact CD2-CG 3.67Å; Y141-F185 HydrophobicContact CD2-CG 3.67Å; Y141-F185 HydrophobicContact CE1-CD1 4.46Å; Y141-F185 HydrophobicContact CE2-CB 4.34Å; Y141-F185 AromaticContact CE2-CD1 3.07Å; Y141-F185 HydrophobicContact CE2-CD1 3.07Å; Y141-F185 HydrophobicContact CE2-CD2 4.28Å; Y141-F185 AromaticContact CE2-CE1 3.24Å; Y141-F185 HydrophobicContact CE2-CE1 3.24Å; Y141-F185 HydrophobicContact CE2-CE2 4.36Å; Y141-F185 AromaticContact CE2-CG 3.65Å; Y141-F185 HydrophobicContact CE2-CG 3.65Å; Y141-F185 AromaticContact CE2-CZ 3.9Å; Y141-F185 HydrophobicContact CE2-CZ 3.9Å; Y141-F185 HydrophobicContact CG-CD1 4.21Å; Y141-F185 AromaticContact CZ-CD1 3.73Å; Y141-F185 AromaticContact CZ-CE1 3.55Å; Y141-A256 VanDerWaalsContact OH-CA 3.3Å; Y141-A256 WeakPolarHBondContact OH-CA 3.29Å; Y141-A256 WeakPolarHBondContact OH-CB 3.31Å; Y141-A256 PolarHBondContact OH-O 3.08Å; Y141-F260 HydrophobicContact CD1-CE2 4.22Å; Y141-F260 AromaticContact CD1-CZ 3.9Å; Y141-F260 HydrophobicContact CD1-CZ 3.9Å; Y141-F260 HydrophobicContact CE1-CD2 4.48Å; Y141-F260 AromaticContact CE1-CE2 3.2Å; Y141-F260 HydrophobicContact CE1-CE2 3.2Å; Y141-F260 AromaticContact CE1-CZ 3.32Å; Y141-F260 HydrophobicContact CE1-CZ 3.32Å; Y141-F260 AromaticContact CZ-CE2 3.54Å; Y141-F260 AromaticContact CZ-CZ 3.97Å; Y141-F260 VanDerWaalsContact OH-CE2 3.29Å; Y141-F260 WeakPolarHBondContact OH-CE2 3.29Å
142C92.2Very high90.5Very high0 Ų037 Ų370%025%0.245CC..EExtended strand (participates in β ladder)trans-104.888.5-169.5-62.80000113.2K172 I175 F184 F185 V186 L187C142-K172 HydrophobicContact CB-CB 4.27Å; C142-K172 HydrophobicContact CB-CD 4.23Å; C142-K172 HydrophobicContact CB-CG 3.89Å; C142-K172 WeakPolarHBondContact O-CE 3.25Å; C142-I175 HydrophobicContact CB-CD1 4.28Å; C142-I175 VanDerWaalsContact SG-CG2 3.58Å; C142-F184 WeakPolarHBondContact SG-CD1 3.34Å; C142-F185 WeakPolarHBondContact CA-O 3.47Å; C142-F185 WeakPolarHBondContact CB-O 3.45Å; C142-F185 PolarHBondContact N-O 2.96Å; C142-V186 HydrophobicContact CB-CB 4.39Å; C142-V186 HydrophobicContact CB-CG1 4.27Å; C142-V186 HydrophobicContact CB-CG2 4.12Å; C142-L187 PolarHBondContact O-N 2.91Å
143V90Very high90.5Very high4 Ų438.5 Ų38.52%0.02426%0.258CS..  trans-113.9-58.2173.1167.40000112Y141 V152 K172 F185 L187 A256Y141-V143 HydrophobicContact CD1-CB 4.45Å; Y141-V143 HydrophobicContact CD1-CG2 4.1Å; Y141-V143 HydrophobicContact CE1-CB 3.72Å; Y141-V143 HydrophobicContact CE1-CG2 3.13Å; Y141-V143 HydrophobicContact CE2-CG2 4.42Å; Y141-V143 VanDerWaalsContact OH-CG2 3.28Å; Y141-V143 WeakPolarHBondContact OH-CG2 3.43Å; V143-V152 HydrophobicContact CG1-CB 4.44Å; V143-V152 HydrophobicContact CG1-CG1 3.6Å; V143-V152 HydrophobicContact CG1-CG2 3.96Å; V143-K172 PolarHBondContact O-NZ 3.4Å; V143-F185 HydrophobicContact CG2-CE1 4.06Å; V143-L187 HydrophobicContact CG1-CD2 4.18Å; V143-L187 HydrophobicContact CG2-CB 3.77Å; V143-L187 HydrophobicContact CG2-CD2 4.17Å; V143-A256 HydrophobicContact CG2-CB 4.28Å
144T92Very high90.5Very high45 Ų4538.5 Ų38.528%0.27626%0.262SS..  trans-59.9140.9-174-55.40000112.2T148 K172 M173T144-T148 WeakPolarHBondContact CG2-O 3.31Å; T144-K172 CarbonylContact O-C 3.52Å; T144-K172 VanDerWaalsContact O-CA 3.31Å; T144-K172 WeakPolarHBondContact O-CA 3.45Å; T144-K172 WeakPolarHBondContact O-CD 3.35Å; T144-M173 WeakPolarHBondContact CB-O 3.4Å; T144-M173 PolarHBondContact O-N 3.38Å
145E95.7Very high90.4Very high14 Ų1435.1 Ų35.17%0.06523%0.234CC..BIsolated β-bridgetrans-123.8160.7178.8-63.1-174.9179.500110G147 T148 V155 K156 T157 Q171 K172E145-G147 PolarHBondContact O-N 3.37Å; E145-G147 VanDerWaalsContact O-N 3.09Å; E145-T148 PolarHBondContact N-O 2.69Å; E145-T148 CarbonylContact O-C 3.56Å; E145-T148 PolarHBondContact O-N 3.26Å; E145-T148 VanDerWaalsContact O-O 3.09Å; E145-V155 HydrophobicContact CG-CG2 4.37Å; E145-V155 WeakPolarHBondContact OE1-CG1 3.26Å; E145-K156 PolarHBondContact OE1-N 3.44Å; E145-K156 PolarHBondContact OE2-N 2.73Å; E145-T157 VanDerWaalsContact OE1-CB 3.27Å; E145-T157 WeakPolarHBondContact OE1-CB 3.42Å; E145-T157 PolarHBondContact OE1-N 3.49Å; E145-T157 PolarHBondContact OE1-OG1 3.5Å; E145-Q171 WeakPolarHBondContact CG-O 3.33Å; E145-K172 HydrophobicContact CG-CD 3.95Å; E145-K172 IonicContact OE1-NZ 2.71Å; E145-K172 PolarHBondContact OE1-NZ 3.43Å
146P93.6Very high90.4Very high78 Ų7837.3 Ų37.351%0.50624%0.241SC..THydrogen-bonded Turntrans-53-34179.7-27.734.7000114.6Q171 M173P146-Q171 HydrophobicContact CG-CG 4.1Å; P146-M173 HydrophobicContact CG-CB 4.04Å
147G90.2Very high90.5Very high75 Ų7535.9 Ų35.977%0.77323%0.232SC*.THydrogen-bonded Turntrans-96.3-3.7178.500000115.1E145E145-G147 PolarHBondContact O-N 3.37Å; E145-G147 VanDerWaalsContact O-N 3.09Å
148T87.8Confident90.7Very high14 Ų1440.5 Ų40.59%0.08625%0.25CS..BIsolated β-bridgetrans-147110-164.8-55.10000112.1T144 E145 D151 A154 V155T144-T148 WeakPolarHBondContact CG2-O 3.31Å; E145-T148 PolarHBondContact N-O 2.69Å; E145-T148 CarbonylContact O-C 3.56Å; E145-T148 PolarHBondContact O-N 3.26Å; E145-T148 VanDerWaalsContact O-O 3.09Å; T148-D151 WeakPolarHBondContact CG2-O 3.3Å; T148-A154 HydrophobicContact CG2-CB 3.92Å; T148-A154 PolarHBondContact OG1-O 2.82Å; T148-V155 HydrophobicContact CG2-CG2 4.26Å
149G85.5Confident90.9Very high39 Ų3940.5 Ų40.540%0.40225%0.251SS..SBendtrans-112.3-87.2172.700000112.4D151 V152G149-D151 VanDerWaalsContact C-N 3.29Å; G149-D151 PolarHBondContact O-N 2.92Å; G149-V152 WeakPolarHBondContact O-CG2 3.25Å
150S85.2Confident91.2Very high75 Ų7544.6 Ų44.652%0.52428%0.276SS..SBendtrans-64.9-29.1-178.3-55.10000114.1V152S150-V152 VanDerWaalsContact C-N 3.32Å; S150-V152 PolarHBondContact O-N 2.96Å
151D88.2Confident91.4Very high102 Ų10250.8 Ų50.855%0.54530%0.302SS..  trans-88.963176.9-173.315.1000111.5T148 G149 A153 A154T148-D151 WeakPolarHBondContact CG2-O 3.3Å; G149-D151 VanDerWaalsContact C-N 3.29Å; G149-D151 PolarHBondContact O-N 2.92Å; D151-A153 PolarHBondContact O-N 3.28Å; D151-A154 HydrophobicContact CB-CB 4.43Å; D151-A154 WeakPolarHBondContact O-CB 3.5Å; D151-A154 PolarHBondContact O-N 2.96Å; D151-A154 WeakPolarHBondContact OD2-CB 3.1Å
152V85.9Confident91.5Very high18 Ų1857.2 Ų57.211%0.10933%0.33CS..G310 helixtrans-54.6-22.7-176.7179.90000112.9V143 G149 S150 A154 V155 L187 F253 M257V143-V152 HydrophobicContact CG1-CB 4.44Å; V143-V152 HydrophobicContact CG1-CG1 3.6Å; V143-V152 HydrophobicContact CG1-CG2 3.96Å; G149-V152 WeakPolarHBondContact O-CG2 3.25Å; S150-V152 VanDerWaalsContact C-N 3.32Å; S150-V152 PolarHBondContact O-N 2.96Å; V152-A154 PolarHBondContact O-N 2.87Å; V152-V155 HydrophobicContact CG1-CG2 4.26Å; V152-V155 WeakPolarHBondContact O-CB 3.26Å; V152-V155 VanDerWaalsContact O-CG2 3.23Å; V152-V155 WeakPolarHBondContact O-CG2 3.36Å; V152-V155 PolarHBondContact O-N 3.13Å; V152-L187 HydrophobicContact CG1-CD2 3.54Å; V152-F253 HydrophobicContact CB-CE2 4.28Å; V152-F253 HydrophobicContact CG1-CE2 4.13Å; V152-M257 HydrophobicContact CB-CE 4Å; V152-M257 HydrophobicContact CB-SD 4.41Å; V152-M257 HydrophobicContact CG1-CE 3.7Å; V152-M257 HydrophobicContact CG2-CE 3.95Å
153A87.8Confident91.4Very high32 Ų3260.2 Ų60.226%0.26436%0.361SS..G310 helixtrans-67.4-15.5174.800000114D151 R189 A198 F202 F253D151-A153 PolarHBondContact O-N 3.28Å; A153-R189 PolarHBondContact O-NH2 2.93Å; A153-A198 HydrophobicContact CB-CB 3.79Å; A153-F202 VanDerWaalsContact O-CZ 3.28Å; A153-F202 WeakPolarHBondContact O-CZ 3.44Å; A153-F253 HydrophobicContact CB-CE2 4.14Å; A153-F253 HydrophobicContact CB-CZ 4.46Å
154A89.7Confident91.4Very high35 Ų3567.1 Ų67.129%0.28940%0.398SS..G310 helixtrans-92.28.417600000114.1T148 D151 V152 K156T148-A154 HydrophobicContact CG2-CB 3.92Å; T148-A154 PolarHBondContact OG1-O 2.82Å; D151-A154 HydrophobicContact CB-CB 4.43Å; D151-A154 WeakPolarHBondContact O-CB 3.5Å; D151-A154 PolarHBondContact O-N 2.96Å; D151-A154 WeakPolarHBondContact OD2-CB 3.1Å; V152-A154 PolarHBondContact O-N 2.87Å; A154-K156 PolarHBondContact O-N 2.89Å
155V91.4Very high91.5Very high1 Ų166.8 Ų66.81%0.00640%0.398CS..  trans-55.1133.4173.8154.40000110.9E145 T148 V152 R189 F202E145-V155 HydrophobicContact CG-CG2 4.37Å; E145-V155 WeakPolarHBondContact OE1-CG1 3.26Å; T148-V155 HydrophobicContact CG2-CG2 4.26Å; V152-V155 HydrophobicContact CG1-CG2 4.26Å; V152-V155 WeakPolarHBondContact O-CB 3.26Å; V152-V155 VanDerWaalsContact O-CG2 3.23Å; V152-V155 WeakPolarHBondContact O-CG2 3.36Å; V152-V155 PolarHBondContact O-N 3.13Å; V155-R189 PolarHBondContact O-NE 2.62Å; V155-F202 HydrophobicContact CB-CD1 4.39Å; V155-F202 HydrophobicContact CB-CE1 3.55Å; V155-F202 HydrophobicContact CB-CZ 4.06Å; V155-F202 HydrophobicContact CG1-CD1 3.99Å; V155-F202 HydrophobicContact CG1-CE1 3.53Å; V155-F202 WeakPolarHBondContact O-CE1 3.47Å
156K93.6Very high91.5Very high161 Ų16166.5 Ų66.570%0.740%0.396SS*.  trans-113.7-15-174.3-67.3-175.9-178.4176.20114.1E145 A154 K158E145-K156 PolarHBondContact OE1-N 3.44Å; E145-K156 PolarHBondContact OE2-N 2.73Å; A154-K156 PolarHBondContact O-N 2.89Å; K156-K158 VanDerWaalsContact O-CG 3.24Å; K156-K158 WeakPolarHBondContact O-CG 3.25Å; K156-K158 PolarHBondContact O-N 3.48Å; K156-K158 VanDerWaalsContact O-N 3.16Å
157T96.7Very high91.7Very high2 Ų263.8 Ų63.81%0.01238%0.378CS..  trans-50124.3171.6-66.60000108.8E145 L168 N169 K172 A188 R189E145-T157 VanDerWaalsContact OE1-CB 3.27Å; E145-T157 WeakPolarHBondContact OE1-CB 3.42Å; E145-T157 PolarHBondContact OE1-N 3.49Å; E145-T157 PolarHBondContact OE1-OG1 3.5Å; T157-L168 HydrophobicContact CG2-CD1 3.52Å; T157-L168 HydrophobicContact CG2-CG 4.44Å; T157-N169 CarbonylContact C-O 3.53Å; T157-N169 WeakPolarHBondContact CA-O 3.01Å; T157-K172 VanDerWaalsContact OG1-CE 3.23Å; T157-K172 WeakPolarHBondContact OG1-CE 3.19Å; T157-K172 PolarHBondContact OG1-NZ 3.14Å; T157-A188 HydrophobicContact CG2-CB 3.87Å; T157-A188 CarbonylContact O-C 2.98Å; T157-A188 WeakPolarHBondContact O-CA 3.32Å; T157-R189 PolarHBondContact O-N 3.15Å
158K96.6Very high92.1Very high131 Ų13160.2 Ų60.257%0.5734%0.341SS*.EExtended strand (participates in β ladder)trans-102.1140.3-172.7-61.4-173.5-179.4176.30110.9K156 L168 N169 R189K156-K158 VanDerWaalsContact O-CG 3.24Å; K156-K158 WeakPolarHBondContact O-CG 3.25Å; K156-K158 PolarHBondContact O-N 3.48Å; K156-K158 VanDerWaalsContact O-N 3.16Å; K158-L168 WeakPolarHBondContact O-CA 3.4Å; K158-N169 PolarHBondContact N-O 3.11Å; K158-N169 PolarHBondContact O-N 3.2Å; K158-R189 WeakPolarHBondContact CA-O 3.09Å
159L97Very high92.6Very high3 Ų362.2 Ų62.22%0.01635%0.352CS..EExtended strand (participates in β ladder)trans-119.3100.3170.5-173.673.7000108.5Y166 L168 A188 R189 S190 T203 V205 V240L159-Y166 HydrophobicContact CD1-CG 4.21Å; L159-Y166 HydrophobicContact CD2-CD1 4.08Å; L159-Y166 HydrophobicContact CD2-CG 4.25Å; L159-Y166 HydrophobicContact CG-CD1 3.87Å; L159-Y166 HydrophobicContact CG-CG 4.03Å; L159-L168 HydrophobicContact CD1-CB 4.05Å; L159-L168 HydrophobicContact CD1-CD1 4.16Å; L159-A188 HydrophobicContact CB-CB 3.75Å; L159-R189 PolarHBondContact N-O 2.66Å; L159-S190 WeakPolarHBondContact O-CA 3.17Å; L159-T203 HydrophobicContact CD2-CG2 3.87Å; L159-V205 HydrophobicContact CD1-CG1 4.25Å; L159-V205 HydrophobicContact CD2-CG1 3.63Å; L159-V240 HydrophobicContact CD1-CB 4.49Å; L159-V240 HydrophobicContact CD1-CG2 4.41Å
160T96.3Very high93.2Very high85 Ų8561.5 Ų61.552%0.52134%0.344SS..EExtended strand (participates in β ladder)trans-100.6126.3-175.2-57.50000110.7K162 Y166 V167T160-K162 PolarHBondContact O-N 2.89Å; T160-Y166 CarbonylContact O-C 3.43Å; T160-Y166 VanDerWaalsContact O-CA 3.31Å; T160-Y166 WeakPolarHBondContact O-CA 3.39Å; T160-V167 PolarHBondContact N-O 3.21Å; T160-V167 PolarHBondContact O-N 3.45Å
161K94.3Very high93.8Very high132 Ų13262.2 Ų62.257%0.57434%0.339SS*.EExtended strand (participates in β ladder)trans-68129.2176.6-167.9173.4-176.3174.70110.9Y166K161-Y166 HydrophobicContact CB-CD1 3.92Å; K161-Y166 HydrophobicContact CB-CE1 3.75Å; K161-Y166 HydrophobicContact CD-CE1 4.26Å; K161-Y166 HydrophobicContact CG-CD1 4.31Å; K161-Y166 HydrophobicContact CG-CE1 3.88Å
162K92.4Very high94.2Very high155 Ų15557.4 Ų57.467%0.67431%0.313SS*.EExtended strand (participates in β ladder)trans-135.795.4177.2-172.3178.4-179.1179.60109.6T160 N164 S165 V167T160-K162 PolarHBondContact O-N 2.89Å; K162-N164 PolarHBondContact O-N 3.22Å; K162-S165 CarbonylContact C-O 3.56Å; K162-S165 PolarHBondContact N-O 3.16Å; K162-S165 PolarHBondContact O-N 3.28Å; K162-S165 VanDerWaalsContact O-O 3.1Å; K162-V167 HydrophobicContact CB-CG2 3.98Å; K162-V167 HydrophobicContact CD-CG2 3.83Å
163G90.6Very high94.7Very high63 Ų6357.9 Ų57.965%0.64932%0.315SS*.THydrogen-bonded Turntrans63.2-121.2-174.700000111.6
164N89.8Confident95Very high149 Ų14962.8 Ų62.880%0.79733%0.326SS*.THydrogen-bonded Turntrans-910.8-179.9-72.1-12.8000114.3K162 K242K162-N164 PolarHBondContact O-N 3.22Å; N164-K242 WeakPolarHBondContact O-CB 3.3Å
165S93.7Very high95.1Very high39 Ų3961.2 Ų61.227%0.27331%0.313SS..EExtended strand (participates in β ladder)trans-127.7177179.4-57.30000110.5K162K162-S165 CarbonylContact C-O 3.56Å; K162-S165 PolarHBondContact N-O 3.16Å; K162-S165 PolarHBondContact O-N 3.28Å; K162-S165 VanDerWaalsContact O-O 3.1Å
166Y95.9Very high95.2Very high8 Ų862.5 Ų62.53%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-117.7155.8172.6-60.6-95.9000110.1L159 T160 K161 I239 V240 K242 L245L159-Y166 HydrophobicContact CD1-CG 4.21Å; L159-Y166 HydrophobicContact CD2-CD1 4.08Å; L159-Y166 HydrophobicContact CD2-CG 4.25Å; L159-Y166 HydrophobicContact CG-CD1 3.87Å; L159-Y166 HydrophobicContact CG-CG 4.03Å; T160-Y166 CarbonylContact O-C 3.43Å; T160-Y166 VanDerWaalsContact O-CA 3.31Å; T160-Y166 WeakPolarHBondContact O-CA 3.39Å; K161-Y166 HydrophobicContact CB-CD1 3.92Å; K161-Y166 HydrophobicContact CB-CE1 3.75Å; K161-Y166 HydrophobicContact CD-CE1 4.26Å; K161-Y166 HydrophobicContact CG-CD1 4.31Å; K161-Y166 HydrophobicContact CG-CE1 3.88Å; Y166-I239 WeakPolarHBondContact O-CA 3.46Å; Y166-V240 PolarHBondContact N-O 2.94Å; Y166-V240 PolarHBondContact O-N 2.89Å; Y166-K242 HydrophobicContact CE2-CB 4.39Å; Y166-K242 HydrophobicContact CE2-CG 4.39Å; Y166-L245 HydrophobicContact CD2-CD1 3.56Å; Y166-L245 HydrophobicContact CE2-CD1 3.47Å; Y166-L245 VanDerWaalsContact CE2-CD1 3.47Å; Y166-L245 HydrophobicContact CE2-CD2 3.67Å; Y166-L245 HydrophobicContact CE2-CG 4.23Å; Y166-L245 HydrophobicContact CG-CD1 4.45Å
167V97.9Very high95.1Very high20 Ų2054.8 Ų54.812%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-113.8121.3171.4-174.50000107.5T160 K162 N169 D237 V238T160-V167 PolarHBondContact N-O 3.21Å; T160-V167 PolarHBondContact O-N 3.45Å; K162-V167 HydrophobicContact CB-CG2 3.98Å; K162-V167 HydrophobicContact CD-CG2 3.83Å; V167-N169 WeakPolarHBondContact CG1-ND2 3.41Å; V167-D237 HydrophobicContact CG1-CB 4.22Å; V167-V238 WeakPolarHBondContact CA-O 3.31Å
168L98.2Very high94.9Very high0 Ų054.7 Ų54.70%029%0.287CS..EExtended strand (participates in β ladder)trans-100.8124.5-179.2176.569.7000109.6T157 K158 L159 V186 A188 V205 V207 F235 V238 V240T157-L168 HydrophobicContact CG2-CD1 3.52Å; T157-L168 HydrophobicContact CG2-CG 4.44Å; K158-L168 WeakPolarHBondContact O-CA 3.4Å; L159-L168 HydrophobicContact CD1-CB 4.05Å; L159-L168 HydrophobicContact CD1-CD1 4.16Å; L168-V186 HydrophobicContact CD1-CG1 4.29Å; L168-V186 HydrophobicContact CD2-CB 4.37Å; L168-V186 HydrophobicContact CD2-CG1 4.11Å; L168-V186 HydrophobicContact CD2-CG2 4.31Å; L168-A188 HydrophobicContact CD1-CB 3.6Å; L168-V205 HydrophobicContact CD2-CG2 4.49Å; L168-V207 HydrophobicContact CD2-CG2 3.77Å; L168-F235 HydrophobicContact CD2-CB 4.04Å; L168-F235 HydrophobicContact CD2-CD1 3.5Å; L168-F235 HydrophobicContact CD2-CD2 4.32Å; L168-F235 HydrophobicContact CD2-CE1 4.02Å; L168-F235 HydrophobicContact CD2-CG 3.68Å; L168-F235 HydrophobicContact CG-CB 3.92Å; L168-F235 HydrophobicContact CG-CD1 4.34Å; L168-F235 HydrophobicContact CG-CG 4.08Å; L168-V238 HydrophobicContact CB-CB 4.21Å; L168-V238 PolarHBondContact N-O 2.85Å; L168-V238 PolarHBondContact O-N 2.85Å; L168-V238 VanDerWaalsContact O-N 3.14Å; L168-V240 HydrophobicContact CB-CG2 3.87Å; L168-V240 HydrophobicContact CD2-CG2 4.34Å
169N98.4Very high94.8Very high57 Ų5749.2 Ų49.231%0.30527%0.268SS..EExtended strand (participates in β ladder)trans-135.8127.8179.9-86.1-66.1000111.4T157 K158 V167 F235 D237T157-N169 CarbonylContact C-O 3.53Å; T157-N169 WeakPolarHBondContact CA-O 3.01Å; K158-N169 PolarHBondContact N-O 3.11Å; K158-N169 PolarHBondContact O-N 3.2Å; V167-N169 WeakPolarHBondContact CG1-ND2 3.41Å; N169-F235 VanDerWaalsContact CA-O 3.32Å; N169-F235 WeakPolarHBondContact CA-O 3.47Å; N169-D237 PolarHBondContact ND2-OD1 2.69Å; N169-D237 PolarHBondContact OD1-N 2.67Å
170G97.4Very high94.8Very high23 Ų2353 Ų5324%0.23728%0.282CS..EExtended strand (participates in β ladder)trans153.2-176.217200000113.8F235G170-F235 PolarHBondContact N-O 3Å; G170-F235 PolarHBondContact O-N 2.94Å
171Q97.7Very high94.6Very high91 Ų9149 Ų4943%0.42526%0.258SS..EExtended strand (participates in β ladder)trans-126.8131.6-174.7-175.1-176.6-1.700110.7E145 P146E145-Q171 WeakPolarHBondContact CG-O 3.33Å; P146-Q171 HydrophobicContact CG-CG 4.1Å
172K97.2Very high94.6Very high0 Ų045.1 Ų45.10%024%0.243CC..EExtended strand (participates in β ladder)trans-110.5151.4176.4-62.1-70.7-175.8-159.90109.4C142 V143 T144 E145 T157 I175 L187 A232 I233 F235C142-K172 HydrophobicContact CB-CB 4.27Å; C142-K172 HydrophobicContact CB-CD 4.23Å; C142-K172 HydrophobicContact CB-CG 3.89Å; C142-K172 WeakPolarHBondContact O-CE 3.25Å; V143-K172 PolarHBondContact O-NZ 3.4Å; T144-K172 CarbonylContact O-C 3.52Å; T144-K172 VanDerWaalsContact O-CA 3.31Å; T144-K172 WeakPolarHBondContact O-CA 3.45Å; T144-K172 WeakPolarHBondContact O-CD 3.35Å; E145-K172 HydrophobicContact CG-CD 3.95Å; E145-K172 IonicContact OE1-NZ 2.71Å; E145-K172 PolarHBondContact OE1-NZ 3.43Å; T157-K172 VanDerWaalsContact OG1-CE 3.23Å; T157-K172 WeakPolarHBondContact OG1-CE 3.19Å; T157-K172 PolarHBondContact OG1-NZ 3.14Å; K172-I175 HydrophobicContact CB-CD1 3.99Å; K172-I175 HydrophobicContact CB-CG1 3.83Å; K172-L187 WeakPolarHBondContact CE-O 3.27Å; K172-L187 PolarHBondContact NZ-O 2.98Å; K172-A232 CarbonylContact O-C 3.58Å; K172-A232 VanDerWaalsContact O-CA 3.26Å; K172-A232 WeakPolarHBondContact O-CA 3.49Å; K172-I233 HydrophobicContact CB-CB 4.42Å; K172-I233 PolarHBondContact N-O 2.84Å; K172-I233 PolarHBondContact O-N 2.9Å; K172-F235 HydrophobicContact CB-CE2 4.47Å; K172-F235 HydrophobicContact CG-CD2 4.37Å; K172-F235 HydrophobicContact CG-CE2 3.81Å
173M96.3Very high94.7Very high29 Ų2937.8 Ų37.814%0.14321%0.211CC..EExtended strand (participates in β ladder)trans-138150.4-173.1-168.661.6-177.700110.6T144 P146 I175 A232T144-M173 WeakPolarHBondContact CB-O 3.4Å; T144-M173 PolarHBondContact O-N 3.38Å; P146-M173 HydrophobicContact CG-CB 4.04Å; M173-I175 VanDerWaalsContact C-N 3.29Å; M173-I175 WeakPolarHBondContact O-CD1 3.16Å; M173-I175 PolarHBondContact O-N 2.98Å; M173-A232 HydrophobicContact SD-CB 3.76Å
174W93.8Very high94.7Very high135 Ų13534.8 Ų34.851%0.51118%0.18SC..EExtended strand (participates in β ladder)trans62.336.6-178.6-46114.6000112.9T176 E220 T230 R231W174-T176 PolarHBondContact O-N 3.22Å; W174-E220 HydrophobicContact CE3-CG 4.34Å; W174-E220 HydrophobicContact CZ3-CB 4.38Å; W174-E220 HydrophobicContact CZ3-CG 3.98Å; W174-T230 HydrophobicContact CB-CG2 4.4Å; W174-T230 HydrophobicContact CE3-CG2 4.23Å; W174-R231 PolarHBondContact N-O 3.45Å
175I93.2Very high94.8Very high2 Ų227.7 Ų27.71%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-85.6103.1-177.1-54.2-45.1000109.3A140 C142 K172 M173 G178 T230 R231 I233A140-I175 HydrophobicContact CB-CG2 3.79Å; C142-I175 HydrophobicContact CB-CD1 4.28Å; C142-I175 VanDerWaalsContact SG-CG2 3.58Å; K172-I175 HydrophobicContact CB-CD1 3.99Å; K172-I175 HydrophobicContact CB-CG1 3.83Å; M173-I175 VanDerWaalsContact C-N 3.29Å; M173-I175 WeakPolarHBondContact O-CD1 3.16Å; M173-I175 PolarHBondContact O-N 2.98Å; I175-G178 PolarHBondContact O-N 3.49Å; I175-T230 WeakPolarHBondContact O-CA 3.43Å; I175-R231 WeakPolarHBondContact CB-O 2.83Å; I175-R231 PolarHBondContact N-O 3.44Å; I175-R231 PolarHBondContact O-N 3.22Å; I175-I233 HydrophobicContact CB-CG1 3.86Å; I175-I233 HydrophobicContact CG1-CB 4.46Å; I175-I233 HydrophobicContact CG1-CG1 3.96Å; I175-I233 HydrophobicContact CG2-CG1 4.02Å
176T91.7Very high94.8Very high27 Ų2725.8 Ų25.817%0.16613%0.129CC..EExtended strand (participates in β ladder)trans-58.8139.4169.6-50.80000109.9T96 A100 A140 W174 G178 S228 D229T96-T176 HydrophobicContact CG2-CG2 3.92Å; A100-T176 HydrophobicContact CB-CG2 3.59Å; A140-T176 VanDerWaalsContact CB-O 3.26Å; A140-T176 WeakPolarHBondContact CB-O 3.35Å; W174-T176 PolarHBondContact O-N 3.22Å; T176-G178 PolarHBondContact O-N 3.34Å; T176-S228 WeakPolarHBondContact CG2-OG 3.47Å; T176-D229 CarbonylContact C-O 3.5Å; T176-D229 WeakPolarHBondContact CA-O 3.47Å
177N92.7Very high94.6Very high0 Ų025.4 Ų25.40%013%0.128CC..THydrogen-bonded Turntrans6410.1-175.5-72-6000115.5Y48 A100 I138 A140 G179 Y180 A181 D229Y48-N177 PolarHBondContact OH-OD1 2.82Å; A100-N177 WeakPolarHBondContact CB-ND2 3.3Å; I138-N177 HydrophobicContact CG2-CB 3.38Å; I138-N177 WeakPolarHBondContact CG2-ND2 3.44Å; A140-N177 HydrophobicContact CB-CB 4.29Å; N177-G179 PolarHBondContact O-N 3.43Å; N177-Y180 PolarHBondContact O-N 2.98Å; N177-A181 WeakPolarHBondContact O-CB 3.48Å; N177-A181 PolarHBondContact O-N 3.25Å; N177-D229 PolarHBondContact N-O 3.45Å
178G92.7Very high94.5Very high0 Ų024.5 Ų24.50%012%0.122CC..THydrogen-bonded Turntrans-58-28.8-172.900000114.8I175 T176 R216I175-G178 PolarHBondContact O-N 3.49Å; T176-G178 PolarHBondContact O-N 3.34Å; G178-R216 WeakPolarHBondContact O-CD 3.27Å; G178-R216 PolarHBondContact O-NH1 3.49Å
179G95Very high94.3Very high16 Ų1626.7 Ų26.717%0.16513%0.13CC..THydrogen-bonded Turntrans-76.8-24179.900000114.1N177 R216 D229 R231N177-G179 PolarHBondContact O-N 3.43Å; G179-R216 PolarHBondContact O-NH1 2.86Å; G179-D229 WeakPolarHBondContact CA-OD2 3.45Å; G179-D229 PolarHBondContact N-OD2 2.92Å; G179-R231 VanDerWaalsContact CA-CD 3.48Å; G179-R231 VanDerWaalsContact CA-NE 3.27Å
180Y95.2Very high94.1Very high83 Ų8324.6 Ų24.633%0.32512%0.12SC..THydrogen-bonded Turntrans-123.3-4.4-173.7-60.1-72.8000114.2Y48 W50 N177 N182 D229Y48-Y180 HydrophobicContact CD1-CD2 4.19Å; Y48-Y180 HydrophobicContact CD1-CE2 4.3Å; Y48-Y180 AromaticContact CD2-CD2 3.61Å; Y48-Y180 HydrophobicContact CD2-CD2 3.61Å; Y48-Y180 AromaticContact CD2-CE2 3.64Å; Y48-Y180 HydrophobicContact CD2-CE2 3.64Å; Y48-Y180 HydrophobicContact CE2-CD2 4Å; Y48-Y180 HydrophobicContact CE2-CE2 4.48Å; Y48-Y180 AromaticContact CG-CD2 3.69Å; Y48-Y180 HydrophobicContact CG-CD2 3.69Å; Y48-Y180 AromaticContact CG-CE2 3.51Å; Y48-Y180 HydrophobicContact CG-CE2 3.51Å; W50-Y180 AromaticContact CE2-CD1 3.94Å; W50-Y180 AromaticContact CZ2-CD1 3.62Å; W50-Y180 HydrophobicContact CZ2-CD1 3.62Å; W50-Y180 HydrophobicContact CZ2-CE1 4.39Å; W50-Y180 AromaticContact CZ2-CG 3.85Å; W50-Y180 HydrophobicContact CZ2-CG 3.85Å; W50-Y180 AromaticContact NE1-CD1 3.65Å; W50-Y180 AromaticContact NE1-CE1 3.52Å; N177-Y180 PolarHBondContact O-N 2.98Å; Y180-N182 PolarHBondContact O-N 3.41Å; Y180-D229 HydrophobicContact CD2-CB 3.87Å; Y180-D229 HydrophobicContact CE2-CB 3.86Å
181A93.6Very high93.8Very high1 Ų125.8 Ų25.81%0.00812%0.121CC..  trans-55.9121.8-178.400000112.7I138 A140 N177 W183 F184 R216I138-A181 CarbonylContact O-C 3.52Å; I138-A181 WeakPolarHBondContact O-CA 3.37Å; A140-A181 HydrophobicContact CB-CB 3.58Å; N177-A181 WeakPolarHBondContact O-CB 3.48Å; N177-A181 PolarHBondContact O-N 3.25Å; A181-W183 VanDerWaalsContact C-N 3.26Å; A181-F184 HydrophobicContact CB-CD1 4.05Å; A181-F184 HydrophobicContact CB-CE1 3.58Å; A181-F184 HydrophobicContact CB-CE2 4.19Å; A181-F184 HydrophobicContact CB-CZ 3.66Å; A181-R216 PolarHBondContact O-NH1 3.27Å; A181-R216 PolarHBondContact O-NH2 2.92Å
182N94Very high93.2Very high50 Ų5027.6 Ų27.627%0.26714%0.141SC..SBendtrans-68.4-28.7166.6179.5-98.2000111.3R131 L137 I138 Y180 G209R131-N182 PolarHBondContact NH1-OD1 3.19Å; L137-N182 HydrophobicContact CB-CB 4.18Å; L137-N182 HydrophobicContact CD1-CB 4.49Å; L137-N182 HydrophobicContact CD2-CB 4.38Å; I138-N182 WeakPolarHBondContact O-CB 3.48Å; I138-N182 PolarHBondContact O-N 3.37Å; Y180-N182 PolarHBondContact O-N 3.41Å; N182-G209 WeakPolarHBondContact O-CA 3.49Å; N182-G209 PolarHBondContact O-N 3.31Å
183W93.1Very high92.7Very high0 Ų031 Ų310%016%0.159CC..EExtended strand (participates in β ladder)trans-154.4157.317559.2-88.5000111.5A104 F109 Y128 M132 A139 A140 A181 F185 V206 V207A104-W183 HydrophobicContact CB-CH2 3.48Å; A104-W183 VanDerWaalsContact CB-CH2 3.48Å; A104-W183 HydrophobicContact CB-CZ2 4.3Å; A104-W183 HydrophobicContact CB-CZ3 3.67Å; F109-W183 HydrophobicContact CE2-CH2 4.41Å; Y128-W183 HydrophobicContact CD1-CB 3.85Å; Y128-W183 AromaticContact CD1-CD1 3.75Å; Y128-W183 AromaticContact CD1-CD2 3.95Å; Y128-W183 HydrophobicContact CD1-CD2 3.95Å; Y128-W183 AromaticContact CD1-CG 3.56Å; Y128-W183 HydrophobicContact CD1-CG 3.56Å; Y128-W183 HydrophobicContact CE1-CB 3.75Å; Y128-W183 HydrophobicContact CE1-CG 4.02Å; M132-W183 HydrophobicContact CG-CZ2 4.33Å; M132-W183 HydrophobicContact SD-CZ2 4.42Å; M132-W183 PolarHBondContact SD-NE1 3.13Å; A139-W183 WeakPolarHBondContact CA-O 3.48Å; A139-W183 HydrophobicContact CB-CD2 3.89Å; A139-W183 HydrophobicContact CB-CE3 4.29Å; A139-W183 HydrophobicContact CB-CH2 3.87Å; A139-W183 HydrophobicContact CB-CZ2 3.39Å; A139-W183 HydrophobicContact CB-CZ3 4.28Å; A140-W183 PolarHBondContact N-O 2.9Å; A140-W183 VanDerWaalsContact N-O 3.1Å; A181-W183 VanDerWaalsContact C-N 3.26Å; W183-F185 HydrophobicContact CZ3-CB 4.48Å; W183-V206 HydrophobicContact CB-CG1 4.21Å; W183-V206 HydrophobicContact CD2-CG1 4.36Å; W183-V206 HydrophobicContact CE3-CG1 3.86Å; W183-V207 CarbonylContact C-O 3.51Å; W183-V207 VanDerWaalsContact CA-O 3.26Å; W183-V207 WeakPolarHBondContact CA-O 2.98Å
184F92.2Very high91.9Very high0 Ų034.5 Ų34.50%019%0.186CC..EExtended strand (participates in β ladder)trans-119130.3-178.4-61.7-84.1000110.4A140 C142 A181 V186 V206 V207 V214 I233A140-F184 HydrophobicContact CB-CD1 3.59Å; A140-F184 HydrophobicContact CB-CE1 3.74Å; A140-F184 WeakPolarHBondContact O-CA 3.38Å; C142-F184 WeakPolarHBondContact SG-CD1 3.34Å; A181-F184 HydrophobicContact CB-CD1 4.05Å; A181-F184 HydrophobicContact CB-CE1 3.58Å; A181-F184 HydrophobicContact CB-CE2 4.19Å; A181-F184 HydrophobicContact CB-CZ 3.66Å; F184-V186 HydrophobicContact CB-CG2 3.9Å; F184-V206 CarbonylContact O-C 3.26Å; F184-V206 WeakPolarHBondContact O-CA 3.36Å; F184-V207 HydrophobicContact CB-CB 4.43Å; F184-V207 PolarHBondContact N-O 2.95Å; F184-V207 PolarHBondContact O-N 2.94Å; F184-V214 HydrophobicContact CD2-CG1 4.45Å; F184-V214 HydrophobicContact CE2-CG1 3.81Å; F184-V214 HydrophobicContact CZ-CG1 4.4Å; F184-I233 HydrophobicContact CE1-CD1 4.12Å; F184-I233 HydrophobicContact CE1-CG1 4.09Å; F184-I233 HydrophobicContact CE1-CG2 4.31Å; F184-I233 HydrophobicContact CZ-CD1 4.21Å; F184-I233 HydrophobicContact CZ-CG2 4.36Å
185F91Very high91.4Very high0 Ų033.6 Ų33.60%020%0.196CC..EExtended strand (participates in β ladder)trans-74.7130.9153.5172.5-86.8000108.2A107 N108 A140 Y141 C142 V143 W183 L187 A204 I246 I255 A256A107-F185 HydrophobicContact CB-CD2 4.15Å; A107-F185 HydrophobicContact CB-CE2 3.83Å; A107-F185 HydrophobicContact CB-CZ 4.12Å; N108-F185 WeakPolarHBondContact OD1-CD2 3.49Å; N108-F185 VanDerWaalsContact OD1-CE2 3.25Å; N108-F185 WeakPolarHBondContact OD1-CE2 3.19Å; A140-F185 PolarHBondContact O-N 3.31Å; Y141-F185 HydrophobicContact CD2-CB 3.84Å; Y141-F185 AromaticContact CD2-CD1 3.35Å; Y141-F185 HydrophobicContact CD2-CD1 3.35Å; Y141-F185 HydrophobicContact CD2-CE1 4.02Å; Y141-F185 AromaticContact CD2-CG 3.67Å; Y141-F185 HydrophobicContact CD2-CG 3.67Å; Y141-F185 HydrophobicContact CE1-CD1 4.46Å; Y141-F185 HydrophobicContact CE2-CB 4.34Å; Y141-F185 AromaticContact CE2-CD1 3.07Å; Y141-F185 HydrophobicContact CE2-CD1 3.07Å; Y141-F185 HydrophobicContact CE2-CD2 4.28Å; Y141-F185 AromaticContact CE2-CE1 3.24Å; Y141-F185 HydrophobicContact CE2-CE1 3.24Å; Y141-F185 HydrophobicContact CE2-CE2 4.36Å; Y141-F185 AromaticContact CE2-CG 3.65Å; Y141-F185 HydrophobicContact CE2-CG 3.65Å; Y141-F185 AromaticContact CE2-CZ 3.9Å; Y141-F185 HydrophobicContact CE2-CZ 3.9Å; Y141-F185 HydrophobicContact CG-CD1 4.21Å; Y141-F185 AromaticContact CZ-CD1 3.73Å; Y141-F185 AromaticContact CZ-CE1 3.55Å; C142-F185 WeakPolarHBondContact CA-O 3.47Å; C142-F185 WeakPolarHBondContact CB-O 3.45Å; C142-F185 PolarHBondContact N-O 2.96Å; V143-F185 HydrophobicContact CG2-CE1 4.06Å; W183-F185 HydrophobicContact CZ3-CB 4.48Å; F185-L187 HydrophobicContact CE1-CB 4.22Å; F185-A204 HydrophobicContact CE2-CB 3.55Å; F185-A204 HydrophobicContact CZ-CB 3.61Å; F185-I246 HydrophobicContact CD2-CD1 3.45Å; F185-I246 VanDerWaalsContact CD2-CD1 3.45Å; F185-I246 HydrophobicContact CE2-CD1 3.72Å; F185-I255 HydrophobicContact CE2-CG2 3.95Å; F185-I255 HydrophobicContact CZ-CG2 4.23Å; F185-A256 HydrophobicContact CE1-CB 4.22Å; F185-A256 HydrophobicContact CZ-CB 4.07Å
186V93.1Very high91.1Very high0 Ų034 Ų340%020%0.2CC..EExtended strand (participates in β ladder)trans-129.7125.2177-167.40000110.7C142 L168 F184 A204 V205 V207 F235C142-V186 HydrophobicContact CB-CB 4.39Å; C142-V186 HydrophobicContact CB-CG1 4.27Å; C142-V186 HydrophobicContact CB-CG2 4.12Å; L168-V186 HydrophobicContact CD1-CG1 4.29Å; L168-V186 HydrophobicContact CD2-CB 4.37Å; L168-V186 HydrophobicContact CD2-CG1 4.11Å; L168-V186 HydrophobicContact CD2-CG2 4.31Å; F184-V186 HydrophobicContact CB-CG2 3.9Å; V186-A204 WeakPolarHBondContact O-CA 3.17Å; V186-V205 HydrophobicContact CB-CG2 3.92Å; V186-V205 PolarHBondContact N-O 3.16Å; V186-V205 PolarHBondContact O-N 2.71Å; V186-V207 HydrophobicContact CG2-CB 4.41Å; V186-V207 HydrophobicContact CG2-CG2 3.87Å; V186-F235 HydrophobicContact CG1-CE2 4.18Å; V186-F235 HydrophobicContact CG1-CZ 4.34Å; V186-F235 HydrophobicContact CG2-CE1 3.9Å; V186-F235 HydrophobicContact CG2-CE2 4.22Å; V186-F235 HydrophobicContact CG2-CZ 3.54Å
187L92.6Very high90.9Very high0 Ų036.4 Ų36.40%022%0.215CC..EExtended strand (participates in β ladder)trans-89122166.5-176.568.9000109.7C142 V143 V152 K172 F185 F202 G252 A256C142-L187 PolarHBondContact O-N 2.91Å; V143-L187 HydrophobicContact CG1-CD2 4.18Å; V143-L187 HydrophobicContact CG2-CB 3.77Å; V143-L187 HydrophobicContact CG2-CD2 4.17Å; V152-L187 HydrophobicContact CG1-CD2 3.54Å; K172-L187 WeakPolarHBondContact CE-O 3.27Å; K172-L187 PolarHBondContact NZ-O 2.98Å; F185-L187 HydrophobicContact CE1-CB 4.22Å; L187-F202 HydrophobicContact CD1-CB 3.63Å; L187-F202 HydrophobicContact CD1-CG 4.28Å; L187-F202 HydrophobicContact CG-CB 4.28Å; L187-F202 HydrophobicContact CG-CD1 4.29Å; L187-F202 HydrophobicContact CG-CG 4.47Å; L187-G252 VanDerWaalsContact CD1-C 3.41Å; L187-G252 WeakPolarHBondContact CD1-O 3.49Å; L187-A256 HydrophobicContact CB-CB 4.5Å; L187-A256 HydrophobicContact CD1-CB 3.93Å; L187-A256 HydrophobicContact CD2-CB 3.88Å; L187-A256 HydrophobicContact CG-CB 4.33Å
188A95.1Very high90.5Very high0 Ų037.5 Ų37.50%023%0.225CC..EExtended strand (participates in β ladder)trans-135.9148.2-179.800000111.5T157 L159 L168 S190 F202 T203T157-A188 HydrophobicContact CG2-CB 3.87Å; T157-A188 CarbonylContact O-C 2.98Å; T157-A188 WeakPolarHBondContact O-CA 3.32Å; L159-A188 HydrophobicContact CB-CB 3.75Å; L168-A188 HydrophobicContact CD1-CB 3.6Å; A188-S190 PolarHBondContact O-N 2.85Å; A188-F202 CarbonylContact O-C 3.56Å; A188-F202 VanDerWaalsContact O-CA 3.27Å; A188-F202 WeakPolarHBondContact O-CA 3.05Å; A188-T203 PolarHBondContact N-O 3.45Å; A188-T203 PolarHBondContact O-N 3.4Å; A188-T203 VanDerWaalsContact O-O 3.1Å
189R95.1Very high90Very high46 Ų4639.8 Ų39.817%0.17424%0.241CC..EExtended strand (participates in β ladder)trans-76.5112.9174.4-178172.9-73.5-92.51.9109A153 V155 T157 K158 L159 N191 A201 F202A153-R189 PolarHBondContact O-NH2 2.93Å; V155-R189 PolarHBondContact O-NE 2.62Å; T157-R189 PolarHBondContact O-N 3.15Å; K158-R189 WeakPolarHBondContact CA-O 3.09Å; L159-R189 PolarHBondContact N-O 2.66Å; R189-N191 WeakPolarHBondContact CG-O 3.33Å; R189-A201 WeakPolarHBondContact CA-O 3.41Å; R189-F202 HydrophobicContact CB-CD1 3.96Å; R189-F202 HydrophobicContact CB-CE1 3.88Å; R189-F202 HydrophobicContact CG-CE1 4.49Å; R189-F202 VanDerWaalsContact NH2-CZ 3.3Å
190S94.2Very high89.6Confident13 Ų1345.4 Ų45.49%0.09126%0.261CS..  trans-99.8-25176.963.20000112.7L159 A188 P192 A201 T203L159-S190 WeakPolarHBondContact O-CA 3.17Å; A188-S190 PolarHBondContact O-N 2.85Å; S190-P192 WeakPolarHBondContact O-CD 3.26Å; S190-A201 PolarHBondContact N-O 2.77Å; S190-T203 WeakPolarHBondContact CB-OG1 3.42Å; S190-T203 PolarHBondContact OG-OG1 2.69Å
191N91Very high89.4Confident49 Ų4941.5 Ų41.526%0.26225%0.245SC..  trans-78.9122.4176.1-166.2-27.8000110.2R189 D193 A196 A201R189-N191 WeakPolarHBondContact CG-O 3.33Å; N191-D193 PolarHBondContact O-N 2.89Å; N191-D193 WeakPolarHBondContact OD1-CB 3.4Å; N191-D193 PolarHBondContact OD1-N 3.05Å; N191-A196 HydrophobicContact CB-CB 4.34Å; N191-A196 VanDerWaalsContact ND2-CB 3.34Å; N191-A196 WeakPolarHBondContact ND2-CB 3.41Å; N191-A201 PolarHBondContact N-O 3.4Å; N191-A201 VanDerWaalsContact N-O 3.16Å
192P83.8Confident89.4Confident129 Ų12941.4 Ų41.484%0.83825%0.245SC*.SBendtrans-68.8-22.3178.128.5-35.9000113.2S190 S194S190-P192 WeakPolarHBondContact O-CD 3.26Å; P192-S194 PolarHBondContact O-N 2.84Å
193D86.4Confident89.3Confident72 Ų7239 Ų3939%0.38523%0.232SC..  trans-72112.1175.3177.811000110.3N191 T195 A196N191-D193 PolarHBondContact O-N 2.89Å; N191-D193 WeakPolarHBondContact OD1-CB 3.4Å; N191-D193 PolarHBondContact OD1-N 3.05Å; D193-T195 VanDerWaalsContact CG-OG1 3.26Å; D193-T195 PolarHBondContact O-N 3.28Å; D193-T195 WeakPolarHBondContact OD1-CA 3.43Å; D193-T195 WeakPolarHBondContact OD1-CB 3.34Å; D193-T195 PolarHBondContact OD1-N 3.3Å; D193-T195 PolarHBondContact OD1-OG1 2.97Å; D193-T195 PolarHBondContact OD2-OG1 3.34Å; D193-T195 VanDerWaalsContact OD2-OG1 3.11Å; D193-A196 HydrophobicContact CB-CB 4.18Å; D193-A196 VanDerWaalsContact O-CB 3.28Å; D193-A196 WeakPolarHBondContact O-CB 3.43Å; D193-A196 PolarHBondContact O-N 3.22Å; D193-A196 PolarHBondContact OD2-N 2.94Å
194S80.7Confident89.1Confident102 Ų10239 Ų3971%0.71323%0.232SC*.THydrogen-bonded Turntrans-67-20.7177.154.20000113.3P192P192-S194 PolarHBondContact O-N 2.84Å
195T83.9Confident89.1Confident115 Ų11539 Ų3971%0.70623%0.232SC*.THydrogen-bonded Turntrans-88-8.717873.20000113D193D193-T195 VanDerWaalsContact CG-OG1 3.26Å; D193-T195 PolarHBondContact O-N 3.28Å; D193-T195 WeakPolarHBondContact OD1-CA 3.43Å; D193-T195 WeakPolarHBondContact OD1-CB 3.34Å; D193-T195 PolarHBondContact OD1-N 3.3Å; D193-T195 PolarHBondContact OD1-OG1 2.97Å; D193-T195 PolarHBondContact OD2-OG1 3.34Å; D193-T195 VanDerWaalsContact OD2-OG1 3.11Å
196A86.9Confident89.1Confident11 Ų1139.1 Ų39.19%0.09123%0.232CC..SBendtrans-56.5135.1178.500000110.7N191 D193 A198 A201N191-A196 HydrophobicContact CB-CB 4.34Å; N191-A196 VanDerWaalsContact ND2-CB 3.34Å; N191-A196 WeakPolarHBondContact ND2-CB 3.41Å; D193-A196 HydrophobicContact CB-CB 4.18Å; D193-A196 VanDerWaalsContact O-CB 3.28Å; D193-A196 WeakPolarHBondContact O-CB 3.43Å; D193-A196 PolarHBondContact O-N 3.22Å; D193-A196 PolarHBondContact OD2-N 2.94Å; A196-A198 PolarHBondContact O-N 3.48Å; A196-A201 HydrophobicContact CB-CB 4.29Å
197P87.1Confident89.2Confident77 Ų7739.3 Ų39.350%0.523%0.234SC..  trans-59.414117925.2-34.1000109.9S199 K200 A201P197-S199 PolarHBondContact O-N 3.48Å; P197-K200 HydrophobicContact CG-CD 4.47Å; P197-K200 PolarHBondContact O-N 3.27Å; P197-A201 PolarHBondContact O-N 2.85Å; P197-A201 VanDerWaalsContact O-N 3.16Å
198A84.5Confident89.3Confident24 Ų2440.9 Ų40.920%0.19824%0.242CC..Hα-helixtrans-50.3-35.9-17600000112.9A153 A196 K200 A201 F202 F253A153-A198 HydrophobicContact CB-CB 3.79Å; A196-A198 PolarHBondContact O-N 3.48Å; A198-K200 PolarHBondContact O-N 3.19Å; A198-A201 PolarHBondContact O-N 2.86Å; A198-F202 HydrophobicContact CB-CE2 4.2Å; A198-F202 WeakPolarHBondContact O-CD2 3.37Å; A198-F253 HydrophobicContact CB-CD1 4.14Å; A198-F253 HydrophobicContact CB-CD2 3.99Å; A198-F253 HydrophobicContact CB-CE1 4.06Å; A198-F253 HydrophobicContact CB-CE2 3.92Å; A198-F253 HydrophobicContact CB-CG 4.1Å; A198-F253 HydrophobicContact CB-CZ 3.96Å; A198-F253 WeakPolarHBondContact O-CB 3.23Å; A198-F253 WeakPolarHBondContact O-CG 3.37Å
199S82.4Confident89.2Confident48 Ų4841.2 Ų41.234%0.33625%0.245SC..Hα-helixtrans-61.3-10.3177.162.50000116.3P197 G250P197-S199 PolarHBondContact O-N 3.48Å; S199-G250 CarbonylContact C-O 3.52Å
200K86.8Confident89.2Confident134 Ų13446 Ų4658%0.58327%0.274SS*.Hα-helixtrans-130.1-5.5177.9-62.1-174180-177.30113.1P197 A198 G250P197-K200 HydrophobicContact CG-CD 4.47Å; P197-K200 PolarHBondContact O-N 3.27Å; A198-K200 PolarHBondContact O-N 3.19Å; K200-G250 WeakPolarHBondContact CA-O 3.46Å; K200-G250 WeakPolarHBondContact O-CA 3.36Å
201A90.8Very high89.4Confident0 Ų046.6 Ų46.60%028%0.28CS..Hα-helixtrans-83.8-23.6-171.100000113.6R189 S190 N191 A196 P197 A198R189-A201 WeakPolarHBondContact CA-O 3.41Å; S190-A201 PolarHBondContact N-O 2.77Å; N191-A201 PolarHBondContact N-O 3.4Å; N191-A201 VanDerWaalsContact N-O 3.16Å; A196-A201 HydrophobicContact CB-CB 4.29Å; P197-A201 PolarHBondContact O-N 2.85Å; P197-A201 VanDerWaalsContact O-N 3.16Å; A198-A201 PolarHBondContact O-N 2.86Å
202F92.1Very high89.7Confident0 Ų053.7 Ų53.70%031%0.309CS..EExtended strand (participates in β ladder)trans-118.7147.4-167.9-59.1-84.2000112.7A153 V155 L187 A188 R189 A198 G250 M251 G252 F253A153-F202 VanDerWaalsContact O-CZ 3.28Å; A153-F202 WeakPolarHBondContact O-CZ 3.44Å; V155-F202 HydrophobicContact CB-CD1 4.39Å; V155-F202 HydrophobicContact CB-CE1 3.55Å; V155-F202 HydrophobicContact CB-CZ 4.06Å; V155-F202 HydrophobicContact CG1-CD1 3.99Å; V155-F202 HydrophobicContact CG1-CE1 3.53Å; V155-F202 WeakPolarHBondContact O-CE1 3.47Å; L187-F202 HydrophobicContact CD1-CB 3.63Å; L187-F202 HydrophobicContact CD1-CG 4.28Å; L187-F202 HydrophobicContact CG-CB 4.28Å; L187-F202 HydrophobicContact CG-CD1 4.29Å; L187-F202 HydrophobicContact CG-CG 4.47Å; A188-F202 CarbonylContact O-C 3.56Å; A188-F202 VanDerWaalsContact O-CA 3.27Å; A188-F202 WeakPolarHBondContact O-CA 3.05Å; R189-F202 HydrophobicContact CB-CD1 3.96Å; R189-F202 HydrophobicContact CB-CE1 3.88Å; R189-F202 HydrophobicContact CG-CE1 4.49Å; R189-F202 VanDerWaalsContact NH2-CZ 3.3Å; A198-F202 HydrophobicContact CB-CE2 4.2Å; A198-F202 WeakPolarHBondContact O-CD2 3.37Å; F202-G250 CarbonylContact O-C 3.51Å; F202-G250 WeakPolarHBondContact O-CA 3.13Å; F202-G250 PolarHBondContact O-N 3.44Å; F202-M251 PolarHBondContact O-N 3.34Å; F202-G252 VanDerWaalsContact O-CA 3.32Å; F202-G252 WeakPolarHBondContact O-CA 3.48Å; F202-G252 PolarHBondContact O-N 2.87Å; F202-F253 HydrophobicContact CB-CB 4.19Å; F202-F253 HydrophobicContact CD2-CB 3.93Å; F202-F253 AromaticContact CD2-CD2 3.66Å; F202-F253 HydrophobicContact CD2-CD2 3.66Å; F202-F253 HydrophobicContact CD2-CG 4.17Å; F202-F253 AromaticContact CE2-CD2 3.9Å; F202-F253 HydrophobicContact CE2-CD2 3.9Å; F202-F253 HydrophobicContact CE2-CE2 4.47Å; F202-F253 HydrophobicContact CG-CB 4.46Å; F202-F253 HydrophobicContact CG-CD2 4.49Å
203T91.8Very high90.3Very high0 Ų048.6 Ų48.60%028%0.28CS..EExtended strand (participates in β ladder)trans-123.5140.1172.4-63.60000108.8L159 A188 S190 V205 L245 E249 G250L159-T203 HydrophobicContact CD2-CG2 3.87Å; A188-T203 PolarHBondContact N-O 3.45Å; A188-T203 PolarHBondContact O-N 3.4Å; A188-T203 VanDerWaalsContact O-O 3.1Å; S190-T203 WeakPolarHBondContact CB-OG1 3.42Å; S190-T203 PolarHBondContact OG-OG1 2.69Å; T203-V205 HydrophobicContact CG2-CG1 4.26Å; T203-L245 HydrophobicContact CG2-CD2 3.96Å; T203-L245 HydrophobicContact CG2-CG 3.83Å; T203-E249 WeakPolarHBondContact OG1-CA 3.45Å; T203-G250 PolarHBondContact OG1-N 2.98Å
204A90.1Very high90.9Very high0 Ų046.3 Ų46.30%027%0.268CS..EExtended strand (participates in β ladder)trans-97137.8175.200000109F185 V186 I246 I255F185-A204 HydrophobicContact CE2-CB 3.55Å; F185-A204 HydrophobicContact CZ-CB 3.61Å; V186-A204 WeakPolarHBondContact O-CA 3.17Å; A204-I246 HydrophobicContact CB-CB 3.99Å; A204-I246 HydrophobicContact CB-CD1 4.3Å; A204-I246 HydrophobicContact CB-CG1 4.48Å; A204-I246 PolarHBondContact O-N 2.77Å; A204-I255 HydrophobicContact CB-CB 4.43Å; A204-I255 HydrophobicContact CB-CD1 4.5Å; A204-I255 HydrophobicContact CB-CG2 4.04Å
205V91.8Very high91.7Very high0 Ų045 Ų450%025%0.252CS..EExtended strand (participates in β ladder)trans-136.5152.8-179.1-61.70000111.3L159 L168 V186 T203 V207 V240 N244 L245L159-V205 HydrophobicContact CD1-CG1 4.25Å; L159-V205 HydrophobicContact CD2-CG1 3.63Å; L168-V205 HydrophobicContact CD2-CG2 4.49Å; V186-V205 HydrophobicContact CB-CG2 3.92Å; V186-V205 PolarHBondContact N-O 3.16Å; V186-V205 PolarHBondContact O-N 2.71Å; T203-V205 HydrophobicContact CG2-CG1 4.26Å; V205-V207 HydrophobicContact CG2-CG2 4.15Å; V205-V240 HydrophobicContact CB-CG1 3.92Å; V205-V240 HydrophobicContact CG1-CG1 4.05Å; V205-V240 HydrophobicContact CG2-CG1 4.37Å; V205-N244 WeakPolarHBondContact CA-O 3.46Å; V205-L245 HydrophobicContact CG1-CD1 3.85Å; V205-L245 HydrophobicContact CG1-CG 4.08Å
206V92Very high92.4Very high1 Ų143.3 Ų43.31%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-98.6130.2167.7-1730000109.6L124 Y128 W183 F184 N244 I246L124-V206 HydrophobicContact CD1-CG2 4.48Å; Y128-V206 HydrophobicContact CD1-CG1 3.79Å; Y128-V206 HydrophobicContact CD2-CB 4.44Å; Y128-V206 HydrophobicContact CD2-CG1 3.91Å; Y128-V206 HydrophobicContact CD2-CG2 4.5Å; Y128-V206 HydrophobicContact CE1-CG1 3.52Å; Y128-V206 HydrophobicContact CE2-CB 4.1Å; Y128-V206 HydrophobicContact CE2-CG1 3.64Å; Y128-V206 HydrophobicContact CG-CG1 3.98Å; Y128-V206 VanDerWaalsContact CZ-CG1 3.45Å; W183-V206 HydrophobicContact CB-CG1 4.21Å; W183-V206 HydrophobicContact CD2-CG1 4.36Å; W183-V206 HydrophobicContact CE3-CG1 3.86Å; F184-V206 CarbonylContact O-C 3.26Å; F184-V206 WeakPolarHBondContact O-CA 3.36Å; V206-N244 PolarHBondContact N-O 2.78Å; V206-N244 WeakPolarHBondContact O-CB 3.3Å; V206-N244 PolarHBondContact O-ND2 3.32Å; V206-I246 HydrophobicContact CG2-CD1 3.43Å; V206-I246 VanDerWaalsContact CG2-CD1 3.43Å; V206-I246 HydrophobicContact CG2-CG1 3.7Å
207V94.1Very high92.8Very high4 Ų444 Ų442%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-119.1123.9176.7-178.20000108.6L168 W183 F184 V186 V205 A211 V214 F235 V238 V240L168-V207 HydrophobicContact CD2-CG2 3.77Å; W183-V207 CarbonylContact C-O 3.51Å; W183-V207 VanDerWaalsContact CA-O 3.26Å; W183-V207 WeakPolarHBondContact CA-O 2.98Å; F184-V207 HydrophobicContact CB-CB 4.43Å; F184-V207 PolarHBondContact N-O 2.95Å; F184-V207 PolarHBondContact O-N 2.94Å; V186-V207 HydrophobicContact CG2-CB 4.41Å; V186-V207 HydrophobicContact CG2-CG2 3.87Å; V205-V207 HydrophobicContact CG2-CG2 4.15Å; V207-A211 HydrophobicContact CG1-CB 3.91Å; V207-V214 HydrophobicContact CG1-CG2 3.76Å; V207-F235 HydrophobicContact CB-CE1 4.38Å; V207-F235 HydrophobicContact CG1-CE1 4.18Å; V207-F235 HydrophobicContact CG2-CE1 4.4Å; V207-V238 HydrophobicContact CG1-CG1 3.83Å; V207-V240 HydrophobicContact CG2-CG2 4.1Å
208D94.3Very high93.3Very high34 Ų3448.1 Ų48.118%0.18225%0.251CS..EExtended strand (participates in β ladder)trans-61.2138.3171.7-72.4-53000109.4K127 Y128 R131 D210 A211K127-D208 IonicContact NZ-OD2 2.82Å; Y128-D208 WeakPolarHBondContact CE1-OD1 3.49Å; Y128-D208 PolarHBondContact OH-OD1 2.91Å; Y128-D208 PolarHBondContact OH-OD2 3.07Å; Y128-D208 VanDerWaalsContact OH-OD2 3.05Å; R131-D208 IonicContact CZ-OD1 2.78Å; R131-D208 IonicContact NH1-OD1 3.7Å; R131-D208 PolarHBondContact NH1-OD1 2.77Å; R131-D208 IonicContact NH2-OD1 3.69Å; D208-D210 PolarHBondContact O-N 2.98Å; D208-A211 WeakPolarHBondContact O-CB 3.23Å; D208-A211 PolarHBondContact O-N 3.09Å
209G93.8Very high93.9Very high6 Ų649.3 Ų49.36%0.06225%0.252CS..THydrogen-bonded Turntrans-70.6-15.2-167.300000114.7N182 R216N182-G209 WeakPolarHBondContact O-CA 3.49Å; N182-G209 PolarHBondContact O-N 3.31Å; G209-R216 PolarHBondContact O-NH2 2.92Å
210D95.3Very high94.5Very high146 Ų14648.9 Ų48.978%0.78125%0.245SC*.THydrogen-bonded Turntrans-101.84.5175.663.9-16.1000112.8D208 K212D208-D210 PolarHBondContact O-N 2.98Å; D210-K212 PolarHBondContact O-N 3.26Å
211A96.9Very high94.8Very high26 Ų2649.8 Ų49.822%0.21525%0.254CS..  trans-57.1133.9178.900000111V207 D208 G213 V214 V238V207-A211 HydrophobicContact CG1-CB 3.91Å; D208-A211 WeakPolarHBondContact O-CB 3.23Å; D208-A211 PolarHBondContact O-N 3.09Å; A211-G213 PolarHBondContact O-N 3.49Å; A211-V214 HydrophobicContact CB-CG2 3.99Å; A211-V214 WeakPolarHBondContact O-CB 3.44Å; A211-V214 WeakPolarHBondContact O-CG2 3.35Å; A211-V214 PolarHBondContact O-N 2.96Å; A211-V238 HydrophobicContact CB-CG1 4.21Å
212K97.7Very high95Very high199 Ų19951.9 Ų51.987%0.86527%0.265SS*.THydrogen-bonded Turntrans-56.6128.3178.1-175.8178.4178.9179.80110D210D210-K212 PolarHBondContact O-N 3.26Å
213G97.7Very high95Very high22 Ų2257.9 Ų57.923%0.22730%0.295CS..THydrogen-bonded Turntrans97.1-6.9-177.400000114.4A211 I215 E236 V238A211-G213 PolarHBondContact O-N 3.49Å; G213-I215 PolarHBondContact O-N 3.5Å; G213-E236 VanDerWaalsContact CA-O 3.23Å; G213-E236 WeakPolarHBondContact CA-O 3.21Å; G213-E236 PolarHBondContact O-N 2.82Å; G213-V238 WeakPolarHBondContact O-CG2 3.26Å
214V98.2Very high95.1Very high24 Ų2458.3 Ų58.315%0.14530%0.299CS..EExtended strand (participates in β ladder)trans-79.3114.2169.41790000109.1F184 V207 A211 I233 F235 V238F184-V214 HydrophobicContact CD2-CG1 4.45Å; F184-V214 HydrophobicContact CE2-CG1 3.81Å; F184-V214 HydrophobicContact CZ-CG1 4.4Å; V207-V214 HydrophobicContact CG1-CG2 3.76Å; A211-V214 HydrophobicContact CB-CG2 3.99Å; A211-V214 WeakPolarHBondContact O-CB 3.44Å; A211-V214 WeakPolarHBondContact O-CG2 3.35Å; A211-V214 PolarHBondContact O-N 2.96Å; V214-I233 HydrophobicContact CG1-CG2 4.25Å; V214-F235 HydrophobicContact CG2-CD1 3.97Å; V214-F235 HydrophobicContact CG2-CE1 4.04Å; V214-V238 HydrophobicContact CG2-CG1 4.37Å; V214-V238 HydrophobicContact CG2-CG2 3.99Å
215I98Very high95.3Very high74 Ų7459 Ų5938%0.37930%0.302SS..EExtended strand (participates in β ladder)trans-113118.3-179.8-57.4170.3000108.5G213 T234 E236G213-I215 PolarHBondContact O-N 3.5Å; I215-T234 PolarHBondContact N-O 3.4Å; I215-T234 PolarHBondContact O-N 2.97Å; I215-E236 HydrophobicContact CD1-CG 3.93Å; I215-E236 WeakPolarHBondContact CD1-OE1 3.33Å; I215-E236 WeakPolarHBondContact CD1-OE2 3.49Å
216R97.8Very high95.5Very high80 Ų8063 Ų6330%0.30232%0.317SS..EExtended strand (participates in β ladder)trans-88.6120.8176.9-58.4177.5-169.7-136.9-9.2109.3G178 G179 A181 G209 I233G178-R216 WeakPolarHBondContact O-CD 3.27Å; G178-R216 PolarHBondContact O-NH1 3.49Å; G179-R216 PolarHBondContact O-NH1 2.86Å; A181-R216 PolarHBondContact O-NH1 3.27Å; A181-R216 PolarHBondContact O-NH2 2.92Å; G209-R216 PolarHBondContact O-NH2 2.92Å; R216-I233 HydrophobicContact CB-CD1 4.27Å; R216-I233 HydrophobicContact CG-CD1 4.09Å
217G96.5Very high95.7Very high25 Ų2563 Ų6326%0.25832%0.318SS..EExtended strand (participates in β ladder)trans-67.2179.2175.200000113R231 A232G217-R231 VanDerWaalsContact O-CD 3.28Å; G217-R231 WeakPolarHBondContact O-CD 3.45Å; G217-R231 PolarHBondContact O-NH1 3.45Å; G217-A232 WeakPolarHBondContact CA-O 3.34Å; G217-A232 PolarHBondContact N-O 3.09Å
218K96.7Very high95.6Very high163 Ų16363 Ų6371%0.70932%0.318SS*.EExtended strand (participates in β ladder)trans-64.4154169.967177.5-177.2176.30110.6
219K96.5Very high95.7Very high50 Ų5061.3 Ų61.322%0.21731%0.309CS..EExtended strand (participates in β ladder)trans-65.6132.1169.9-179166.6178.8-93.50109.8G46 R226G46-K219 VanDerWaalsContact O-CE 3.29Å; G46-K219 WeakPolarHBondContact O-CE 3.3Å; G46-K219 PolarHBondContact O-NZ 3.34Å; K219-R226 WeakPolarHBondContact CE-O 3.31Å; K219-R226 PolarHBondContact NZ-O 2.89Å
220E95.7Very high95.8Very high39 Ų3961.7 Ų61.718%0.18231%0.31CS..PPolyproline II helixtrans-73.6142.6174.8-62.4-57.1154.800111W174 N222 T230W174-E220 HydrophobicContact CE3-CG 4.34Å; W174-E220 HydrophobicContact CZ3-CB 4.38Å; W174-E220 HydrophobicContact CZ3-CG 3.98Å; E220-N222 PolarHBondContact O-N 3.22Å; E220-T230 PolarHBondContact N-O 3.04Å
221I93.9Very high95.8Very high152 Ų15257 Ų5778%0.77928%0.281SS*.  trans-97.490.8176.6-51.8-57.5000108.3
222N94.1Very high95.9Very high45 Ų4556.4 Ų56.424%0.24128%0.277CS..  trans-84.5157.5-175.6-64.7-31.2000112.5E220 G224 T230E220-N222 PolarHBondContact O-N 3.22Å; N222-G224 WeakPolarHBondContact CB-O 3.35Å; N222-T230 PolarHBondContact ND2-OG1 3.02Å
223M93.2Very high95.9Very high125 Ų12547 Ų4762%0.61624%0.235SC*.SBendtrans-58.5-50.3174.3173.9-179.9-8100111.8R226 R390 K393M223-R226 PolarHBondContact O-NE 2.84Å; M223-R390 HydrophobicContact CG-CB 4.06Å; M223-R390 HydrophobicContact CG-CG 4.15Å; M223-R390 WeakPolarHBondContact O-CD 3.22Å; M223-R390 PolarHBondContact O-NH1 3.2Å; M223-R390 VanDerWaalsContact O-NH1 3.15Å; M223-K393 HydrophobicContact SD-CB 4.34Å
224G93.7Very high95.9Very high9 Ų947.6 Ų47.69%0.09324%0.235CC..SBendtrans-129.7179.2178.100000111.6N222 R226 D391N222-G224 WeakPolarHBondContact CB-O 3.35Å; G224-R226 PolarHBondContact O-N 3.48Å; G224-D391 WeakPolarHBondContact CA-OD1 3.44Å
225Q94.5Very high95.9Very high14 Ų1446.5 Ų46.57%0.06523%0.228CC..  trans52.737.5-175.4-60.8-174.6-17.700112.6T96 C227 S228 D391 I394T96-Q225 PolarHBondContact OG1-NE2 2.92Å; T96-Q225 VanDerWaalsContact OG1-NE2 3.16Å; T96-Q225 PolarHBondContact OG1-OE1 3.4Å; Q225-C227 VanDerWaalsContact C-N 3.25Å; Q225-C227 PolarHBondContact O-N 2.94Å; Q225-C227 VanDerWaalsContact O-N 3.11Å; Q225-S228 WeakPolarHBondContact O-CB 3.48Å; Q225-S228 PolarHBondContact O-N 2.85Å; Q225-D391 PolarHBondContact N-OD1 2.9Å; Q225-I394 HydrophobicContact CG-CG2 4.32Å
226R95.6Very high96Very high84 Ų8448.2 Ų48.232%0.31724%0.235SC..THydrogen-bonded Turntrans-60-27.8-166.1-69.9179172.8167.6-0.4115.4D43 G46 K219 M223 G224 S228D43-R226 WeakPolarHBondContact O-CD 3.19Å; D43-R226 IonicContact OD2-NH1 3.38Å; D43-R226 PolarHBondContact OD2-NH1 3.38Å; G46-R226 WeakPolarHBondContact CA-O 3.45Å; K219-R226 WeakPolarHBondContact CE-O 3.31Å; K219-R226 PolarHBondContact NZ-O 2.89Å; M223-R226 PolarHBondContact O-NE 2.84Å; G224-R226 PolarHBondContact O-N 3.48Å; R226-S228 VanDerWaalsContact C-N 3.34Å
227C95.3Very high96Very high3 Ų349.8 Ų49.82%0.0225%0.249CC..THydrogen-bonded Turntrans-79.5-16.5176.665.20000113.5Y42 E47 G93 I94 Q225 D229Y42-C227 WeakPolarHBondContact O-CB 2.8Å; E47-C227 WeakPolarHBondContact O-CA 3.46Å; E47-C227 WeakPolarHBondContact O-CB 3.18Å; G93-C227 PolarHBondContact O-SG 3.48Å; I94-C227 PolarHBondContact N-SG 3.46Å; Q225-C227 VanDerWaalsContact C-N 3.25Å; Q225-C227 PolarHBondContact O-N 2.94Å; Q225-C227 VanDerWaalsContact O-N 3.11Å; C227-D229 PolarHBondContact O-N 2.86Å
228S93Very high96Very high2 Ų248.7 Ų48.71%0.01424%0.237CC..SBendtrans-68.8130.6169.9-172.10000108.9T96 T176 Q225 R226 T230T96-S228 WeakPolarHBondContact CG2-OG 3.49Å; T176-S228 WeakPolarHBondContact CG2-OG 3.47Å; Q225-S228 WeakPolarHBondContact O-CB 3.48Å; Q225-S228 PolarHBondContact O-N 2.85Å; R226-S228 VanDerWaalsContact C-N 3.34Å; S228-T230 PolarHBondContact O-N 2.81Å
229D95.3Very high96.1Very high0 Ų046.7 Ų46.70%023%0.233CC..  trans-81.8116.1177.5-176.390.3000109.1Y48 T176 N177 G179 Y180 C227 R231Y48-D229 HydrophobicContact CD2-CB 3.85Å; Y48-D229 HydrophobicContact CE2-CB 4.22Å; T176-D229 CarbonylContact C-O 3.5Å; T176-D229 WeakPolarHBondContact CA-O 3.47Å; N177-D229 PolarHBondContact N-O 3.45Å; G179-D229 WeakPolarHBondContact CA-OD2 3.45Å; G179-D229 PolarHBondContact N-OD2 2.92Å; Y180-D229 HydrophobicContact CD2-CB 3.87Å; Y180-D229 HydrophobicContact CE2-CB 3.86Å; C227-D229 PolarHBondContact O-N 2.86Å; D229-R231 VanDerWaalsContact CG-NE 3.31Å; D229-R231 IonicContact OD1-CZ 4Å; D229-R231 VanDerWaalsContact OD1-CZ 3.28Å; D229-R231 IonicContact OD1-NE 3.19Å; D229-R231 PolarHBondContact OD1-NE 3.23Å; D229-R231 IonicContact OD1-NH2 3.47Å; D229-R231 PolarHBondContact OD1-NH2 3.31Å; D229-R231 WeakPolarHBondContact OD2-CD 3.09Å; D229-R231 WeakPolarHBondContact OD2-CG 3.38Å; D229-R231 IonicContact OD2-NE 3.4Å; D229-R231 PolarHBondContact OD2-NE 2.68Å
230T95.7Very high96Very high13 Ų1344.4 Ų44.48%0.0822%0.223CC..EExtended strand (participates in β ladder)trans-121.9131.3174.7-54.40000108.9W174 I175 E220 N222 S228W174-T230 HydrophobicContact CB-CG2 4.4Å; W174-T230 HydrophobicContact CE3-CG2 4.23Å; I175-T230 WeakPolarHBondContact O-CA 3.43Å; E220-T230 PolarHBondContact N-O 3.04Å; N222-T230 PolarHBondContact ND2-OG1 3.02Å; S228-T230 PolarHBondContact O-N 2.81Å
231R96.9Very high95.9Very high48 Ų4844.3 Ų44.318%0.18123%0.226CC..EExtended strand (participates in β ladder)trans-142.5160.3-175.2-63.6-175.9-176.2-127.33.8113.4W174 I175 G179 G217 D229 I233W174-R231 PolarHBondContact N-O 3.45Å; I175-R231 WeakPolarHBondContact CB-O 2.83Å; I175-R231 PolarHBondContact N-O 3.44Å; I175-R231 PolarHBondContact O-N 3.22Å; G179-R231 VanDerWaalsContact CA-CD 3.48Å; G179-R231 VanDerWaalsContact CA-NE 3.27Å; G217-R231 VanDerWaalsContact O-CD 3.28Å; G217-R231 WeakPolarHBondContact O-CD 3.45Å; G217-R231 PolarHBondContact O-NH1 3.45Å; D229-R231 VanDerWaalsContact CG-NE 3.31Å; D229-R231 IonicContact OD1-CZ 4Å; D229-R231 VanDerWaalsContact OD1-CZ 3.28Å; D229-R231 IonicContact OD1-NE 3.19Å; D229-R231 PolarHBondContact OD1-NE 3.23Å; D229-R231 IonicContact OD1-NH2 3.47Å; D229-R231 PolarHBondContact OD1-NH2 3.31Å; D229-R231 WeakPolarHBondContact OD2-CD 3.09Å; D229-R231 WeakPolarHBondContact OD2-CG 3.38Å; D229-R231 IonicContact OD2-NE 3.4Å; D229-R231 PolarHBondContact OD2-NE 2.68Å; R231-I233 HydrophobicContact CB-CD1 4.17Å
232A97.5Very high95.7Very high14 Ų1443.6 Ų43.612%0.11622%0.217CC..EExtended strand (participates in β ladder)trans-73.7139.9153.100000110K172 M173 G217K172-A232 CarbonylContact O-C 3.58Å; K172-A232 VanDerWaalsContact O-CA 3.26Å; K172-A232 WeakPolarHBondContact O-CA 3.49Å; M173-A232 HydrophobicContact SD-CB 3.76Å; G217-A232 WeakPolarHBondContact CA-O 3.34Å; G217-A232 PolarHBondContact N-O 3.09Å
233I98.1Very high95.5Very high0 Ų046.2 Ų46.20%023%0.228CC..EExtended strand (participates in β ladder)trans-125.9120174.6-53.9-65000108.2K172 I175 F184 V214 R216 R231 F235K172-I233 HydrophobicContact CB-CB 4.42Å; K172-I233 PolarHBondContact N-O 2.84Å; K172-I233 PolarHBondContact O-N 2.9Å; I175-I233 HydrophobicContact CB-CG1 3.86Å; I175-I233 HydrophobicContact CG1-CB 4.46Å; I175-I233 HydrophobicContact CG1-CG1 3.96Å; I175-I233 HydrophobicContact CG2-CG1 4.02Å; F184-I233 HydrophobicContact CE1-CD1 4.12Å; F184-I233 HydrophobicContact CE1-CG1 4.09Å; F184-I233 HydrophobicContact CE1-CG2 4.31Å; F184-I233 HydrophobicContact CZ-CD1 4.21Å; F184-I233 HydrophobicContact CZ-CG2 4.36Å; V214-I233 HydrophobicContact CG1-CG2 4.25Å; R216-I233 HydrophobicContact CB-CD1 4.27Å; R216-I233 HydrophobicContact CG-CD1 4.09Å; R231-I233 HydrophobicContact CB-CD1 4.17Å; I233-F235 HydrophobicContact CB-CE2 4.35Å; I233-F235 HydrophobicContact CG2-CD2 4.45Å; I233-F235 HydrophobicContact CG2-CE1 4.24Å; I233-F235 HydrophobicContact CG2-CE2 3.72Å; I233-F235 HydrophobicContact CG2-CZ 3.59Å
234T98.4Very high95.3Very high36 Ų3640.6 Ų40.622%0.22120%0.201CC..EExtended strand (participates in β ladder)trans-104.8136.9177.4-54.50000109.2I215 E236I215-T234 PolarHBondContact N-O 3.4Å; I215-T234 PolarHBondContact O-N 2.97Å; T234-E236 HydrophobicContact CG2-CG 3.92Å
235F98.5Very high95.2Very high1 Ų140.9 Ų40.90%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-112115.2172.7-57.3-90.2000107.2L168 N169 G170 K172 V186 V207 V214 I233 V238L168-F235 HydrophobicContact CD2-CB 4.04Å; L168-F235 HydrophobicContact CD2-CD1 3.5Å; L168-F235 HydrophobicContact CD2-CD2 4.32Å; L168-F235 HydrophobicContact CD2-CE1 4.02Å; L168-F235 HydrophobicContact CD2-CG 3.68Å; L168-F235 HydrophobicContact CG-CB 3.92Å; L168-F235 HydrophobicContact CG-CD1 4.34Å; L168-F235 HydrophobicContact CG-CG 4.08Å; N169-F235 VanDerWaalsContact CA-O 3.32Å; N169-F235 WeakPolarHBondContact CA-O 3.47Å; G170-F235 PolarHBondContact N-O 3Å; G170-F235 PolarHBondContact O-N 2.94Å; K172-F235 HydrophobicContact CB-CE2 4.47Å; K172-F235 HydrophobicContact CG-CD2 4.37Å; K172-F235 HydrophobicContact CG-CE2 3.81Å; V186-F235 HydrophobicContact CG1-CE2 4.18Å; V186-F235 HydrophobicContact CG1-CZ 4.34Å; V186-F235 HydrophobicContact CG2-CE1 3.9Å; V186-F235 HydrophobicContact CG2-CE2 4.22Å; V186-F235 HydrophobicContact CG2-CZ 3.54Å; V207-F235 HydrophobicContact CB-CE1 4.38Å; V207-F235 HydrophobicContact CG1-CE1 4.18Å; V207-F235 HydrophobicContact CG2-CE1 4.4Å; V214-F235 HydrophobicContact CG2-CD1 3.97Å; V214-F235 HydrophobicContact CG2-CE1 4.04Å; I233-F235 HydrophobicContact CB-CE2 4.35Å; I233-F235 HydrophobicContact CG2-CD2 4.45Å; I233-F235 HydrophobicContact CG2-CE1 4.24Å; I233-F235 HydrophobicContact CG2-CE2 3.72Å; I233-F235 HydrophobicContact CG2-CZ 3.59Å; F235-V238 HydrophobicContact CB-CG2 3.95Å; F235-V238 HydrophobicContact CD1-CG2 4.09Å
236E98.1Very high94.7Very high110 Ų11040.4 Ų40.451%0.51420%0.198SC..EExtended strand (participates in β ladder)trans-115.5109.3176.9-65.5-174.8179.800109.7G213 I215 T234 V238G213-E236 VanDerWaalsContact CA-O 3.23Å; G213-E236 WeakPolarHBondContact CA-O 3.21Å; G213-E236 PolarHBondContact O-N 2.82Å; I215-E236 HydrophobicContact CD1-CG 3.93Å; I215-E236 WeakPolarHBondContact CD1-OE1 3.33Å; I215-E236 WeakPolarHBondContact CD1-OE2 3.49Å; T234-E236 HydrophobicContact CG2-CG 3.92Å; E236-V238 PolarHBondContact O-N 2.86Å; E236-V238 VanDerWaalsContact O-N 3.07Å
237D97.8Very high94.1Very high113 Ų11337.1 Ų37.160%0.60419%0.19SC*.EExtended strand (participates in β ladder)trans48.736.3-179.8-66.7-40000114.6V167 N169 I239V167-D237 HydrophobicContact CG1-CB 4.22Å; N169-D237 PolarHBondContact ND2-OD1 2.69Å; N169-D237 PolarHBondContact OD1-N 2.67Å; D237-I239 PolarHBondContact O-N 3.06Å
238V98.2Very high93.6Very high1 Ų143.4 Ų43.41%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-69.7119.8-179.2176.10000109.2V167 L168 V207 A211 G213 V214 F235 E236 V240V167-V238 WeakPolarHBondContact CA-O 3.31Å; L168-V238 HydrophobicContact CB-CB 4.21Å; L168-V238 PolarHBondContact N-O 2.85Å; L168-V238 PolarHBondContact O-N 2.85Å; L168-V238 VanDerWaalsContact O-N 3.14Å; V207-V238 HydrophobicContact CG1-CG1 3.83Å; A211-V238 HydrophobicContact CB-CG1 4.21Å; G213-V238 WeakPolarHBondContact O-CG2 3.26Å; V214-V238 HydrophobicContact CG2-CG1 4.37Å; V214-V238 HydrophobicContact CG2-CG2 3.99Å; F235-V238 HydrophobicContact CB-CG2 3.95Å; F235-V238 HydrophobicContact CD1-CG2 4.09Å; E236-V238 PolarHBondContact O-N 2.86Å; E236-V238 VanDerWaalsContact O-N 3.07Å; V238-V240 HydrophobicContact CG1-CG2 4.3Å; V238-V240 PolarHBondContact O-N 3.29Å
239I97.6Very high93.3Very high121 Ų12147.7 Ų47.762%0.62124%0.239SC*.EExtended strand (participates in β ladder)trans-79.1119.7177.8-58.6175.3000108.8Y166 D237Y166-I239 WeakPolarHBondContact O-CA 3.46Å; D237-I239 PolarHBondContact O-N 3.06Å
240V95Very high92.9Very high2 Ų248 Ų481%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-111.5113177.8-176.70000108.8L159 Y166 L168 V205 V207 V238 N244L159-V240 HydrophobicContact CD1-CB 4.49Å; L159-V240 HydrophobicContact CD1-CG2 4.41Å; Y166-V240 PolarHBondContact N-O 2.94Å; Y166-V240 PolarHBondContact O-N 2.89Å; L168-V240 HydrophobicContact CB-CG2 3.87Å; L168-V240 HydrophobicContact CD2-CG2 4.34Å; V205-V240 HydrophobicContact CB-CG1 3.92Å; V205-V240 HydrophobicContact CG1-CG1 4.05Å; V205-V240 HydrophobicContact CG2-CG1 4.37Å; V207-V240 HydrophobicContact CG2-CG2 4.1Å; V238-V240 HydrophobicContact CG1-CG2 4.3Å; V238-V240 PolarHBondContact O-N 3.29Å; V240-N244 HydrophobicContact CG1-CB 3.88Å
241P92.7Very high92.3Very high38 Ų3849.7 Ų49.725%0.24725%0.249CC..EExtended strand (participates in β ladder)trans-59.1152.4174.9-23.934.3000112.1E243 N244P241-E243 VanDerWaalsContact CB-CD 3.49Å; P241-E243 HydrophobicContact CB-CG 4.07Å; P241-E243 WeakPolarHBondContact CB-OE2 3.32Å; P241-E243 PolarHBondContact O-N 3.2Å; P241-N244 WeakPolarHBondContact O-CB 3.42Å; P241-N244 PolarHBondContact O-N 3.48Å
242K90.4Very high91.7Very high136 Ų13647.4 Ų47.459%0.59124%0.241SC*.G310 helixtrans-60.3-34177.5-175.9-179.7177.3-170.80112.1N164 Y166 N244 L245N164-K242 WeakPolarHBondContact O-CB 3.3Å; Y166-K242 HydrophobicContact CE2-CB 4.39Å; Y166-K242 HydrophobicContact CE2-CG 4.39Å; K242-N244 PolarHBondContact O-N 2.86Å; K242-L245 PolarHBondContact O-N 2.79Å
243E88.7Confident91Very high100 Ų10048.3 Ų48.347%0.46724%0.242SC..G310 helixtrans-65.3-17.4177.663.8-101.2-148.600114.3N121 F123 L124 P241 L245N121-E243 PolarHBondContact ND2-O 3.32Å; F123-E243 HydrophobicContact CD1-CB 4.49Å; F123-E243 HydrophobicContact CE1-CB 4.37Å; F123-E243 HydrophobicContact CE1-CG 4.04Å; L124-E243 WeakPolarHBondContact CD1-O 3.45Å; L124-E243 WeakPolarHBondContact CD2-O 3.31Å; L124-E243 WeakPolarHBondContact CG-O 3.34Å; P241-E243 VanDerWaalsContact CB-CD 3.49Å; P241-E243 HydrophobicContact CB-CG 4.07Å; P241-E243 WeakPolarHBondContact CB-OE2 3.32Å; P241-E243 PolarHBondContact O-N 3.2Å; E243-L245 VanDerWaalsContact C-N 3.33Å
244N90.9Very high90Very high7 Ų751.4 Ų51.44%0.03726%0.256CS..G310 helixtrans-872179.3-81.434.9000113.7Y128 V205 V206 V240 P241 K242Y128-N244 PolarHBondContact OH-ND2 3.48Å; V205-N244 WeakPolarHBondContact CA-O 3.46Å; V206-N244 PolarHBondContact N-O 2.78Å; V206-N244 WeakPolarHBondContact O-CB 3.3Å; V206-N244 PolarHBondContact O-ND2 3.32Å; V240-N244 HydrophobicContact CG1-CB 3.88Å; P241-N244 WeakPolarHBondContact O-CB 3.42Å; P241-N244 PolarHBondContact O-N 3.48Å; K242-N244 PolarHBondContact O-N 2.86Å
245L90Very high89Confident15 Ų1550 Ų508%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-71.3135.4169.2-88.360.7000110.4L124 Y166 T203 V205 K242 E243L124-L245 VanDerWaalsContact CD1-O 3.27Å; L124-L245 WeakPolarHBondContact CD1-O 2.87Å; Y166-L245 HydrophobicContact CD2-CD1 3.56Å; Y166-L245 HydrophobicContact CE2-CD1 3.47Å; Y166-L245 VanDerWaalsContact CE2-CD1 3.47Å; Y166-L245 HydrophobicContact CE2-CD2 3.67Å; Y166-L245 HydrophobicContact CE2-CG 4.23Å; Y166-L245 HydrophobicContact CG-CD1 4.45Å; T203-L245 HydrophobicContact CG2-CD2 3.96Å; T203-L245 HydrophobicContact CG2-CG 3.83Å; V205-L245 HydrophobicContact CG1-CD1 3.85Å; V205-L245 HydrophobicContact CG1-CG 4.08Å; K242-L245 PolarHBondContact O-N 2.79Å; E243-L245 VanDerWaalsContact C-N 3.33Å
246I84.8Confident87.9Confident5 Ų550 Ų503%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-95.1105.3177.2-49.4178.1000106.6N108 L124 F185 A204 V206 I255N108-I246 WeakPolarHBondContact OD1-CD1 3.13Å; L124-I246 HydrophobicContact CD1-CG1 4.39Å; F185-I246 HydrophobicContact CD2-CD1 3.45Å; F185-I246 VanDerWaalsContact CD2-CD1 3.45Å; F185-I246 HydrophobicContact CE2-CD1 3.72Å; A204-I246 HydrophobicContact CB-CB 3.99Å; A204-I246 HydrophobicContact CB-CD1 4.3Å; A204-I246 HydrophobicContact CB-CG1 4.48Å; A204-I246 PolarHBondContact O-N 2.77Å; V206-I246 HydrophobicContact CG2-CD1 3.43Å; V206-I246 VanDerWaalsContact CG2-CD1 3.43Å; V206-I246 HydrophobicContact CG2-CG1 3.7Å; I246-I255 HydrophobicContact CG2-CD1 4.3Å; I246-I255 HydrophobicContact CG2-CG2 4.15Å; I246-I255 WeakPolarHBondContact O-CD1 3.46Å
247G82.7Confident86.6Confident15 Ų1545.4 Ų45.416%0.15523%0.225CC..SBendtrans69.4-158-169.500000113.1S119S119-G247 VanDerWaalsContact O-CA 3.28Å; S119-G247 WeakPolarHBondContact O-CA 3.27Å; S119-G247 PolarHBondContact O-N 2.74Å; S119-G247 WeakPolarHBondContact OG-CA 3.23Å
248E84.9Confident84.9Confident134 Ų13440.5 Ų40.563%0.62620%0.201SC*.SBendtrans-85.4159-178.8-63.6-177.7176.100112.7G250 M251E248-G250 PolarHBondContact O-N 3.4Å; E248-M251 HydrophobicContact CB-CG 4.07Å; E248-M251 WeakPolarHBondContact O-CB 3.09Å; E248-M251 PolarHBondContact O-N 3.44Å; E248-M251 VanDerWaalsContact O-N 3.08Å
249E86.9Confident82.9Confident93 Ų9340.6 Ų40.644%0.43520%0.202SC..THydrogen-bonded Turntrans-54.8133.6171.1-168.9177.7169.300110.7T203 M251T203-E249 WeakPolarHBondContact OG1-CA 3.45Å; E249-M251 VanDerWaalsContact C-N 3.29Å; E249-M251 PolarHBondContact O-N 3.45Å
250G87.3Confident80.8Confident5 Ų536.3 Ų36.35%0.05218%0.179CC..THydrogen-bonded Turntrans83.6-7.5-178.200000114.9S199 K200 F202 T203 E248S199-G250 CarbonylContact C-O 3.52Å; K200-G250 WeakPolarHBondContact CA-O 3.46Å; K200-G250 WeakPolarHBondContact O-CA 3.36Å; F202-G250 CarbonylContact O-C 3.51Å; F202-G250 WeakPolarHBondContact O-CA 3.13Å; F202-G250 PolarHBondContact O-N 3.44Å; T203-G250 PolarHBondContact OG1-N 2.98Å; E248-G250 PolarHBondContact O-N 3.4Å
251M83.6Confident78.5Confident49 Ų4937.6 Ų37.624%0.24119%0.186CC..  trans-85.3-7.8176.1-66.8-59111.900113.9F202 E248 E249 F253 K254 I255F202-M251 PolarHBondContact O-N 3.34Å; E248-M251 HydrophobicContact CB-CG 4.07Å; E248-M251 WeakPolarHBondContact O-CB 3.09Å; E248-M251 PolarHBondContact O-N 3.44Å; E248-M251 VanDerWaalsContact O-N 3.08Å; E249-M251 VanDerWaalsContact C-N 3.29Å; E249-M251 PolarHBondContact O-N 3.45Å; M251-F253 VanDerWaalsContact C-N 3.28Å; M251-F253 PolarHBondContact O-N 3.11Å; M251-K254 WeakPolarHBondContact O-CB 3.34Å; M251-K254 PolarHBondContact O-N 3.38Å; M251-K254 HydrophobicContact SD-CD 3.82Å; M251-I255 HydrophobicContact CB-CD1 4.02Å; M251-I255 WeakPolarHBondContact O-CG1 3.43Å; M251-I255 PolarHBondContact O-N 3.29Å
252G83.8Confident75.8Confident0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-55.9-38-17400000114L187 F202 K254 I255 A256L187-G252 VanDerWaalsContact CD1-C 3.41Å; L187-G252 WeakPolarHBondContact CD1-O 3.49Å; F202-G252 VanDerWaalsContact O-CA 3.32Å; F202-G252 WeakPolarHBondContact O-CA 3.48Å; F202-G252 PolarHBondContact O-N 2.87Å; G252-K254 PolarHBondContact O-N 3.03Å; G252-I255 PolarHBondContact O-N 3.11Å; G252-A256 VanDerWaalsContact O-CB 3.31Å; G252-A256 WeakPolarHBondContact O-CB 3.39Å; G252-A256 PolarHBondContact O-N 3.28Å
253F82.2Confident72.8Confident34 Ų3440.7 Ų40.715%0.14920%0.201CC..Hα-helixtrans-64.8-41.1177.2-167.2-96.8000111.9V152 A153 A198 F202 M251 I255 M257V152-F253 HydrophobicContact CB-CE2 4.28Å; V152-F253 HydrophobicContact CG1-CE2 4.13Å; A153-F253 HydrophobicContact CB-CE2 4.14Å; A153-F253 HydrophobicContact CB-CZ 4.46Å; A198-F253 HydrophobicContact CB-CD1 4.14Å; A198-F253 HydrophobicContact CB-CD2 3.99Å; A198-F253 HydrophobicContact CB-CE1 4.06Å; A198-F253 HydrophobicContact CB-CE2 3.92Å; A198-F253 HydrophobicContact CB-CG 4.1Å; A198-F253 HydrophobicContact CB-CZ 3.96Å; A198-F253 WeakPolarHBondContact O-CB 3.23Å; A198-F253 WeakPolarHBondContact O-CG 3.37Å; F202-F253 HydrophobicContact CB-CB 4.19Å; F202-F253 HydrophobicContact CD2-CB 3.93Å; F202-F253 AromaticContact CD2-CD2 3.66Å; F202-F253 HydrophobicContact CD2-CD2 3.66Å; F202-F253 HydrophobicContact CD2-CG 4.17Å; F202-F253 AromaticContact CE2-CD2 3.9Å; F202-F253 HydrophobicContact CE2-CD2 3.9Å; F202-F253 HydrophobicContact CE2-CE2 4.47Å; F202-F253 HydrophobicContact CG-CB 4.46Å; F202-F253 HydrophobicContact CG-CD2 4.49Å; M251-F253 VanDerWaalsContact C-N 3.28Å; M251-F253 PolarHBondContact O-N 3.11Å; F253-I255 VanDerWaalsContact C-N 3.31Å; F253-I255 PolarHBondContact O-N 3.03Å; F253-M257 HydrophobicContact CD1-CG 3.86Å; F253-M257 HydrophobicContact CD2-CG 4.38Å; F253-M257 HydrophobicContact CE1-CG 3.54Å; F253-M257 HydrophobicContact CE2-CG 4.1Å; F253-M257 HydrophobicContact CG-CG 4.27Å; F253-M257 HydrophobicContact CZ-CG 3.67Å; F253-M257 HydrophobicContact CZ-SD 4.2Å; F253-M257 WeakPolarHBondContact O-CB 3.12Å; F253-M257 WeakPolarHBondContact O-CG 3.37Å; F253-M257 PolarHBondContact O-N 2.66Å
254K77.8Confident70.6Confident65 Ų6537.6 Ų37.628%0.28319%0.185SC..Hα-helixtrans-67.9-35178.1-64.7177.9-175.1168.80111.8M251 G252 G258M251-K254 WeakPolarHBondContact O-CB 3.34Å; M251-K254 PolarHBondContact O-N 3.38Å; M251-K254 HydrophobicContact SD-CD 3.82Å; G252-K254 PolarHBondContact O-N 3.03Å; K254-G258 PolarHBondContact O-N 2.8Å
255I77.1Confident67.9Low6 Ų638.6 Ų38.63%0.03119%0.192CC..Hα-helixtrans-69.6-53.2178-68.6171000109.7A107 I117 F185 A204 I246 M251 G252 F253 M257 G258A107-I255 WeakPolarHBondContact O-CG2 3.43Å; I117-I255 HydrophobicContact CD1-CG1 4.49Å; F185-I255 HydrophobicContact CE2-CG2 3.95Å; F185-I255 HydrophobicContact CZ-CG2 4.23Å; A204-I255 HydrophobicContact CB-CB 4.43Å; A204-I255 HydrophobicContact CB-CD1 4.5Å; A204-I255 HydrophobicContact CB-CG2 4.04Å; I246-I255 HydrophobicContact CG2-CD1 4.3Å; I246-I255 HydrophobicContact CG2-CG2 4.15Å; I246-I255 WeakPolarHBondContact O-CD1 3.46Å; M251-I255 HydrophobicContact CB-CD1 4.02Å; M251-I255 WeakPolarHBondContact O-CG1 3.43Å; M251-I255 PolarHBondContact O-N 3.29Å; G252-I255 PolarHBondContact O-N 3.11Å; F253-I255 VanDerWaalsContact C-N 3.31Å; F253-I255 PolarHBondContact O-N 3.03Å; I255-M257 PolarHBondContact O-N 3.17Å; I255-G258 PolarHBondContact O-N 3.48Å
256A75.4Confident65.4Low0 Ų039.4 Ų39.40%019%0.194CC..Hα-helixtrans-61.8-43.6177.700000112.2Y141 V143 F185 L187 G252 G258 A259 F260Y141-A256 VanDerWaalsContact OH-CA 3.3Å; Y141-A256 WeakPolarHBondContact OH-CA 3.29Å; Y141-A256 WeakPolarHBondContact OH-CB 3.31Å; Y141-A256 PolarHBondContact OH-O 3.08Å; V143-A256 HydrophobicContact CG2-CB 4.28Å; F185-A256 HydrophobicContact CE1-CB 4.22Å; F185-A256 HydrophobicContact CZ-CB 4.07Å; L187-A256 HydrophobicContact CB-CB 4.5Å; L187-A256 HydrophobicContact CD1-CB 3.93Å; L187-A256 HydrophobicContact CD2-CB 3.88Å; L187-A256 HydrophobicContact CG-CB 4.33Å; G252-A256 VanDerWaalsContact O-CB 3.31Å; G252-A256 WeakPolarHBondContact O-CB 3.39Å; G252-A256 PolarHBondContact O-N 3.28Å; A256-G258 PolarHBondContact O-N 2.92Å; A256-A259 WeakPolarHBondContact O-CB 3.27Å; A256-A259 PolarHBondContact O-N 3.27Å; A256-A259 VanDerWaalsContact O-N 3.14Å; A256-F260 WeakPolarHBondContact O-CD2 3.41Å
257M70.3Confident63.6Low14 Ų1439.2 Ų39.27%0.06919%0.194CC..Hα-helixtrans-74.5-13.6176-67.4-53.290.200112.9V152 F253 I255 A259 F260 D261V152-M257 HydrophobicContact CB-CE 4Å; V152-M257 HydrophobicContact CB-SD 4.41Å; V152-M257 HydrophobicContact CG1-CE 3.7Å; V152-M257 HydrophobicContact CG2-CE 3.95Å; F253-M257 HydrophobicContact CD1-CG 3.86Å; F253-M257 HydrophobicContact CD2-CG 4.38Å; F253-M257 HydrophobicContact CE1-CG 3.54Å; F253-M257 HydrophobicContact CE2-CG 4.1Å; F253-M257 HydrophobicContact CG-CG 4.27Å; F253-M257 HydrophobicContact CZ-CG 3.67Å; F253-M257 HydrophobicContact CZ-SD 4.2Å; F253-M257 WeakPolarHBondContact O-CB 3.12Å; F253-M257 WeakPolarHBondContact O-CG 3.37Å; F253-M257 PolarHBondContact O-N 2.66Å; I255-M257 PolarHBondContact O-N 3.17Å; M257-A259 PolarHBondContact O-N 3.07Å; M257-F260 HydrophobicContact CE-CB 4.41Å; M257-F260 HydrophobicContact CE-CD2 3.77Å; M257-F260 PolarHBondContact O-N 3.43Å; M257-F260 VanDerWaalsContact O-N 3.13Å; M257-D261 HydrophobicContact CB-CB 3.93Å; M257-D261 HydrophobicContact CG-CB 4.13Å; M257-D261 PolarHBondContact O-N 3.42Å; M257-D261 HydrophobicContact SD-CB 3.64Å
258G62.5Low62.1Low10 Ų1039 Ų3910%0.10319%0.191CC..Hα-helixtrans-59.6-33.7165.800000111.4K254 I255 A256K254-G258 PolarHBondContact O-N 2.8Å; I255-G258 PolarHBondContact O-N 3.48Å; A256-G258 PolarHBondContact O-N 2.92Å
259A56.5Low60.7Low3 Ų332.7 Ų32.73%0.02516%0.162CC..Hα-helixtrans-74.2-26.6174.100000113.5A107 A256 M257 V269A107-A259 HydrophobicContact CB-CB 4.28Å; A256-A259 WeakPolarHBondContact O-CB 3.27Å; A256-A259 PolarHBondContact O-N 3.27Å; A256-A259 VanDerWaalsContact O-N 3.14Å; M257-A259 PolarHBondContact O-N 3.07Å; A259-V269 HydrophobicContact CB-CG2 4.06Å; A259-V269 WeakPolarHBondContact O-CB 3.2Å; A259-V269 WeakPolarHBondContact O-CG2 3.45Å
260F54.1Low59.4Low32 Ų3228.4 Ų28.414%0.1414%0.142CC..Hα-helixtrans-128-17.7-169.8-56.7-67.2000118.3Y141 A256 M257 F270 E399Y141-F260 HydrophobicContact CD1-CE2 4.22Å; Y141-F260 AromaticContact CD1-CZ 3.9Å; Y141-F260 HydrophobicContact CD1-CZ 3.9Å; Y141-F260 HydrophobicContact CE1-CD2 4.48Å; Y141-F260 AromaticContact CE1-CE2 3.2Å; Y141-F260 HydrophobicContact CE1-CE2 3.2Å; Y141-F260 AromaticContact CE1-CZ 3.32Å; Y141-F260 HydrophobicContact CE1-CZ 3.32Å; Y141-F260 AromaticContact CZ-CE2 3.54Å; Y141-F260 AromaticContact CZ-CZ 3.97Å; Y141-F260 VanDerWaalsContact OH-CE2 3.29Å; Y141-F260 WeakPolarHBondContact OH-CE2 3.29Å; A256-F260 WeakPolarHBondContact O-CD2 3.41Å; M257-F260 HydrophobicContact CE-CB 4.41Å; M257-F260 HydrophobicContact CE-CD2 3.77Å; M257-F260 PolarHBondContact O-N 3.43Å; M257-F260 VanDerWaalsContact O-N 3.13Å; F260-F270 HydrophobicContact CB-CE1 4.44Å; F260-F270 HydrophobicContact CB-CZ 4.32Å; F260-F270 HydrophobicContact CD1-CE1 4.16Å; F260-F270 WeakPolarHBondContact O-CE2 3.48Å; F260-F270 WeakPolarHBondContact O-CZ 3.32Å; F260-E399 HydrophobicContact CD1-CB 4.24Å; F260-E399 HydrophobicContact CE1-CB 3.93Å; F260-E399 HydrophobicContact CE1-CG 3.83Å
261D46.3Very low58.4Low29 Ų2928.2 Ų28.216%0.15514%0.14CC..  trans-150.3151.1-154.1-15920.1000119.3M257 T263M257-D261 HydrophobicContact CB-CB 3.93Å; M257-D261 HydrophobicContact CG-CB 4.13Å; M257-D261 PolarHBondContact O-N 3.42Å; M257-D261 HydrophobicContact SD-CB 3.64Å; D261-T263 PolarHBondContact O-N 3.4Å
262R36.7Very low58.2Low137 Ų13727.3 Ų27.352%0.51714%0.135SC..THydrogen-bonded Turntrans56.8-47.6142.3-111.4166.2133.6170.5-5.4123.6R338R262-R338 PolarHBondContact O-NH2 3.2Å; R262-R338 VanDerWaalsContact O-NH2 3.08Å
263T26.4Very low58.3Low102 Ų10227.6 Ų27.663%0.62614%0.136SC*.THydrogen-bonded Turntrans-136.71.9-156.946.20000115.5D261D261-T263 PolarHBondContact O-N 3.4Å
264R43.1Very low58.7Low35 Ų3526 Ų2613%0.13213%0.129CC..SBendtrans-137.7155.6-170.5-69.5-166.6169.6-166.9-7.3113.1M114 F266M114-R264 HydrophobicContact CE-CB 4.01Å; M114-R264 VanDerWaalsContact CE-CD 3.46Å; M114-R264 HydrophobicContact CE-CG 3.56Å; R264-F266 PolarHBondContact O-N 2.87Å
265P33.1Very low59.4Low28 Ų2822.9 Ų22.918%0.18212%0.116CC..SBendtrans-67.7-33.8-159.818.8-27.5000114.4M114 R338 N339M114-P265 HydrophobicContact CE-CG 4.34Å; P265-R338 HydrophobicContact CB-CB 3.98Å; P265-R338 CarbonylContact O-C 3.59Å; P265-R338 WeakPolarHBondContact O-CA 3.23Å; P265-N339 PolarHBondContact O-N 3.38Å
266F38.3Very low60.2Low31 Ų3122.7 Ų22.714%0.13612%0.115CC..  trans-115.7105.8-169.5-49.4-64.6000110.9M111 E113 R264 V333 G336 R337M111-F266 HydrophobicContact CE-CB 4.18Å; M111-F266 HydrophobicContact CE-CD2 3.71Å; M111-F266 HydrophobicContact CE-CG 4.44Å; E113-F266 HydrophobicContact CB-CE2 4.4Å; R264-F266 PolarHBondContact O-N 2.87Å; F266-V333 HydrophobicContact CB-CG1 4.11Å; F266-V333 HydrophobicContact CD1-CB 4.13Å; F266-V333 HydrophobicContact CD1-CG1 3.71Å; F266-V333 HydrophobicContact CD1-CG2 4.32Å; F266-V333 WeakPolarHBondContact CE1-O 3.14Å; F266-V333 HydrophobicContact CG-CG1 4.24Å; F266-G336 VanDerWaalsContact CZ-O 3.3Å; F266-G336 WeakPolarHBondContact CZ-O 3.43Å; F266-R337 WeakPolarHBondContact CE1-O 3.38Å
267V46.2Very low61.1Low2 Ų222.7 Ų22.71%0.01212%0.115CC..  trans-105.772170.6-172.60000107.5V269 F270 Q271 A343V267-V269 PolarHBondContact O-N 3.5Å; V267-F270 HydrophobicContact CB-CD2 4.32Å; V267-F270 HydrophobicContact CG1-CB 4.08Å; V267-F270 HydrophobicContact CG1-CD1 4.08Å; V267-F270 HydrophobicContact CG1-CD2 3.34Å; V267-F270 HydrophobicContact CG1-CE1 4.39Å; V267-F270 HydrophobicContact CG1-CE2 3.71Å; V267-F270 HydrophobicContact CG1-CG 3.56Å; V267-F270 HydrophobicContact CG1-CZ 4.25Å; V267-Q271 PolarHBondContact O-NE2 2.89Å; V267-Q271 PolarHBondContact O-OE1 3.21Å; V267-A343 HydrophobicContact CB-CB 4.29Å
268G51.8Low62.4Low9 Ų922 Ų229%0.09311%0.111CC..Hα-helixtrans-64-22.2-173.800000114.9Q271G268-Q271 PolarHBondContact O-OE1 3.48Å
269V54.6Low64Low3 Ų321.5 Ų21.52%0.01811%0.106CC..Hα-helixtrans-72.2-39.5-176.21780000112L103 L106 A259 V267 Q271 Q272 I273 E399L103-V269 HydrophobicContact CD2-CB 4.34Å; L103-V269 HydrophobicContact CD2-CG1 3.29Å; L103-V269 HydrophobicContact CD2-CG2 4.08Å; L106-V269 HydrophobicContact CB-CG2 4.12Å; L106-V269 HydrophobicContact CD1-CB 4.36Å; L106-V269 HydrophobicContact CD1-CG2 3.44Å; L106-V269 VanDerWaalsContact CD1-CG2 3.44Å; L106-V269 HydrophobicContact CG-CG2 4.42Å; A259-V269 HydrophobicContact CB-CG2 4.06Å; A259-V269 WeakPolarHBondContact O-CB 3.2Å; A259-V269 WeakPolarHBondContact O-CG2 3.45Å; V267-V269 PolarHBondContact O-N 3.5Å; V269-Q271 VanDerWaalsContact C-N 3.3Å; V269-Q271 PolarHBondContact O-N 3.2Å; V269-Q272 WeakPolarHBondContact O-CB 3.26Å; V269-Q272 PolarHBondContact O-N 3.15Å; V269-Q272 VanDerWaalsContact O-N 3.09Å; V269-I273 HydrophobicContact CG1-CD1 4.33Å; V269-I273 PolarHBondContact O-N 3.26Å; V269-I273 VanDerWaalsContact O-N 3.15Å; V269-E399 WeakPolarHBondContact CG1-OE2 3Å
270F60.2Low66Low3 Ų321.4 Ų21.41%0.01311%0.105CC..Hα-helixtrans-67.1-30.6-173.8-73.4-6.9000113.2F260 V267 I273 A274 A343 K347 E399 Q405F260-F270 HydrophobicContact CB-CE1 4.44Å; F260-F270 HydrophobicContact CB-CZ 4.32Å; F260-F270 HydrophobicContact CD1-CE1 4.16Å; F260-F270 WeakPolarHBondContact O-CE2 3.48Å; F260-F270 WeakPolarHBondContact O-CZ 3.32Å; V267-F270 HydrophobicContact CB-CD2 4.32Å; V267-F270 HydrophobicContact CG1-CB 4.08Å; V267-F270 HydrophobicContact CG1-CD1 4.08Å; V267-F270 HydrophobicContact CG1-CD2 3.34Å; V267-F270 HydrophobicContact CG1-CE1 4.39Å; V267-F270 HydrophobicContact CG1-CE2 3.71Å; V267-F270 HydrophobicContact CG1-CG 3.56Å; V267-F270 HydrophobicContact CG1-CZ 4.25Å; F270-I273 HydrophobicContact CD1-CD1 4.3Å; F270-A274 WeakPolarHBondContact O-CB 3.39Å; F270-A274 PolarHBondContact O-N 3.09Å; F270-A343 HydrophobicContact CB-CB 4.03Å; F270-A343 HydrophobicContact CD2-CB 4.24Å; F270-K347 HydrophobicContact CB-CB 4.28Å; F270-K347 HydrophobicContact CB-CG 4.49Å; F270-K347 HydrophobicContact CG-CG 4.45Å; F270-E399 WeakPolarHBondContact CE1-O 3.44Å; F270-Q405 VanDerWaalsContact CE2-NE2 3.34Å; F270-Q405 VanDerWaalsContact CE2-OE1 3.3Å
271Q66.6Low68Low1 Ų119.9 Ų19.91%0.00510%0.099CC..Hα-helixtrans-72.1-32.6174.5-50.381.54.700111.1V267 G268 V269 A274 A275 A329 A330 N339 A343V267-Q271 PolarHBondContact O-NE2 2.89Å; V267-Q271 PolarHBondContact O-OE1 3.21Å; G268-Q271 PolarHBondContact O-OE1 3.48Å; V269-Q271 VanDerWaalsContact C-N 3.3Å; V269-Q271 PolarHBondContact O-N 3.2Å; Q271-A274 PolarHBondContact O-N 3.33Å; Q271-A275 WeakPolarHBondContact O-CB 3.45Å; Q271-A275 PolarHBondContact O-N 3.18Å; Q271-A329 HydrophobicContact CG-CB 3.43Å; Q271-A329 VanDerWaalsContact CG-CB 3.43Å; Q271-A330 HydrophobicContact CB-CB 4.27Å; Q271-A330 HydrophobicContact CG-CB 4.33Å; Q271-N339 PolarHBondContact NE2-ND2 3.41Å; Q271-A343 VanDerWaalsContact NE2-CB 3.33Å
272Q78.4Confident70.4Confident30 Ų3021.2 Ų21.214%0.1410%0.102CC..Hα-helixtrans-65.2-42.7174.3-58-55.5-14.400111.4E65 S80 T84 V269 A275 G276E65-Q272 PolarHBondContact OE1-NE2 2.9Å; S80-Q272 PolarHBondContact O-OE1 2.88Å; T84-Q272 VanDerWaalsContact CG2-O 3.23Å; T84-Q272 WeakPolarHBondContact CG2-O 3.47Å; T84-Q272 PolarHBondContact OG1-OE1 2.83Å; V269-Q272 WeakPolarHBondContact O-CB 3.26Å; V269-Q272 PolarHBondContact O-N 3.15Å; V269-Q272 VanDerWaalsContact O-N 3.09Å; Q272-A275 PolarHBondContact O-N 2.79Å; Q272-G276 PolarHBondContact O-N 2.63Å
273I86.3Confident73.3Confident6 Ų615.5 Ų15.53%0.0318%0.08CC..Hα-helixtrans-62.1-46.6173.9-57.7175.9000110.7V269 F270 A275 G276 A277 K347 Y395 Y398 E399V269-I273 HydrophobicContact CG1-CD1 4.33Å; V269-I273 PolarHBondContact O-N 3.26Å; V269-I273 VanDerWaalsContact O-N 3.15Å; F270-I273 HydrophobicContact CD1-CD1 4.3Å; I273-A275 VanDerWaalsContact C-N 3.34Å; I273-A275 PolarHBondContact O-N 2.91Å; I273-G276 PolarHBondContact O-N 3.35Å; I273-A277 PolarHBondContact O-N 3.15Å; I273-K347 HydrophobicContact CG2-CG 4.47Å; I273-Y395 HydrophobicContact CG2-CD1 3.58Å; I273-Y395 HydrophobicContact CG2-CE1 4.11Å; I273-Y395 WeakPolarHBondContact O-CE1 3.26Å; I273-Y398 HydrophobicContact CG2-CE1 4.18Å; I273-E399 HydrophobicContact CD1-CB 3.34Å; I273-E399 HydrophobicContact CD1-CG 4.05Å; I273-E399 WeakPolarHBondContact CD1-OE2 3.4Å
274A91.1Very high76.6Confident0 Ų010.6 Ų10.60%05%0.05CC..Hα-helixtrans-62.1-42.3179.300000111.5F270 Q271 G276 A277 V278 T326 A346 A350F270-A274 WeakPolarHBondContact O-CB 3.39Å; F270-A274 PolarHBondContact O-N 3.09Å; Q271-A274 PolarHBondContact O-N 3.33Å; A274-G276 VanDerWaalsContact C-N 3.31Å; A274-G276 PolarHBondContact O-N 3.47Å; A274-A277 WeakPolarHBondContact O-CB 3.34Å; A274-A277 PolarHBondContact O-N 2.9Å; A274-V278 VanDerWaalsContact O-CG2 3.31Å; A274-V278 WeakPolarHBondContact O-CG2 3.25Å; A274-V278 PolarHBondContact O-N 3.3Å; A274-T326 HydrophobicContact CB-CG2 3.9Å; A274-T326 WeakPolarHBondContact CB-OG1 3.47Å; A274-A346 HydrophobicContact CB-CB 3.88Å; A274-A350 HydrophobicContact CB-CB 3.98Å
275A92.4Very high79.1Confident0 Ų010.2 Ų10.20%05%0.051CC..Hα-helixtrans-62.1-40.317500000111.5A81 T84 E85 Q271 Q272 I273 A277 V278 G279 T326A81-A275 HydrophobicContact CB-CB 4.08Å; A81-A275 WeakPolarHBondContact O-CB 3.25Å; T84-A275 HydrophobicContact CG2-CB 4.02Å; E85-A275 WeakPolarHBondContact CA-O 3.45Å; E85-A275 HydrophobicContact CB-CB 4.37Å; Q271-A275 WeakPolarHBondContact O-CB 3.45Å; Q271-A275 PolarHBondContact O-N 3.18Å; Q272-A275 PolarHBondContact O-N 2.79Å; I273-A275 VanDerWaalsContact C-N 3.34Å; I273-A275 PolarHBondContact O-N 2.91Å; A275-A277 VanDerWaalsContact C-N 3.34Å; A275-A277 PolarHBondContact O-N 3.45Å; A275-V278 PolarHBondContact O-N 2.93Å; A275-G279 PolarHBondContact O-N 3Å; A275-T326 HydrophobicContact CB-CG2 3.88Å
276G93.3Very high82Confident1 Ų110.7 Ų10.71%0.015%0.052CC..Hα-helixtrans-63.7-40.9174.900000112.8S88 Q272 I273 A274 G279 L280 Y395S88-G276 WeakPolarHBondContact CB-O 3.46Å; S88-G276 WeakPolarHBondContact OG-CA 3.5Å; Q272-G276 PolarHBondContact O-N 2.63Å; I273-G276 PolarHBondContact O-N 3.35Å; A274-G276 VanDerWaalsContact C-N 3.31Å; A274-G276 PolarHBondContact O-N 3.47Å; G276-G279 PolarHBondContact O-N 2.99Å; G276-L280 PolarHBondContact O-N 3.22Å; G276-Y395 PolarHBondContact O-OH 3.49Å
277A95.2Very high84.6Confident0 Ų010.9 Ų10.90%05%0.053CC..Hα-helixtrans-64.6-39.9174.100000112I273 A274 A275 L280 A281 A350 A354 Y395I273-A277 PolarHBondContact O-N 3.15Å; A274-A277 WeakPolarHBondContact O-CB 3.34Å; A274-A277 PolarHBondContact O-N 2.9Å; A275-A277 VanDerWaalsContact C-N 3.34Å; A275-A277 PolarHBondContact O-N 3.45Å; A277-L280 PolarHBondContact O-N 2.88Å; A277-A281 WeakPolarHBondContact O-CB 3.44Å; A277-A281 PolarHBondContact O-N 3.47Å; A277-A350 HydrophobicContact CB-CB 3.99Å; A277-A354 HydrophobicContact CB-CB 3.92Å; A277-A354 WeakPolarHBondContact O-CB 3.11Å; A277-Y395 HydrophobicContact CB-CD1 3.98Å; A277-Y395 HydrophobicContact CB-CD2 4.04Å; A277-Y395 HydrophobicContact CB-CE1 4.3Å; A277-Y395 HydrophobicContact CB-CE2 4.36Å; A277-Y395 HydrophobicContact CB-CG 3.85Å
278V97.2Very high86.8Confident0 Ų010.8 Ų10.80%05%0.052CC..Hα-helixtrans-61.9-46.1173.1174.30000110.8E85 A274 A275 L280 A281 W282 A322 R323 A350E85-V278 VanDerWaalsContact CD-CG1 3.49Å; E85-V278 HydrophobicContact CG-CB 4.31Å; E85-V278 HydrophobicContact CG-CG1 3.94Å; E85-V278 WeakPolarHBondContact OE2-CG1 3.41Å; A274-V278 VanDerWaalsContact O-CG2 3.31Å; A274-V278 WeakPolarHBondContact O-CG2 3.25Å; A274-V278 PolarHBondContact O-N 3.3Å; A275-V278 PolarHBondContact O-N 2.93Å; V278-L280 VanDerWaalsContact C-N 3.34Å; V278-L280 PolarHBondContact O-N 3.37Å; V278-A281 PolarHBondContact O-N 3.25Å; V278-W282 VanDerWaalsContact O-CB 3.31Å; V278-W282 WeakPolarHBondContact O-CB 3.34Å; V278-W282 PolarHBondContact O-N 3.47Å; V278-A322 HydrophobicContact CG2-CB 3.75Å; V278-R323 HydrophobicContact CG1-CB 3.89Å; V278-R323 HydrophobicContact CG1-CG 4.46Å; V278-A350 HydrophobicContact CG2-CB 4.07Å
279G96.4Very high88.8Confident0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-59.5-43.7178.400000112.2E85 Y89 A275 G276 W282 R283E85-G279 WeakPolarHBondContact O-CA 3.39Å; Y89-G279 WeakPolarHBondContact CA-O 3.41Å; A275-G279 PolarHBondContact O-N 3Å; G276-G279 PolarHBondContact O-N 2.99Å; G279-W282 PolarHBondContact O-N 3.38Å; G279-R283 PolarHBondContact O-N 2.86Å
280L97.4Very high90.6Very high0 Ų016.8 Ų16.80%08%0.079CC..Hα-helixtrans-61.9-48.9173.3-174.4150.3000111.7T92 G276 A277 V278 W282 R283 C284 A354 A358 L388 D391 A392 Y395T92-L280 HydrophobicContact CG2-CB 3.8Å; T92-L280 HydrophobicContact CG2-CD1 3.65Å; T92-L280 HydrophobicContact CG2-CG 4.24Å; G276-L280 PolarHBondContact O-N 3.22Å; A277-L280 PolarHBondContact O-N 2.88Å; V278-L280 VanDerWaalsContact C-N 3.34Å; V278-L280 PolarHBondContact O-N 3.37Å; L280-W282 VanDerWaalsContact C-N 3.27Å; L280-W282 PolarHBondContact O-N 2.84Å; L280-R283 WeakPolarHBondContact O-CB 3.42Å; L280-R283 PolarHBondContact O-N 3.49Å; L280-R283 VanDerWaalsContact O-N 3.11Å; L280-C284 PolarHBondContact O-N 3.17Å; L280-C284 PolarHBondContact O-SG 3.05Å; L280-C284 VanDerWaalsContact O-SG 3.36Å; L280-A354 HydrophobicContact CD2-CB 4.17Å; L280-A358 HydrophobicContact CD2-CB 4.28Å; L280-L388 HydrophobicContact CD1-CD2 4.48Å; L280-L388 HydrophobicContact CG-CB 4.48Å; L280-L388 HydrophobicContact CG-CD2 4.15Å; L280-D391 HydrophobicContact CD1-CB 3.8Å; L280-A392 HydrophobicContact CD1-CB 4.13Å; L280-A392 HydrophobicContact CD2-CB 3.75Å; L280-Y395 HydrophobicContact CB-CE2 4.43Å; L280-Y395 HydrophobicContact CD1-CE2 4.06Å
281A97.1Very high92.1Very high0 Ų017.7 Ų17.70%08%0.083CC..Hα-helixtrans-60.6-39.9-179.600000111.6A277 V278 C284 L285 V319 V353 A354 C357A277-A281 WeakPolarHBondContact O-CB 3.44Å; A277-A281 PolarHBondContact O-N 3.47Å; V278-A281 PolarHBondContact O-N 3.25Å; A281-C284 WeakPolarHBondContact O-CB 3.48Å; A281-C284 PolarHBondContact O-N 2.95Å; A281-L285 PolarHBondContact O-N 3.48Å; A281-V319 HydrophobicContact CB-CG2 3.74Å; A281-V353 HydrophobicContact CB-CG1 4.09Å; A281-A354 HydrophobicContact CB-CB 4.38Å; A281-C357 HydrophobicContact CB-CB 4.12Å
282W97.6Very high93.2Very high58 Ų5817.8 Ų17.822%0.228%0.084CC..Hα-helixtrans-62-44.1174175.125.6000111.3L28 E85 Y89 V278 G279 L280 C284 L285 D286 V319L28-W282 HydrophobicContact CD1-CH2 3.66Å; L28-W282 HydrophobicContact CD1-CZ3 4Å; L28-W282 HydrophobicContact CD2-CH2 3.89Å; L28-W282 HydrophobicContact CG-CH2 4.43Å; E85-W282 HydrophobicContact CG-CE3 4.44Å; Y89-W282 HydrophobicContact CD2-CB 4.38Å; Y89-W282 AromaticContact CD2-CD2 3.48Å; Y89-W282 HydrophobicContact CD2-CD2 3.48Å; Y89-W282 VanDerWaalsContact CD2-CD2 3.48Å; Y89-W282 AromaticContact CD2-CE2 3.83Å; Y89-W282 AromaticContact CD2-CE3 3.65Å; Y89-W282 HydrophobicContact CD2-CE3 3.65Å; Y89-W282 AromaticContact CD2-CG 3.84Å; Y89-W282 HydrophobicContact CD2-CG 3.84Å; Y89-W282 HydrophobicContact CD2-CH2 4.46Å; Y89-W282 HydrophobicContact CD2-CZ2 4.32Å; Y89-W282 HydrophobicContact CD2-CZ3 4.14Å; Y89-W282 HydrophobicContact CE2-CD2 4.02Å; Y89-W282 AromaticContact CE2-CE2 3.91Å; Y89-W282 HydrophobicContact CE2-CG 4.29Å; Y89-W282 HydrophobicContact CE2-CZ2 4.33Å; Y89-W282 HydrophobicContact CG-CD2 4.28Å; Y89-W282 AromaticContact CG-CE3 3.98Å; Y89-W282 HydrophobicContact CG-CE3 3.98Å; Y89-W282 HydrophobicContact CG-CZ3 4.16Å; V278-W282 VanDerWaalsContact O-CB 3.31Å; V278-W282 WeakPolarHBondContact O-CB 3.34Å; V278-W282 PolarHBondContact O-N 3.47Å; G279-W282 PolarHBondContact O-N 3.38Å; L280-W282 VanDerWaalsContact C-N 3.27Å; L280-W282 PolarHBondContact O-N 2.84Å; W282-C284 PolarHBondContact O-N 3.27Å; W282-L285 PolarHBondContact O-N 2.91Å; W282-D286 PolarHBondContact O-N 3.47Å; W282-V319 HydrophobicContact CB-CG1 4.09Å
283R96.4Very high93.8Very high16 Ų1622.4 Ų22.46%0.0611%0.107CC..Hα-helixtrans-61.7-43.5175.2-177.562.1-179.1-70.6-3112.1Y89 G90 G279 L280 L285 D286 E287 L388Y89-R283 HydrophobicContact CD2-CB 3.74Å; Y89-R283 HydrophobicContact CD2-CG 4.46Å; Y89-R283 HydrophobicContact CE2-CB 4.12Å; Y89-R283 HydrophobicContact CG-CB 4.27Å; Y89-R283 WeakPolarHBondContact O-CB 3.27Å; Y89-R283 VanDerWaalsContact O-CD 3.31Å; Y89-R283 WeakPolarHBondContact O-CD 3.29Å; Y89-R283 VanDerWaalsContact O-CG 3.27Å; Y89-R283 WeakPolarHBondContact O-CG 3.24Å; Y89-R283 PolarHBondContact O-NH1 2.78Å; G90-R283 PolarHBondContact O-NH1 2.84Å; G90-R283 VanDerWaalsContact O-NH1 3.14Å; G279-R283 PolarHBondContact O-N 2.86Å; L280-R283 WeakPolarHBondContact O-CB 3.42Å; L280-R283 PolarHBondContact O-N 3.49Å; L280-R283 VanDerWaalsContact O-N 3.11Å; R283-L285 VanDerWaalsContact C-N 3.31Å; R283-L285 PolarHBondContact O-N 3.48Å; R283-D286 PolarHBondContact O-N 2.94Å; R283-E287 HydrophobicContact CG-CG 4.42Å; R283-E287 IonicContact CZ-OE1 3.6Å; R283-E287 IonicContact NE-OE1 3.4Å; R283-E287 PolarHBondContact NE-OE1 2.82Å; R283-E287 IonicContact NH2-OE1 2.67Å; R283-E287 PolarHBondContact NH2-OE1 3.22Å; R283-E287 WeakPolarHBondContact O-CG 3.36Å; R283-E287 PolarHBondContact O-N 2.86Å; R283-L388 HydrophobicContact CB-CD1 4.27Å; R283-L388 HydrophobicContact CB-CD2 4.45Å; R283-L388 HydrophobicContact CG-CD1 3.62Å; R283-L388 HydrophobicContact CG-CD2 4.09Å
284C95.5Very high94Very high0 Ų029.5 Ų29.50%014%0.14CC..Hα-helixtrans-57.9-44.2175.2-68.30000112L280 A281 W282 A288 M315 C357 A361L280-C284 PolarHBondContact O-N 3.17Å; L280-C284 PolarHBondContact O-SG 3.05Å; L280-C284 VanDerWaalsContact O-SG 3.36Å; A281-C284 WeakPolarHBondContact O-CB 3.48Å; A281-C284 PolarHBondContact O-N 2.95Å; W282-C284 PolarHBondContact O-N 3.27Å; C284-A288 VanDerWaalsContact O-CB 3.23Å; C284-A288 WeakPolarHBondContact O-CB 3.34Å; C284-A288 PolarHBondContact O-N 2.78Å; C284-M315 HydrophobicContact CB-CE 4.15Å; C284-C357 HydrophobicContact CB-CB 4.08Å; C284-A361 HydrophobicContact CB-CB 3.96Å
285L95.2Very high93.8Very high27 Ų2733.8 Ų33.814%0.14116%0.156CC..Hα-helixtrans-62-46.5176.3175.262.2000112A281 W282 R283 A288 V289 L312 M315 A316 V319A281-L285 PolarHBondContact O-N 3.48Å; W282-L285 PolarHBondContact O-N 2.91Å; R283-L285 VanDerWaalsContact C-N 3.31Å; R283-L285 PolarHBondContact O-N 3.48Å; L285-A288 PolarHBondContact O-N 2.92Å; L285-V289 HydrophobicContact CD1-CG2 3.85Å; L285-V289 HydrophobicContact CG-CG2 4.38Å; L285-V289 WeakPolarHBondContact O-CB 3.16Å; L285-V289 VanDerWaalsContact O-CG2 3.26Å; L285-V289 WeakPolarHBondContact O-CG2 3.26Å; L285-V289 PolarHBondContact O-N 3.42Å; L285-L312 HydrophobicContact CD1-CD2 4.48Å; L285-M315 HydrophobicContact CB-CE 4.12Å; L285-M315 HydrophobicContact CD1-CB 3.83Å; L285-M315 HydrophobicContact CD1-CE 4.46Å; L285-A316 HydrophobicContact CD2-CB 4.05Å; L285-V319 HydrophobicContact CB-CG2 4.49Å; L285-V319 HydrophobicContact CD2-CG2 4.34Å
286D95.2Very high93.5Very high38 Ų3840.5 Ų40.520%0.20319%0.185CC..Hα-helixtrans-63-44.7-178.9-17544.8000112.1Y89 W282 R283 V289 K290Y89-D286 HydrophobicContact CE2-CB 4.07Å; Y89-D286 PolarHBondContact OH-OD2 3.14Å; W282-D286 PolarHBondContact O-N 3.47Å; R283-D286 PolarHBondContact O-N 2.94Å; D286-V289 PolarHBondContact O-N 3.2Å; D286-K290 WeakPolarHBondContact O-CB 3.37Å; D286-K290 WeakPolarHBondContact O-CD 3.48Å; D286-K290 VanDerWaalsContact O-CG 3.27Å; D286-K290 WeakPolarHBondContact O-CG 3.44Å; D286-K290 PolarHBondContact O-N 3.43Å; D286-K290 WeakPolarHBondContact OD1-CE 3.12Å; D286-K290 IonicContact OD1-NZ 2.7Å; D286-K290 WeakPolarHBondContact OD2-CE 3.43Å; D286-K290 IonicContact OD2-NZ 2.69Å; D286-K290 PolarHBondContact OD2-NZ 2.96Å
287E93.5Very high93.1Very high35 Ų3541.2 Ų41.216%0.16419%0.191CC..Hα-helixtrans-63.9-44.1175.2-63.4-62.716900111.8R283 V289 K290 Y291 P384 V385R283-E287 HydrophobicContact CG-CG 4.42Å; R283-E287 IonicContact CZ-OE1 3.6Å; R283-E287 IonicContact NE-OE1 3.4Å; R283-E287 PolarHBondContact NE-OE1 2.82Å; R283-E287 IonicContact NH2-OE1 2.67Å; R283-E287 PolarHBondContact NH2-OE1 3.22Å; R283-E287 WeakPolarHBondContact O-CG 3.36Å; R283-E287 PolarHBondContact O-N 2.86Å; E287-V289 PolarHBondContact O-N 2.89Å; E287-K290 PolarHBondContact O-N 2.7Å; E287-Y291 WeakPolarHBondContact O-CB 3.32Å; E287-Y291 PolarHBondContact O-N 2.79Å; E287-P384 HydrophobicContact CG-CG 3.95Å; E287-V385 HydrophobicContact CB-CG1 3.99Å
288A91.8Very high92.8Very high0 Ų047.3 Ų47.30%022%0.218CC..Hα-helixtrans-62.9-41.6178.700000112.2C284 L285 S292 L312 M315 A361 V364C284-A288 VanDerWaalsContact O-CB 3.23Å; C284-A288 WeakPolarHBondContact O-CB 3.34Å; C284-A288 PolarHBondContact O-N 2.78Å; L285-A288 PolarHBondContact O-N 2.92Å; A288-S292 WeakPolarHBondContact O-CB 3.28Å; A288-S292 PolarHBondContact O-N 2.77Å; A288-S292 PolarHBondContact O-OG 3.21Å; A288-L312 HydrophobicContact CB-CD2 3.72Å; A288-M315 HydrophobicContact CB-CE 4.06Å; A288-M315 HydrophobicContact CB-SD 4.36Å; A288-A361 HydrophobicContact CB-CB 4.15Å; A288-V364 HydrophobicContact CB-CB 4.42Å; A288-V364 HydrophobicContact CB-CG1 4.37Å
289V94.1Very high92.4Very high50 Ų5051.2 Ų51.230%0.30326%0.258SS..Hα-helixtrans-63.8-50.9176.3169.80000110.5L285 D286 E287 Y291 S292 M293 L312L285-V289 HydrophobicContact CD1-CG2 3.85Å; L285-V289 HydrophobicContact CG-CG2 4.38Å; L285-V289 WeakPolarHBondContact O-CB 3.16Å; L285-V289 VanDerWaalsContact O-CG2 3.26Å; L285-V289 WeakPolarHBondContact O-CG2 3.26Å; L285-V289 PolarHBondContact O-N 3.42Å; D286-V289 PolarHBondContact O-N 3.2Å; E287-V289 PolarHBondContact O-N 2.89Å; V289-Y291 PolarHBondContact O-N 2.83Å; V289-S292 PolarHBondContact O-N 3.03Å; V289-S292 VanDerWaalsContact O-N 3.1Å; V289-S292 PolarHBondContact O-OG 2.93Å; V289-M293 HydrophobicContact CG1-SD 4.14Å; V289-M293 WeakPolarHBondContact O-CG 3.29Å; V289-M293 PolarHBondContact O-N 2.89Å; V289-L312 HydrophobicContact CG2-CD1 4.36Å; V289-L312 HydrophobicContact CG2-CD2 4Å
290K92.4Very high92.2Very high87 Ų8756.8 Ų56.838%0.37828%0.279SS..Hα-helixtrans-54.7-52.2178.5-74.9166.2177.4165.60111.4D286 E287 S292 M293 E294D286-K290 WeakPolarHBondContact O-CB 3.37Å; D286-K290 WeakPolarHBondContact O-CD 3.48Å; D286-K290 VanDerWaalsContact O-CG 3.27Å; D286-K290 WeakPolarHBondContact O-CG 3.44Å; D286-K290 PolarHBondContact O-N 3.43Å; D286-K290 WeakPolarHBondContact OD1-CE 3.12Å; D286-K290 IonicContact OD1-NZ 2.7Å; D286-K290 WeakPolarHBondContact OD2-CE 3.43Å; D286-K290 IonicContact OD2-NZ 2.69Å; D286-K290 PolarHBondContact OD2-NZ 2.96Å; E287-K290 PolarHBondContact O-N 2.7Å; K290-S292 VanDerWaalsContact C-N 3.28Å; K290-S292 PolarHBondContact O-N 2.9Å; K290-M293 PolarHBondContact O-N 3.31Å; K290-E294 WeakPolarHBondContact O-CG 3.23Å; K290-E294 PolarHBondContact O-N 3.14Å
291Y90.5Very high92Very high22 Ų2258.2 Ų58.29%0.08629%0.288CS..Hα-helixtrans-59.7-40.1178.2-174-92000112E287 V289 M293 E294 R295 I302 E365 Y383E287-Y291 WeakPolarHBondContact O-CB 3.32Å; E287-Y291 PolarHBondContact O-N 2.79Å; V289-Y291 PolarHBondContact O-N 2.83Å; Y291-M293 PolarHBondContact O-N 3.48Å; Y291-E294 PolarHBondContact O-N 3.34Å; Y291-R295 HydrophobicContact CD1-CB 4.14Å; Y291-R295 HydrophobicContact CE1-CB 3.71Å; Y291-R295 HydrophobicContact CE1-CG 3.86Å; Y291-R295 VanDerWaalsContact O-CB 3.29Å; Y291-R295 WeakPolarHBondContact O-CB 3.36Å; Y291-R295 PolarHBondContact O-N 3.33Å; Y291-I302 HydrophobicContact CD1-CD1 3.86Å; Y291-I302 HydrophobicContact CE1-CD1 3.8Å; Y291-E365 HydrophobicContact CD1-CB 4.35Å; Y291-E365 HydrophobicContact CD1-CG 3.88Å; Y291-E365 HydrophobicContact CD2-CG 4.19Å; Y291-E365 HydrophobicContact CE1-CB 4.26Å; Y291-E365 HydrophobicContact CE1-CG 4.26Å; Y291-E365 HydrophobicContact CG-CG 3.85Å; Y291-Y383 HydrophobicContact CD2-CE1 4.38Å; Y291-Y383 HydrophobicContact CE2-CE1 4.27Å
292S90.2Very high91.7Very high3 Ų358.3 Ų58.32%0.02129%0.289CS..Hα-helixtrans-64.8-26.8-178.278.90000114.3A288 V289 K290 I302 G303A288-S292 WeakPolarHBondContact O-CB 3.28Å; A288-S292 PolarHBondContact O-N 2.77Å; A288-S292 PolarHBondContact O-OG 3.21Å; V289-S292 PolarHBondContact O-N 3.03Å; V289-S292 VanDerWaalsContact O-N 3.1Å; V289-S292 PolarHBondContact O-OG 2.93Å; K290-S292 VanDerWaalsContact C-N 3.28Å; K290-S292 PolarHBondContact O-N 2.9Å; S292-I302 VanDerWaalsContact CA-CG1 3.48Å; S292-I302 WeakPolarHBondContact O-CG1 3.33Å; S292-I302 PolarHBondContact O-N 3.08Å; S292-I302 VanDerWaalsContact O-N 3.15Å; S292-G303 PolarHBondContact O-N 3.47Å
293M92.1Very high91.4Very high128 Ų12856.6 Ų56.663%0.63129%0.29SS*.Hα-helixtrans-85.1-35.2178.2-67178.36300112.2V289 K290 Y291V289-M293 HydrophobicContact CG1-SD 4.14Å; V289-M293 WeakPolarHBondContact O-CG 3.29Å; V289-M293 PolarHBondContact O-N 2.89Å; K290-M293 PolarHBondContact O-N 3.31Å; Y291-M293 PolarHBondContact O-N 3.48Å
294E90.6Very high91.2Very high154 Ų15461.4 Ų61.472%0.7231%0.313SS*.Hα-helixtrans-78.5-41.6-179.4-68.8177.4-177.700112.1K290 Y291K290-E294 WeakPolarHBondContact O-CG 3.23Å; K290-E294 PolarHBondContact O-N 3.14Å; Y291-E294 PolarHBondContact O-N 3.34Å
295R85.2Confident91.1Very high90 Ų9063.1 Ų63.134%0.3432%0.32SS..  trans-78128-176.3-175.463178.5177.2-0.4110.6Y291 P301 I302 S368 S372Y291-R295 HydrophobicContact CD1-CB 4.14Å; Y291-R295 HydrophobicContact CE1-CB 3.71Å; Y291-R295 HydrophobicContact CE1-CG 3.86Å; Y291-R295 VanDerWaalsContact O-CB 3.29Å; Y291-R295 WeakPolarHBondContact O-CB 3.36Å; Y291-R295 PolarHBondContact O-N 3.33Å; R295-P301 CarbonylContact O-C 3.55Å; R295-P301 WeakPolarHBondContact O-CA 3.19Å; R295-I302 HydrophobicContact CB-CD1 4.06Å; R295-I302 HydrophobicContact CB-CG1 4.21Å; R295-I302 HydrophobicContact CB-CG2 4.46Å; R295-I302 HydrophobicContact CG-CD1 4.19Å; R295-I302 HydrophobicContact CG-CG2 4.08Å; R295-I302 PolarHBondContact O-N 3.34Å; R295-S368 PolarHBondContact NE-OG 3.49Å; R295-S368 VanDerWaalsContact NE-OG 3.14Å; R295-S368 PolarHBondContact NH2-OG 3.07Å; R295-S372 PolarHBondContact NH2-OG 3.48Å
296K87.1Confident91Very high142 Ų14268.8 Ų68.862%0.61735%0.346SS*.EExtended strand (participates in β ladder)trans-107.5135.9174-58.8-175.5-178.7-179.90111.6R300K296-R300 CarbonylContact C-O 3.52Å; K296-R300 VanDerWaalsContact CA-O 3.27Å; K296-R300 WeakPolarHBondContact CA-O 3.36Å
297A84.5Confident90.8Very high15 Ų1569.7 Ų69.712%0.12436%0.359CS..EExtended strand (participates in β ladder)trans-143.8144.3168.700000109.2G299 R300 I302 H305A297-G299 PolarHBondContact O-N 3.41Å; A297-R300 PolarHBondContact N-O 2.86Å; A297-R300 PolarHBondContact O-N 3.02Å; A297-I302 HydrophobicContact CB-CG2 3.75Å; A297-H305 PolarHBondContact O-NE2 3.37Å
298F88.1Confident90.7Very high128 Ų12868.3 Ų68.356%0.56135%0.353SS*.THydrogen-bonded Turntrans54.341.4-175.3-54.1-81.8000113.1R300 L370F298-R300 VanDerWaalsContact C-N 3.32Å; F298-R300 PolarHBondContact O-N 3.14Å; F298-L370 HydrophobicContact CE1-CB 4.39Å; F298-L370 HydrophobicContact CE2-CB 4.08Å; F298-L370 HydrophobicContact CE2-CD1 4.33Å; F298-L370 HydrophobicContact CZ-CB 3.46Å; F298-L370 VanDerWaalsContact CZ-CB 3.46Å; F298-L370 HydrophobicContact CZ-CD1 3.61Å; F298-L370 HydrophobicContact CZ-CG 4.15Å
299G90.7Very high90.7Very high83 Ų8370 Ų7086%0.85637%0.368SS*.THydrogen-bonded Turntrans80.7-4.4173.600000116.6A297A297-G299 PolarHBondContact O-N 3.41Å
300R92.2Very high90.7Very high116 Ų11673.9 Ų73.944%0.43838%0.38SS..EExtended strand (participates in β ladder)trans-139.5161-179.462.6-176.7168.8-156.9-9.8113K296 A297 F298 E304 H305K296-R300 CarbonylContact C-O 3.52Å; K296-R300 VanDerWaalsContact CA-O 3.27Å; K296-R300 WeakPolarHBondContact CA-O 3.36Å; A297-R300 PolarHBondContact N-O 2.86Å; A297-R300 PolarHBondContact O-N 3.02Å; F298-R300 VanDerWaalsContact C-N 3.32Å; F298-R300 PolarHBondContact O-N 3.14Å; R300-E304 WeakPolarHBondContact CD-OE2 3.28Å; R300-E304 HydrophobicContact CG-CB 4.29Å; R300-H305 PolarHBondContact NE-CE1 3.34Å; R300-H305 PolarHBondContact NE-ND1 3.14Å; R300-H305 VanDerWaalsContact NE-ND1 3.12Å; R300-H305 PolarHBondContact NH2-ND1 2.87Å; R300-H305 VanDerWaalsContact NH2-ND1 3.16Å
301P92.2Very high90.7Very high30 Ų3071.1 Ų71.120%0.19537%0.37CS..EExtended strand (participates in β ladder)trans-49.7140.1169.5-26.835.7000111.6R295 G303 E304R295-P301 CarbonylContact O-C 3.55Å; R295-P301 WeakPolarHBondContact O-CA 3.19Å; P301-G303 PolarHBondContact O-N 3.35Å; P301-E304 HydrophobicContact CB-CG 4.43Å; P301-E304 WeakPolarHBondContact CD-OE1 3.49Å; P301-E304 WeakPolarHBondContact O-CB 3.12Å; P301-E304 PolarHBondContact O-N 3.25Å; P301-E304 VanDerWaalsContact O-N 3.08Å
302I90.9Very high90.9Very high3 Ų371.2 Ų71.22%0.01537%0.371CS..G310 helixtrans-66.5-27.2-174.163172.4000112.6Y291 S292 R295 A297 E304 H305 V308 V364Y291-I302 HydrophobicContact CD1-CD1 3.86Å; Y291-I302 HydrophobicContact CE1-CD1 3.8Å; S292-I302 VanDerWaalsContact CA-CG1 3.48Å; S292-I302 WeakPolarHBondContact O-CG1 3.33Å; S292-I302 PolarHBondContact O-N 3.08Å; S292-I302 VanDerWaalsContact O-N 3.15Å; R295-I302 HydrophobicContact CB-CD1 4.06Å; R295-I302 HydrophobicContact CB-CG1 4.21Å; R295-I302 HydrophobicContact CB-CG2 4.46Å; R295-I302 HydrophobicContact CG-CD1 4.19Å; R295-I302 HydrophobicContact CG-CG2 4.08Å; R295-I302 PolarHBondContact O-N 3.34Å; A297-I302 HydrophobicContact CB-CG2 3.75Å; I302-E304 PolarHBondContact O-N 2.94Å; I302-H305 WeakPolarHBondContact O-CB 3.26Å; I302-H305 PolarHBondContact O-N 2.88Å; I302-V308 HydrophobicContact CB-CG2 4.48Å; I302-V308 WeakPolarHBondContact O-CB 3.33Å; I302-V308 WeakPolarHBondContact O-CG2 3.35Å; I302-V364 HydrophobicContact CD1-CG1 4.37Å
303G91.1Very high91.2Very high22 Ų2273.2 Ų73.223%0.22739%0.388CS..G310 helixtrans-61.8-19.3174.200000114.2S292 P301 H305S292-G303 PolarHBondContact O-N 3.47Å; P301-G303 PolarHBondContact O-N 3.35Å; G303-H305 VanDerWaalsContact C-N 3.34Å
304E93.3Very high91.4Very high117 Ų11771.8 Ų71.855%0.54738%0.383SS..G310 helixtrans-82.1-10.5175-66.2-178.4-159.800113.4R300 P301 I302R300-E304 WeakPolarHBondContact CD-OE2 3.28Å; R300-E304 HydrophobicContact CG-CB 4.29Å; P301-E304 HydrophobicContact CB-CG 4.43Å; P301-E304 WeakPolarHBondContact CD-OE1 3.49Å; P301-E304 WeakPolarHBondContact O-CB 3.12Å; P301-E304 PolarHBondContact O-N 3.25Å; P301-E304 VanDerWaalsContact O-N 3.08Å; I302-E304 PolarHBondContact O-N 2.94Å
305H93.1Very high91.6Very high35 Ų3564.5 Ų64.516%0.16235%0.349CS..SBendtrans-81.1127171.9-63.2-65.8000109.5A297 R300 I302 G303 A307 V308 A309A297-H305 PolarHBondContact O-NE2 3.37Å; R300-H305 PolarHBondContact NE-CE1 3.34Å; R300-H305 PolarHBondContact NE-ND1 3.14Å; R300-H305 VanDerWaalsContact NE-ND1 3.12Å; R300-H305 PolarHBondContact NH2-ND1 2.87Å; R300-H305 VanDerWaalsContact NH2-ND1 3.16Å; I302-H305 WeakPolarHBondContact O-CB 3.26Å; I302-H305 PolarHBondContact O-N 2.88Å; G303-H305 VanDerWaalsContact C-N 3.34Å; H305-A307 PolarHBondContact O-N 2.8Å; H305-A307 VanDerWaalsContact O-N 3.08Å; H305-V308 PolarHBondContact O-N 2.95Å; H305-A309 PolarHBondContact O-N 3.04Å
306Q92.8Very high92.2Very high146 Ų14662.1 Ų62.168%0.68235%0.349SS*.Hα-helixtrans-50.4-40-175-71179.1-29.100113.8V308 A309 F310Q306-V308 VanDerWaalsContact C-N 3.29Å; Q306-V308 PolarHBondContact O-N 3.27Å; Q306-A309 PolarHBondContact O-N 2.92Å; Q306-F310 HydrophobicContact CB-CE2 4.34Å; Q306-F310 HydrophobicContact CB-CZ 4.34Å; Q306-F310 WeakPolarHBondContact O-CD2 3.49Å; Q306-F310 VanDerWaalsContact O-CG 3.22Å; Q306-F310 WeakPolarHBondContact O-CG 3.45Å; Q306-F310 PolarHBondContact O-N 3.05Å
307A90.9Very high92.7Very high58 Ų5860.1 Ų60.148%0.47934%0.344SS..Hα-helixtrans-61.2-35.7179.200000113.1H305 I311 M367H305-A307 PolarHBondContact O-N 2.8Å; H305-A307 VanDerWaalsContact O-N 3.08Å; A307-I311 WeakPolarHBondContact O-CD1 3.12Å; A307-I311 WeakPolarHBondContact O-CG1 3.19Å; A307-M367 HydrophobicContact CB-CE 3.84Å
308V90.5Very high93.4Very high5 Ų559.8 Ų59.83%0.0334%0.341CS..Hα-helixtrans-78.3-43.1175.4178.80000110.1I302 H305 Q306 F310 I311 L312 V364 M367I302-V308 HydrophobicContact CB-CG2 4.48Å; I302-V308 WeakPolarHBondContact O-CB 3.33Å; I302-V308 WeakPolarHBondContact O-CG2 3.35Å; H305-V308 PolarHBondContact O-N 2.95Å; Q306-V308 VanDerWaalsContact C-N 3.29Å; Q306-V308 PolarHBondContact O-N 3.27Å; V308-F310 VanDerWaalsContact C-N 3.28Å; V308-F310 PolarHBondContact O-N 2.85Å; V308-I311 PolarHBondContact O-N 3.08Å; V308-I311 VanDerWaalsContact O-N 3.14Å; V308-L312 HydrophobicContact CG1-CD1 4.15Å; V308-L312 HydrophobicContact CG1-CG 4.39Å; V308-L312 WeakPolarHBondContact O-CG 3.42Å; V308-L312 PolarHBondContact O-N 3.46Å; V308-V364 HydrophobicContact CG1-CG1 4.03Å; V308-V364 HydrophobicContact CG1-CG2 4.34Å; V308-M367 HydrophobicContact CG2-CE 3.83Å; V308-M367 HydrophobicContact CG2-SD 4.37Å
309A92.1Very high93.8Very high37 Ų3753.9 Ų53.931%0.30632%0.316SS..Hα-helixtrans-57.4-40.2178.200000112.4H305 Q306 L312 A313H305-A309 PolarHBondContact O-N 3.04Å; Q306-A309 PolarHBondContact O-N 2.92Å; A309-L312 PolarHBondContact O-N 3.32Å; A309-A313 WeakPolarHBondContact O-CB 3.31Å; A309-A313 PolarHBondContact O-N 2.94Å
310F94.3Very high94.1Very high131 Ų13154.1 Ų54.158%0.57530%0.295SS*.Hα-helixtrans-65.4-40.8176.2-65.9-20.8000112.7Q306 V308 A313 D314Q306-F310 HydrophobicContact CB-CE2 4.34Å; Q306-F310 HydrophobicContact CB-CZ 4.34Å; Q306-F310 WeakPolarHBondContact O-CD2 3.49Å; Q306-F310 VanDerWaalsContact O-CG 3.22Å; Q306-F310 WeakPolarHBondContact O-CG 3.45Å; Q306-F310 PolarHBondContact O-N 3.05Å; V308-F310 VanDerWaalsContact C-N 3.28Å; V308-F310 PolarHBondContact O-N 2.85Å; F310-A313 PolarHBondContact O-N 3.32Å; F310-D314 PolarHBondContact O-N 2.81Å
311I93.2Very high94.2Very high29 Ų2951.1 Ų51.115%0.14929%0.29CS..Hα-helixtrans-61.3-47.8175.6-66.7167000110.3A307 V308 A313 D314 M315 D360 V364 M367A307-I311 WeakPolarHBondContact O-CD1 3.12Å; A307-I311 WeakPolarHBondContact O-CG1 3.19Å; V308-I311 PolarHBondContact O-N 3.08Å; V308-I311 VanDerWaalsContact O-N 3.14Å; I311-A313 VanDerWaalsContact C-N 3.31Å; I311-A313 PolarHBondContact O-N 3.24Å; I311-D314 PolarHBondContact O-N 2.88Å; I311-M315 HydrophobicContact CG2-CG 4.44Å; I311-M315 HydrophobicContact CG2-SD 4.01Å; I311-M315 VanDerWaalsContact O-CG 3.24Å; I311-M315 WeakPolarHBondContact O-CG 3.28Å; I311-M315 PolarHBondContact O-N 2.69Å; I311-D360 HydrophobicContact CG2-CB 3.6Å; I311-V364 HydrophobicContact CB-CG2 4.29Å; I311-V364 HydrophobicContact CG2-CG2 3.72Å; I311-M367 HydrophobicContact CD1-CE 4.26Å; I311-M367 HydrophobicContact CD1-SD 3.53Å; I311-M367 VanDerWaalsContact CD1-SD 3.53Å
312L93.6Very high94.4Very high23 Ų2349.7 Ų49.712%0.1228%0.28CS..Hα-helixtrans-62.4-38178.1-63.5175.5000112.1L285 A288 V289 V308 A309 M315 A316 V364L285-L312 HydrophobicContact CD1-CD2 4.48Å; A288-L312 HydrophobicContact CB-CD2 3.72Å; V289-L312 HydrophobicContact CG2-CD1 4.36Å; V289-L312 HydrophobicContact CG2-CD2 4Å; V308-L312 HydrophobicContact CG1-CD1 4.15Å; V308-L312 HydrophobicContact CG1-CG 4.39Å; V308-L312 WeakPolarHBondContact O-CG 3.42Å; V308-L312 PolarHBondContact O-N 3.46Å; A309-L312 PolarHBondContact O-N 3.32Å; L312-M315 HydrophobicContact CD2-SD 4.31Å; L312-M315 PolarHBondContact O-N 3.34Å; L312-A316 WeakPolarHBondContact O-CB 3.29Å; L312-A316 PolarHBondContact O-N 2.59Å; L312-V364 HydrophobicContact CD2-CG2 4.42Å
313A96.1Very high94.5Very high46 Ų4651.6 Ų51.638%0.3829%0.287SS..Hα-helixtrans-64.9-45.6175.800000111.9A309 F310 I311 M315 A316 I317A309-A313 WeakPolarHBondContact O-CB 3.31Å; A309-A313 PolarHBondContact O-N 2.94Å; F310-A313 PolarHBondContact O-N 3.32Å; I311-A313 VanDerWaalsContact C-N 3.31Å; I311-A313 PolarHBondContact O-N 3.24Å; A313-M315 VanDerWaalsContact C-N 3.34Å; A313-M315 PolarHBondContact O-N 2.72Å; A313-A316 PolarHBondContact O-N 3.47Å; A313-I317 VanDerWaalsContact O-CG1 3.31Å; A313-I317 WeakPolarHBondContact O-CG1 3.13Å; A313-I317 PolarHBondContact O-N 3.3Å
314D96.5Very high94.6Very high97 Ų9754.7 Ų54.752%0.51930%0.298SS..Hα-helixtrans-63.2-40176.9-75.5-17000111.8F310 I311 I317 G318F310-D314 PolarHBondContact O-N 2.81Å; I311-D314 PolarHBondContact O-N 2.88Å; D314-I317 PolarHBondContact O-N 3.2Å; D314-G318 PolarHBondContact O-N 3.04Å
315M96.3Very high94.6Very high1 Ų150.6 Ų50.61%0.00528%0.28CS..Hα-helixtrans-60.4-45.6172.9-70.3172.774.800111.4C284 L285 A288 I311 L312 A313 G318 V319 C357 D360 A361C284-M315 HydrophobicContact CB-CE 4.15Å; L285-M315 HydrophobicContact CB-CE 4.12Å; L285-M315 HydrophobicContact CD1-CB 3.83Å; L285-M315 HydrophobicContact CD1-CE 4.46Å; A288-M315 HydrophobicContact CB-CE 4.06Å; A288-M315 HydrophobicContact CB-SD 4.36Å; I311-M315 HydrophobicContact CG2-CG 4.44Å; I311-M315 HydrophobicContact CG2-SD 4.01Å; I311-M315 VanDerWaalsContact O-CG 3.24Å; I311-M315 WeakPolarHBondContact O-CG 3.28Å; I311-M315 PolarHBondContact O-N 2.69Å; L312-M315 HydrophobicContact CD2-SD 4.31Å; L312-M315 PolarHBondContact O-N 3.34Å; A313-M315 VanDerWaalsContact C-N 3.34Å; A313-M315 PolarHBondContact O-N 2.72Å; M315-G318 PolarHBondContact O-N 3.31Å; M315-V319 VanDerWaalsContact O-CG2 3.28Å; M315-V319 WeakPolarHBondContact O-CG2 3.35Å; M315-V319 PolarHBondContact O-N 2.76Å; M315-C357 HydrophobicContact CE-CB 3.99Å; M315-C357 WeakPolarHBondContact CE-O 3.48Å; M315-C357 HydrophobicContact CG-CB 4.41Å; M315-D360 HydrophobicContact CG-CB 3.99Å; M315-D360 HydrophobicContact SD-CB 3.75Å; M315-A361 HydrophobicContact CE-CB 4.14Å
316A97.4Very high94.5Very high41 Ų4148.9 Ų48.934%0.33927%0.272SS..Hα-helixtrans-63.1-43.6177.600000112.4L285 L312 A313 G318 V319 E320L285-A316 HydrophobicContact CD2-CB 4.05Å; L312-A316 WeakPolarHBondContact O-CB 3.29Å; L312-A316 PolarHBondContact O-N 2.59Å; A313-A316 PolarHBondContact O-N 3.47Å; A316-G318 VanDerWaalsContact C-N 3.33Å; A316-G318 PolarHBondContact O-N 2.89Å; A316-V319 PolarHBondContact O-N 2.74Å; A316-E320 WeakPolarHBondContact O-CB 3.37Å; A316-E320 PolarHBondContact O-N 3.23Å
317I98.2Very high94.4Very high100 Ų10043.1 Ų43.151%0.51324%0.244SC..Hα-helixtrans-57.6-48.7173.9-69164.2000110A313 D314 T321A313-I317 VanDerWaalsContact O-CG1 3.31Å; A313-I317 WeakPolarHBondContact O-CG1 3.13Å; A313-I317 PolarHBondContact O-N 3.3Å; D314-I317 PolarHBondContact O-N 3.2Å; I317-T321 HydrophobicContact CG2-CG2 4.44Å; I317-T321 WeakPolarHBondContact O-CB 3.3Å; I317-T321 VanDerWaalsContact O-CG2 3.3Å; I317-T321 WeakPolarHBondContact O-CG2 3.34Å; I317-T321 PolarHBondContact O-N 3.11Å; I317-T321 PolarHBondContact O-OG1 3.13Å
318G97.2Very high94.3Very high7 Ų741.6 Ų41.67%0.07223%0.226CC..Hα-helixtrans-59.5-51.1179.200000112.5D314 M315 A316 E320 T321 A322 V353D314-G318 PolarHBondContact O-N 3.04Å; M315-G318 PolarHBondContact O-N 3.31Å; A316-G318 VanDerWaalsContact C-N 3.33Å; A316-G318 PolarHBondContact O-N 2.89Å; G318-E320 PolarHBondContact O-N 3.4Å; G318-T321 PolarHBondContact O-OG1 3.36Å; G318-T321 VanDerWaalsContact O-OG1 3.12Å; G318-A322 WeakPolarHBondContact O-CB 3.44Å; G318-A322 PolarHBondContact O-N 3.14Å; G318-V353 VanDerWaalsContact C-CG1 3.44Å
319V96.9Very high94.1Very high4 Ų441.3 Ų41.32%0.02423%0.225CC..Hα-helixtrans-59.3-48.9-179.6170.60000111A281 W282 L285 M315 A316 A322 R323A281-V319 HydrophobicContact CB-CG2 3.74Å; W282-V319 HydrophobicContact CB-CG1 4.09Å; L285-V319 HydrophobicContact CB-CG2 4.49Å; L285-V319 HydrophobicContact CD2-CG2 4.34Å; M315-V319 VanDerWaalsContact O-CG2 3.28Å; M315-V319 WeakPolarHBondContact O-CG2 3.35Å; M315-V319 PolarHBondContact O-N 2.76Å; A316-V319 PolarHBondContact O-N 2.74Å; V319-A322 PolarHBondContact O-N 3.44Å; V319-R323 WeakPolarHBondContact O-CB 3.4Å; V319-R323 PolarHBondContact O-N 3.31Å
320E96.6Very high93.7Very high88 Ų8839.6 Ų39.641%0.41121%0.21SC..Hα-helixtrans-68.6-44.1-175.9-170.156.5-155.300111.7A316 G318 A322 R323 L324A316-E320 WeakPolarHBondContact O-CB 3.37Å; A316-E320 PolarHBondContact O-N 3.23Å; G318-E320 PolarHBondContact O-N 3.4Å; E320-A322 VanDerWaalsContact C-N 3.32Å; E320-A322 PolarHBondContact O-N 2.86Å; E320-R323 PolarHBondContact O-N 2.91Å; E320-R323 IonicContact OE2-CZ 3.72Å; E320-R323 IonicContact OE2-NH1 2.67Å; E320-R323 PolarHBondContact OE2-NH1 2.72Å; E320-L324 HydrophobicContact CG-CD1 4.33Å; E320-L324 VanDerWaalsContact O-CG 3.25Å; E320-L324 WeakPolarHBondContact O-CG 3.43Å; E320-L324 PolarHBondContact O-N 2.97Å
321T96.1Very high93.3Very high54 Ų5435.4 Ų35.433%0.33119%0.191SC..Hα-helixtrans-65.3-35.8176.653.10000112.3I317 G318 I325 Y349I317-T321 HydrophobicContact CG2-CG2 4.44Å; I317-T321 WeakPolarHBondContact O-CB 3.3Å; I317-T321 VanDerWaalsContact O-CG2 3.3Å; I317-T321 WeakPolarHBondContact O-CG2 3.34Å; I317-T321 PolarHBondContact O-N 3.11Å; I317-T321 PolarHBondContact O-OG1 3.13Å; G318-T321 PolarHBondContact O-OG1 3.36Å; G318-T321 VanDerWaalsContact O-OG1 3.12Å; T321-I325 WeakPolarHBondContact O-CG2 3.24Å; T321-I325 PolarHBondContact O-N 3.26Å; T321-I325 VanDerWaalsContact O-N 3.13Å; T321-Y349 VanDerWaalsContact OG1-CE1 3.27Å; T321-Y349 WeakPolarHBondContact OG1-CE1 3.32Å; T321-Y349 PolarHBondContact OG1-OH 3.03Å
322A95.4Very high92.8Very high0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-68.6-39.9175.800000112.1V278 G318 V319 E320 I325 T326 Y349 A350 V353V278-A322 HydrophobicContact CG2-CB 3.75Å; G318-A322 WeakPolarHBondContact O-CB 3.44Å; G318-A322 PolarHBondContact O-N 3.14Å; V319-A322 PolarHBondContact O-N 3.44Å; E320-A322 VanDerWaalsContact C-N 3.32Å; E320-A322 PolarHBondContact O-N 2.86Å; A322-I325 VanDerWaalsContact O-CG2 3.26Å; A322-I325 WeakPolarHBondContact O-CG2 3.43Å; A322-T326 VanDerWaalsContact O-CB 3.25Å; A322-T326 WeakPolarHBondContact O-CB 3.28Å; A322-T326 PolarHBondContact O-N 3.41Å; A322-T326 PolarHBondContact O-OG1 3.22Å; A322-Y349 HydrophobicContact CB-CD1 4.03Å; A322-Y349 HydrophobicContact CB-CE1 4.05Å; A322-A350 HydrophobicContact CB-CB 4.04Å; A322-V353 HydrophobicContact CB-CB 4.37Å; A322-V353 HydrophobicContact CB-CG1 4.3Å; A322-V353 HydrophobicContact CB-CG2 4.34Å
323R94.2Very high92.2Very high42 Ų4234.3 Ų34.316%0.15819%0.186CC..Hα-helixtrans-60.1-51172.8-178.1178.3-68.8125.8-1.5111.1E85 V278 V319 E320 I325 T326 Y327E85-R323 IonicContact OE1-CZ 3.35Å; E85-R323 IonicContact OE1-NE 2.84Å; E85-R323 PolarHBondContact OE1-NE 2.76Å; E85-R323 IonicContact OE1-NH2 2.85Å; E85-R323 PolarHBondContact OE1-NH2 3.29Å; E85-R323 IonicContact OE2-NE 3.16Å; E85-R323 PolarHBondContact OE2-NE 2.85Å; V278-R323 HydrophobicContact CG1-CB 3.89Å; V278-R323 HydrophobicContact CG1-CG 4.46Å; V319-R323 WeakPolarHBondContact O-CB 3.4Å; V319-R323 PolarHBondContact O-N 3.31Å; E320-R323 PolarHBondContact O-N 2.91Å; E320-R323 IonicContact OE2-CZ 3.72Å; E320-R323 IonicContact OE2-NH1 2.67Å; E320-R323 PolarHBondContact OE2-NH1 2.72Å; R323-I325 PolarHBondContact O-N 3.37Å; R323-T326 WeakPolarHBondContact O-CB 3.44Å; R323-T326 PolarHBondContact O-N 3.43Å; R323-T326 VanDerWaalsContact O-N 3.15Å; R323-Y327 HydrophobicContact CG-CD2 3.91Å; R323-Y327 HydrophobicContact CG-CE1 4.5Å; R323-Y327 HydrophobicContact CG-CE2 3.63Å; R323-Y327 HydrophobicContact CG-CG 4.45Å; R323-Y327 PolarHBondContact O-N 2.89Å
324L93.1Very high91.5Very high88 Ų8834.7 Ų34.746%0.46118%0.181SC..Hα-helixtrans-58.9-46.3-178.3-71171.3000112.3E320 T326 K328E320-L324 HydrophobicContact CG-CD1 4.33Å; E320-L324 VanDerWaalsContact O-CG 3.25Å; E320-L324 WeakPolarHBondContact O-CG 3.43Å; E320-L324 PolarHBondContact O-N 2.97Å; L324-T326 VanDerWaalsContact C-N 3.33Å; L324-T326 PolarHBondContact O-N 2.87Å; L324-K328 WeakPolarHBondContact O-CB 3.4Å; L324-K328 PolarHBondContact O-N 3.13Å
325I92.1Very high90.8Very high30 Ų3034.6 Ų34.615%0.15418%0.178CC..Hα-helixtrans-69.4-32.7178.4-170.257.8000112.4T321 A322 R323 A329 F342 I345 A346 Y349T321-I325 WeakPolarHBondContact O-CG2 3.24Å; T321-I325 PolarHBondContact O-N 3.26Å; T321-I325 VanDerWaalsContact O-N 3.13Å; A322-I325 VanDerWaalsContact O-CG2 3.26Å; A322-I325 WeakPolarHBondContact O-CG2 3.43Å; R323-I325 PolarHBondContact O-N 3.37Å; I325-A329 WeakPolarHBondContact O-CB 3.39Å; I325-A329 PolarHBondContact O-N 3.2Å; I325-F342 HydrophobicContact CD1-CB 4.35Å; I325-F342 HydrophobicContact CD1-CD1 3.88Å; I325-I345 HydrophobicContact CD1-CB 4.48Å; I325-I345 HydrophobicContact CD1-CG2 4.19Å; I325-I345 HydrophobicContact CG1-CB 4.2Å; I325-I345 HydrophobicContact CG1-CG2 3.74Å; I325-A346 HydrophobicContact CG1-CB 4.19Å; I325-A346 HydrophobicContact CG2-CB 4.19Å; I325-Y349 HydrophobicContact CG2-CD1 4.16Å
326T91.3Very high89.8Confident0 Ų036.1 Ų36.10%019%0.194CC..Hα-helixtrans-66.4-50176.7-62.70000111.1A274 A275 A322 R323 L324 K328 A329 A330A274-T326 HydrophobicContact CB-CG2 3.9Å; A274-T326 WeakPolarHBondContact CB-OG1 3.47Å; A275-T326 HydrophobicContact CB-CG2 3.88Å; A322-T326 VanDerWaalsContact O-CB 3.25Å; A322-T326 WeakPolarHBondContact O-CB 3.28Å; A322-T326 PolarHBondContact O-N 3.41Å; A322-T326 PolarHBondContact O-OG1 3.22Å; R323-T326 WeakPolarHBondContact O-CB 3.44Å; R323-T326 PolarHBondContact O-N 3.43Å; R323-T326 VanDerWaalsContact O-N 3.15Å; L324-T326 VanDerWaalsContact C-N 3.33Å; L324-T326 PolarHBondContact O-N 2.87Å; T326-K328 VanDerWaalsContact C-N 3.31Å; T326-K328 PolarHBondContact O-N 2.94Å; T326-A329 WeakPolarHBondContact O-CB 3.4Å; T326-A329 PolarHBondContact O-N 2.95Å; T326-A330 PolarHBondContact O-N 3.41Å
327Y90.8Very high88.9Confident25 Ų2537 Ų3710%0.09819%0.189CC..Hα-helixtrans-67.3-34.5176.8-69.6-5.1000111.7L78 A81 I82 E85 R323 A330 W331L78-Y327 HydrophobicContact CD1-CD1 3.85Å; L78-Y327 HydrophobicContact CD1-CD2 4.25Å; L78-Y327 HydrophobicContact CD1-CG 3.68Å; A81-Y327 HydrophobicContact CB-CD1 4.35Å; A81-Y327 HydrophobicContact CB-CE1 4.31Å; I82-Y327 HydrophobicContact CG1-CE1 3.9Å; I82-Y327 HydrophobicContact CG1-CE2 4.21Å; I82-Y327 WeakPolarHBondContact CG1-OH 2.96Å; E85-Y327 VanDerWaalsContact OE2-CZ 3.31Å; E85-Y327 PolarHBondContact OE2-OH 3.38Å; R323-Y327 HydrophobicContact CG-CD2 3.91Å; R323-Y327 HydrophobicContact CG-CE1 4.5Å; R323-Y327 HydrophobicContact CG-CE2 3.63Å; R323-Y327 HydrophobicContact CG-CG 4.45Å; R323-Y327 PolarHBondContact O-N 2.89Å; Y327-A330 PolarHBondContact O-N 2.94Å; Y327-W331 WeakPolarHBondContact O-CB 3.41Å; Y327-W331 PolarHBondContact O-N 3.05Å
328K87.8Confident87.7Confident25 Ų2538.5 Ų38.511%0.10919%0.188CC..Hα-helixtrans-57.9-48.9169.8179.357.4173.9174.10111.8Q10 I12 L324 T326 W331 E332 F342Q10-K328 PolarHBondContact O-NZ 3.32Å; I12-K328 VanDerWaalsContact CD1-CA 3.49Å; I12-K328 HydrophobicContact CD1-CB 4.25Å; I12-K328 HydrophobicContact CD1-CD 3.89Å; I12-K328 HydrophobicContact CG1-CD 4.23Å; L324-K328 WeakPolarHBondContact O-CB 3.4Å; L324-K328 PolarHBondContact O-N 3.13Å; T326-K328 VanDerWaalsContact C-N 3.31Å; T326-K328 PolarHBondContact O-N 2.94Å; K328-W331 HydrophobicContact CD-CE3 4.28Å; K328-W331 VanDerWaalsContact NZ-CZ3 3.28Å; K328-E332 HydrophobicContact CD-CG 4.33Å; K328-E332 VanDerWaalsContact CE-OE1 3.26Å; K328-E332 WeakPolarHBondContact CE-OE1 3.42Å; K328-E332 IonicContact NZ-OE1 2.78Å; K328-E332 PolarHBondContact NZ-OE1 3.39Å; K328-E332 VanDerWaalsContact O-CG 3.29Å; K328-E332 WeakPolarHBondContact O-CG 3.43Å; K328-E332 PolarHBondContact O-N 3.12Å; K328-F342 HydrophobicContact CG-CD1 4.42Å
329A86.8Confident86.8Confident0 Ų038.2 Ų38.20%018%0.184CC..Hα-helixtrans-59.7-49.4174.700000110Q271 I325 T326 W331 E332 V333 N339 F342 A346Q271-A329 HydrophobicContact CG-CB 3.43Å; Q271-A329 VanDerWaalsContact CG-CB 3.43Å; I325-A329 WeakPolarHBondContact O-CB 3.39Å; I325-A329 PolarHBondContact O-N 3.2Å; T326-A329 WeakPolarHBondContact O-CB 3.4Å; T326-A329 PolarHBondContact O-N 2.95Å; A329-W331 VanDerWaalsContact C-N 3.33Å; A329-W331 PolarHBondContact O-N 3.3Å; A329-E332 WeakPolarHBondContact O-CB 3.42Å; A329-E332 PolarHBondContact O-N 2.74Å; A329-E332 VanDerWaalsContact O-N 3.11Å; A329-V333 PolarHBondContact O-N 2.93Å; A329-N339 VanDerWaalsContact C-ND2 3.27Å; A329-N339 WeakPolarHBondContact CA-OD1 3.17Å; A329-N339 VanDerWaalsContact O-CG 3.29Å; A329-N339 PolarHBondContact O-ND2 3.29Å; A329-F342 HydrophobicContact CB-CB 3.98Å; A329-A346 HydrophobicContact CB-CB 4.2Å
330A84.8Confident86Confident0 Ų038.3 Ų38.30%019%0.185CC..Hα-helixtrans-58.8-46-176.200000112L78 A81 Q271 T326 Y327 E332 V333 D334L78-A330 HydrophobicContact CB-CB 4.21Å; L78-A330 HydrophobicContact CD1-CB 4.33Å; A81-A330 HydrophobicContact CB-CB 4.11Å; Q271-A330 HydrophobicContact CB-CB 4.27Å; Q271-A330 HydrophobicContact CG-CB 4.33Å; T326-A330 PolarHBondContact O-N 3.41Å; Y327-A330 PolarHBondContact O-N 2.94Å; A330-E332 PolarHBondContact O-N 2.92Å; A330-V333 WeakPolarHBondContact O-CB 3.49Å; A330-V333 PolarHBondContact O-N 2.91Å; A330-D334 PolarHBondContact O-N 2.96Å; A330-D334 VanDerWaalsContact O-N 3.16Å
331W84.9Confident85.6Confident44 Ų4436.8 Ų36.817%0.16718%0.176CC..Hα-helixtrans-62.1-37.9175.8-177.478.2000113.8Q10 I12 Y327 K328 A329 V333 D334 Q335 R337Q10-W331 HydrophobicContact CB-CH2 4.09Å; Q10-W331 HydrophobicContact CB-CZ3 4.18Å; I12-W331 HydrophobicContact CD1-CB 3.24Å; I12-W331 HydrophobicContact CD1-CD2 3.67Å; I12-W331 HydrophobicContact CD1-CE3 3.84Å; I12-W331 HydrophobicContact CD1-CG 3.43Å; I12-W331 VanDerWaalsContact CD1-CG 3.43Å; I12-W331 HydrophobicContact CG1-CB 4.15Å; I12-W331 HydrophobicContact CG1-CD2 3.57Å; I12-W331 HydrophobicContact CG1-CE3 3.69Å; I12-W331 HydrophobicContact CG1-CG 3.78Å; I12-W331 HydrophobicContact CG1-CZ3 4.29Å; Y327-W331 WeakPolarHBondContact O-CB 3.41Å; Y327-W331 PolarHBondContact O-N 3.05Å; K328-W331 HydrophobicContact CD-CE3 4.28Å; K328-W331 VanDerWaalsContact NZ-CZ3 3.28Å; A329-W331 VanDerWaalsContact C-N 3.33Å; A329-W331 PolarHBondContact O-N 3.3Å; W331-V333 PolarHBondContact O-N 3.09Å; W331-D334 PolarHBondContact O-N 2.94Å; W331-D334 VanDerWaalsContact O-N 3.1Å; W331-Q335 HydrophobicContact CD2-CG 3.77Å; W331-Q335 HydrophobicContact CE3-CG 4.18Å; W331-Q335 HydrophobicContact CG-CG 4.27Å; W331-Q335 HydrophobicContact CH2-CG 4.15Å; W331-Q335 HydrophobicContact CZ2-CG 3.7Å; W331-Q335 HydrophobicContact CZ3-CG 4.38Å; W331-Q335 WeakPolarHBondContact O-CG 3.46Å; W331-Q335 PolarHBondContact O-N 3.48Å; W331-R337 VanDerWaalsContact CE3-NH2 3.32Å; W331-R337 VanDerWaalsContact CH2-NH2 3.28Å
332E83.5Confident85.2Confident10 Ų1036.7 Ų36.75%0.04717%0.172CC..Hα-helixtrans-59.1-32.7174.5-73.2-67.414100112.1K328 A329 A330 R337 N339 F342K328-E332 HydrophobicContact CD-CG 4.33Å; K328-E332 VanDerWaalsContact CE-OE1 3.26Å; K328-E332 WeakPolarHBondContact CE-OE1 3.42Å; K328-E332 IonicContact NZ-OE1 2.78Å; K328-E332 PolarHBondContact NZ-OE1 3.39Å; K328-E332 VanDerWaalsContact O-CG 3.29Å; K328-E332 WeakPolarHBondContact O-CG 3.43Å; K328-E332 PolarHBondContact O-N 3.12Å; A329-E332 WeakPolarHBondContact O-CB 3.42Å; A329-E332 PolarHBondContact O-N 2.74Å; A329-E332 VanDerWaalsContact O-N 3.11Å; A330-E332 PolarHBondContact O-N 2.92Å; E332-R337 PolarHBondContact O-N 3.46Å; E332-R337 VanDerWaalsContact O-N 3.09Å; E332-R337 IonicContact OE1-CZ 3Å; E332-R337 IonicContact OE1-NE 2.74Å; E332-R337 IonicContact OE1-NH2 2.79Å; E332-R337 PolarHBondContact OE1-NH2 2.84Å; E332-R337 IonicContact OE2-CZ 3.28Å; E332-R337 IonicContact OE2-NE 2.77Å; E332-R337 PolarHBondContact OE2-NE 3.07Å; E332-R337 IonicContact OE2-NH2 2.82Å; E332-R337 PolarHBondContact OE2-NH2 2.77Å; E332-R337 VanDerWaalsContact OE2-NH2 3.16Å; E332-N339 HydrophobicContact CB-CB 3.93Å; E332-F342 HydrophobicContact CG-CD2 3.8Å; E332-F342 HydrophobicContact CG-CE2 4.09Å
333V80.1Confident84.8Confident19 Ų1936.7 Ų36.712%0.11517%0.172CC..Hα-helixtrans-67.1-49.3171.7173.60000110.8S77 F266 A329 A330 W331 Q335 G336 N339S77-V333 WeakPolarHBondContact OG-CG1 3.06Å; F266-V333 HydrophobicContact CB-CG1 4.11Å; F266-V333 HydrophobicContact CD1-CB 4.13Å; F266-V333 HydrophobicContact CD1-CG1 3.71Å; F266-V333 HydrophobicContact CD1-CG2 4.32Å; F266-V333 WeakPolarHBondContact CE1-O 3.14Å; F266-V333 HydrophobicContact CG-CG1 4.24Å; A329-V333 PolarHBondContact O-N 2.93Å; A330-V333 WeakPolarHBondContact O-CB 3.49Å; A330-V333 PolarHBondContact O-N 2.91Å; W331-V333 PolarHBondContact O-N 3.09Å; V333-Q335 PolarHBondContact O-N 3.41Å; V333-Q335 VanDerWaalsContact O-N 3.12Å; V333-G336 PolarHBondContact O-N 2.91Å; V333-N339 HydrophobicContact CG2-CB 3.97Å; V333-N339 WeakPolarHBondContact CG2-ND2 3.38Å
334D82.2Confident84.5Confident54 Ų5434.8 Ų34.829%0.28916%0.164SC..Hα-helixtrans-62.2-23.4-177.7-59.5-29.7000113S77 L78 A330 W331 G336S77-D334 WeakPolarHBondContact CA-OD1 3.45Å; S77-D334 WeakPolarHBondContact CB-OD1 3.32Å; S77-D334 PolarHBondContact N-OD1 3.16Å; S77-D334 PolarHBondContact OG-OD1 2.8Å; L78-D334 VanDerWaalsContact CB-OD2 3.28Å; L78-D334 WeakPolarHBondContact CB-OD2 3.38Å; L78-D334 PolarHBondContact N-OD2 3.27Å; A330-D334 PolarHBondContact O-N 2.96Å; A330-D334 VanDerWaalsContact O-N 3.16Å; W331-D334 PolarHBondContact O-N 2.94Å; W331-D334 VanDerWaalsContact O-N 3.1Å; D334-G336 VanDerWaalsContact C-N 3.3Å
335Q81Confident84.5Confident94 Ų9432.6 Ų32.644%0.43915%0.153SC..THydrogen-bonded Turntrans-88.19.3176.6-62-63.4-63.800114.2W331 V333 R337W331-Q335 HydrophobicContact CD2-CG 3.77Å; W331-Q335 HydrophobicContact CE3-CG 4.18Å; W331-Q335 HydrophobicContact CG-CG 4.27Å; W331-Q335 HydrophobicContact CH2-CG 4.15Å; W331-Q335 HydrophobicContact CZ2-CG 3.7Å; W331-Q335 HydrophobicContact CZ3-CG 4.38Å; W331-Q335 WeakPolarHBondContact O-CG 3.46Å; W331-Q335 PolarHBondContact O-N 3.48Å; V333-Q335 PolarHBondContact O-N 3.41Å; V333-Q335 VanDerWaalsContact O-N 3.12Å; Q335-R337 HydrophobicContact CB-CG 4.47Å; Q335-R337 VanDerWaalsContact CB-CZ 3.43Å; Q335-R337 PolarHBondContact O-N 3.03Å
336G75.5Confident84.5Confident34 Ų3431.1 Ų31.135%0.35115%0.145SC..THydrogen-bonded Turntrans73.412.9178.700000113.8F266 V333 D334F266-G336 VanDerWaalsContact CZ-O 3.3Å; F266-G336 WeakPolarHBondContact CZ-O 3.43Å; V333-G336 PolarHBondContact O-N 2.91Å; D334-G336 VanDerWaalsContact C-N 3.3Å
337R77.9Confident84.6Confident60 Ų6031.1 Ų31.123%0.22615%0.145CC..  trans-100.6158.8-173.2-67.1-166.8-60.9-87-5.9113.5Q10 F266 W331 E332 Q335 N339Q10-R337 VanDerWaalsContact OE1-CZ 3.26Å; F266-R337 WeakPolarHBondContact CE1-O 3.38Å; W331-R337 VanDerWaalsContact CE3-NH2 3.32Å; W331-R337 VanDerWaalsContact CH2-NH2 3.28Å; E332-R337 PolarHBondContact O-N 3.46Å; E332-R337 VanDerWaalsContact O-N 3.09Å; E332-R337 IonicContact OE1-CZ 3Å; E332-R337 IonicContact OE1-NE 2.74Å; E332-R337 IonicContact OE1-NH2 2.79Å; E332-R337 PolarHBondContact OE1-NH2 2.84Å; E332-R337 IonicContact OE2-CZ 3.28Å; E332-R337 IonicContact OE2-NE 2.77Å; E332-R337 PolarHBondContact OE2-NE 3.07Å; E332-R337 IonicContact OE2-NH2 2.82Å; E332-R337 PolarHBondContact OE2-NH2 2.77Å; E332-R337 VanDerWaalsContact OE2-NH2 3.16Å; Q335-R337 HydrophobicContact CB-CG 4.47Å; Q335-R337 VanDerWaalsContact CB-CZ 3.43Å; Q335-R337 PolarHBondContact O-N 3.03Å; R337-N339 PolarHBondContact O-N 3.2Å
338R73.8Confident84.7Confident131 Ų13130.2 Ų30.249%0.49414%0.143SC..  trans-70.6121.1175.5178.5169.5-175.4-175.93.6111.2R262 P265 S340R262-R338 PolarHBondContact O-NH2 3.2Å; R262-R338 VanDerWaalsContact O-NH2 3.08Å; P265-R338 HydrophobicContact CB-CB 3.98Å; P265-R338 CarbonylContact O-C 3.59Å; P265-R338 WeakPolarHBondContact O-CA 3.23Å; R338-S340 PolarHBondContact NE-OG 3.26Å
339N78Confident85.1Confident0 Ų033.2 Ų33.20%015%0.154CC..  trans-121.32-169.4-172.523.5000114.3P265 Q271 A329 E332 V333 R337 Y341 F342 A343P265-N339 PolarHBondContact O-N 3.38Å; Q271-N339 PolarHBondContact NE2-ND2 3.41Å; A329-N339 VanDerWaalsContact C-ND2 3.27Å; A329-N339 WeakPolarHBondContact CA-OD1 3.17Å; A329-N339 VanDerWaalsContact O-CG 3.29Å; A329-N339 PolarHBondContact O-ND2 3.29Å; E332-N339 HydrophobicContact CB-CB 3.93Å; V333-N339 HydrophobicContact CG2-CB 3.97Å; V333-N339 WeakPolarHBondContact CG2-ND2 3.38Å; R337-N339 PolarHBondContact O-N 3.2Å; N339-Y341 PolarHBondContact O-N 2.82Å; N339-F342 PolarHBondContact O-N 3.14Å; N339-F342 WeakPolarHBondContact OD1-CB 3.42Å; N339-A343 WeakPolarHBondContact O-CB 3.38Å; N339-A343 PolarHBondContact O-N 2.81Å; N339-A343 PolarHBondContact OD1-N 3.1Å
340S80.8Confident85.6Confident6 Ų633.3 Ų33.34%0.04216%0.155CC..Hα-helixtrans-51.6-31.7-178.959.80000113.5R338 S344R338-S340 PolarHBondContact NE-OG 3.26Å; S340-S344 WeakPolarHBondContact O-CB 3.49Å; S340-S344 PolarHBondContact O-N 3.06Å; S340-S344 PolarHBondContact O-OG 3.38Å
341Y86.6Confident86.1Confident56 Ų5633.3 Ų33.322%0.2216%0.155CC..Hα-helixtrans-68.9-61.1176.3-179.4-111.4000112.7N339 A343 S344 I345 I409 H412 L413N339-Y341 PolarHBondContact O-N 2.82Å; Y341-A343 VanDerWaalsContact C-N 3.32Å; Y341-A343 PolarHBondContact O-N 3.2Å; Y341-S344 PolarHBondContact O-N 2.85Å; Y341-I345 HydrophobicContact CD1-CD1 3.96Å; Y341-I345 HydrophobicContact CD2-CD1 4.35Å; Y341-I345 HydrophobicContact CE1-CD1 3.48Å; Y341-I345 VanDerWaalsContact CE1-CD1 3.48Å; Y341-I345 HydrophobicContact CE2-CD1 3.93Å; Y341-I345 HydrophobicContact CG-CD1 4.38Å; Y341-I345 VanDerWaalsContact CZ-CD1 3.47Å; Y341-I345 WeakPolarHBondContact O-CG1 3.35Å; Y341-I345 PolarHBondContact O-N 2.81Å; Y341-I409 HydrophobicContact CE2-CG2 4.01Å; Y341-H412 HydrophobicContact CD2-CB 3.68Å; Y341-H412 AromaticContact CD2-CD2 3.27Å; Y341-H412 WeakPolarHBondContact CD2-CD2 3.26Å; Y341-H412 AromaticContact CD2-CG 3.56Å; Y341-H412 HydrophobicContact CE2-CB 4.24Å; Y341-H412 AromaticContact CE2-CD2 3.73Å; Y341-H412 AromaticContact CG-CD2 3.55Å; Y341-H412 AromaticContact CG-NE2 3.94Å; Y341-L413 HydrophobicContact CE2-CD2 4.28Å
342F88.3Confident86.7Confident53 Ų5333 Ų3323%0.23216%0.157CC..Hα-helixtrans-66.7-35-178.3-58-73.3000112I325 K328 A329 E332 N339 S344 I345 A346I325-F342 HydrophobicContact CD1-CB 4.35Å; I325-F342 HydrophobicContact CD1-CD1 3.88Å; K328-F342 HydrophobicContact CG-CD1 4.42Å; A329-F342 HydrophobicContact CB-CB 3.98Å; E332-F342 HydrophobicContact CG-CD2 3.8Å; E332-F342 HydrophobicContact CG-CE2 4.09Å; N339-F342 PolarHBondContact O-N 3.14Å; N339-F342 WeakPolarHBondContact OD1-CB 3.42Å; F342-S344 VanDerWaalsContact C-N 3.33Å; F342-S344 PolarHBondContact O-N 2.93Å; F342-I345 PolarHBondContact O-N 3.06Å; F342-A346 VanDerWaalsContact O-CB 3.31Å; F342-A346 WeakPolarHBondContact O-CB 3.38Å; F342-A346 PolarHBondContact O-N 3.42Å
343A86.4Confident87.3Confident0 Ų033.2 Ų33.20%016%0.158CC..Hα-helixtrans-57.6-44.2172.800000112.3V267 F270 Q271 N339 Y341 A346 K347V267-A343 HydrophobicContact CB-CB 4.29Å; F270-A343 HydrophobicContact CB-CB 4.03Å; F270-A343 HydrophobicContact CD2-CB 4.24Å; Q271-A343 VanDerWaalsContact NE2-CB 3.33Å; N339-A343 WeakPolarHBondContact O-CB 3.38Å; N339-A343 PolarHBondContact O-N 2.81Å; N339-A343 PolarHBondContact OD1-N 3.1Å; Y341-A343 VanDerWaalsContact C-N 3.32Å; Y341-A343 PolarHBondContact O-N 3.2Å; A343-A346 PolarHBondContact O-N 3.32Å; A343-K347 VanDerWaalsContact O-CB 3.32Å; A343-K347 WeakPolarHBondContact O-CB 3.39Å; A343-K347 PolarHBondContact O-N 3.44Å
344S89.8Confident88.1Confident1 Ų132.3 Ų32.31%0.00715%0.153CC..Hα-helixtrans-68.2-38.9177.7-57.90000112.1S340 Y341 F342 A348 Q405 I408S340-S344 WeakPolarHBondContact O-CB 3.49Å; S340-S344 PolarHBondContact O-N 3.06Å; S340-S344 PolarHBondContact O-OG 3.38Å; Y341-S344 PolarHBondContact O-N 2.85Å; F342-S344 VanDerWaalsContact C-N 3.33Å; F342-S344 PolarHBondContact O-N 2.93Å; S344-A348 VanDerWaalsContact O-CB 3.3Å; S344-A348 WeakPolarHBondContact O-CB 3.44Å; S344-A348 PolarHBondContact O-N 2.83Å; S344-Q405 PolarHBondContact OG-OE1 3.26Å; S344-I408 VanDerWaalsContact OG-CG2 3.22Å; S344-I408 WeakPolarHBondContact OG-CG2 3.15Å
345I92.6Very high88.7Confident42 Ų4231 Ų3122%0.21515%0.146CC..Hα-helixtrans-63-51.4174.4-63.5172.4000109.7I325 Y341 F342 K347 A348 Y349 I409I325-I345 HydrophobicContact CD1-CB 4.48Å; I325-I345 HydrophobicContact CD1-CG2 4.19Å; I325-I345 HydrophobicContact CG1-CB 4.2Å; I325-I345 HydrophobicContact CG1-CG2 3.74Å; Y341-I345 HydrophobicContact CD1-CD1 3.96Å; Y341-I345 HydrophobicContact CD2-CD1 4.35Å; Y341-I345 HydrophobicContact CE1-CD1 3.48Å; Y341-I345 VanDerWaalsContact CE1-CD1 3.48Å; Y341-I345 HydrophobicContact CE2-CD1 3.93Å; Y341-I345 HydrophobicContact CG-CD1 4.38Å; Y341-I345 VanDerWaalsContact CZ-CD1 3.47Å; Y341-I345 WeakPolarHBondContact O-CG1 3.35Å; Y341-I345 PolarHBondContact O-N 2.81Å; F342-I345 PolarHBondContact O-N 3.06Å; I345-K347 PolarHBondContact O-N 3.38Å; I345-A348 PolarHBondContact O-N 2.81Å; I345-Y349 WeakPolarHBondContact O-CB 3.38Å; I345-Y349 PolarHBondContact O-N 2.85Å; I345-I409 HydrophobicContact CB-CD1 4.43Å; I345-I409 HydrophobicContact CG1-CD1 3.76Å; I345-I409 HydrophobicContact CG1-CG1 3.92Å
346A92.5Very high89.4Confident0 Ų031.6 Ų31.60%015%0.147CC..Hα-helixtrans-55.6-51.2179.500000111A274 I325 A329 F342 A343 A350A274-A346 HydrophobicContact CB-CB 3.88Å; I325-A346 HydrophobicContact CG1-CB 4.19Å; I325-A346 HydrophobicContact CG2-CB 4.19Å; A329-A346 HydrophobicContact CB-CB 4.2Å; F342-A346 VanDerWaalsContact O-CB 3.31Å; F342-A346 WeakPolarHBondContact O-CB 3.38Å; F342-A346 PolarHBondContact O-N 3.42Å; A343-A346 PolarHBondContact O-N 3.32Å; A346-A350 WeakPolarHBondContact O-CB 3.5Å; A346-A350 PolarHBondContact O-N 2.99Å
347K91.7Very high90.3Very high0 Ų030.1 Ų30.10%013%0.131CC..Hα-helixtrans-56.5-56.3177.7-165.6-61.3-166.3175.40111.2F270 I273 A343 I345 Y349 S351 Y395 Y398 G400 Q405F270-K347 HydrophobicContact CB-CB 4.28Å; F270-K347 HydrophobicContact CB-CG 4.49Å; F270-K347 HydrophobicContact CG-CG 4.45Å; I273-K347 HydrophobicContact CG2-CG 4.47Å; A343-K347 VanDerWaalsContact O-CB 3.32Å; A343-K347 WeakPolarHBondContact O-CB 3.39Å; A343-K347 PolarHBondContact O-N 3.44Å; I345-K347 PolarHBondContact O-N 3.38Å; K347-Y349 PolarHBondContact O-N 3.03Å; K347-S351 WeakPolarHBondContact O-CB 3.18Å; K347-S351 PolarHBondContact O-N 3.18Å; K347-S351 VanDerWaalsContact O-N 3.12Å; K347-S351 PolarHBondContact O-OG 3.07Å; K347-Y395 PolarHBondContact NZ-O 3.46Å; K347-Y398 PolarHBondContact NZ-O 3.08Å; K347-G400 WeakPolarHBondContact CE-O 3.27Å; K347-G400 PolarHBondContact NZ-O 2.94Å; K347-Q405 HydrophobicContact CB-CG 4.21Å; K347-Q405 HydrophobicContact CD-CG 3.77Å; K347-Q405 HydrophobicContact CG-CG 4.1Å
348A94.4Very high91Very high6 Ų627.2 Ų27.25%0.0512%0.12CC..Hα-helixtrans-61.9-47.4-176.100000111.9S344 I345 D352 Q405S344-A348 VanDerWaalsContact O-CB 3.3Å; S344-A348 WeakPolarHBondContact O-CB 3.44Å; S344-A348 PolarHBondContact O-N 2.83Å; I345-A348 PolarHBondContact O-N 2.81Å; A348-D352 PolarHBondContact O-N 2.74Å; A348-Q405 HydrophobicContact CB-CB 3.88Å
349Y96.3Very high91.8Very high88 Ų8824.1 Ų24.135%0.34512%0.116SC..Hα-helixtrans-71.5-49.5-174.6-175.3-108.2000112.2T321 A322 I325 I345 K347 S351 D352 V353T321-Y349 VanDerWaalsContact OG1-CE1 3.27Å; T321-Y349 WeakPolarHBondContact OG1-CE1 3.32Å; T321-Y349 PolarHBondContact OG1-OH 3.03Å; A322-Y349 HydrophobicContact CB-CD1 4.03Å; A322-Y349 HydrophobicContact CB-CE1 4.05Å; I325-Y349 HydrophobicContact CG2-CD1 4.16Å; I345-Y349 WeakPolarHBondContact O-CB 3.38Å; I345-Y349 PolarHBondContact O-N 2.85Å; K347-Y349 PolarHBondContact O-N 3.03Å; Y349-S351 VanDerWaalsContact C-N 3.28Å; Y349-S351 PolarHBondContact O-N 2.76Å; Y349-D352 PolarHBondContact O-N 3.44Å; Y349-D352 VanDerWaalsContact O-N 3.13Å; Y349-V353 HydrophobicContact CD1-CG2 4.17Å; Y349-V353 HydrophobicContact CD2-CG2 4.47Å; Y349-V353 HydrophobicContact CE1-CG2 3.8Å; Y349-V353 HydrophobicContact CE2-CG2 4.12Å; Y349-V353 HydrophobicContact CG-CG2 4.49Å; Y349-V353 WeakPolarHBondContact O-CG2 3.34Å; Y349-V353 PolarHBondContact O-N 3.36Å
350A96.1Very high92.4Very high1 Ų124.8 Ų24.81%0.00812%0.12CC..Hα-helixtrans-62.1-37.1178.500000111.9A274 A277 V278 A322 A346 D352 V353 A354A274-A350 HydrophobicContact CB-CB 3.98Å; A277-A350 HydrophobicContact CB-CB 3.99Å; V278-A350 HydrophobicContact CG2-CB 4.07Å; A322-A350 HydrophobicContact CB-CB 4.04Å; A346-A350 WeakPolarHBondContact O-CB 3.5Å; A346-A350 PolarHBondContact O-N 2.99Å; A350-D352 VanDerWaalsContact C-N 3.35Å; A350-D352 PolarHBondContact O-N 2.98Å; A350-V353 PolarHBondContact O-N 2.99Å; A350-A354 VanDerWaalsContact O-CB 3.29Å; A350-A354 WeakPolarHBondContact O-CB 3.33Å; A350-A354 PolarHBondContact O-N 2.77Å
351S95.1Very high92.6Very high0 Ų024.5 Ų24.50%012%0.118CC..Hα-helixtrans-62.2-41.6174.7-59.10000112.4K347 Y349 N355 Y395K347-S351 WeakPolarHBondContact O-CB 3.18Å; K347-S351 PolarHBondContact O-N 3.18Å; K347-S351 VanDerWaalsContact O-N 3.12Å; K347-S351 PolarHBondContact O-OG 3.07Å; Y349-S351 VanDerWaalsContact C-N 3.28Å; Y349-S351 PolarHBondContact O-N 2.76Å; S351-N355 PolarHBondContact O-N 2.7Å; S351-N355 PolarHBondContact O-ND2 2.72Å; S351-Y395 PolarHBondContact OG-O 3.19Å
352D97.2Very high92.5Very high39 Ų3922.8 Ų22.821%0.20911%0.113CC..Hα-helixtrans-72-41.4-180-67.1-13000111A348 Y349 A350 N355 K356 Q396 R406A348-D352 PolarHBondContact O-N 2.74Å; Y349-D352 PolarHBondContact O-N 3.44Å; Y349-D352 VanDerWaalsContact O-N 3.13Å; A350-D352 VanDerWaalsContact C-N 3.35Å; A350-D352 PolarHBondContact O-N 2.98Å; D352-N355 PolarHBondContact O-N 3.28Å; D352-K356 WeakPolarHBondContact O-CB 3.28Å; D352-K356 PolarHBondContact O-N 3.26Å; D352-Q396 PolarHBondContact OD1-NE2 3.28Å; D352-R406 IonicContact OD2-CZ 2.78Å; D352-R406 IonicContact OD2-NH1 3.87Å; D352-R406 PolarHBondContact OD2-NH1 3.21Å; D352-R406 IonicContact OD2-NH2 2.71Å; D352-R406 PolarHBondContact OD2-NH2 3.48Å
353V97.2Very high92.3Very high14 Ų1423.8 Ų23.89%0.08512%0.118CC..Hα-helixtrans-58.7-46.4172.2167.40000110.9A281 G318 A322 Y349 A350 N355 K356 C357A281-V353 HydrophobicContact CB-CG1 4.09Å; G318-V353 VanDerWaalsContact C-CG1 3.44Å; A322-V353 HydrophobicContact CB-CB 4.37Å; A322-V353 HydrophobicContact CB-CG1 4.3Å; A322-V353 HydrophobicContact CB-CG2 4.34Å; Y349-V353 HydrophobicContact CD1-CG2 4.17Å; Y349-V353 HydrophobicContact CD2-CG2 4.47Å; Y349-V353 HydrophobicContact CE1-CG2 3.8Å; Y349-V353 HydrophobicContact CE2-CG2 4.12Å; Y349-V353 HydrophobicContact CG-CG2 4.49Å; Y349-V353 WeakPolarHBondContact O-CG2 3.34Å; Y349-V353 PolarHBondContact O-N 3.36Å; A350-V353 PolarHBondContact O-N 2.99Å; V353-N355 VanDerWaalsContact C-N 3.32Å; V353-N355 PolarHBondContact O-N 3.03Å; V353-K356 PolarHBondContact O-N 2.95Å; V353-C357 WeakPolarHBondContact O-CB 3.38Å; V353-C357 PolarHBondContact O-N 2.74Å; V353-C357 PolarHBondContact O-SG 3.28Å; V353-C357 VanDerWaalsContact O-SG 3.38Å
354A95.9Very high91.8Very high0 Ų023.8 Ų23.80%012%0.118CC..Hα-helixtrans-58.5-42.817800000112.5A277 L280 A281 A350 A358A277-A354 HydrophobicContact CB-CB 3.92Å; A277-A354 WeakPolarHBondContact O-CB 3.11Å; L280-A354 HydrophobicContact CD2-CB 4.17Å; A281-A354 HydrophobicContact CB-CB 4.38Å; A350-A354 VanDerWaalsContact O-CB 3.29Å; A350-A354 WeakPolarHBondContact O-CB 3.33Å; A350-A354 PolarHBondContact O-N 2.77Å; A354-A358 VanDerWaalsContact O-CB 3.29Å; A354-A358 WeakPolarHBondContact O-CB 3.1Å; A354-A358 PolarHBondContact O-N 3.11Å
355N96Very high91.1Very high25 Ų2523.9 Ų23.913%0.13412%0.119CC..Hα-helixtrans-66.2-42.4176-83-98.7000112S351 D352 V353 T359 A392 K393S351-N355 PolarHBondContact O-N 2.7Å; S351-N355 PolarHBondContact O-ND2 2.72Å; D352-N355 PolarHBondContact O-N 3.28Å; V353-N355 VanDerWaalsContact C-N 3.32Å; V353-N355 PolarHBondContact O-N 3.03Å; N355-T359 WeakPolarHBondContact O-CB 3.44Å; N355-T359 PolarHBondContact O-N 2.67Å; N355-T359 PolarHBondContact O-OG1 3.16Å; N355-A392 PolarHBondContact ND2-O 3.05Å; N355-K393 WeakPolarHBondContact OD1-CA 3.25Å
356K95.5Very high89.8Confident107 Ų10726.1 Ų26.147%0.46512%0.124SC..Hα-helixtrans-64.3-51.1178.2-175.661.4167.974.30111D352 V353 A358 T359 D360D352-K356 WeakPolarHBondContact O-CB 3.28Å; D352-K356 PolarHBondContact O-N 3.26Å; V353-K356 PolarHBondContact O-N 2.95Å; K356-A358 VanDerWaalsContact C-N 3.32Å; K356-A358 PolarHBondContact O-N 3.32Å; K356-T359 WeakPolarHBondContact O-CB 3.41Å; K356-T359 PolarHBondContact O-N 2.77Å; K356-D360 IonicContact NZ-OD1 2.71Å; K356-D360 PolarHBondContact NZ-OD1 3.16Å; K356-D360 IonicContact NZ-OD2 2.6Å; K356-D360 PolarHBondContact NZ-OD2 2.86Å; K356-D360 WeakPolarHBondContact O-CB 3.41Å; K356-D360 PolarHBondContact O-N 2.86Å
357C94.4Very high88.3Confident3 Ų329.2 Ų29.22%0.0214%0.139CC..Hα-helixtrans-60-39.4177.4-69.80000112.4A281 C284 M315 V353 D360 A361A281-C357 HydrophobicContact CB-CB 4.12Å; C284-C357 HydrophobicContact CB-CB 4.08Å; M315-C357 HydrophobicContact CE-CB 3.99Å; M315-C357 WeakPolarHBondContact CE-O 3.48Å; M315-C357 HydrophobicContact CG-CB 4.41Å; V353-C357 WeakPolarHBondContact O-CB 3.38Å; V353-C357 PolarHBondContact O-N 2.74Å; V353-C357 PolarHBondContact O-SG 3.28Å; V353-C357 VanDerWaalsContact O-SG 3.38Å; C357-D360 PolarHBondContact O-N 2.98Å; C357-A361 VanDerWaalsContact O-CB 3.25Å; C357-A361 WeakPolarHBondContact O-CB 3.23Å; C357-A361 PolarHBondContact O-N 3.39Å
358A92Very high86.7Confident0 Ų029.5 Ų29.50%014%0.141CC..Hα-helixtrans-68.6-39.6177.300000112.3L280 A354 K356 V362 M389 A392L280-A358 HydrophobicContact CD2-CB 4.28Å; A354-A358 VanDerWaalsContact O-CB 3.29Å; A354-A358 WeakPolarHBondContact O-CB 3.1Å; A354-A358 PolarHBondContact O-N 3.11Å; K356-A358 VanDerWaalsContact C-N 3.32Å; K356-A358 PolarHBondContact O-N 3.32Å; A358-V362 WeakPolarHBondContact O-CG2 3.1Å; A358-V362 PolarHBondContact O-N 3.1Å; A358-M389 HydrophobicContact CB-CB 4.05Å; A358-M389 HydrophobicContact CB-CG 4.36Å; A358-A392 HydrophobicContact CB-CB 3.85Å
359T92Very high84.4Confident66 Ų6636.3 Ų36.341%0.40517%0.166SC..Hα-helixtrans-63.3-44.6173.7-56.10000111.2N355 K356 V362 Q363N355-T359 WeakPolarHBondContact O-CB 3.44Å; N355-T359 PolarHBondContact O-N 2.67Å; N355-T359 PolarHBondContact O-OG1 3.16Å; K356-T359 WeakPolarHBondContact O-CB 3.41Å; K356-T359 PolarHBondContact O-N 2.77Å; T359-V362 PolarHBondContact O-N 3.45Å; T359-Q363 WeakPolarHBondContact O-CB 3.47Å; T359-Q363 PolarHBondContact O-N 2.96Å
360D90Very high81.9Confident14 Ų1438.5 Ų38.58%0.07518%0.183CC..Hα-helixtrans-67.7-39.5-179.7-73.4-14.3000112.2I311 M315 K356 C357 V362 Q363 V364I311-D360 HydrophobicContact CG2-CB 3.6Å; M315-D360 HydrophobicContact CG-CB 3.99Å; M315-D360 HydrophobicContact SD-CB 3.75Å; K356-D360 IonicContact NZ-OD1 2.71Å; K356-D360 PolarHBondContact NZ-OD1 3.16Å; K356-D360 IonicContact NZ-OD2 2.6Å; K356-D360 PolarHBondContact NZ-OD2 2.86Å; K356-D360 WeakPolarHBondContact O-CB 3.41Å; K356-D360 PolarHBondContact O-N 2.86Å; C357-D360 PolarHBondContact O-N 2.98Å; D360-V362 PolarHBondContact O-N 3.16Å; D360-Q363 CarbonylContact O-C 3.52Å; D360-Q363 WeakPolarHBondContact O-CA 3.32Å; D360-Q363 WeakPolarHBondContact O-CB 3.46Å; D360-Q363 PolarHBondContact O-N 3.12Å; D360-Q363 VanDerWaalsContact O-N 3.07Å; D360-V364 WeakPolarHBondContact O-CG2 3.4Å; D360-V364 PolarHBondContact O-N 3.05Å
361A85Confident79.3Confident0 Ų045.4 Ų45.40%022%0.219CC..Hα-helixtrans-60.9-45.8176.200000111.3C284 A288 M315 C357 Q363 V364 E365 V385C284-A361 HydrophobicContact CB-CB 3.96Å; A288-A361 HydrophobicContact CB-CB 4.15Å; M315-A361 HydrophobicContact CE-CB 4.14Å; C357-A361 VanDerWaalsContact O-CB 3.25Å; C357-A361 WeakPolarHBondContact O-CB 3.23Å; C357-A361 PolarHBondContact O-N 3.39Å; A361-Q363 VanDerWaalsContact C-N 3.28Å; A361-Q363 PolarHBondContact O-N 3.26Å; A361-V364 PolarHBondContact O-N 3.09Å; A361-E365 PolarHBondContact O-N 3.39Å; A361-E365 VanDerWaalsContact O-N 3.08Å; A361-V385 HydrophobicContact CB-CB 4.35Å; A361-V385 HydrophobicContact CB-CG1 3.91Å
362V84.5Confident76.8Confident19 Ų1947.3 Ų47.312%0.11523%0.232CC..Hα-helixtrans-59.2-41.6171.81730000110.8A358 T359 D360 E365 W366 V385 M389A358-V362 WeakPolarHBondContact O-CG2 3.1Å; A358-V362 PolarHBondContact O-N 3.1Å; T359-V362 PolarHBondContact O-N 3.45Å; D360-V362 PolarHBondContact O-N 3.16Å; V362-E365 PolarHBondContact O-N 2.97Å; V362-W366 VanDerWaalsContact O-CB 3.26Å; V362-W366 WeakPolarHBondContact O-CB 3.34Å; V362-W366 PolarHBondContact O-N 3.5Å; V362-V385 HydrophobicContact CG2-CB 4.13Å; V362-V385 HydrophobicContact CG2-CG2 3.95Å; V362-M389 HydrophobicContact CB-SD 4.48Å; V362-M389 HydrophobicContact CG2-CB 4.27Å; V362-M389 HydrophobicContact CG2-SD 3.92Å
363Q82.7Confident74.1Confident75 Ų7552.5 Ų52.535%0.3527%0.265SS..Hα-helixtrans-65.5-41.2178.8-175.3608300112.8T359 D360 A361 W366 M367T359-Q363 WeakPolarHBondContact O-CB 3.47Å; T359-Q363 PolarHBondContact O-N 2.96Å; D360-Q363 CarbonylContact O-C 3.52Å; D360-Q363 WeakPolarHBondContact O-CA 3.32Å; D360-Q363 WeakPolarHBondContact O-CB 3.46Å; D360-Q363 PolarHBondContact O-N 3.12Å; D360-Q363 VanDerWaalsContact O-N 3.07Å; A361-Q363 VanDerWaalsContact C-N 3.28Å; A361-Q363 PolarHBondContact O-N 3.26Å; Q363-W366 CarbonylContact O-C 3.41Å; Q363-W366 WeakPolarHBondContact O-CB 2.99Å; Q363-W366 PolarHBondContact O-N 3.23Å; Q363-W366 VanDerWaalsContact O-N 3.14Å; Q363-M367 HydrophobicContact CG-CG 4.27Å; Q363-M367 HydrophobicContact CG-SD 4.05Å; Q363-M367 WeakPolarHBondContact O-CB 3.11Å; Q363-M367 VanDerWaalsContact O-CG 3.23Å; Q363-M367 WeakPolarHBondContact O-CG 3.49Å; Q363-M367 PolarHBondContact O-N 3.25Å
364V77.7Confident71.1Confident0 Ų060.7 Ų60.70%030%0.3CS..Hα-helixtrans-61.9-45.3176168.60000110.2A288 I302 V308 I311 L312 D360 A361 W366 M367A288-V364 HydrophobicContact CB-CB 4.42Å; A288-V364 HydrophobicContact CB-CG1 4.37Å; I302-V364 HydrophobicContact CD1-CG1 4.37Å; V308-V364 HydrophobicContact CG1-CG1 4.03Å; V308-V364 HydrophobicContact CG1-CG2 4.34Å; I311-V364 HydrophobicContact CB-CG2 4.29Å; I311-V364 HydrophobicContact CG2-CG2 3.72Å; L312-V364 HydrophobicContact CD2-CG2 4.42Å; D360-V364 WeakPolarHBondContact O-CG2 3.4Å; D360-V364 PolarHBondContact O-N 3.05Å; A361-V364 PolarHBondContact O-N 3.09Å; V364-W366 PolarHBondContact O-N 2.8Å; V364-M367 PolarHBondContact O-N 3.23Å
365E74.4Confident68.9Low3 Ų361 Ų611%0.01430%0.303CS..Hα-helixtrans-64.9-28.5175.3-69.6-168-15900112.7Y291 A361 V362 G378 Y383 V385Y291-E365 HydrophobicContact CD1-CB 4.35Å; Y291-E365 HydrophobicContact CD1-CG 3.88Å; Y291-E365 HydrophobicContact CD2-CG 4.19Å; Y291-E365 HydrophobicContact CE1-CB 4.26Å; Y291-E365 HydrophobicContact CE1-CG 4.26Å; Y291-E365 HydrophobicContact CG-CG 3.85Å; A361-E365 PolarHBondContact O-N 3.39Å; A361-E365 VanDerWaalsContact O-N 3.08Å; V362-E365 PolarHBondContact O-N 2.97Å; E365-G378 WeakPolarHBondContact OE2-CA 3.41Å; E365-G378 PolarHBondContact OE2-N 2.65Å; E365-Y383 WeakPolarHBondContact OE2-CB 3.32Å; E365-Y383 WeakPolarHBondContact OE2-CD1 3.27Å; E365-V385 VanDerWaalsContact CD-CG2 3.43Å; E365-V385 HydrophobicContact CG-CG2 4.43Å; E365-V385 WeakPolarHBondContact OE1-CG1 3.06Å; E365-V385 VanDerWaalsContact OE1-CG2 3.28Å; E365-V385 WeakPolarHBondContact OE1-CG2 3.49Å; E365-V385 WeakPolarHBondContact OE2-CG2 3.39Å
366W64.9Low67.1Low89 Ų8961.2 Ų61.234%0.33731%0.311SS..Hα-helixtrans-82.5-25.5177.1-167.796.1000114.2V362 Q363 V364 S368 R369V362-W366 VanDerWaalsContact O-CB 3.26Å; V362-W366 WeakPolarHBondContact O-CB 3.34Å; V362-W366 PolarHBondContact O-N 3.5Å; Q363-W366 CarbonylContact O-C 3.41Å; Q363-W366 WeakPolarHBondContact O-CB 2.99Å; Q363-W366 PolarHBondContact O-N 3.23Å; Q363-W366 VanDerWaalsContact O-N 3.14Å; V364-W366 PolarHBondContact O-N 2.8Å; W366-S368 PolarHBondContact O-N 3.32Å; W366-R369 HydrophobicContact CE3-CB 4.38Å; W366-R369 VanDerWaalsContact CH2-CD 3.45Å; W366-R369 HydrophobicContact CZ3-CB 4.38Å
367M62Low65.7Low64 Ų6458.2 Ų58.232%0.31530%0.3SS..THydrogen-bonded Turntrans-66.710.1-175.3-85.2173.277.800114.8A307 V308 I311 Q363 V364 R369A307-M367 HydrophobicContact CB-CE 3.84Å; V308-M367 HydrophobicContact CG2-CE 3.83Å; V308-M367 HydrophobicContact CG2-SD 4.37Å; I311-M367 HydrophobicContact CD1-CE 4.26Å; I311-M367 HydrophobicContact CD1-SD 3.53Å; I311-M367 VanDerWaalsContact CD1-SD 3.53Å; Q363-M367 HydrophobicContact CG-CG 4.27Å; Q363-M367 HydrophobicContact CG-SD 4.05Å; Q363-M367 WeakPolarHBondContact O-CB 3.11Å; Q363-M367 VanDerWaalsContact O-CG 3.23Å; Q363-M367 WeakPolarHBondContact O-CG 3.49Å; Q363-M367 PolarHBondContact O-N 3.25Å; V364-M367 PolarHBondContact O-N 3.23Å; M367-R369 PolarHBondContact O-N 3.01Å; M367-R369 VanDerWaalsContact O-N 3.15Å
368S57Low64.1Low6 Ų658.1 Ų58.14%0.04230%0.3CS..THydrogen-bonded Turntrans-72.610.3167.6-175.60000114.4R295 W366 L370R295-S368 PolarHBondContact NE-OG 3.49Å; R295-S368 VanDerWaalsContact NE-OG 3.14Å; R295-S368 PolarHBondContact NH2-OG 3.07Å; W366-S368 PolarHBondContact O-N 3.32Å; S368-L370 PolarHBondContact O-N 3.33Å
369R47Very low63.4Low150 Ų15066.3 Ų66.357%0.56634%0.336SS*.THydrogen-bonded Turntrans-81.126.7-155.9-121.9-173.7-172.5-159.1-0.9119.2W366 M367W366-R369 HydrophobicContact CE3-CB 4.38Å; W366-R369 VanDerWaalsContact CH2-CD 3.45Å; W366-R369 HydrophobicContact CZ3-CB 4.38Å; M367-R369 PolarHBondContact O-N 3.01Å; M367-R369 VanDerWaalsContact O-N 3.15Å
370L44.1Very low62.8Low133 Ų13364.8 Ų64.870%0.69633%0.328SS*.THydrogen-bonded Turntrans-116.4-3173.6-88.5167.2000116.8F298 S368F298-L370 HydrophobicContact CE1-CB 4.39Å; F298-L370 HydrophobicContact CE2-CB 4.08Å; F298-L370 HydrophobicContact CE2-CD1 4.33Å; F298-L370 HydrophobicContact CZ-CB 3.46Å; F298-L370 VanDerWaalsContact CZ-CB 3.46Å; F298-L370 HydrophobicContact CZ-CD1 3.61Å; F298-L370 HydrophobicContact CZ-CG 4.15Å; S368-L370 PolarHBondContact O-N 3.33Å
371L41.3Very low62.3Low147 Ų14768.2 Ų68.277%0.7735%0.353SS*.THydrogen-bonded Turntrans-136-3.6178.1-80166.6000116.5
372S41.9Very low62.1Low39 Ų3974.7 Ų74.727%0.27339%0.387SS..  trans-140115.6178.647.20000111.1R295 F374 G375R295-S372 PolarHBondContact NH2-OG 3.48Å; S372-F374 PolarHBondContact O-N 3.18Å; S372-G375 PolarHBondContact O-N 2.99Å; S372-G375 VanDerWaalsContact O-N 3.11Å
373V41Very low62Low148 Ų14877.4 Ų77.490%0.89740%0.396SS*.THydrogen-bonded Turntrans-57-13.2177.1-177.80000112.5
374F34.5Very low62.3Low186 Ų18676 Ų7682%0.81639%0.393SS*.THydrogen-bonded Turntrans-99.313178.5-63.4-74.1000115.5S372 G376S372-F374 PolarHBondContact O-N 3.18Å; F374-G376 VanDerWaalsContact C-N 3.26Å; F374-G376 PolarHBondContact O-N 2.92Å
375G48.3Very low62.8Low8 Ų876 Ų768%0.08239%0.393CS..  trans-71.661.8-175.900000116.1S372S372-G375 PolarHBondContact O-N 2.99Å; S372-G375 VanDerWaalsContact O-N 3.11Å
376G58.3Low63.6Low28 Ų2877.8 Ų77.829%0.28940%0.402SS..  trans-121.521-179.400000114.3F374 G378 F379 S380F374-G376 VanDerWaalsContact C-N 3.26Å; F374-G376 PolarHBondContact O-N 2.92Å; G376-G378 PolarHBondContact O-N 3.06Å; G376-F379 WeakPolarHBondContact O-CA 3.37Å; G376-F379 WeakPolarHBondContact O-CB 3.14Å; G376-F379 PolarHBondContact O-N 2.72Å; G376-S380 PolarHBondContact O-N 2.74Å
377N66.9Low65Low45 Ų4574.6 Ų74.624%0.24139%0.39CS..G310 helixtrans-55.9-45.7-169.4-74.415.6000113.4F379 S380 Y383N377-F379 PolarHBondContact O-N 3.06Å; N377-F379 VanDerWaalsContact O-N 3.08Å; N377-S380 WeakPolarHBondContact O-CA 3.25Å; N377-S380 WeakPolarHBondContact O-CB 2.99Å; N377-S380 PolarHBondContact O-N 3.4Å; N377-Y383 HydrophobicContact CB-CD2 3.66Å; N377-Y383 HydrophobicContact CB-CE1 4.36Å; N377-Y383 HydrophobicContact CB-CE2 3.31Å; N377-Y383 HydrophobicContact CB-CG 4.31Å; N377-Y383 VanDerWaalsContact CG-CE2 3.43Å; N377-Y383 VanDerWaalsContact ND2-CZ 3.35Å; N377-Y383 PolarHBondContact ND2-OH 3.46Å; N377-Y383 WeakPolarHBondContact O-CD2 3.43Å
378G61Low66.5Low1 Ų171.8 Ų71.81%0.0138%0.376CS..G310 helixtrans-67.2-10.4176.900000115.4E365 G376E365-G378 WeakPolarHBondContact OE2-CA 3.41Å; E365-G378 PolarHBondContact OE2-N 2.65Å; G376-G378 PolarHBondContact O-N 3.06Å
379F76.7Confident68.3Low172 Ų17275.3 Ų75.375%0.75439%0.393SS*.G310 helixtrans-99.3-10.5171.4-165-100.5000112.2G376 N377G376-F379 WeakPolarHBondContact O-CA 3.37Å; G376-F379 WeakPolarHBondContact O-CB 3.14Å; G376-F379 PolarHBondContact O-N 2.72Å; N377-F379 PolarHBondContact O-N 3.06Å; N377-F379 VanDerWaalsContact O-N 3.08Å
380S80.5Confident70.6Confident34 Ų3469.8 Ų69.824%0.23837%0.372CS..SBendtrans-80.4141.2174.4-173.70000110.3G376 N377 D382 Y383G376-S380 PolarHBondContact O-N 2.74Å; N377-S380 WeakPolarHBondContact O-CA 3.25Å; N377-S380 WeakPolarHBondContact O-CB 2.99Å; N377-S380 PolarHBondContact O-N 3.4Å; S380-D382 PolarHBondContact O-N 3.16Å; S380-D382 VanDerWaalsContact O-N 3.1Å; S380-D382 VanDerWaalsContact OG-CG 3.22Å; S380-D382 PolarHBondContact OG-N 3.39Å; S380-D382 PolarHBondContact OG-OD2 2.8Å; S380-Y383 PolarHBondContact O-N 3.06Å; S380-Y383 VanDerWaalsContact O-N 3.13Å
381S78.9Confident73Confident86 Ų8663.5 Ų63.560%0.60134%0.339SS*.THydrogen-bonded Turntrans-64.3-7.4169.652.70000113.8Y383S381-Y383 PolarHBondContact O-N 3.43Å
382D79.5Confident75.6Confident136 Ų13656.5 Ų56.573%0.72730%0.303SS*.THydrogen-bonded Turntrans-69.9-20.7172.5-56.5-38.2000112.3S380S380-D382 PolarHBondContact O-N 3.16Å; S380-D382 VanDerWaalsContact O-N 3.1Å; S380-D382 VanDerWaalsContact OG-CG 3.22Å; S380-D382 PolarHBondContact OG-N 3.39Å; S380-D382 PolarHBondContact OG-OD2 2.8Å
383Y82.9Confident78.2Confident75 Ų7558.9 Ų58.929%0.29431%0.308SS..SBendtrans-110.7140.1-179.1-69.1-93.2000111Y291 E365 N377 S380 S381 V385Y291-Y383 HydrophobicContact CD2-CE1 4.38Å; Y291-Y383 HydrophobicContact CE2-CE1 4.27Å; E365-Y383 WeakPolarHBondContact OE2-CB 3.32Å; E365-Y383 WeakPolarHBondContact OE2-CD1 3.27Å; N377-Y383 HydrophobicContact CB-CD2 3.66Å; N377-Y383 HydrophobicContact CB-CE1 4.36Å; N377-Y383 HydrophobicContact CB-CE2 3.31Å; N377-Y383 HydrophobicContact CB-CG 4.31Å; N377-Y383 VanDerWaalsContact CG-CE2 3.43Å; N377-Y383 VanDerWaalsContact ND2-CZ 3.35Å; N377-Y383 PolarHBondContact ND2-OH 3.46Å; N377-Y383 WeakPolarHBondContact O-CD2 3.43Å; S380-Y383 PolarHBondContact O-N 3.06Å; S380-Y383 VanDerWaalsContact O-N 3.13Å; S381-Y383 PolarHBondContact O-N 3.43Å; Y383-V385 PolarHBondContact O-N 2.81Å
384P88.7Confident80.7Confident45 Ų4554.4 Ų54.429%0.29228%0.279SS..Hα-helixtrans-67.2-21.3-174.126.7-34.8000113.4E287 E386 K387 L388E287-P384 HydrophobicContact CG-CG 3.95Å; P384-E386 VanDerWaalsContact C-N 3.34Å; P384-E386 PolarHBondContact O-N 3.26Å; P384-K387 PolarHBondContact O-N 3.39Å; P384-L388 WeakPolarHBondContact O-CG 3.42Å; P384-L388 PolarHBondContact O-N 2.85Å
385V88.8Confident83.5Confident0 Ų045.8 Ų45.80%024%0.241CC..Hα-helixtrans-66.1-30.3-172.6-64.50000113.9E287 A361 V362 E365 Y383 K387 L388 M389E287-V385 HydrophobicContact CB-CG1 3.99Å; A361-V385 HydrophobicContact CB-CB 4.35Å; A361-V385 HydrophobicContact CB-CG1 3.91Å; V362-V385 HydrophobicContact CG2-CB 4.13Å; V362-V385 HydrophobicContact CG2-CG2 3.95Å; E365-V385 VanDerWaalsContact CD-CG2 3.43Å; E365-V385 HydrophobicContact CG-CG2 4.43Å; E365-V385 WeakPolarHBondContact OE1-CG1 3.06Å; E365-V385 VanDerWaalsContact OE1-CG2 3.28Å; E365-V385 WeakPolarHBondContact OE1-CG2 3.49Å; E365-V385 WeakPolarHBondContact OE2-CG2 3.39Å; Y383-V385 PolarHBondContact O-N 2.81Å; V385-K387 VanDerWaalsContact C-N 3.35Å; V385-L388 PolarHBondContact O-N 2.82Å; V385-M389 WeakPolarHBondContact O-CB 3.35Å; V385-M389 PolarHBondContact O-N 2.86Å
386E92.1Very high85.6Confident41 Ų4147.2 Ų47.219%0.19225%0.245CC..Hα-helixtrans-65.1-43.4177.179.878.6-163.400110.6P384 M389 R390P384-E386 VanDerWaalsContact C-N 3.34Å; P384-E386 PolarHBondContact O-N 3.26Å; E386-M389 WeakPolarHBondContact O-CB 3.32Å; E386-M389 PolarHBondContact O-N 2.9Å; E386-R390 PolarHBondContact O-N 3.17Å; E386-R390 IonicContact OE1-CZ 3.56Å; E386-R390 IonicContact OE1-NE 3.52Å; E386-R390 IonicContact OE1-NH2 2.73Å; E386-R390 PolarHBondContact OE1-NH2 2.88Å; E386-R390 IonicContact OE2-CZ 3.54Å; E386-R390 IonicContact OE2-NE 2.73Å; E386-R390 PolarHBondContact OE2-NE 3.32Å; E386-R390 IonicContact OE2-NH2 3.47Å; E386-R390 PolarHBondContact OE2-NH2 2.8Å
387K93.6Very high87.2Confident23 Ų2350 Ų5010%0.125%0.253CS..Hα-helixtrans-63.3-45.2175.3178.9-174.3175.4-62.40110.9D43 C91 P384 V385 M389 R390 D391D43-K387 HydrophobicContact CB-CD 3.74Å; D43-K387 VanDerWaalsContact CB-CE 3.45Å; D43-K387 HydrophobicContact CB-CG 4.49Å; D43-K387 WeakPolarHBondContact OD1-CE 3.45Å; C91-K387 PolarHBondContact SG-NZ 2.91Å; P384-K387 PolarHBondContact O-N 3.39Å; V385-K387 VanDerWaalsContact C-N 3.35Å; K387-M389 VanDerWaalsContact C-N 3.25Å; K387-M389 PolarHBondContact O-N 2.96Å; K387-R390 PolarHBondContact O-N 3.21Å; K387-D391 IonicContact NZ-OD2 2.91Å; K387-D391 PolarHBondContact NZ-OD2 3.25Å; K387-D391 WeakPolarHBondContact O-CB 3.47Å; K387-D391 VanDerWaalsContact O-CG 3.29Å; K387-D391 PolarHBondContact O-N 2.9Å
388L94Very high88.1Confident5 Ų550 Ų503%0.02625%0.25CC..Hα-helixtrans-60-38.2176.6-64.1168.5000111.1L280 R283 P384 V385 D391 A392L280-L388 HydrophobicContact CD1-CD2 4.48Å; L280-L388 HydrophobicContact CG-CB 4.48Å; L280-L388 HydrophobicContact CG-CD2 4.15Å; R283-L388 HydrophobicContact CB-CD1 4.27Å; R283-L388 HydrophobicContact CB-CD2 4.45Å; R283-L388 HydrophobicContact CG-CD1 3.62Å; R283-L388 HydrophobicContact CG-CD2 4.09Å; P384-L388 WeakPolarHBondContact O-CG 3.42Å; P384-L388 PolarHBondContact O-N 2.85Å; V385-L388 PolarHBondContact O-N 2.82Å; L388-D391 PolarHBondContact O-N 2.89Å; L388-A392 VanDerWaalsContact O-CB 3.29Å; L388-A392 WeakPolarHBondContact O-CB 3.19Å; L388-A392 PolarHBondContact O-N 2.82Å
389M93.8Very high89Confident80 Ų8051.6 Ų51.639%0.39426%0.257SS..Hα-helixtrans-65.5-43.4175.2-172.4-176.4179.300112.6A358 V362 V385 E386 K387 D391 A392A358-M389 HydrophobicContact CB-CB 4.05Å; A358-M389 HydrophobicContact CB-CG 4.36Å; V362-M389 HydrophobicContact CB-SD 4.48Å; V362-M389 HydrophobicContact CG2-CB 4.27Å; V362-M389 HydrophobicContact CG2-SD 3.92Å; V385-M389 WeakPolarHBondContact O-CB 3.35Å; V385-M389 PolarHBondContact O-N 2.86Å; E386-M389 WeakPolarHBondContact O-CB 3.32Å; E386-M389 PolarHBondContact O-N 2.9Å; K387-M389 VanDerWaalsContact C-N 3.25Å; K387-M389 PolarHBondContact O-N 2.96Å; M389-D391 VanDerWaalsContact C-N 3.31Å; M389-D391 PolarHBondContact O-N 2.87Å; M389-A392 PolarHBondContact O-N 3.4Å
390R94.9Very high89.2Confident34 Ų3444.5 Ų44.513%0.12823%0.232CC..Hα-helixtrans-60.6-42.1173.3-72.7-172.5-70.1106.1-8112D43 M223 E386 K387D43-R390 IonicContact OD1-CZ 3.71Å; D43-R390 IonicContact OD1-NH1 3Å; D43-R390 PolarHBondContact OD1-NH1 3Å; D43-R390 IonicContact OD1-NH2 3.47Å; D43-R390 PolarHBondContact OD1-NH2 3.03Å; D43-R390 IonicContact OD2-CZ 3.51Å; D43-R390 IonicContact OD2-NH1 3.43Å; D43-R390 PolarHBondContact OD2-NH1 3.18Å; D43-R390 IonicContact OD2-NH2 2.73Å; D43-R390 PolarHBondContact OD2-NH2 2.83Å; M223-R390 HydrophobicContact CG-CB 4.06Å; M223-R390 HydrophobicContact CG-CG 4.15Å; M223-R390 WeakPolarHBondContact O-CD 3.22Å; M223-R390 PolarHBondContact O-NH1 3.2Å; M223-R390 VanDerWaalsContact O-NH1 3.15Å; E386-R390 PolarHBondContact O-N 3.17Å; E386-R390 IonicContact OE1-CZ 3.56Å; E386-R390 IonicContact OE1-NE 3.52Å; E386-R390 IonicContact OE1-NH2 2.73Å; E386-R390 PolarHBondContact OE1-NH2 2.88Å; E386-R390 IonicContact OE2-CZ 3.54Å; E386-R390 IonicContact OE2-NE 2.73Å; E386-R390 PolarHBondContact OE2-NE 3.32Å; E386-R390 IonicContact OE2-NH2 3.47Å; E386-R390 PolarHBondContact OE2-NH2 2.8Å; K387-R390 PolarHBondContact O-N 3.21Å
391D96Very high89.6Confident0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-69.7-38.1179.6-73.1-1.1000112.1T92 G224 Q225 L280 K387 L388 M389 K393 I394T92-D391 WeakPolarHBondContact OG1-CB 3.44Å; T92-D391 PolarHBondContact OG1-OD2 3.44Å; T92-D391 VanDerWaalsContact OG1-OD2 3.13Å; G224-D391 WeakPolarHBondContact CA-OD1 3.44Å; Q225-D391 PolarHBondContact N-OD1 2.9Å; L280-D391 HydrophobicContact CD1-CB 3.8Å; K387-D391 IonicContact NZ-OD2 2.91Å; K387-D391 PolarHBondContact NZ-OD2 3.25Å; K387-D391 WeakPolarHBondContact O-CB 3.47Å; K387-D391 VanDerWaalsContact O-CG 3.29Å; K387-D391 PolarHBondContact O-N 2.9Å; L388-D391 PolarHBondContact O-N 2.89Å; M389-D391 VanDerWaalsContact C-N 3.31Å; M389-D391 PolarHBondContact O-N 2.87Å; D391-K393 PolarHBondContact O-N 3.35Å; D391-I394 VanDerWaalsContact O-CG2 3.27Å; D391-I394 WeakPolarHBondContact O-CG2 3.48Å; D391-I394 PolarHBondContact O-N 3.43Å
392A95.6Very high90.2Very high0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-58.8-33.3-175.600000113L280 N355 A358 L388 M389 I394 Y395L280-A392 HydrophobicContact CD1-CB 4.13Å; L280-A392 HydrophobicContact CD2-CB 3.75Å; N355-A392 PolarHBondContact ND2-O 3.05Å; A358-A392 HydrophobicContact CB-CB 3.85Å; L388-A392 VanDerWaalsContact O-CB 3.29Å; L388-A392 WeakPolarHBondContact O-CB 3.19Å; L388-A392 PolarHBondContact O-N 2.82Å; M389-A392 PolarHBondContact O-N 3.4Å; A392-I394 VanDerWaalsContact C-N 3.26Å; A392-I394 PolarHBondContact O-N 2.82Å; A392-Y395 PolarHBondContact O-N 2.86Å
393K96Very high90.7Very high89 Ų8939.7 Ų39.739%0.38719%0.194SC..G310 helixtrans-62.3-34.6-172.8-174.856.5-178177.40113.1M223 N355 D391 Y395 Q396 I397M223-K393 HydrophobicContact SD-CB 4.34Å; N355-K393 WeakPolarHBondContact OD1-CA 3.25Å; D391-K393 PolarHBondContact O-N 3.35Å; K393-Y395 VanDerWaalsContact C-N 3.27Å; K393-Y395 PolarHBondContact O-N 3.3Å; K393-Q396 PolarHBondContact O-N 3.43Å; K393-I397 HydrophobicContact CG-CD1 4.23Å
394I94Very high91.1Very high55 Ų5538.9 Ų38.928%0.28219%0.194SC..G310 helixtrans-63-34.9-173.9-162.860.3000111.7Q225 D391 A392 Q396 I397 Y398Q225-I394 HydrophobicContact CG-CG2 4.32Å; D391-I394 VanDerWaalsContact O-CG2 3.27Å; D391-I394 WeakPolarHBondContact O-CG2 3.48Å; D391-I394 PolarHBondContact O-N 3.43Å; A392-I394 VanDerWaalsContact C-N 3.26Å; A392-I394 PolarHBondContact O-N 2.82Å; I394-Q396 PolarHBondContact O-N 2.93Å; I394-Q396 VanDerWaalsContact O-N 3.09Å; I394-I397 HydrophobicContact CD1-CB 4.39Å; I394-I397 WeakPolarHBondContact O-CA 3.41Å; I394-I397 WeakPolarHBondContact O-CB 3.48Å; I394-I397 PolarHBondContact O-N 2.95Å; I394-Y398 HydrophobicContact CB-CD1 4.47Å; I394-Y398 HydrophobicContact CB-CE1 4.48Å; I394-Y398 HydrophobicContact CG1-CD1 3.81Å; I394-Y398 HydrophobicContact CG1-CE1 4.14Å; I394-Y398 HydrophobicContact CG1-CG 4.17Å; I394-Y398 HydrophobicContact CG2-CD1 4.4Å; I394-Y398 HydrophobicContact CG2-CE1 3.93Å; I394-Y398 WeakPolarHBondContact O-CD1 3.28Å; I394-Y398 PolarHBondContact O-N 3.42Å
395Y92.9Very high91.1Very high4 Ų436.7 Ų36.72%0.01618%0.18CC..G310 helixtrans-54-31.3179.4-70.3-64.8000114.4T92 I273 G276 A277 L280 K347 S351 A392 K393 I397 Y398T92-Y395 WeakPolarHBondContact CB-OH 3.3Å; T92-Y395 HydrophobicContact CG2-CE2 3.99Å; T92-Y395 WeakPolarHBondContact CG2-OH 3.47Å; I273-Y395 HydrophobicContact CG2-CD1 3.58Å; I273-Y395 HydrophobicContact CG2-CE1 4.11Å; I273-Y395 WeakPolarHBondContact O-CE1 3.26Å; G276-Y395 PolarHBondContact O-OH 3.49Å; A277-Y395 HydrophobicContact CB-CD1 3.98Å; A277-Y395 HydrophobicContact CB-CD2 4.04Å; A277-Y395 HydrophobicContact CB-CE1 4.3Å; A277-Y395 HydrophobicContact CB-CE2 4.36Å; A277-Y395 HydrophobicContact CB-CG 3.85Å; L280-Y395 HydrophobicContact CB-CE2 4.43Å; L280-Y395 HydrophobicContact CD1-CE2 4.06Å; K347-Y395 PolarHBondContact NZ-O 3.46Å; S351-Y395 PolarHBondContact OG-O 3.19Å; A392-Y395 PolarHBondContact O-N 2.86Å; K393-Y395 VanDerWaalsContact C-N 3.27Å; K393-Y395 PolarHBondContact O-N 3.3Å; Y395-I397 VanDerWaalsContact C-N 3.27Å; Y395-I397 PolarHBondContact O-N 2.7Å; Y395-Y398 AromaticContact CD1-CE1 3.78Å; Y395-Y398 HydrophobicContact CD1-CE1 3.78Å; Y395-Y398 HydrophobicContact CE1-CE1 4.28Å; Y395-Y398 VanDerWaalsContact CE1-OH 3.25Å; Y395-Y398 WeakPolarHBondContact CE1-OH 3.36Å; Y395-Y398 HydrophobicContact CG-CE1 4.41Å
396Q92.2Very high91.3Very high38 Ų3842.4 Ų42.418%0.17820%0.202CC..G310 helixtrans-75.5-14.2175.4-68.3-178.9-37.700113.9D352 K393 I394 T401 S402D352-Q396 PolarHBondContact OD1-NE2 3.28Å; K393-Q396 PolarHBondContact O-N 3.43Å; I394-Q396 PolarHBondContact O-N 2.93Å; I394-Q396 VanDerWaalsContact O-N 3.09Å; Q396-T401 CarbonylContact O-C 3.52Å; Q396-T401 VanDerWaalsContact O-CA 3.26Å; Q396-T401 WeakPolarHBondContact O-CA 3.37Å; Q396-S402 WeakPolarHBondContact CA-OG 3.44Å; Q396-S402 PolarHBondContact O-N 3.21Å
397I91.4Very high91.3Very high88 Ų8843.5 Ų43.545%0.45121%0.211SC..THydrogen-bonded Turntrans-109.2-65-164.9-57.2172.9000111.7K393 I394 Y395 T401K393-I397 HydrophobicContact CG-CD1 4.23Å; I394-I397 HydrophobicContact CD1-CB 4.39Å; I394-I397 WeakPolarHBondContact O-CA 3.41Å; I394-I397 WeakPolarHBondContact O-CB 3.48Å; I394-I397 PolarHBondContact O-N 2.95Å; Y395-I397 VanDerWaalsContact C-N 3.27Å; Y395-I397 PolarHBondContact O-N 2.7Å; I397-T401 WeakPolarHBondContact O-CG2 3.31Å; I397-T401 PolarHBondContact O-N 2.96Å
398Y87.5Confident91Very high44 Ų4443 Ų4317%0.17321%0.21CC..SBendtrans-69.6159.3-172.377.6-50.1000112.8I273 K347 I394 Y395 G400I273-Y398 HydrophobicContact CG2-CE1 4.18Å; K347-Y398 PolarHBondContact NZ-O 3.08Å; I394-Y398 HydrophobicContact CB-CD1 4.47Å; I394-Y398 HydrophobicContact CB-CE1 4.48Å; I394-Y398 HydrophobicContact CG1-CD1 3.81Å; I394-Y398 HydrophobicContact CG1-CE1 4.14Å; I394-Y398 HydrophobicContact CG1-CG 4.17Å; I394-Y398 HydrophobicContact CG2-CD1 4.4Å; I394-Y398 HydrophobicContact CG2-CE1 3.93Å; I394-Y398 WeakPolarHBondContact O-CD1 3.28Å; I394-Y398 PolarHBondContact O-N 3.42Å; Y395-Y398 AromaticContact CD1-CE1 3.78Å; Y395-Y398 HydrophobicContact CD1-CE1 3.78Å; Y395-Y398 HydrophobicContact CE1-CE1 4.28Å; Y395-Y398 VanDerWaalsContact CE1-OH 3.25Å; Y395-Y398 WeakPolarHBondContact CE1-OH 3.36Å; Y395-Y398 HydrophobicContact CG-CE1 4.41Å; Y398-G400 VanDerWaalsContact C-N 3.32Å; Y398-G400 PolarHBondContact O-N 3.38Å
399E78.2Confident90.8Very high35 Ų3544.2 Ų44.216%0.16422%0.216CC..SBendtrans51.549.6174.1-59.1-174.6-141.200112.7L103 F260 V269 F270 I273L103-E399 VanDerWaalsContact CD1-OE1 3.27Å; L103-E399 WeakPolarHBondContact CD1-OE1 3.39Å; L103-E399 WeakPolarHBondContact CD2-OE2 3.4Å; F260-E399 HydrophobicContact CD1-CB 4.24Å; F260-E399 HydrophobicContact CE1-CB 3.93Å; F260-E399 HydrophobicContact CE1-CG 3.83Å; V269-E399 WeakPolarHBondContact CG1-OE2 3Å; F270-E399 WeakPolarHBondContact CE1-O 3.44Å; I273-E399 HydrophobicContact CD1-CB 3.34Å; I273-E399 HydrophobicContact CD1-CG 4.05Å; I273-E399 WeakPolarHBondContact CD1-OE2 3.4Å
400G81.8Confident90.7Very high23 Ų2342 Ų4224%0.23721%0.21CC..SBendtrans87.9100.2-178.600000111.6K347 Y398 Q405K347-G400 WeakPolarHBondContact CE-O 3.27Å; K347-G400 PolarHBondContact NZ-O 2.94Å; Y398-G400 VanDerWaalsContact C-N 3.32Å; Y398-G400 PolarHBondContact O-N 3.38Å; G400-Q405 PolarHBondContact O-NE2 3.35Å; G400-Q405 VanDerWaalsContact O-NE2 3.15Å
401T89.1Confident90.5Very high29 Ų2946 Ų4618%0.17823%0.225CC..  trans-52.7156.2-177.371.70000112.4Q396 I397 Q403 I404 Q405Q396-T401 CarbonylContact O-C 3.52Å; Q396-T401 VanDerWaalsContact O-CA 3.26Å; Q396-T401 WeakPolarHBondContact O-CA 3.37Å; I397-T401 WeakPolarHBondContact O-CG2 3.31Å; I397-T401 PolarHBondContact O-N 2.96Å; T401-Q403 PolarHBondContact O-N 3.39Å; T401-Q403 PolarHBondContact OG1-N 2.87Å; T401-Q403 PolarHBondContact OG1-OE1 3.27Å; T401-I404 WeakPolarHBondContact O-CA 3.47Å; T401-I404 PolarHBondContact O-N 3.28Å; T401-I404 WeakPolarHBondContact OG1-CG1 3.33Å; T401-I404 PolarHBondContact OG1-N 2.84Å; T401-I404 VanDerWaalsContact OG1-N 3.16Å; T401-Q405 WeakPolarHBondContact O-CG 3.22Å; T401-Q405 PolarHBondContact O-N 2.82Å
402S90.2Very high90.1Very high1 Ų148.4 Ų48.41%0.00724%0.236CC..Hα-helixtrans-54.5-23.8174.7-69.10000113.2Q396 R406Q396-S402 WeakPolarHBondContact CA-OG 3.44Å; Q396-S402 PolarHBondContact O-N 3.21Å; S402-R406 VanDerWaalsContact O-CG 3.31Å; S402-R406 WeakPolarHBondContact O-CG 3.34Å; S402-R406 PolarHBondContact O-N 3.28Å; S402-R406 PolarHBondContact O-NH1 2.87Å; S402-R406 VanDerWaalsContact O-NH1 3.12Å
403Q91.6Very high89.8Confident124 Ų12451 Ų5158%0.57925%0.249SC*.Hα-helixtrans-75.7-44.3172.6-63.573.71900111.8T401 Q405 R406 V407T401-Q403 PolarHBondContact O-N 3.39Å; T401-Q403 PolarHBondContact OG1-N 2.87Å; T401-Q403 PolarHBondContact OG1-OE1 3.27Å; Q403-Q405 VanDerWaalsContact C-N 3.3Å; Q403-Q405 PolarHBondContact O-N 3.16Å; Q403-R406 PolarHBondContact O-N 2.95Å; Q403-V407 WeakPolarHBondContact O-CG2 3.42Å; Q403-V407 PolarHBondContact O-N 3.33Å
404I90Very high89.5Confident58 Ų5853 Ų5330%0.29726%0.258SS..Hα-helixtrans-60.9-41.5174.8-65.5-58.7000110.8T401 R406 V407 I408T401-I404 WeakPolarHBondContact O-CA 3.47Å; T401-I404 PolarHBondContact O-N 3.28Å; T401-I404 WeakPolarHBondContact OG1-CG1 3.33Å; T401-I404 PolarHBondContact OG1-N 2.84Å; T401-I404 VanDerWaalsContact OG1-N 3.16Å; I404-R406 PolarHBondContact O-N 2.81Å; I404-V407 WeakPolarHBondContact O-CB 3.44Å; I404-V407 PolarHBondContact O-N 2.84Å; I404-V407 VanDerWaalsContact O-N 3.14Å; I404-I408 HydrophobicContact CG2-CD1 4.21Å; I404-I408 WeakPolarHBondContact O-CG1 3.38Å; I404-I408 PolarHBondContact O-N 3.47Å
405Q90Very high89.2Confident0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-61.2-43.3175.3-60.1-50.5-29.900112.3F270 S344 K347 A348 G400 T401 Q403 V407 I408 I409F270-Q405 VanDerWaalsContact CE2-NE2 3.34Å; F270-Q405 VanDerWaalsContact CE2-OE1 3.3Å; S344-Q405 PolarHBondContact OG-OE1 3.26Å; K347-Q405 HydrophobicContact CB-CG 4.21Å; K347-Q405 HydrophobicContact CD-CG 3.77Å; K347-Q405 HydrophobicContact CG-CG 4.1Å; A348-Q405 HydrophobicContact CB-CB 3.88Å; G400-Q405 PolarHBondContact O-NE2 3.35Å; G400-Q405 VanDerWaalsContact O-NE2 3.15Å; T401-Q405 WeakPolarHBondContact O-CG 3.22Å; T401-Q405 PolarHBondContact O-N 2.82Å; Q403-Q405 VanDerWaalsContact C-N 3.3Å; Q403-Q405 PolarHBondContact O-N 3.16Å; Q405-V407 VanDerWaalsContact C-N 3.29Å; Q405-V407 PolarHBondContact O-N 3.46Å; Q405-I408 WeakPolarHBondContact O-CB 3.41Å; Q405-I408 PolarHBondContact O-N 3.27Å; Q405-I408 VanDerWaalsContact O-N 3.08Å; Q405-I409 VanDerWaalsContact O-CG1 3.3Å; Q405-I409 WeakPolarHBondContact O-CG1 3.45Å; Q405-I409 PolarHBondContact O-N 2.94Å
406R93.4Very high88.8Confident120 Ų12055 Ų5545%0.45328%0.276SS..Hα-helixtrans-61-36.8174.1-76.9173.2173.581.8-4.5112.6D352 S402 Q403 I404 I409 A410D352-R406 IonicContact OD2-CZ 2.78Å; D352-R406 IonicContact OD2-NH1 3.87Å; D352-R406 PolarHBondContact OD2-NH1 3.21Å; D352-R406 IonicContact OD2-NH2 2.71Å; D352-R406 PolarHBondContact OD2-NH2 3.48Å; S402-R406 VanDerWaalsContact O-CG 3.31Å; S402-R406 WeakPolarHBondContact O-CG 3.34Å; S402-R406 PolarHBondContact O-N 3.28Å; S402-R406 PolarHBondContact O-NH1 2.87Å; S402-R406 VanDerWaalsContact O-NH1 3.12Å; Q403-R406 PolarHBondContact O-N 2.95Å; I404-R406 PolarHBondContact O-N 2.81Å; R406-I409 PolarHBondContact O-N 3.06Å; R406-A410 WeakPolarHBondContact O-CB 3.44Å; R406-A410 PolarHBondContact O-N 3.26Å
407V91.5Very high88.7Confident63 Ų6355 Ų5538%0.38228%0.282SS..Hα-helixtrans-63.7-41172.9171.80000111.1Q403 I404 Q405 R411Q403-V407 WeakPolarHBondContact O-CG2 3.42Å; Q403-V407 PolarHBondContact O-N 3.33Å; I404-V407 WeakPolarHBondContact O-CB 3.44Å; I404-V407 PolarHBondContact O-N 2.84Å; I404-V407 VanDerWaalsContact O-N 3.14Å; Q405-V407 VanDerWaalsContact C-N 3.29Å; Q405-V407 PolarHBondContact O-N 3.46Å; V407-R411 WeakPolarHBondContact O-CB 3.17Å; V407-R411 VanDerWaalsContact O-CG 3.26Å; V407-R411 WeakPolarHBondContact O-CG 3.46Å; V407-R411 PolarHBondContact O-N 3.23Å
408I86.6Confident88.6Confident14 Ų1459.6 Ų59.67%0.07230%0.299CS..Hα-helixtrans-63.3-46.2176.4-64.2165.7000110.6S344 I404 Q405 R411 H412S344-I408 VanDerWaalsContact OG-CG2 3.22Å; S344-I408 WeakPolarHBondContact OG-CG2 3.15Å; I404-I408 HydrophobicContact CG2-CD1 4.21Å; I404-I408 WeakPolarHBondContact O-CG1 3.38Å; I404-I408 PolarHBondContact O-N 3.47Å; Q405-I408 WeakPolarHBondContact O-CB 3.41Å; Q405-I408 PolarHBondContact O-N 3.27Å; Q405-I408 VanDerWaalsContact O-N 3.08Å; I408-R411 PolarHBondContact O-N 3.29Å; I408-H412 PolarHBondContact O-N 3.24Å; I408-H412 VanDerWaalsContact O-N 3.11Å
409I90.5Very high88.6Confident30 Ų3064.6 Ų64.615%0.15432%0.324CS..Hα-helixtrans-58.8-53.1176.7-64.7163.1000110.4Y341 I345 Q405 R406 R411 H412 L413Y341-I409 HydrophobicContact CE2-CG2 4.01Å; I345-I409 HydrophobicContact CB-CD1 4.43Å; I345-I409 HydrophobicContact CG1-CD1 3.76Å; I345-I409 HydrophobicContact CG1-CG1 3.92Å; Q405-I409 VanDerWaalsContact O-CG1 3.3Å; Q405-I409 WeakPolarHBondContact O-CG1 3.45Å; Q405-I409 PolarHBondContact O-N 2.94Å; R406-I409 PolarHBondContact O-N 3.06Å; I409-R411 VanDerWaalsContact C-N 3.29Å; I409-R411 PolarHBondContact O-N 3.41Å; I409-H412 WeakPolarHBondContact O-CB 3.48Å; I409-H412 PolarHBondContact O-N 3.37Å; I409-L413 HydrophobicContact CG2-CD1 4.47Å; I409-L413 WeakPolarHBondContact O-CG 3.46Å; I409-L413 PolarHBondContact O-N 3.34Å; I409-L413 VanDerWaalsContact O-N 3.11Å
410A92Very high88.9Confident32 Ų3268.3 Ų68.326%0.26434%0.341SS..Hα-helixtrans-58.3-40.2-179.200000112.4R406 H412 L413 F414R406-A410 WeakPolarHBondContact O-CB 3.44Å; R406-A410 PolarHBondContact O-N 3.26Å; A410-H412 VanDerWaalsContact C-N 3.33Å; A410-H412 PolarHBondContact O-N 2.87Å; A410-L413 WeakPolarHBondContact O-CB 3.44Å; A410-L413 PolarHBondContact O-N 2.77Å; A410-F414 HydrophobicContact CB-CE2 4.26Å; A410-F414 HydrophobicContact CB-CZ 4.46Å; A410-F414 VanDerWaalsContact O-CD2 3.3Å; A410-F414 WeakPolarHBondContact O-CD2 3.5Å; A410-F414 VanDerWaalsContact O-CG 3.23Å; A410-F414 WeakPolarHBondContact O-CG 3.28Å; A410-F414 PolarHBondContact O-N 3.27Å
411R89.5Confident89Confident120 Ų12071 Ų7145%0.45337%0.368SS..Hα-helixtrans-63.1-38175.5-76.9173.2176.9166.42.4112.6V407 I408 I409 F414 A415V407-R411 WeakPolarHBondContact O-CB 3.17Å; V407-R411 VanDerWaalsContact O-CG 3.26Å; V407-R411 WeakPolarHBondContact O-CG 3.46Å; V407-R411 PolarHBondContact O-N 3.23Å; I408-R411 PolarHBondContact O-N 3.29Å; I409-R411 VanDerWaalsContact C-N 3.29Å; I409-R411 PolarHBondContact O-N 3.41Å; R411-F414 PolarHBondContact O-N 3.08Å; R411-A415 WeakPolarHBondContact O-CB 3.49Å; R411-A415 PolarHBondContact O-N 2.81Å
412H88Confident88.6Confident50 Ų5070.9 Ų70.923%0.23137%0.373CS..Hα-helixtrans-62.8-44.9175.6-165.676.3000111Y341 I408 I409 A410 F414 A415 Q416Y341-H412 HydrophobicContact CD2-CB 3.68Å; Y341-H412 AromaticContact CD2-CD2 3.27Å; Y341-H412 WeakPolarHBondContact CD2-CD2 3.26Å; Y341-H412 AromaticContact CD2-CG 3.56Å; Y341-H412 HydrophobicContact CE2-CB 4.24Å; Y341-H412 AromaticContact CE2-CD2 3.73Å; Y341-H412 AromaticContact CG-CD2 3.55Å; Y341-H412 AromaticContact CG-NE2 3.94Å; I408-H412 PolarHBondContact O-N 3.24Å; I408-H412 VanDerWaalsContact O-N 3.11Å; I409-H412 WeakPolarHBondContact O-CB 3.48Å; I409-H412 PolarHBondContact O-N 3.37Å; A410-H412 VanDerWaalsContact C-N 3.33Å; A410-H412 PolarHBondContact O-N 2.87Å; H412-F414 PolarHBondContact O-N 3.02Å; H412-A415 PolarHBondContact O-N 3.35Å; H412-Q416 PolarHBondContact CD2-NE2 2.66Å; H412-Q416 VanDerWaalsContact CD2-NE2 3.32Å; H412-Q416 PolarHBondContact NE2-NE2 3.31Å; H412-Q416 WeakPolarHBondContact O-CG 3.39Å; H412-Q416 PolarHBondContact O-N 3.34Å
413L88.9Confident88Confident53 Ų5375.2 Ų75.228%0.27740%0.396SS..Hα-helixtrans-59.6-44.5175.9-59.8177000111.8Y341 I409 A410 Q416 A417 L423Y341-L413 HydrophobicContact CE2-CD2 4.28Å; I409-L413 HydrophobicContact CG2-CD1 4.47Å; I409-L413 WeakPolarHBondContact O-CG 3.46Å; I409-L413 PolarHBondContact O-N 3.34Å; I409-L413 VanDerWaalsContact O-N 3.11Å; A410-L413 WeakPolarHBondContact O-CB 3.44Å; A410-L413 PolarHBondContact O-N 2.77Å; L413-Q416 PolarHBondContact O-N 2.98Å; L413-A417 WeakPolarHBondContact O-CB 3.06Å; L413-A417 PolarHBondContact O-N 3.29Å; L413-L423 HydrophobicContact CB-CD2 4.14Å; L413-L423 HydrophobicContact CD2-CD1 4.38Å; L413-L423 HydrophobicContact CD2-CD2 3.76Å
414F91.2Very high86.5Confident132 Ų13273.8 Ų73.858%0.57941%0.405SS*.Hα-helixtrans-68-34.3178.4-59.9-28.3000113.4A410 R411 H412 K418A410-F414 HydrophobicContact CB-CE2 4.26Å; A410-F414 HydrophobicContact CB-CZ 4.46Å; A410-F414 VanDerWaalsContact O-CD2 3.3Å; A410-F414 WeakPolarHBondContact O-CD2 3.5Å; A410-F414 VanDerWaalsContact O-CG 3.23Å; A410-F414 WeakPolarHBondContact O-CG 3.28Å; A410-F414 PolarHBondContact O-N 3.27Å; R411-F414 PolarHBondContact O-N 3.08Å; H412-F414 PolarHBondContact O-N 3.02Å; F414-K418 WeakPolarHBondContact O-CB 3.45Å; F414-K418 VanDerWaalsContact O-CG 3.29Å; F414-K418 WeakPolarHBondContact O-CG 3.43Å; F414-K418 PolarHBondContact O-N 3.28Å; F414-K418 VanDerWaalsContact O-N 3.08Å
415A87.2Confident86.4Confident52 Ų5274.6 Ų74.643%0.4341%0.411SS..Hα-helixtrans-65-48.7175.100000110.9R411 H412 A417 K418 E419R411-A415 WeakPolarHBondContact O-CB 3.49Å; R411-A415 PolarHBondContact O-N 2.81Å; H412-A415 PolarHBondContact O-N 3.35Å; A415-A417 PolarHBondContact O-N 2.76Å; A415-K418 PolarHBondContact O-N 3.07Å; A415-E419 WeakPolarHBondContact O-CB 3.25Å; A415-E419 PolarHBondContact O-N 2.93Å
416Q84.4Confident86.2Confident50 Ų5078.5 Ų78.523%0.23443%0.432CS..Hα-helixtrans-59.9-46176.1-70.7-175.4-5.100112H412 L413 K418 E419 H420 G422H412-Q416 PolarHBondContact CD2-NE2 2.66Å; H412-Q416 VanDerWaalsContact CD2-NE2 3.32Å; H412-Q416 PolarHBondContact NE2-NE2 3.31Å; H412-Q416 WeakPolarHBondContact O-CG 3.39Å; H412-Q416 PolarHBondContact O-N 3.34Å; L413-Q416 PolarHBondContact O-N 2.98Å; Q416-K418 VanDerWaalsContact C-N 3.29Å; Q416-K418 PolarHBondContact O-N 3.03Å; Q416-E419 PolarHBondContact O-N 3.1Å; Q416-E419 VanDerWaalsContact O-N 3.14Å; Q416-H420 PolarHBondContact O-N 2.78Å; Q416-G422 CarbonylContact C-O 3.52Å
417A89.6Confident85.8Confident38 Ų3876.2 Ų76.231%0.31443%0.431SS..Hα-helixtrans-60.1-37.5178.200000113L413 A415 G421 G422L413-A417 WeakPolarHBondContact O-CB 3.06Å; L413-A417 PolarHBondContact O-N 3.29Å; A415-A417 PolarHBondContact O-N 2.76Å; A417-G421 CarbonylContact O-C 3.5Å; A417-G421 VanDerWaalsContact O-CA 3.24Å; A417-G421 WeakPolarHBondContact O-CA 3.35Å; A417-G421 PolarHBondContact O-N 3.44Å; A417-G422 WeakPolarHBondContact CA-O 3.18Å; A417-G422 PolarHBondContact O-N 2.91Å
418K89.8Confident85.4Confident184 Ų18477 Ų7780%0.843%0.434SS*.Hα-helixtrans-70.1-36.8175.2-76176.9-179.3-174.60112.7F414 A415 Q416F414-K418 WeakPolarHBondContact O-CB 3.45Å; F414-K418 VanDerWaalsContact O-CG 3.29Å; F414-K418 WeakPolarHBondContact O-CG 3.43Å; F414-K418 PolarHBondContact O-N 3.28Å; F414-K418 VanDerWaalsContact O-N 3.08Å; A415-K418 PolarHBondContact O-N 3.07Å; Q416-K418 VanDerWaalsContact C-N 3.29Å; Q416-K418 PolarHBondContact O-N 3.03Å
419E86.6Confident85.4Confident148 Ų14880.9 Ų80.969%0.69246%0.457SS*.Hα-helixtrans-77-37.6-177.1-170173.5177.800112.6A415 Q416A415-E419 WeakPolarHBondContact O-CB 3.25Å; A415-E419 PolarHBondContact O-N 2.93Å; Q416-E419 PolarHBondContact O-N 3.1Å; Q416-E419 VanDerWaalsContact O-N 3.14Å
420H84.3Confident85Confident113 Ų11384.3 Ų84.352%0.52348%0.477SS..Hα-helixtrans-114.80.7-171.8-56.6-51.5000114.5Q416 G422Q416-H420 PolarHBondContact O-N 2.78Å; H420-G422 PolarHBondContact O-N 2.96Å
421G84.1Confident84.5Confident79 Ų7988.1 Ų88.181%0.81449%0.492SS*.SBendtrans7111.5-173.300000114A417A417-G421 CarbonylContact O-C 3.5Å; A417-G421 VanDerWaalsContact O-CA 3.24Å; A417-G421 WeakPolarHBondContact O-CA 3.35Å; A417-G421 PolarHBondContact O-N 3.44Å
422G81.4Confident84.1Confident27 Ų2785.6 Ų85.628%0.27850%0.495SS..SBendtrans173.8-178.4-178.100000111.8Q416 A417 H420Q416-G422 CarbonylContact C-O 3.52Å; A417-G422 WeakPolarHBondContact CA-O 3.18Å; A417-G422 PolarHBondContact O-N 2.91Å; H420-G422 PolarHBondContact O-N 2.96Å
423L76.8Confident83.8Confident93 Ų9388.6 Ų88.649%0.48752%0.517SS..  trans-73.7125.6167-58.4178.9000107.8L413L413-L423 HydrophobicContact CB-CD2 4.14Å; L413-L423 HydrophobicContact CD2-CD1 4.38Å; L413-L423 HydrophobicContact CD2-CD2 3.76Å
424A61.4Low83.3Confident94 Ų9491.8 Ų91.878%0.77754%0.539SS*.  trans-550-177.100000112.8

Retrieved 424 of 424 residues in 198.7 ms (Link to these results)

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