A0A096MPS0_PAPAN Loading...

Glycine receptor subunit beta

Subunit of heteromeric glycine-gated chloride channels. Plays an important role in the down-regulation of neuronal excitability. Contributes to the generation of inhibitory postsynaptic currents.

AlphaFold DB (H9Z7V3), UniProt , Accession A0A096MPS0, Species PAPAN (Papio anubis, Olive baboon), Gene GLRB, Length 497 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
1M55.3Low70Confident210 Ų210124.7 Ų124.7100%1.03463%0.631SS**  0-51.20-96.4173.1-156.500113.9F3 L4 L5M1-F3 PolarHBondContact O-N 3.05Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-L5 PolarHBondContact O-N 3.34Å
2K58.8Low70.5Confident189 Ų189123.2 Ų123.282%0.82263%0.625SS**Hα-helixtrans-60.5-36.7-177.1-69.6-178.7176.3179.20114.8L5 T6K2-L5 PolarHBondContact O-N 3.09Å; K2-T6 PolarHBondContact O-N 3.09Å; K2-T6 PolarHBondContact O-OG1 3.2Å
3F62.5Low70.9Confident169 Ų169119.9 Ų119.974%0.74161%0.609SS**Hα-helixtrans-73.7-30.3-178.6-141.9-90.8000114.3M1 T6 T7M1-F3 PolarHBondContact O-N 3.05Å; F3-T6 WeakPolarHBondContact CA-OG1 3.3Å; F3-T6 PolarHBondContact O-OG1 3.43Å; F3-T7 WeakPolarHBondContact O-CG2 3.48Å; F3-T7 PolarHBondContact O-N 3.48Å; F3-T7 PolarHBondContact O-OG1 2.97Å
4L66.6Low70.8Confident132 Ų132115.9 Ų115.969%0.69160%0.597SS**Hα-helixtrans-74.6-32.9174.7-90.6148.1000111.4M1 T7 A8M1-L4 PolarHBondContact O-N 3.19Å; L4-T7 WeakPolarHBondContact CA-OG1 3.49Å; L4-T7 PolarHBondContact O-OG1 3.23Å; L4-T7 VanDerWaalsContact O-OG1 3.06Å; L4-A8 WeakPolarHBondContact O-CB 3.5Å; L4-A8 PolarHBondContact O-N 3.23Å; L4-A8 VanDerWaalsContact O-N 3.1Å
5L71.6Confident70.8Confident134 Ų134114.6 Ų114.670%0.70259%0.591SS**Hα-helixtrans-70.2-40.4176.6-135.686.2000111.7M1 K2 F9M1-L5 PolarHBondContact O-N 3.34Å; K2-L5 PolarHBondContact O-N 3.09Å; L5-F9 WeakPolarHBondContact O-CB 3.2Å; L5-F9 PolarHBondContact O-N 3.08Å
6T72.2Confident70.9Confident75 Ų75119.4 Ų119.446%0.4660%0.599SS.*Hα-helixtrans-69.2-35.7178.7470000112.7K2 F3 L10K2-T6 PolarHBondContact O-N 3.09Å; K2-T6 PolarHBondContact O-OG1 3.2Å; F3-T6 WeakPolarHBondContact CA-OG1 3.3Å; F3-T6 PolarHBondContact O-OG1 3.43Å; T6-L10 WeakPolarHBondContact O-CG 3.29Å; T6-L10 PolarHBondContact O-N 3.05Å; T6-L10 VanDerWaalsContact O-N 3.08Å
7T75.1Confident70.9Confident57 Ų57117.6 Ų117.635%0.3560%0.596SS.*Hα-helixtrans-71.7-41.1176.243.60000111.7F3 L4 F9 L10 I11F3-T7 WeakPolarHBondContact O-CG2 3.48Å; F3-T7 PolarHBondContact O-N 3.48Å; F3-T7 PolarHBondContact O-OG1 2.97Å; L4-T7 WeakPolarHBondContact CA-OG1 3.49Å; L4-T7 PolarHBondContact O-OG1 3.23Å; L4-T7 VanDerWaalsContact O-OG1 3.06Å; T7-F9 VanDerWaalsContact C-N 3.32Å; T7-F9 PolarHBondContact O-N 3.4Å; T7-L10 PolarHBondContact O-N 3.1Å; T7-I11 VanDerWaalsContact O-CG1 3.29Å; T7-I11 WeakPolarHBondContact O-CG1 3.43Å; T7-I11 PolarHBondContact O-N 3.18Å
8A76.8Confident70.3Confident50 Ų50118.6 Ų118.641%0.41360%0.598SS.*Hα-helixtrans-62.2-38.5173.200000112.5L4 I11 L12L4-A8 WeakPolarHBondContact O-CB 3.5Å; L4-A8 PolarHBondContact O-N 3.23Å; L4-A8 VanDerWaalsContact O-N 3.1Å; A8-I11 PolarHBondContact O-N 3.3Å; A8-L12 PolarHBondContact O-N 3.44Å
9F78.8Confident69.4Low142 Ų142118.4 Ų118.462%0.62360%0.595SS**Hα-helixtrans-67.8-39.3177.8-163.7-105.1000112.5L5 T7 L12 I13L5-F9 WeakPolarHBondContact O-CB 3.2Å; L5-F9 PolarHBondContact O-N 3.08Å; T7-F9 VanDerWaalsContact C-N 3.32Å; T7-F9 PolarHBondContact O-N 3.4Å; F9-L12 PolarHBondContact O-N 2.92Å; F9-I13 HydrophobicContact CD1-CD1 3.63Å; F9-I13 HydrophobicContact CE1-CD1 3.48Å; F9-I13 VanDerWaalsContact CE1-CD1 3.48Å; F9-I13 HydrophobicContact CE1-CG1 4.41Å; F9-I13 HydrophobicContact CZ-CD1 4.27Å; F9-I13 WeakPolarHBondContact O-CG1 3.41Å; F9-I13 PolarHBondContact O-N 3.35Å
10L75Confident68.8Low115 Ų115115.3 Ų115.360%0.60259%0.588SS**Hα-helixtrans-66.7-37.7175.4-77.4165.2000112.5T6 T7 I13 S14T6-L10 WeakPolarHBondContact O-CG 3.29Å; T6-L10 PolarHBondContact O-N 3.05Å; T6-L10 VanDerWaalsContact O-N 3.08Å; T7-L10 PolarHBondContact O-N 3.1Å; L10-I13 PolarHBondContact O-N 3.4Å; L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-OG 2.95Å
11I77.8Confident67.6Low99 Ų99116.7 Ų116.751%0.50859%0.587SS.*Hα-helixtrans-67.9-38.7176.6-66.8166000111.2T7 A8 I13 S14 L15T7-I11 VanDerWaalsContact O-CG1 3.29Å; T7-I11 WeakPolarHBondContact O-CG1 3.43Å; T7-I11 PolarHBondContact O-N 3.18Å; A8-I11 PolarHBondContact O-N 3.3Å; I11-I13 VanDerWaalsContact C-N 3.35Å; I11-S14 WeakPolarHBondContact CA-OG 3.49Å; I11-S14 PolarHBondContact O-N 3.1Å; I11-S14 PolarHBondContact O-OG 2.65Å; I11-L15 HydrophobicContact CG2-CD1 4.06Å; I11-L15 WeakPolarHBondContact O-CG 3.22Å; I11-L15 PolarHBondContact O-N 2.95Å
12L75.4Confident67Low106 Ų106110.5 Ų110.556%0.55556%0.564SS**Hα-helixtrans-64.3-39.4174.6-93156000112.1A8 F9 W16A8-L12 PolarHBondContact O-N 3.44Å; F9-L12 PolarHBondContact O-N 2.92Å; L12-W16 WeakPolarHBondContact O-CB 3.06Å; L12-W16 PolarHBondContact O-N 3.44Å
13I76.2Confident66.2Low81 Ų81108.1 Ų108.142%0.41555%0.554SS.*Hα-helixtrans-66.4-42.2175.2-69.7167.3000110.9F9 L10 I11 L15 W16 V17F9-I13 HydrophobicContact CD1-CD1 3.63Å; F9-I13 HydrophobicContact CE1-CD1 3.48Å; F9-I13 VanDerWaalsContact CE1-CD1 3.48Å; F9-I13 HydrophobicContact CE1-CG1 4.41Å; F9-I13 HydrophobicContact CZ-CD1 4.27Å; F9-I13 WeakPolarHBondContact O-CG1 3.41Å; F9-I13 PolarHBondContact O-N 3.35Å; L10-I13 PolarHBondContact O-N 3.4Å; I11-I13 VanDerWaalsContact C-N 3.35Å; I13-L15 VanDerWaalsContact C-N 3.35Å; I13-L15 PolarHBondContact O-N 2.94Å; I13-W16 PolarHBondContact O-N 3.35Å; I13-V17 HydrophobicContact CG2-CG2 4.29Å; I13-V17 WeakPolarHBondContact O-CB 3.46Å; I13-V17 VanDerWaalsContact O-CG2 3.25Å; I13-V17 WeakPolarHBondContact O-CG2 3.29Å; I13-V17 PolarHBondContact O-N 3Å
14S69.3Low65.1Low63 Ų63105.3 Ų105.344%0.44154%0.543SS..Hα-helixtrans-64.2-39.3178.252.60000112.6L10 I11 V17 E18L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-OG 2.95Å; I11-S14 WeakPolarHBondContact CA-OG 3.49Å; I11-S14 PolarHBondContact O-N 3.1Å; I11-S14 PolarHBondContact O-OG 2.65Å; S14-V17 PolarHBondContact O-N 3.02Å; S14-E18 PolarHBondContact O-N 3.44Å
15L71.1Confident63.6Low97 Ų97106.1 Ų106.151%0.50854%0.541SS..Hα-helixtrans-67.2-39.2176-73.1167.1000111.8I11 I13 E18 E19I11-L15 HydrophobicContact CG2-CD1 4.06Å; I11-L15 WeakPolarHBondContact O-CG 3.22Å; I11-L15 PolarHBondContact O-N 2.95Å; I13-L15 VanDerWaalsContact C-N 3.35Å; I13-L15 PolarHBondContact O-N 2.94Å; L15-E18 PolarHBondContact O-N 2.97Å; L15-E19 WeakPolarHBondContact O-CB 3.48Å; L15-E19 PolarHBondContact O-N 3.39Å
16W72.2Confident61.7Low191 Ų191104.3 Ų104.372%0.72354%0.54SS*.Hα-helixtrans-65-38.1174.6-112.671.4000112.8L12 I13 E19 A20L12-W16 WeakPolarHBondContact O-CB 3.06Å; L12-W16 PolarHBondContact O-N 3.44Å; I13-W16 PolarHBondContact O-N 3.35Å; W16-E19 PolarHBondContact O-N 2.89Å; W16-A20 VanDerWaalsContact O-CB 3.31Å; W16-A20 WeakPolarHBondContact O-CB 3.42Å; W16-A20 PolarHBondContact O-N 3.22Å
17V71Confident59.7Low90 Ų90105.7 Ų105.755%0.54555%0.553SS.*Hα-helixtrans-69-39.4177.2171.10000111I13 S14 A20 Y21I13-V17 HydrophobicContact CG2-CG2 4.29Å; I13-V17 WeakPolarHBondContact O-CB 3.46Å; I13-V17 VanDerWaalsContact O-CG2 3.25Å; I13-V17 WeakPolarHBondContact O-CG2 3.29Å; I13-V17 PolarHBondContact O-N 3Å; S14-V17 PolarHBondContact O-N 3.02Å; V17-A20 PolarHBondContact O-N 3.22Å; V17-Y21 VanDerWaalsContact O-CB 3.27Å; V17-Y21 WeakPolarHBondContact O-CB 3.46Å; V17-Y21 PolarHBondContact O-N 3.27Å
18E59.3Low57.7Low134 Ų134110.4 Ų110.463%0.62657%0.568SS**Hα-helixtrans-64.2-40.5173.2-89.1-177.3144.900112.5S14 L15 Y21 S22S14-E18 PolarHBondContact O-N 3.44Å; L15-E18 PolarHBondContact O-N 2.97Å; E18-Y21 PolarHBondContact O-N 3.07Å; E18-S22 VanDerWaalsContact O-CB 3.32Å; E18-S22 WeakPolarHBondContact O-CB 3.25Å; E18-S22 PolarHBondContact O-N 2.97Å
19E53.8Low55.5Low115 Ų115117 Ų11754%0.53759%0.587SS.*Hα-helixtrans-71.3-35.5179.3-160.1171.6168.700112.2L15 W16 K23L15-E19 WeakPolarHBondContact O-CB 3.48Å; L15-E19 PolarHBondContact O-N 3.39Å; W16-E19 PolarHBondContact O-N 2.89Å; E19-K23 WeakPolarHBondContact O-CB 3.36Å; E19-K23 PolarHBondContact O-N 3.42Å; E19-K23 IonicContact OE1-NZ 3.7Å
20A56.8Low53.1Low56 Ų56113.4 Ų113.446%0.46359%0.591SS.*Hα-helixtrans-66.6-41.9171.700000112W16 V17 K23 E24W16-A20 VanDerWaalsContact O-CB 3.31Å; W16-A20 WeakPolarHBondContact O-CB 3.42Å; W16-A20 PolarHBondContact O-N 3.22Å; V17-A20 PolarHBondContact O-N 3.22Å; A20-K23 PolarHBondContact O-N 3.14Å; A20-E24 PolarHBondContact O-N 3.32Å
21Y43.2Very low51.1Low146 Ų146117.5 Ų117.557%0.57360%0.604SS**Hα-helixtrans-68.5-34.8177.8-163-102.1000112.4V17 E18 E24 K25V17-Y21 VanDerWaalsContact O-CB 3.27Å; V17-Y21 WeakPolarHBondContact O-CB 3.46Å; V17-Y21 PolarHBondContact O-N 3.27Å; E18-Y21 PolarHBondContact O-N 3.07Å; Y21-E24 PolarHBondContact O-N 3.22Å; Y21-K25 HydrophobicContact CE1-CD 4.49Å; Y21-K25 PolarHBondContact O-N 3.32Å
22S43.8Very low48.8Very low79 Ų79116 Ų11655%0.55261%0.613SS**Hα-helixtrans-68.3-40.9173.7-172.30000112.3E18 E24 K25 S26E18-S22 VanDerWaalsContact O-CB 3.32Å; E18-S22 WeakPolarHBondContact O-CB 3.25Å; E18-S22 PolarHBondContact O-N 2.97Å; S22-E24 VanDerWaalsContact C-N 3.35Å; S22-E24 PolarHBondContact O-N 3.4Å; S22-K25 PolarHBondContact O-N 3.17Å; S22-S26 PolarHBondContact O-N 3.47Å; S22-S26 VanDerWaalsContact O-N 3.16Å
23K42.4Very low46.7Very low139 Ų139120.3 Ų120.360%0.60463%0.627SS**Hα-helixtrans-65.7-34.2174.7-83.9175.3179.2160.60112.8E19 A20 S26 S27E19-K23 WeakPolarHBondContact O-CB 3.36Å; E19-K23 PolarHBondContact O-N 3.42Å; E19-K23 IonicContact OE1-NZ 3.7Å; A20-K23 PolarHBondContact O-N 3.14Å; K23-S26 PolarHBondContact O-N 3.5Å; K23-S27 PolarHBondContact O-N 2.94Å; K23-S27 VanDerWaalsContact O-N 3.15Å
24E39.4Very low44.8Very low110 Ų110126 Ų12651%0.51465%0.649SS.*Hα-helixtrans-70.7-33.4177.1-149.8-17215000112.8A20 Y21 S22 K28A20-E24 PolarHBondContact O-N 3.32Å; Y21-E24 PolarHBondContact O-N 3.22Å; S22-E24 VanDerWaalsContact C-N 3.35Å; S22-E24 PolarHBondContact O-N 3.4Å; E24-K28 PolarHBondContact O-N 3Å; E24-K28 IonicContact OE1-NZ 3.77Å; E24-K28 PolarHBondContact OE1-NZ 3.33Å
25K34.8Very low43.2Very low150 Ų150131.7 Ų131.765%0.65267%0.666SS**Hα-helixtrans-70.2-30.1171.4-81.1-174.1178.4177.50113.4Y21 S22Y21-K25 HydrophobicContact CE1-CD 4.49Å; Y21-K25 PolarHBondContact O-N 3.32Å; S22-K25 PolarHBondContact O-N 3.17Å
26S32.1Very low42.1Very low96 Ų96135.7 Ų135.767%0.67168%0.682SS**Hα-helixtrans-74.3-33.8177.1-164.90000112.7S22 K23S22-S26 PolarHBondContact O-N 3.47Å; S22-S26 VanDerWaalsContact O-N 3.16Å; K23-S26 PolarHBondContact O-N 3.5Å
27S30.2Very low41.4Very low104 Ų104134.1 Ų134.173%0.72768%0.677SS**Hα-helixtrans-78.5-20.3-178.1-163.30000114.3K23K23-S27 PolarHBondContact O-N 2.94Å; K23-S27 VanDerWaalsContact O-N 3.15Å
28K32.4Very low41.2Very low156 Ų156134.2 Ų134.268%0.67867%0.674SS**THydrogen-bonded Turntrans-92.920.6178-75.6175.7177.8155.50114.9E24 G30E24-K28 PolarHBondContact O-N 3Å; E24-K28 IonicContact OE1-NZ 3.77Å; E24-K28 PolarHBondContact OE1-NZ 3.33Å; K28-G30 PolarHBondContact O-N 3.14Å
29K29.7Very low41.9Very low187 Ų187128.7 Ų128.781%0.81365%0.65SS**  trans-85.272.4156.2-90.1-175.9178.7173.60109.1K31K29-K31 PolarHBondContact O-N 3.13Å
30G29.5Very low42.7Very low68 Ų68123.5 Ų123.570%0.70163%0.626SS**  trans-52.1115.4156.500000107.1K28 G32K28-G30 PolarHBondContact O-N 3.14Å; G30-G32 PolarHBondContact O-N 2.99Å
31K32Very low43Very low201 Ų201123.5 Ų123.587%0.87462%0.623SS**  trans-58.985.9165.9-77.4178.2176.4174.30106.8K29 K33K29-K31 PolarHBondContact O-N 3.13Å; K31-K33 PolarHBondContact O-N 3.35Å
32G29.6Very low44.3Very low68 Ų68122.3 Ų122.370%0.70162%0.622SS**  trans-56.9100.8153.500000104.7G30 K34G30-G32 PolarHBondContact O-N 2.99Å; G32-K34 VanDerWaalsContact C-N 3.26Å; G32-K34 PolarHBondContact O-N 3.33Å
33K32.2Very low45.5Very low196 Ų196121.5 Ų121.585%0.85261%0.61SS**  trans-53.2101.9166.5-72.7-179177.6179.20104.6K31 K35K31-K33 PolarHBondContact O-N 3.35Å; K33-K35 PolarHBondContact O-N 3.43Å
34K35.3Very low46.7Very low201 Ų201117.6 Ų117.687%0.87460%0.6SS**  trans-51.5115.2162.4-80.6-174.4174.7-175.50103.7G32 Q36G32-K34 VanDerWaalsContact C-N 3.26Å; G32-K34 PolarHBondContact O-N 3.33Å; K34-Q36 PolarHBondContact O-N 3.22Å
35K36.9Very low48.1Very low182 Ų182116 Ų11679%0.79161%0.606SS**  trans-50.3111.5175.8-77.7-179.1176.2179.20106.1K33 Y37K33-K35 PolarHBondContact O-N 3.43Å; K35-Y37 WeakPolarHBondContact O-CD2 3.03Å; K35-Y37 PolarHBondContact O-N 3.42Å; K35-Y37 VanDerWaalsContact O-N 3.08Å
36Q48.1Very low49.6Very low181 Ų181115.5 Ų115.585%0.84661%0.606SS**  trans-71.8106.3177.7-168.1155.70.400105.2K34 L38K34-Q36 PolarHBondContact O-N 3.22Å; Q36-L38 PolarHBondContact O-N 2.95Å
37Y57.3Low51.4Low157 Ų157114.1 Ų114.162%0.61659%0.591SS**PPolyproline II helixtrans-62.5119.2178.3-75.3-87000108K35 T133K35-Y37 WeakPolarHBondContact O-CD2 3.03Å; K35-Y37 PolarHBondContact O-N 3.42Å; K35-Y37 VanDerWaalsContact O-N 3.08Å; Y37-T133 HydrophobicContact CD1-CG2 4.17Å; Y37-T133 HydrophobicContact CE1-CG2 3.83Å; Y37-T133 HydrophobicContact CE2-CG2 4.32Å
38L66.3Low53.2Low92 Ų92111 Ų11148%0.48257%0.566SS.*PPolyproline II helixtrans-96.7116.9-176.7-160.969.9000108.1Q36 Q42 Q43Q36-L38 PolarHBondContact O-N 2.95Å; L38-Q42 HydrophobicContact CD1-CB 3.64Å; L38-Q42 HydrophobicContact CD2-CB 4.37Å; L38-Q42 WeakPolarHBondContact CD2-O 3.43Å; L38-Q42 HydrophobicContact CG-CB 3.66Å; L38-Q43 HydrophobicContact CD2-CG 4.14Å; L38-Q43 HydrophobicContact CG-CG 4.45Å; L38-Q43 PolarHBondContact O-NE2 2.89Å
39C74.2Confident54.9Low19 Ų19107.6 Ų107.613%0.12857%0.567CS.*PPolyproline II helixtrans-59.2149.7177.7-63.80000110.1S41 Q42 Q43 C137C39-S41 PolarHBondContact O-N 3.27Å; C39-S41 VanDerWaalsContact O-N 3.1Å; C39-Q42 WeakPolarHBondContact O-CA 3.47Å; C39-Q42 WeakPolarHBondContact O-CB 3.47Å; C39-Q42 PolarHBondContact O-N 3.21Å; C39-Q43 PolarHBondContact O-N 3.1Å; C39-C137 WeakPolarHBondContact CA-SG 3.14Å; C39-C137 HydrophobicContact CB-CB 3.79Å; C39-C137 WeakPolarHBondContact CB-SG 3.4Å; C39-C137 VanDerWaalsContact SG-CA 3.55Å; C39-C137 WeakPolarHBondContact SG-CB 3.27Å; C39-C137 CovalentContact SG-SG 2.04Å; C39-C137 PolarHBondContact SG-SG 3.4Å
40P69.8Low56.8Low5 Ų5107.4 Ų107.43%0.03256%0.561CS.*G310 helixtrans-56.2-29.4179.9-29.838.3000114.3Q42 Q43 L64 M134P40-Q42 PolarHBondContact O-N 3.23Å; P40-Q43 PolarHBondContact O-N 3.41Å; P40-L64 HydrophobicContact CB-CB 3.99Å; P40-L64 HydrophobicContact CG-CB 4.25Å; P40-L64 HydrophobicContact CG-CD1 3.89Å; P40-M134 HydrophobicContact CG-CE 3.86Å; P40-M134 HydrophobicContact CG-SD 4.43Å
41S64.9Low58.8Low57 Ų57105.9 Ų105.940%0.39954%0.538SS..G310 helixtrans-63.9-16.817251.30000114.7C39 L64C39-S41 PolarHBondContact O-N 3.27Å; C39-S41 VanDerWaalsContact O-N 3.1Å; S41-L64 WeakPolarHBondContact CB-O 3.35Å
42Q68.5Low60.7Low120 Ų120100.7 Ų100.756%0.56153%0.525SS*.G310 helixtrans-107.5-1-178.1-64175.2-20.700112.5L38 C39 P40L38-Q42 HydrophobicContact CD1-CB 3.64Å; L38-Q42 HydrophobicContact CD2-CB 4.37Å; L38-Q42 WeakPolarHBondContact CD2-O 3.43Å; L38-Q42 HydrophobicContact CG-CB 3.66Å; C39-Q42 WeakPolarHBondContact O-CA 3.47Å; C39-Q42 WeakPolarHBondContact O-CB 3.47Å; C39-Q42 PolarHBondContact O-N 3.21Å; P40-Q42 PolarHBondContact O-N 3.23Å
43Q70.3Confident62.3Low62 Ų62100.7 Ų100.729%0.2952%0.518SS..SBendtrans-81.8148.9179.9-69.2177.422.200111.8L38 C39 P40 L48L38-Q43 HydrophobicContact CD2-CG 4.14Å; L38-Q43 HydrophobicContact CG-CG 4.45Å; L38-Q43 PolarHBondContact O-NE2 2.89Å; C39-Q43 PolarHBondContact O-N 3.1Å; P40-Q43 PolarHBondContact O-N 3.41Å; Q43-L48 HydrophobicContact CB-CG 4.45Å
44S68.1Low64Low57 Ų5799.3 Ų99.340%0.39952%0.52SS..  trans-66.8148.7175.5-178.70000110.8E46 D47 L48S44-E46 PolarHBondContact O-N 3.47Å; S44-E46 VanDerWaalsContact O-N 3.14Å; S44-D47 PolarHBondContact O-N 2.92Å; S44-L48 PolarHBondContact O-N 3.21Å
45A67.3Low65.8Low78 Ų7891.6 Ų91.665%0.64549%0.492SS*.Hα-helixtrans-56.4-29.717600000112.6A49A45-A49 WeakPolarHBondContact O-CB 3.21Å; A45-A49 PolarHBondContact O-N 3.16Å; A45-A49 VanDerWaalsContact O-N 3.12Å
46E67.8Low67.6Low138 Ų13886.3 Ų86.365%0.64547%0.474SS*.Hα-helixtrans-68.1-34.9176.2-65.9170.1179.100112.8S44S44-E46 PolarHBondContact O-N 3.47Å; S44-E46 VanDerWaalsContact O-N 3.14Å
47D68.8Low68.9Low67 Ų6780.9 Ų80.936%0.35846%0.456SS..Hα-helixtrans-77.1-35.4179.2-66.5-38.3000111.2S44 A49 R50S44-D47 PolarHBondContact O-N 2.92Å; D47-A49 VanDerWaalsContact C-N 3.35Å; D47-R50 PolarHBondContact O-N 3.36Å; D47-R50 IonicContact OD1-CZ 3.75Å; D47-R50 IonicContact OD1-NH1 2.75Å; D47-R50 PolarHBondContact OD1-NH1 2.85Å
48L69.1Low69.9Low40 Ų4074.5 Ų74.521%0.20943%0.433CS..Hα-helixtrans-65.5-36.6173.7-72.8160.4000112Q43 S44 R50 V51 N61 V65Q43-L48 HydrophobicContact CB-CG 4.45Å; S44-L48 PolarHBondContact O-N 3.21Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 3.02Å; L48-V51 PolarHBondContact O-N 3.45Å; L48-N61 HydrophobicContact CD2-CB 3.69Å; L48-V65 HydrophobicContact CD1-CG2 4.04Å; L48-V65 HydrophobicContact CD2-CG2 4.29Å
49A66.4Low70.5Confident84 Ų8471.5 Ų71.569%0.69442%0.417SS*.Hα-helixtrans-71.3-17.6179.700000114.2A45 D47 V51A45-A49 WeakPolarHBondContact O-CB 3.21Å; A45-A49 PolarHBondContact O-N 3.16Å; A45-A49 VanDerWaalsContact O-N 3.12Å; D47-A49 VanDerWaalsContact C-N 3.35Å; A49-V51 VanDerWaalsContact C-N 3.3Å
50R70.1Confident70.8Confident183 Ų18371.8 Ų71.869%0.69142%0.417SS*.THydrogen-bonded Turntrans-76.1-15.6175.9-71.9179.1-174.2134.86.8113.4D47 L48D47-R50 PolarHBondContact O-N 3.36Å; D47-R50 IonicContact OD1-CZ 3.75Å; D47-R50 IonicContact OD1-NH1 2.75Å; D47-R50 PolarHBondContact OD1-NH1 2.85Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 3.02Å
51V71.1Confident71.4Confident36 Ų3672.3 Ų72.322%0.21842%0.42CS..SBendtrans-81.7128.6-178.2-176.90000110.1L48 A49 A53 N58L48-V51 PolarHBondContact O-N 3.45Å; A49-V51 VanDerWaalsContact C-N 3.3Å; V51-A53 PolarHBondContact O-N 3.15Å; V51-N58 HydrophobicContact CG1-CB 4.24Å
52P73.1Confident72.1Confident92 Ų9277 Ų7760%0.59743%0.429SS*.  trans-56.2135178.2-25.133.3000112.6N54 S55P52-N54 PolarHBondContact O-N 3.22Å; P52-N54 VanDerWaalsContact O-N 3.1Å; P52-S55 WeakPolarHBondContact O-CB 3.49Å; P52-S55 PolarHBondContact O-N 2.9Å
53A63.3Low72.8Confident67 Ų6772.3 Ų72.355%0.55441%0.408SS*.THydrogen-bonded Turntrans-58.7-29.8-17300000114.3V51 N58V51-A53 PolarHBondContact O-N 3.15Å; A53-N58 WeakPolarHBondContact CA-ND2 3.37Å; A53-N58 PolarHBondContact O-ND2 3.05Å
54N66.8Low73.4Confident168 Ų16869.5 Ų69.590%0.89840%0.395SS*.THydrogen-bonded Turntrans-95.46.3-177.6-65.2-14.1000113.9P52P52-N54 PolarHBondContact O-N 3.22Å; P52-N54 VanDerWaalsContact O-N 3.1Å
55S73.4Confident74.2Confident39 Ų3970.6 Ų70.627%0.27340%0.399SS..SBendtrans-83.5145.3179.6-178.10000111.8P52 S57 N58P52-S55 WeakPolarHBondContact O-CB 3.49Å; P52-S55 PolarHBondContact O-N 2.9Å; S55-S57 PolarHBondContact O-N 3.29Å; S55-S57 VanDerWaalsContact O-N 3.13Å; S55-S57 PolarHBondContact OG-N 2.79Å; S55-N58 WeakPolarHBondContact O-CB 3.24Å; S55-N58 PolarHBondContact O-N 3.33Å
56T74.2Confident74.9Confident70 Ų7072.1 Ų72.143%0.42941%0.405SS..Hα-helixtrans-53.5-30.3170.2-47.50000112.2N58 I59 L60 F122 L128T56-N58 VanDerWaalsContact C-N 3.29Å; T56-N58 PolarHBondContact O-N 3.39Å; T56-I59 WeakPolarHBondContact O-CB 3.24Å; T56-I59 PolarHBondContact O-N 3.15Å; T56-L60 PolarHBondContact O-N 3.37Å; T56-F122 HydrophobicContact CG2-CE2 4.2Å; T56-L128 HydrophobicContact CG2-CD1 3.37Å; T56-L128 HydrophobicContact CG2-CD2 4.44Å
57S75.7Confident76Confident67 Ų6766.1 Ų66.147%0.46938%0.376SS..Hα-helixtrans-62.9-32.9175.1-53.80000112.9S55 I59 N61S55-S57 PolarHBondContact O-N 3.29Å; S55-S57 VanDerWaalsContact O-N 3.13Å; S55-S57 PolarHBondContact OG-N 2.79Å; S57-I59 VanDerWaalsContact C-N 3.34Å; S57-N61 VanDerWaalsContact O-CG 3.27Å; S57-N61 PolarHBondContact O-N 3.25Å; S57-N61 VanDerWaalsContact O-N 3.12Å; S57-N61 PolarHBondContact O-ND2 2.89Å
58N78.4Confident76.9Confident23 Ų2364.9 Ų64.912%0.12337%0.369CS..Hα-helixtrans-71-32.3177.4-169.124.2000111.7V51 A53 S55 T56 N61 R62V51-N58 HydrophobicContact CG1-CB 4.24Å; A53-N58 WeakPolarHBondContact CA-ND2 3.37Å; A53-N58 PolarHBondContact O-ND2 3.05Å; S55-N58 WeakPolarHBondContact O-CB 3.24Å; S55-N58 PolarHBondContact O-N 3.33Å; T56-N58 VanDerWaalsContact C-N 3.29Å; T56-N58 PolarHBondContact O-N 3.39Å; N58-N61 PolarHBondContact O-N 2.87Å; N58-R62 PolarHBondContact ND2-NE 2.95Å; N58-R62 PolarHBondContact ND2-NH2 3.44Å; N58-R62 WeakPolarHBondContact O-CB 3.33Å; N58-R62 VanDerWaalsContact O-CG 3.26Å; N58-R62 WeakPolarHBondContact O-CG 3.33Å; N58-R62 PolarHBondContact O-N 3.15Å
59I80Confident77.9Confident30 Ų3065 Ų6515%0.15437%0.372CS..Hα-helixtrans-63.4-47.4176.7-58.9173.9000109.7T56 S57 N61 R62 L63 L118 P119 F122T56-I59 WeakPolarHBondContact O-CB 3.24Å; T56-I59 PolarHBondContact O-N 3.15Å; S57-I59 VanDerWaalsContact C-N 3.34Å; I59-N61 VanDerWaalsContact C-N 3.35Å; I59-N61 PolarHBondContact O-N 3.49Å; I59-R62 PolarHBondContact O-N 3.24Å; I59-L63 HydrophobicContact CG2-CD1 4.2Å; I59-L63 WeakPolarHBondContact O-CG 3.41Å; I59-L63 PolarHBondContact O-N 3.19Å; I59-L63 VanDerWaalsContact O-N 3.09Å; I59-L118 HydrophobicContact CG2-CD2 4.27Å; I59-P119 HydrophobicContact CG2-CG 4.3Å; I59-F122 HydrophobicContact CD1-CB 4.42Å; I59-F122 HydrophobicContact CD1-CD2 3.55Å; I59-F122 HydrophobicContact CD1-CE2 4.29Å; I59-F122 HydrophobicContact CD1-CG 4.41Å
60L79.4Confident79Confident24 Ų2470.5 Ų70.513%0.12638%0.376CS..Hα-helixtrans-63.9-41178.7-170.261.9000111.8T56 L63 L64 V130 M134 I165T56-L60 PolarHBondContact O-N 3.37Å; L60-L63 PolarHBondContact O-N 2.99Å; L60-L64 HydrophobicContact CD1-CD1 3.73Å; L60-L64 HydrophobicContact CD1-CG 4.24Å; L60-L64 HydrophobicContact CG-CD1 3.79Å; L60-L64 WeakPolarHBondContact O-CB 3.31Å; L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.25Å; L60-L64 PolarHBondContact O-N 2.92Å; L60-V130 HydrophobicContact CD2-CG1 4.07Å; L60-M134 HydrophobicContact CD2-CE 3.74Å; L60-M134 HydrophobicContact CD2-CG 4.41Å; L60-M134 HydrophobicContact CG-CE 4.39Å; L60-I165 HydrophobicContact CD1-CD1 4.5Å
61N82Confident80.1Confident16 Ų1665.3 Ų65.39%0.08636%0.36CS..Hα-helixtrans-61.5-46.5175.1-73-12.8000111.8L48 S57 N58 I59 L63 L64 V65L48-N61 HydrophobicContact CD2-CB 3.69Å; S57-N61 VanDerWaalsContact O-CG 3.27Å; S57-N61 PolarHBondContact O-N 3.25Å; S57-N61 VanDerWaalsContact O-N 3.12Å; S57-N61 PolarHBondContact O-ND2 2.89Å; N58-N61 PolarHBondContact O-N 2.87Å; I59-N61 VanDerWaalsContact C-N 3.35Å; I59-N61 PolarHBondContact O-N 3.49Å; N61-L63 VanDerWaalsContact C-N 3.3Å; N61-L63 PolarHBondContact O-N 3.38Å; N61-L64 PolarHBondContact O-N 2.9Å; N61-V65 WeakPolarHBondContact O-CG2 3.16Å; N61-V65 PolarHBondContact O-N 3.02Å
62R80.8Confident81.2Confident155 Ų15564.4 Ų64.459%0.58535%0.353SS*.Hα-helixtrans-58.9-39.9177.6-75.2173.6-179.5-169.2-1.6112.8N58 I59N58-R62 PolarHBondContact ND2-NE 2.95Å; N58-R62 PolarHBondContact ND2-NH2 3.44Å; N58-R62 WeakPolarHBondContact O-CB 3.33Å; N58-R62 VanDerWaalsContact O-CG 3.26Å; N58-R62 WeakPolarHBondContact O-CG 3.33Å; N58-R62 PolarHBondContact O-N 3.15Å; I59-R62 PolarHBondContact O-N 3.24Å
63L82.4Confident82.1Confident23 Ų2360 Ų6012%0.1233%0.325CS..Hα-helixtrans-69.7-37.4178.1-68.6170.9000112.2I59 L60 N61 K117 L118I59-L63 HydrophobicContact CG2-CD1 4.2Å; I59-L63 WeakPolarHBondContact O-CG 3.41Å; I59-L63 PolarHBondContact O-N 3.19Å; I59-L63 VanDerWaalsContact O-N 3.09Å; L60-L63 PolarHBondContact O-N 2.99Å; N61-L63 VanDerWaalsContact C-N 3.3Å; N61-L63 PolarHBondContact O-N 3.38Å; L63-K117 WeakPolarHBondContact CD2-O 3.28Å; L63-L118 HydrophobicContact CD1-CD2 3.85Å
64L84.3Confident83.4Confident3 Ų359.7 Ų59.72%0.01631%0.314CS..Hα-helixtrans-92.6-15.7-170.5-66178.2000114.9P40 S41 L60 N61 S66 Y67 L116 M134 L138P40-L64 HydrophobicContact CB-CB 3.99Å; P40-L64 HydrophobicContact CG-CB 4.25Å; P40-L64 HydrophobicContact CG-CD1 3.89Å; S41-L64 WeakPolarHBondContact CB-O 3.35Å; L60-L64 HydrophobicContact CD1-CD1 3.73Å; L60-L64 HydrophobicContact CD1-CG 4.24Å; L60-L64 HydrophobicContact CG-CD1 3.79Å; L60-L64 WeakPolarHBondContact O-CB 3.31Å; L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.25Å; L60-L64 PolarHBondContact O-N 2.92Å; N61-L64 PolarHBondContact O-N 2.9Å; L64-S66 VanDerWaalsContact C-N 3.31Å; L64-S66 PolarHBondContact O-N 3.18Å; L64-Y67 HydrophobicContact CD2-CD1 4.06Å; L64-Y67 HydrophobicContact CD2-CG 3.98Å; L64-Y67 PolarHBondContact O-N 3.33Å; L64-L116 HydrophobicContact CD2-CD2 3.99Å; L64-M134 HydrophobicContact CD1-CE 4Å; L64-M134 HydrophobicContact CD1-CG 4.12Å; L64-M134 HydrophobicContact CD1-SD 3.34Å; L64-M134 WeakPolarHBondContact CD1-SD 3.5Å; L64-L138 HydrophobicContact CD2-CD2 3.66Å
65V83.3Confident84.5Confident80 Ų8057.8 Ų57.849%0.48530%0.298SS..THydrogen-bonded Turntrans-59-41.5178.7162.40000112L48 N61L48-V65 HydrophobicContact CD1-CG2 4.04Å; L48-V65 HydrophobicContact CD2-CG2 4.29Å; N61-V65 WeakPolarHBondContact O-CG2 3.16Å; N61-V65 PolarHBondContact O-N 3.02Å
66S83.4Confident85.1Confident110 Ų11064.7 Ų64.777%0.76932%0.323SS*.THydrogen-bonded Turntrans-96.86.1177.958.90000113.9L64L64-S66 VanDerWaalsContact C-N 3.31Å; L64-S66 PolarHBondContact O-N 3.18Å
67Y89.2Confident85.9Confident11 Ų1163.6 Ų63.64%0.04333%0.325CS..  trans-86.8124.1-173-172.6-93.4000111.5L64 P69 D113 R115 L116 L138 W139L64-Y67 HydrophobicContact CD2-CD1 4.06Å; L64-Y67 HydrophobicContact CD2-CG 3.98Å; L64-Y67 PolarHBondContact O-N 3.33Å; Y67-P69 HydrophobicContact CD1-CB 4.36Å; Y67-P69 HydrophobicContact CE1-CB 3.92Å; Y67-P69 WeakPolarHBondContact O-CD 3.36Å; Y67-D113 VanDerWaalsContact CE2-OD2 3.29Å; Y67-D113 WeakPolarHBondContact CE2-OD2 3.37Å; Y67-D113 PolarHBondContact OH-OD2 3.1Å; Y67-R115 HydrophobicContact CD2-CB 3.95Å; Y67-R115 HydrophobicContact CE2-CB 4Å; Y67-R115 PolarHBondContact OH-NH2 3.17Å; Y67-L116 HydrophobicContact CD2-CD2 3.87Å; Y67-L116 HydrophobicContact CD2-CG 4.37Å; Y67-L116 HydrophobicContact CE2-CD1 4.2Å; Y67-L116 HydrophobicContact CE2-CD2 3.78Å; Y67-L116 HydrophobicContact CE2-CG 3.85Å; Y67-L138 HydrophobicContact CE1-CD2 4.03Å; Y67-W139 WeakPolarHBondContact OH-CB 3.1Å; Y67-W139 PolarHBondContact OH-N 2.73Å
68D89.6Confident86.7Confident41 Ų4166.1 Ų66.122%0.21933%0.332CS..  trans-103.4107.8171.4-165.9-19.6000110.9R70 I71 R115D68-R70 PolarHBondContact O-N 3.35Å; D68-R70 VanDerWaalsContact OD1-CB 3.28Å; D68-R70 WeakPolarHBondContact OD1-CB 3.32Å; D68-R70 WeakPolarHBondContact OD1-CG 3.41Å; D68-R70 IonicContact OD1-CZ 2.76Å; D68-R70 PolarHBondContact OD1-N 3.44Å; D68-R70 IonicContact OD1-NE 3.16Å; D68-R70 PolarHBondContact OD1-NE 3.34Å; D68-R70 IonicContact OD1-NH2 3.86Å; D68-R70 IonicContact OD2-CZ 2.92Å; D68-R70 IonicContact OD2-NE 3.69Å; D68-R70 PolarHBondContact OD2-NE 3.07Å; D68-R70 IonicContact OD2-NH2 3.75Å; D68-R70 PolarHBondContact OD2-NH2 3.32Å; D68-I71 HydrophobicContact CB-CD1 4.42Å; D68-R115 PolarHBondContact O-NH1 2.95Å; D68-R115 VanDerWaalsContact O-NH1 3.13Å
69P89.9Confident87.5Confident42 Ų4266.3 Ų66.327%0.27333%0.334SS..THydrogen-bonded Turntrans-72.3-11.2179.628-33.7000114.2Y67 I71 C137 W139Y67-P69 HydrophobicContact CD1-CB 4.36Å; Y67-P69 HydrophobicContact CE1-CB 3.92Å; Y67-P69 WeakPolarHBondContact O-CD 3.36Å; P69-I71 VanDerWaalsContact C-N 3.31Å; P69-C137 WeakPolarHBondContact CB-O 3.21Å; P69-W139 WeakPolarHBondContact O-CB 3.21Å; P69-W139 VanDerWaalsContact O-CD1 3.31Å
70R89.8Confident88.3Confident201 Ų20165 Ų6576%0.75833%0.328SS*.THydrogen-bonded Turntrans-78.4-20.3-178.5-59.6171.2-66.7179.22.9112.4D68D68-R70 PolarHBondContact O-N 3.35Å; D68-R70 VanDerWaalsContact OD1-CB 3.28Å; D68-R70 WeakPolarHBondContact OD1-CB 3.32Å; D68-R70 WeakPolarHBondContact OD1-CG 3.41Å; D68-R70 IonicContact OD1-CZ 2.76Å; D68-R70 PolarHBondContact OD1-N 3.44Å; D68-R70 IonicContact OD1-NE 3.16Å; D68-R70 PolarHBondContact OD1-NE 3.34Å; D68-R70 IonicContact OD1-NH2 3.86Å; D68-R70 IonicContact OD2-CZ 2.92Å; D68-R70 IonicContact OD2-NE 3.69Å; D68-R70 PolarHBondContact OD2-NE 3.07Å; D68-R70 IonicContact OD2-NH2 3.75Å; D68-R70 PolarHBondContact OD2-NH2 3.32Å
71I91.9Very high89.1Confident73 Ų7367.7 Ų67.737%0.37434%0.343SS..SBendtrans-106.1129.9-174.7-56174.9000108.4D68 P69 F75 R115D68-I71 HydrophobicContact CB-CD1 4.42Å; P69-I71 VanDerWaalsContact C-N 3.31Å; I71-F75 HydrophobicContact CG2-CB 3.75Å; I71-F75 HydrophobicContact CG2-CD2 4.04Å; I71-F75 HydrophobicContact CG2-CG 3.88Å; I71-R115 PolarHBondContact O-NH1 3.06Å; I71-R115 VanDerWaalsContact O-NH1 3.14Å; I71-R115 PolarHBondContact O-NH2 3.49Å
72R93.5Very high89.8Confident17 Ų1767 Ų676%0.06434%0.339CS..  trans-62.2150.2176.472.6151.3-168.4-9814.1112.2F75 W139 Y206 D210R72-F75 HydrophobicContact CG-CD2 4.23Å; R72-W139 VanDerWaalsContact CA-NE1 3.34Å; R72-W139 HydrophobicContact CB-CZ2 3.66Å; R72-Y206 HydrophobicContact CB-CE1 4.11Å; R72-Y206 HydrophobicContact CG-CE1 4.31Å; R72-D210 IonicContact CZ-OD1 3.41Å; R72-D210 IonicContact CZ-OD2 2.83Å; R72-D210 IonicContact NH1-OD1 3.61Å; R72-D210 PolarHBondContact NH1-OD1 3.34Å; R72-D210 IonicContact NH1-OD2 3.64Å; R72-D210 PolarHBondContact NH1-OD2 2.95Å; R72-D210 IonicContact NH2-OD1 3.69Å; R72-D210 PolarHBondContact NH2-OD1 2.8Å
73P93.4Very high90.6Very high1 Ų161.4 Ų61.41%0.00632%0.322CS..THydrogen-bonded Turntrans-54.5148.2166.7-20.329.9000110.4F75 V80 D113 W139P73-F75 VanDerWaalsContact C-N 3.29Å; P73-F75 PolarHBondContact O-N 2.9Å; P73-V80 HydrophobicContact CB-CG2 3.97Å; P73-V80 HydrophobicContact CG-CG2 4.32Å; P73-V80 VanDerWaalsContact O-CG2 3.29Å; P73-V80 WeakPolarHBondContact O-CG2 3.46Å; P73-D113 HydrophobicContact CB-CB 4.43Å; P73-D113 HydrophobicContact CG-CB 4.03Å; P73-W139 HydrophobicContact CG-CD2 4.21Å; P73-W139 HydrophobicContact CG-CE3 3.73Å; P73-W139 HydrophobicContact CG-CZ3 3.92Å
74N91.3Very high91.3Very high59 Ų5960.3 Ų60.332%0.31632%0.316SS..THydrogen-bonded Turntrans53.342.2178.9-53.5-32000113.5K76 G77 I78N74-K76 PolarHBondContact O-N 3.21Å; N74-G77 WeakPolarHBondContact O-CA 3.48Å; N74-G77 PolarHBondContact O-N 3.49Å; N74-I78 HydrophobicContact CB-CG1 4.3Å
75F88.4Confident91.8Very high129 Ų12960.2 Ų60.257%0.56632%0.315SS*.THydrogen-bonded Turntrans-55.1127.1178.1-173.3-108.9000111.5I71 R72 P73 G77I71-F75 HydrophobicContact CG2-CB 3.75Å; I71-F75 HydrophobicContact CG2-CD2 4.04Å; I71-F75 HydrophobicContact CG2-CG 3.88Å; R72-F75 HydrophobicContact CG-CD2 4.23Å; P73-F75 VanDerWaalsContact C-N 3.29Å; P73-F75 PolarHBondContact O-N 2.9Å; F75-G77 PolarHBondContact O-N 3.32Å
76K85.9Confident92.5Very high184 Ų18456.4 Ų56.480%0.829%0.292SS*.THydrogen-bonded Turntrans63.55.9-170.1-56.7179.6174-177.50116N74N74-K76 PolarHBondContact O-N 3.21Å
77G90.6Very high93Very high46 Ų4653.3 Ų53.347%0.47427%0.265SS..SBendtrans-99.8-148.7175.100000112.1N74 F75N74-G77 WeakPolarHBondContact O-CA 3.48Å; N74-G77 PolarHBondContact O-N 3.49Å; F75-G77 PolarHBondContact O-N 3.32Å
78I94.1Very high93.2Very high121 Ų12152.8 Ų52.862%0.62126%0.263SS*.SBendtrans-62.5149.4175.857.3172.7000111.7N74N74-I78 HydrophobicContact CB-CG1 4.3Å
79P94.8Very high93.2Very high26 Ų2653.1 Ų53.117%0.16927%0.265CS..  trans-58.3146.9172.323.3-32.4000110.6D81 D209 D210 R212P79-D81 PolarHBondContact O-N 3.42Å; P79-D209 WeakPolarHBondContact CB-O 3.29Å; P79-D210 WeakPolarHBondContact CA-O 3.45Å; P79-R212 HydrophobicContact CB-CG 4.17Å
80V96.1Very high93.2Very high4 Ų452.7 Ų52.72%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-80.8113.1173.5-177.80000108.3P73 V82 W111 W139 D210 L211 R212P73-V80 HydrophobicContact CB-CG2 3.97Å; P73-V80 HydrophobicContact CG-CG2 4.32Å; P73-V80 VanDerWaalsContact O-CG2 3.29Å; P73-V80 WeakPolarHBondContact O-CG2 3.46Å; V80-V82 HydrophobicContact CG1-CG2 4.19Å; V80-V82 PolarHBondContact O-N 3.47Å; V80-W111 HydrophobicContact CG1-CB 4.05Å; V80-W139 HydrophobicContact CB-CH2 4.46Å; V80-W139 HydrophobicContact CG1-CH2 4.18Å; V80-W139 HydrophobicContact CG1-CZ3 4.28Å; V80-D210 PolarHBondContact N-O 2.89Å; V80-L211 WeakPolarHBondContact O-CA 3.46Å; V80-R212 PolarHBondContact O-N 2.81Å
81D96Very high93.1Very high80 Ų8043.7 Ų43.743%0.42823%0.23SC..EExtended strand (participates in β ladder)trans-78.2119.2172.2-69.9-20.3000109.3P79 I214P79-D81 PolarHBondContact O-N 3.42Å; D81-I214 HydrophobicContact CB-CD1 4.07Å
82V97.1Very high92.7Very high0 Ų041.1 Ų41.10%022%0.221CC..EExtended strand (participates in β ladder)trans-109.4109.1178.4-177.70000108V80 V84 Q109 K110 W111 P141 L211 R212 F213 I214V80-V82 HydrophobicContact CG1-CG2 4.19Å; V80-V82 PolarHBondContact O-N 3.47Å; V82-V84 PolarHBondContact O-N 2.93Å; V82-Q109 HydrophobicContact CG1-CB 4.22Å; V82-K110 CarbonylContact C-O 3.52Å; V82-W111 HydrophobicContact CG2-CB 4.13Å; V82-P141 HydrophobicContact CG1-CB 4.31Å; V82-P141 HydrophobicContact CG1-CG 4.09Å; V82-P141 HydrophobicContact CG2-CB 3.96Å; V82-P141 HydrophobicContact CG2-CG 4.4Å; V82-L211 HydrophobicContact CG2-CD1 4.12Å; V82-L211 HydrophobicContact CG2-CD2 4.12Å; V82-L211 HydrophobicContact CG2-CG 4.02Å; V82-R212 PolarHBondContact N-O 2.83Å; V82-F213 HydrophobicContact CB-CD1 3.71Å; V82-F213 HydrophobicContact CB-CE1 3.88Å; V82-F213 HydrophobicContact CG1-CD1 3.94Å; V82-F213 HydrophobicContact CG1-CE1 3.88Å; V82-F213 HydrophobicContact CG2-CD1 4.48Å; V82-F213 HydrophobicContact CG2-CE1 4.27Å; V82-F213 WeakPolarHBondContact O-CA 3.36Å; V82-I214 PolarHBondContact O-N 3.48Å
83V96.9Very high92.1Very high38 Ų3844.3 Ų44.323%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-78.5119.5176.7-173.50000109.3Q109 K110 I214 Q216V83-Q109 CarbonylContact O-C 3.56Å; V83-Q109 WeakPolarHBondContact O-CA 3.21Å; V83-K110 HydrophobicContact CB-CB 4.23Å; V83-K110 PolarHBondContact N-O 3.35Å; V83-K110 PolarHBondContact O-N 3.36Å; V83-I214 CarbonylContact C-O 3.4Å; V83-I214 VanDerWaalsContact CA-O 3.29Å; V83-I214 WeakPolarHBondContact CA-O 3.43Å; V83-I214 HydrophobicContact CB-CG1 4.44Å; V83-I214 HydrophobicContact CG2-CD1 3.86Å; V83-I214 HydrophobicContact CG2-CG1 3.96Å; V83-Q216 HydrophobicContact CG1-CB 3.73Å; V83-Q216 HydrophobicContact CG1-CG 4.15Å
84V97.2Very high91.9Very high0 Ų044.5 Ų44.50%025%0.247CC..EExtended strand (participates in β ladder)trans-103133.6-179.3-175.10000109.6V82 I86 L107 R108 L143 L201 F213 I214 W215 Q216V82-V84 PolarHBondContact O-N 2.93Å; V84-I86 HydrophobicContact CG1-CG1 4.27Å; V84-L107 HydrophobicContact CG1-CD1 3.89Å; V84-R108 WeakPolarHBondContact CA-O 3.34Å; V84-L143 HydrophobicContact CG2-CD1 4.22Å; V84-L201 HydrophobicContact CG1-CD2 4.4Å; V84-F213 HydrophobicContact CG2-CB 4.32Å; V84-F213 HydrophobicContact CG2-CD1 3.86Å; V84-F213 HydrophobicContact CG2-CG 4.36Å; V84-I214 PolarHBondContact N-O 3.28Å; V84-W215 HydrophobicContact CB-CE3 4.27Å; V84-W215 HydrophobicContact CB-CZ3 4.26Å; V84-W215 HydrophobicContact CG1-CE3 4.33Å; V84-W215 HydrophobicContact CG1-CH2 4.47Å; V84-W215 HydrophobicContact CG1-CZ3 3.82Å; V84-Q216 PolarHBondContact O-N 2.79Å
85N96.5Very high91.9Very high1 Ų145.4 Ų45.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-134.7137.2170.1168.5-96.7000108.8R108 Q216 D219 P220N85-R108 HydrophobicContact CB-CB 4.05Å; N85-R108 PolarHBondContact N-O 2.9Å; N85-R108 WeakPolarHBondContact O-CA 3.46Å; N85-R108 WeakPolarHBondContact O-CB 3.32Å; N85-R108 PolarHBondContact O-N 2.82Å; N85-R108 WeakPolarHBondContact OD1-CD 3.46Å; N85-R108 PolarHBondContact OD1-NH1 2.89Å; N85-Q216 HydrophobicContact CB-CB 4.06Å; N85-D219 PolarHBondContact ND2-O 3.44Å; N85-P220 PolarHBondContact ND2-O 2.99Å; N85-P220 VanDerWaalsContact ND2-O 3.17Å
86I96.1Very high92Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-122.8128.4-178.6-63178.2000108.5V84 I88 I105 L107 M199 L201 W215 P220 V221 Q222 V258V84-I86 HydrophobicContact CG1-CG1 4.27Å; I86-I88 HydrophobicContact CG2-CG1 4.14Å; I86-I105 HydrophobicContact CG2-CB 4.14Å; I86-I105 HydrophobicContact CG2-CD1 4.38Å; I86-I105 HydrophobicContact CG2-CG2 4.1Å; I86-L107 HydrophobicContact CD1-CD1 4.47Å; I86-L107 HydrophobicContact CG1-CD1 3.99Å; I86-M199 HydrophobicContact CD1-CE 3.54Å; I86-M199 HydrophobicContact CG2-CE 4.22Å; I86-L201 HydrophobicContact CD1-CD1 4.04Å; I86-L201 HydrophobicContact CD1-CD2 3.98Å; I86-W215 HydrophobicContact CD1-CH2 3.76Å; I86-W215 HydrophobicContact CD1-CZ3 3.92Å; I86-W215 HydrophobicContact CG1-CH2 4.42Å; I86-W215 HydrophobicContact CG1-CZ3 4.07Å; I86-P220 PolarHBondContact N-O 3.11Å; I86-V221 WeakPolarHBondContact O-CA 3.26Å; I86-Q222 PolarHBondContact O-N 2.71Å; I86-V258 HydrophobicContact CD1-CG2 4.27Å
87F94.6Very high92.2Very high46 Ų4634.4 Ų34.420%0.20221%0.207CC..EExtended strand (participates in β ladder)trans-111.5119.6166.8-177.4-81.3000109.1N89 I105 F106 Q222 E224F87-N89 HydrophobicContact CD1-CB 4.45Å; F87-N89 HydrophobicContact CE1-CB 4.4Å; F87-N89 PolarHBondContact O-N 3.37Å; F87-I105 CarbonylContact O-C 3.56Å; F87-I105 VanDerWaalsContact O-CA 3.26Å; F87-I105 WeakPolarHBondContact O-CA 3.43Å; F87-F106 HydrophobicContact CB-CB 4.25Å; F87-F106 HydrophobicContact CB-CD2 4.47Å; F87-F106 AromaticContact CD1-CD2 3.73Å; F87-F106 HydrophobicContact CD1-CD2 3.73Å; F87-F106 HydrophobicContact CD1-CE2 4.3Å; F87-F106 HydrophobicContact CE1-CD2 4.44Å; F87-F106 HydrophobicContact CG-CD2 4.45Å; F87-F106 PolarHBondContact N-O 2.99Å; F87-F106 PolarHBondContact O-N 3.37Å; F87-Q222 HydrophobicContact CB-CB 4.38Å; F87-Q222 HydrophobicContact CD2-CB 3.45Å; F87-Q222 VanDerWaalsContact CD2-CB 3.45Å; F87-Q222 HydrophobicContact CD2-CG 4.42Å; F87-Q222 HydrophobicContact CE2-CB 4.1Å; F87-Q222 HydrophobicContact CG-CB 4.25Å; F87-E224 HydrophobicContact CZ-CB 4.22Å
88I93.4Very high92.2Very high0 Ų035.4 Ų35.40%020%0.204CC..EExtended strand (participates in β ladder)trans-88.1109.1178.6-58.5163.9000107.8I86 V103 I105 V221 Q222 L223 I226 F260I86-I88 HydrophobicContact CG2-CG1 4.14Å; I88-V103 HydrophobicContact CG2-CG2 3.92Å; I88-I105 HydrophobicContact CG1-CG2 4.19Å; I88-V221 HydrophobicContact CD1-CG1 3.86Å; I88-Q222 PolarHBondContact N-O 2.73Å; I88-L223 HydrophobicContact CB-CD1 3.57Å; I88-L223 HydrophobicContact CD1-CD1 3.94Å; I88-L223 HydrophobicContact CG1-CD1 4.38Å; I88-L223 HydrophobicContact CG2-CD1 3.46Å; I88-L223 VanDerWaalsContact CG2-CD1 3.46Å; I88-I226 HydrophobicContact CG2-CD1 4.14Å; I88-F260 HydrophobicContact CD1-CE1 3.43Å; I88-F260 VanDerWaalsContact CD1-CE1 3.43Å; I88-F260 HydrophobicContact CD1-CZ 3.71Å
89N90.6Very high92.2Very high47 Ų4732.3 Ų32.325%0.25119%0.188SC..EExtended strand (participates in β ladder)trans-81.7-43.7-179-177.384.9000111.5F87 N104 F106F87-N89 HydrophobicContact CD1-CB 4.45Å; F87-N89 HydrophobicContact CE1-CB 4.4Å; F87-N89 PolarHBondContact O-N 3.37Å; N89-N104 PolarHBondContact N-O 3Å; N89-F106 HydrophobicContact CB-CD2 4.27Å; N89-F106 HydrophobicContact CB-CE2 3.94Å
90S88.6Confident92.2Very high34 Ų3432.2 Ų32.224%0.23819%0.186CC..EExtended strand (participates in β ladder)trans-154.2143.6174.766.20000110.5N104S90-N104 PolarHBondContact N-O 3.33Å; S90-N104 PolarHBondContact O-N 3.02Å; S90-N104 WeakPolarHBondContact OG-CB 3.35Å; S90-N104 PolarHBondContact OG-ND2 2.86Å
91F88.8Confident92.1Very high12 Ų1232 Ų325%0.05319%0.185CC..EExtended strand (participates in β ladder)trans-94.7126.4169-149.4-79.6000107.8I94 Y101 V103 I226 L228 I233 F260 L262F91-I94 HydrophobicContact CE1-CD1 3.88Å; F91-I94 HydrophobicContact CE1-CG1 3.81Å; F91-Y101 AromaticContact CE1-CD2 3.85Å; F91-Y101 HydrophobicContact CE1-CD2 3.85Å; F91-Y101 HydrophobicContact CE1-CG 4.36Å; F91-Y101 HydrophobicContact CE2-CD2 4.06Å; F91-Y101 HydrophobicContact CE2-CE2 4.2Å; F91-Y101 AromaticContact CZ-CD2 3.35Å; F91-Y101 HydrophobicContact CZ-CD2 3.35Å; F91-Y101 AromaticContact CZ-CE2 3.86Å; F91-Y101 HydrophobicContact CZ-CE2 3.86Å; F91-Y101 HydrophobicContact CZ-CG 4.1Å; F91-V103 HydrophobicContact CD2-CG2 4.24Å; F91-I226 HydrophobicContact CB-CG2 4.23Å; F91-L228 HydrophobicContact CB-CD1 4.02Å; F91-L228 HydrophobicContact CB-CD2 4Å; F91-L228 HydrophobicContact CB-CG 4.24Å; F91-L228 HydrophobicContact CD1-CD1 3.6Å; F91-L228 HydrophobicContact CD1-CD2 4.14Å; F91-L228 HydrophobicContact CD1-CG 4.45Å; F91-L228 HydrophobicContact CE1-CD1 4.32Å; F91-L228 HydrophobicContact CG-CD1 3.98Å; F91-L228 WeakPolarHBondContact O-CD2 3.35Å; F91-I233 HydrophobicContact CB-CD1 4.38Å; F91-I233 HydrophobicContact CD1-CD1 4.1Å; F91-I233 HydrophobicContact CD2-CD1 3.66Å; F91-I233 HydrophobicContact CE1-CD1 4.27Å; F91-I233 HydrophobicContact CE2-CD1 3.85Å; F91-I233 HydrophobicContact CG-CD1 3.78Å; F91-I233 HydrophobicContact CZ-CD1 4.15Å; F91-F260 HydrophobicContact CE2-CD1 4.47Å; F91-F260 HydrophobicContact CE2-CD2 4.29Å; F91-F260 HydrophobicContact CE2-CG 4.23Å; F91-L262 HydrophobicContact CE1-CD2 4.48Å; F91-L262 HydrophobicContact CZ-CD1 4.34Å; F91-L262 HydrophobicContact CZ-CD2 4.07Å
92G83.6Confident92Very high19 Ų1933.2 Ų33.220%0.19618%0.183CC..EExtended strand (participates in β ladder)trans-81.4-173.7178.600000112R102 L228G92-R102 VanDerWaalsContact CA-O 3.28Å; G92-R102 WeakPolarHBondContact CA-O 3.5Å; G92-R102 PolarHBondContact N-O 3.24Å; G92-L228 WeakPolarHBondContact O-CD2 3.42Å
93S80Confident91.8Very high84 Ų8433.2 Ų33.259%0.58718%0.183SC*.EExtended strand (participates in β ladder)trans-65.8140.6172.9530000110.8R102S93-R102 PolarHBondContact O-N 2.82Å
94I90.4Very high91.7Very high5 Ų532.8 Ų32.83%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-88.7130.9167-65.6144.7000105.9F91 L185 F231 L262F91-I94 HydrophobicContact CE1-CD1 3.88Å; F91-I94 HydrophobicContact CE1-CG1 3.81Å; I94-L185 HydrophobicContact CG2-CD1 4.21Å; I94-F231 HydrophobicContact CB-CD2 4.26Å; I94-F231 HydrophobicContact CB-CE2 3.84Å; I94-F231 HydrophobicContact CD1-CB 4.08Å; I94-F231 HydrophobicContact CD1-CD1 4.23Å; I94-F231 HydrophobicContact CD1-CD2 3.24Å; I94-F231 HydrophobicContact CD1-CE2 3.58Å; I94-F231 HydrophobicContact CD1-CG 3.59Å; I94-F231 HydrophobicContact CD1-CZ 4.19Å; I94-F231 HydrophobicContact CG1-CD2 4.34Å; I94-F231 HydrophobicContact CG1-CE2 4.33Å; I94-F231 HydrophobicContact CG2-CE2 4.02Å; I94-F231 HydrophobicContact CG2-CZ 4.21Å; I94-L262 HydrophobicContact CD1-CD1 3.74Å; I94-L262 HydrophobicContact CG1-CD1 4.39Å
95Q90.8Very high91.6Very high78 Ų7832.8 Ų32.836%0.36418%0.179SC..EExtended strand (participates in β ladder)trans-110.7109.4-178-170.667.347.900108.9T97 T98 M99 D100Q95-T97 WeakPolarHBondContact CG-OG1 3.4Å; Q95-T97 PolarHBondContact NE2-OG1 3.18Å; Q95-T98 VanDerWaalsContact CB-OG1 3.26Å; Q95-T98 WeakPolarHBondContact CB-OG1 3.4Å; Q95-T98 HydrophobicContact CG-CG2 4.32Å; Q95-T98 WeakPolarHBondContact CG-OG1 3.45Å; Q95-M99 WeakPolarHBondContact O-CA 3.22Å; Q95-M99 PolarHBondContact O-N 3.24Å; Q95-D100 PolarHBondContact N-O 3.26Å; Q95-D100 PolarHBondContact O-N 2.61Å
96E90.1Very high91.5Very high14 Ų1435.3 Ų35.37%0.06519%0.19CC..THydrogen-bonded Turntrans-69.6-35.9-177.8-62.185.9171.300112T98 M99 L185 R264 P321E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 3.02Å; E96-M99 PolarHBondContact O-N 3.16Å; E96-L185 HydrophobicContact CB-CD1 4.31Å; E96-L185 HydrophobicContact CG-CD1 4.02Å; E96-R264 IonicContact OE1-CZ 2.79Å; E96-R264 IonicContact OE1-NH1 2.66Å; E96-R264 PolarHBondContact OE1-NH1 3.4Å; E96-R264 IonicContact OE1-NH2 3.39Å; E96-P321 HydrophobicContact CB-CG 4.17Å; E96-P321 WeakPolarHBondContact O-CB 3.33Å; E96-P321 VanDerWaalsContact O-CG 3.26Å; E96-P321 WeakPolarHBondContact O-CG 3.3Å
97T89.5Confident91.6Very high67 Ų6735.4 Ų35.441%0.41119%0.191SC..THydrogen-bonded Turntrans-63.9-37.9-178.154.30000112.9Q95Q95-T97 WeakPolarHBondContact CG-OG1 3.4Å; Q95-T97 PolarHBondContact NE2-OG1 3.18Å
98T91.8Very high91.7Very high67 Ų6737 Ų3741%0.41120%0.195SC..THydrogen-bonded Turntrans-96.6-8.9178.451.20000113Q95 E96 D100 K149Q95-T98 VanDerWaalsContact CB-OG1 3.26Å; Q95-T98 WeakPolarHBondContact CB-OG1 3.4Å; Q95-T98 HydrophobicContact CG-CG2 4.32Å; Q95-T98 WeakPolarHBondContact CG-OG1 3.45Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 3.02Å; T98-D100 VanDerWaalsContact CB-OD2 3.26Å; T98-D100 WeakPolarHBondContact CB-OD2 3.4Å; T98-D100 PolarHBondContact OG1-OD1 3.36Å; T98-D100 PolarHBondContact OG1-OD2 2.94Å; T98-D100 VanDerWaalsContact OG1-OD2 3.12Å; T98-K149 PolarHBondContact O-NZ 3.2Å
99M92.7Very high91.8Very high57 Ų5737.2 Ų37.228%0.28120%0.197SC..THydrogen-bonded Turntrans54.949.8-175.1-60.5-176.2172.600112.2Q95 E96 C183 V323Q95-M99 WeakPolarHBondContact O-CA 3.22Å; Q95-M99 PolarHBondContact O-N 3.24Å; E96-M99 PolarHBondContact O-N 3.16Å; M99-C183 CarbonylContact C-O 3.58Å; M99-C183 WeakPolarHBondContact CB-O 3.31Å; M99-C183 CarbonylContact O-C 3.56Å; M99-C183 PolarHBondContact O-N 3.32Å; M99-C183 VanDerWaalsContact O-O 3.07Å; M99-V323 HydrophobicContact CE-CG1 4.15Å
100D94.9Very high92.1Very high24 Ų2438.4 Ų38.413%0.12820%0.2CC..EExtended strand (participates in β ladder)trans-140164.9174.150.546.4000112.5Q95 T98 K149 T180 L181Q95-D100 PolarHBondContact N-O 3.26Å; Q95-D100 PolarHBondContact O-N 2.61Å; T98-D100 VanDerWaalsContact CB-OD2 3.26Å; T98-D100 WeakPolarHBondContact CB-OD2 3.4Å; T98-D100 PolarHBondContact OG1-OD1 3.36Å; T98-D100 PolarHBondContact OG1-OD2 2.94Å; T98-D100 VanDerWaalsContact OG1-OD2 3.12Å; D100-K149 HydrophobicContact CB-CD 4.06Å; D100-K149 WeakPolarHBondContact OD2-CD 3.2Å; D100-K149 IonicContact OD2-NZ 2.87Å; D100-K149 PolarHBondContact OD2-NZ 3.27Å; D100-T180 HydrophobicContact CB-CG2 3.87Å; D100-L181 VanDerWaalsContact CA-O 3.26Å; D100-L181 WeakPolarHBondContact CA-O 3.36Å; D100-L181 WeakPolarHBondContact CB-O 3.49Å
101Y94.3Very high92.5Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-136146.5174.869.2-80000109.5F91 V103 T180 L181 C183 C197 K198 F260F91-Y101 AromaticContact CE1-CD2 3.85Å; F91-Y101 HydrophobicContact CE1-CD2 3.85Å; F91-Y101 HydrophobicContact CE1-CG 4.36Å; F91-Y101 HydrophobicContact CE2-CD2 4.06Å; F91-Y101 HydrophobicContact CE2-CE2 4.2Å; F91-Y101 AromaticContact CZ-CD2 3.35Å; F91-Y101 HydrophobicContact CZ-CD2 3.35Å; F91-Y101 AromaticContact CZ-CE2 3.86Å; F91-Y101 HydrophobicContact CZ-CE2 3.86Å; F91-Y101 HydrophobicContact CZ-CG 4.1Å; Y101-V103 HydrophobicContact CE2-CB 4.46Å; Y101-V103 HydrophobicContact CE2-CG1 4.43Å; Y101-T180 WeakPolarHBondContact O-CA 3.5Å; Y101-L181 HydrophobicContact CD1-CB 4.17Å; Y101-L181 WeakPolarHBondContact CD1-O 3.39Å; Y101-L181 HydrophobicContact CE1-CB 3.56Å; Y101-L181 HydrophobicContact CE1-CD1 4.46Å; Y101-L181 HydrophobicContact CE2-CB 4.21Å; Y101-L181 HydrophobicContact CE2-CD1 3.93Å; Y101-L181 PolarHBondContact N-O 2.72Å; Y101-L181 PolarHBondContact O-N 3.45Å; Y101-L181 VanDerWaalsContact OH-CD1 3.25Å; Y101-L181 WeakPolarHBondContact OH-CD1 3.48Å; Y101-C183 HydrophobicContact CD1-CB 3.55Å; Y101-C183 HydrophobicContact CE1-CB 3.78Å; Y101-C197 HydrophobicContact CD1-CB 4.02Å; Y101-C197 HydrophobicContact CE1-CB 3.68Å; Y101-K198 VanDerWaalsContact OH-C 3.29Å; Y101-K198 PolarHBondContact OH-O 2.92Å; Y101-F260 HydrophobicContact CE2-CD2 4.29Å; Y101-F260 HydrophobicContact CE2-CE2 4.34Å
102R94.1Very high92.8Very high105 Ų10539.1 Ų39.140%0.39620%0.201SC..EExtended strand (participates in β ladder)trans-101.2139.1176.6-172.3174178.9140.7-0.6110.3G92 S93 S178 I179G92-R102 VanDerWaalsContact CA-O 3.28Å; G92-R102 WeakPolarHBondContact CA-O 3.5Å; G92-R102 PolarHBondContact N-O 3.24Å; S93-R102 PolarHBondContact O-N 2.82Å; R102-S178 PolarHBondContact NH2-OG 3.42Å; R102-I179 CarbonylContact C-O 3.56Å; R102-I179 WeakPolarHBondContact CA-O 3.15Å
103V93.7Very high93.4Very high0 Ų038.2 Ų38.20%019%0.192CC..EExtended strand (participates in β ladder)trans-137.2140.6175.267.80000110.1I88 F91 Y101 I105 I179 L181I88-V103 HydrophobicContact CG2-CG2 3.92Å; F91-V103 HydrophobicContact CD2-CG2 4.24Å; Y101-V103 HydrophobicContact CE2-CB 4.46Å; Y101-V103 HydrophobicContact CE2-CG1 4.43Å; V103-I105 HydrophobicContact CB-CG2 4.45Å; V103-I105 HydrophobicContact CG1-CG2 4.11Å; V103-I105 HydrophobicContact CG2-CG2 3.63Å; V103-I179 HydrophobicContact CG1-CB 4.44Å; V103-I179 PolarHBondContact N-O 2.89Å; V103-I179 PolarHBondContact O-N 2.74Å; V103-L181 HydrophobicContact CG1-CD1 4.1Å
104N93.7Very high93.9Very high28 Ų2837.2 Ų37.215%0.1518%0.183CC..EExtended strand (participates in β ladder)trans-108.8118.6171.6-60-31.8000108.4N89 S90 L177 S178N89-N104 PolarHBondContact N-O 3Å; S90-N104 PolarHBondContact N-O 3.33Å; S90-N104 PolarHBondContact O-N 3.02Å; S90-N104 WeakPolarHBondContact OG-CB 3.35Å; S90-N104 PolarHBondContact OG-ND2 2.86Å; N104-L177 CarbonylContact C-O 3.59Å; N104-L177 WeakPolarHBondContact CA-O 3.44Å; N104-S178 WeakPolarHBondContact OD1-CA 3.4Å; N104-S178 WeakPolarHBondContact OD1-CB 3.31Å; N104-S178 PolarHBondContact OD1-OG 3.36Å
105I95.3Very high94Very high0 Ų040.9 Ų40.90%020%0.197CC..EExtended strand (participates in β ladder)trans-126.6154.9-174.464.9174.5000111.3I86 F87 I88 V103 L107 F145 R176 L177 I179 M199I86-I105 HydrophobicContact CG2-CB 4.14Å; I86-I105 HydrophobicContact CG2-CD1 4.38Å; I86-I105 HydrophobicContact CG2-CG2 4.1Å; F87-I105 CarbonylContact O-C 3.56Å; F87-I105 VanDerWaalsContact O-CA 3.26Å; F87-I105 WeakPolarHBondContact O-CA 3.43Å; I88-I105 HydrophobicContact CG1-CG2 4.19Å; V103-I105 HydrophobicContact CB-CG2 4.45Å; V103-I105 HydrophobicContact CG1-CG2 4.11Å; V103-I105 HydrophobicContact CG2-CG2 3.63Å; I105-L107 HydrophobicContact CD1-CB 4.37Å; I105-F145 HydrophobicContact CD1-CE1 4.2Å; I105-F145 HydrophobicContact CD1-CZ 3.92Å; I105-R176 WeakPolarHBondContact O-CA 3.36Å; I105-L177 HydrophobicContact CG1-CB 4.11Å; I105-L177 PolarHBondContact N-O 3.36Å; I105-L177 PolarHBondContact O-N 3.5Å; I105-I179 HydrophobicContact CD1-CD1 3.79Å; I105-I179 HydrophobicContact CG1-CD1 4.23Å; I105-M199 HydrophobicContact CD1-SD 4.3Å
106F95.8Very high94Very high54 Ų5437.2 Ų37.224%0.23718%0.18CC..EExtended strand (participates in β ladder)trans-98.2114153.5-60.5-83.2000108F87 N89 M175 R176F87-F106 HydrophobicContact CB-CB 4.25Å; F87-F106 HydrophobicContact CB-CD2 4.47Å; F87-F106 AromaticContact CD1-CD2 3.73Å; F87-F106 HydrophobicContact CD1-CD2 3.73Å; F87-F106 HydrophobicContact CD1-CE2 4.3Å; F87-F106 HydrophobicContact CE1-CD2 4.44Å; F87-F106 HydrophobicContact CG-CD2 4.45Å; F87-F106 PolarHBondContact N-O 2.99Å; F87-F106 PolarHBondContact O-N 3.37Å; N89-F106 HydrophobicContact CB-CD2 4.27Å; N89-F106 HydrophobicContact CB-CE2 3.94Å; F106-M175 CarbonylContact C-O 3.53Å; F106-M175 VanDerWaalsContact CA-O 3.31Å; F106-M175 WeakPolarHBondContact CA-O 3.48Å; F106-R176 HydrophobicContact CD1-CB 3.72Å; F106-R176 HydrophobicContact CD1-CG 3.93Å; F106-R176 HydrophobicContact CE1-CB 3.62Å; F106-R176 HydrophobicContact CE1-CG 3.59Å; F106-R176 HydrophobicContact CZ-CG 4.1Å
107L96.6Very high94Very high3 Ų342.5 Ų42.52%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-91118.4173.417665.9000108.3V84 I86 I105 Q109 L143 F145 S174 M175 L177 L201V84-L107 HydrophobicContact CG1-CD1 3.89Å; I86-L107 HydrophobicContact CD1-CD1 4.47Å; I86-L107 HydrophobicContact CG1-CD1 3.99Å; I105-L107 HydrophobicContact CD1-CB 4.37Å; L107-Q109 HydrophobicContact CD1-CG 4.49Å; L107-Q109 HydrophobicContact CG-CG 4.24Å; L107-L143 HydrophobicContact CD2-CD2 4Å; L107-F145 HydrophobicContact CD2-CE2 4.48Å; L107-F145 HydrophobicContact CD2-CZ 4.28Å; L107-S174 WeakPolarHBondContact O-CA 3.48Å; L107-M175 HydrophobicContact CB-CG 4.08Å; L107-M175 HydrophobicContact CD2-SD 4.35Å; L107-M175 PolarHBondContact N-O 3.08Å; L107-M175 PolarHBondContact O-N 3.15Å; L107-L177 HydrophobicContact CB-CD1 4.03Å; L107-L177 HydrophobicContact CD2-CD1 3.99Å; L107-L201 HydrophobicContact CD1-CD2 3.9Å
108R96.8Very high93.8Very high78 Ų7839.7 Ų39.729%0.29419%0.185SC..EExtended strand (participates in β ladder)trans-107.9131.8175.3-53.7-168.6-176.1127.3-6.8109.8V84 N85 L172 V173V84-R108 WeakPolarHBondContact CA-O 3.34Å; N85-R108 HydrophobicContact CB-CB 4.05Å; N85-R108 PolarHBondContact N-O 2.9Å; N85-R108 WeakPolarHBondContact O-CA 3.46Å; N85-R108 WeakPolarHBondContact O-CB 3.32Å; N85-R108 PolarHBondContact O-N 2.82Å; N85-R108 WeakPolarHBondContact OD1-CD 3.46Å; N85-R108 PolarHBondContact OD1-NH1 2.89Å; R108-L172 HydrophobicContact CB-CD1 4.35Å; R108-V173 CarbonylContact C-O 3.55Å; R108-V173 VanDerWaalsContact CA-O 3.23Å; R108-V173 WeakPolarHBondContact CA-O 3.44Å
109Q96.9Very high93.3Very high6 Ų638.5 Ų38.53%0.02818%0.178CC..EExtended strand (participates in β ladder)trans-130.2127.8178.7-65.3179.378.100108.2V82 V83 L107 W111 L172 V173V82-Q109 HydrophobicContact CG1-CB 4.22Å; V83-Q109 CarbonylContact O-C 3.56Å; V83-Q109 WeakPolarHBondContact O-CA 3.21Å; L107-Q109 HydrophobicContact CD1-CG 4.49Å; L107-Q109 HydrophobicContact CG-CG 4.24Å; Q109-W111 HydrophobicContact CB-CE3 4.4Å; Q109-W111 HydrophobicContact CB-CZ3 4.27Å; Q109-L172 WeakPolarHBondContact O-CA 3.18Å; Q109-V173 PolarHBondContact N-O 3.35Å; Q109-V173 PolarHBondContact O-N 3.27Å
110K96.4Very high92.6Very high71 Ų7140.1 Ų40.131%0.30920%0.195SC..EExtended strand (participates in β ladder)trans-123.8126.3176.2-171.8-174.8177.8-164.80109.8V82 V83 D170 V171 L172V82-K110 CarbonylContact C-O 3.52Å; V83-K110 HydrophobicContact CB-CB 4.23Å; V83-K110 PolarHBondContact N-O 3.35Å; V83-K110 PolarHBondContact O-N 3.36Å; K110-D170 VanDerWaalsContact CE-CG 3.48Å; K110-D170 WeakPolarHBondContact CE-OD2 3.41Å; K110-D170 IonicContact NZ-OD2 2.83Å; K110-D170 PolarHBondContact NZ-OD2 3.24Å; K110-V171 VanDerWaalsContact CA-O 3.24Å; K110-V171 WeakPolarHBondContact CA-O 3.23Å; K110-L172 HydrophobicContact CB-CD1 4.12Å; K110-L172 HydrophobicContact CG-CB 4.46Å
111W96.6Very high91.7Very high4 Ų444.7 Ų44.72%0.01522%0.219CC..EExtended strand (participates in β ladder)trans-140.5160.917669.293.5000110.3V80 V82 Q109 W139 P141 D170 V171 V173V80-W111 HydrophobicContact CG1-CB 4.05Å; V82-W111 HydrophobicContact CG2-CB 4.13Å; Q109-W111 HydrophobicContact CB-CE3 4.4Å; Q109-W111 HydrophobicContact CB-CZ3 4.27Å; W111-W139 AromaticContact CD1-CZ3 3.83Å; W111-W139 HydrophobicContact CG-CZ3 4.27Å; W111-W139 WeakPolarHBondContact CZ2-O 3.4Å; W111-W139 AromaticContact NE1-CE3 3.79Å; W111-W139 AromaticContact NE1-CZ3 3.84Å; W111-P141 HydrophobicContact CE3-CG 4.27Å; W111-P141 HydrophobicContact CZ3-CG 4.36Å; W111-D170 CarbonylContact O-C 3.51Å; W111-D170 WeakPolarHBondContact O-CA 3.32Å; W111-V171 HydrophobicContact CD2-CB 4.18Å; W111-V171 HydrophobicContact CH2-CB 4.24Å; W111-V171 HydrophobicContact CH2-CG1 3.69Å; W111-V171 HydrophobicContact CZ2-CB 3.81Å; W111-V171 HydrophobicContact CZ2-CG1 3.57Å; W111-V171 HydrophobicContact CZ2-CG2 4.44Å; W111-V171 HydrophobicContact CZ3-CG1 4.28Å; W111-V171 PolarHBondContact N-O 3.27Å; W111-V171 PolarHBondContact O-N 3.18Å; W111-V173 HydrophobicContact CH2-CB 4.35Å; W111-V173 HydrophobicContact CH2-CG2 3.56Å; W111-V173 HydrophobicContact CZ3-CB 4.12Å; W111-V173 HydrophobicContact CZ3-CG2 3.8Å
112N95.6Very high90.7Very high58 Ų5845.7 Ų45.731%0.3122%0.224SC..EExtended strand (participates in β ladder)trans-96.5124.8176.2-171.4-94.2000110.7D168 D170N112-D168 PolarHBondContact ND2-O 3.34Å; N112-D170 WeakPolarHBondContact CB-OD1 3.47Å; N112-D170 PolarHBondContact ND2-OD1 3.43Å
113D94.9Very high89.5Confident0 Ų052.5 Ų52.50%025%0.25CC..  trans-121.6101.8169-168.9-17.2000109.6Y67 P73 R115 L116 G169 V171Y67-D113 VanDerWaalsContact CE2-OD2 3.29Å; Y67-D113 WeakPolarHBondContact CE2-OD2 3.37Å; Y67-D113 PolarHBondContact OH-OD2 3.1Å; P73-D113 HydrophobicContact CB-CB 4.43Å; P73-D113 HydrophobicContact CG-CB 4.03Å; D113-R115 PolarHBondContact O-N 3.27Å; D113-R115 VanDerWaalsContact OD1-CB 3.31Å; D113-R115 WeakPolarHBondContact OD1-CB 3.29Å; D113-R115 WeakPolarHBondContact OD1-CG 3.36Å; D113-R115 IonicContact OD1-CZ 3.52Å; D113-R115 PolarHBondContact OD1-N 3.25Å; D113-R115 VanDerWaalsContact OD1-N 3.11Å; D113-R115 IonicContact OD1-NE 2.98Å; D113-R115 PolarHBondContact OD1-NE 3.24Å; D113-R115 IonicContact OD1-NH2 3.43Å; D113-R115 IonicContact OD2-CZ 3.31Å; D113-R115 IonicContact OD2-NE 3.41Å; D113-R115 PolarHBondContact OD2-NE 3.04Å; D113-R115 IonicContact OD2-NH2 2.73Å; D113-R115 PolarHBondContact OD2-NH2 3.38Å; D113-L116 HydrophobicContact CB-CD1 4.04Å; D113-L116 HydrophobicContact CB-CG 4.3Å; D113-L116 PolarHBondContact O-N 3.05Å; D113-G169 PolarHBondContact N-O 3.41Å; D113-V171 HydrophobicContact CB-CG2 4.49Å
114P91.9Very high88.3Confident62 Ų6254.6 Ų54.640%0.40327%0.271SS..G310 helixtrans-57.1-23.1-179.1-27.335.2000114.3L116 K117P114-L116 PolarHBondContact O-N 3.11Å; P114-K117 WeakPolarHBondContact O-CB 3.46Å; P114-K117 PolarHBondContact O-N 3.41Å
115R91.8Very high87.2Confident83 Ų8357.3 Ų57.331%0.31329%0.292SS..G310 helixtrans-72.5-18.7179.7-56.7171.4-67.4179.61.9112.8Y67 D68 I71 D113Y67-R115 HydrophobicContact CD2-CB 3.95Å; Y67-R115 HydrophobicContact CE2-CB 4Å; Y67-R115 PolarHBondContact OH-NH2 3.17Å; D68-R115 PolarHBondContact O-NH1 2.95Å; D68-R115 VanDerWaalsContact O-NH1 3.13Å; I71-R115 PolarHBondContact O-NH1 3.06Å; I71-R115 VanDerWaalsContact O-NH1 3.14Å; I71-R115 PolarHBondContact O-NH2 3.49Å; D113-R115 PolarHBondContact O-N 3.27Å; D113-R115 VanDerWaalsContact OD1-CB 3.31Å; D113-R115 WeakPolarHBondContact OD1-CB 3.29Å; D113-R115 WeakPolarHBondContact OD1-CG 3.36Å; D113-R115 IonicContact OD1-CZ 3.52Å; D113-R115 PolarHBondContact OD1-N 3.25Å; D113-R115 VanDerWaalsContact OD1-N 3.11Å; D113-R115 IonicContact OD1-NE 2.98Å; D113-R115 PolarHBondContact OD1-NE 3.24Å; D113-R115 IonicContact OD1-NH2 3.43Å; D113-R115 IonicContact OD2-CZ 3.31Å; D113-R115 IonicContact OD2-NE 3.41Å; D113-R115 PolarHBondContact OD2-NE 3.04Å; D113-R115 IonicContact OD2-NH2 2.73Å; D113-R115 PolarHBondContact OD2-NH2 3.38Å
116L90.6Very high86.5Confident1 Ų163 Ų631%0.00532%0.323CS..G310 helixtrans-102.411.6-178.9-61.5173.9000112.6L64 Y67 D113 P114 L118 L138 I165 V171L64-L116 HydrophobicContact CD2-CD2 3.99Å; Y67-L116 HydrophobicContact CD2-CD2 3.87Å; Y67-L116 HydrophobicContact CD2-CG 4.37Å; Y67-L116 HydrophobicContact CE2-CD1 4.2Å; Y67-L116 HydrophobicContact CE2-CD2 3.78Å; Y67-L116 HydrophobicContact CE2-CG 3.85Å; D113-L116 HydrophobicContact CB-CD1 4.04Å; D113-L116 HydrophobicContact CB-CG 4.3Å; D113-L116 PolarHBondContact O-N 3.05Å; P114-L116 PolarHBondContact O-N 3.11Å; L116-L118 PolarHBondContact O-N 3.2Å; L116-L138 HydrophobicContact CD1-CD1 4.41Å; L116-L138 HydrophobicContact CD1-CD2 3.8Å; L116-L138 HydrophobicContact CD2-CD2 3.9Å; L116-I165 HydrophobicContact CB-CG2 4.24Å; L116-I165 WeakPolarHBondContact O-CG2 3.36Å; L116-V171 HydrophobicContact CD1-CG2 3.65Å
117K89.4Confident86Confident124 Ų12461.4 Ų61.454%0.53932%0.319SS..PPolyproline II helixtrans-59.5123.7177.8-168.5175.4-177.1168.60110.6L63 P114 R167L63-K117 WeakPolarHBondContact CD2-O 3.28Å; P114-K117 WeakPolarHBondContact O-CB 3.46Å; P114-K117 PolarHBondContact O-N 3.41Å; K117-R167 VanDerWaalsContact CG-O 3.28Å; K117-R167 WeakPolarHBondContact CG-O 3.22Å
118L86Confident85.5Confident8 Ų862.1 Ų62.14%0.04232%0.323CS..PPolyproline II helixtrans-70.8139.7-177.3-64.2172.8000110.8I59 L63 L116 F122 L128 I165 R167I59-L118 HydrophobicContact CG2-CD2 4.27Å; L63-L118 HydrophobicContact CD1-CD2 3.85Å; L116-L118 PolarHBondContact O-N 3.2Å; L118-F122 HydrophobicContact CD1-CD1 4.02Å; L118-F122 HydrophobicContact CD1-CE1 4.05Å; L118-L128 HydrophobicContact CD1-CB 4.09Å; L118-L128 HydrophobicContact CD2-CD2 4.21Å; L118-I165 HydrophobicContact CD2-CG2 4.38Å; L118-I165 HydrophobicContact CG-CG2 4.35Å; L118-R167 HydrophobicContact CB-CG 4.49Å; L118-R167 PolarHBondContact N-O 3.37Å
119P82.4Confident85.1Confident43 Ų4363 Ų6328%0.27934%0.337SS..PPolyproline II helixtrans-59.1151.5175.7-23.333.1000112.7I59 D121 F122I59-P119 HydrophobicContact CG2-CG 4.3Å; P119-D121 PolarHBondContact O-N 3.06Å; P119-D121 VanDerWaalsContact O-N 3.08Å; P119-F122 WeakPolarHBondContact O-CB 3.47Å; P119-F122 PolarHBondContact O-N 3.17Å
120S77.3Confident84.6Confident91 Ų9163.3 Ų63.364%0.63634%0.34SS*.THydrogen-bonded Turntrans-54.5-27.9173.442.10000113.4F122 R167S120-F122 PolarHBondContact O-N 3.13Å; S120-R167 PolarHBondContact O-NH2 3.35Å; S120-R167 VanDerWaalsContact O-NH2 3.12Å
121D75.1Confident84.1Confident119 Ų11963.7 Ų63.764%0.63635%0.345SS*.THydrogen-bonded Turntrans-77.6-9.1-172.1-40.1-19000112.2P119 R123P119-D121 PolarHBondContact O-N 3.06Å; P119-D121 VanDerWaalsContact O-N 3.08Å; D121-R123 PolarHBondContact O-N 3.34Å; D121-R123 VanDerWaalsContact O-N 3.13Å
122F73.6Confident83.5Confident21 Ų2164.3 Ų64.39%0.09235%0.35CS..  trans-67.7108.6174.4-176.6-122.4000110.1T56 I59 L118 P119 S120 G124 S125 L128T56-F122 HydrophobicContact CG2-CE2 4.2Å; I59-F122 HydrophobicContact CD1-CB 4.42Å; I59-F122 HydrophobicContact CD1-CD2 3.55Å; I59-F122 HydrophobicContact CD1-CE2 4.29Å; I59-F122 HydrophobicContact CD1-CG 4.41Å; L118-F122 HydrophobicContact CD1-CD1 4.02Å; L118-F122 HydrophobicContact CD1-CE1 4.05Å; P119-F122 WeakPolarHBondContact O-CB 3.47Å; P119-F122 PolarHBondContact O-N 3.17Å; S120-F122 PolarHBondContact O-N 3.13Å; F122-G124 PolarHBondContact O-N 3.27Å; F122-S125 WeakPolarHBondContact CE1-O 3.47Å; F122-L128 HydrophobicContact CE2-CD1 4.5Å; F122-L128 HydrophobicContact CZ-CB 4.37Å; F122-L128 HydrophobicContact CZ-CD1 4.22Å
123R68.8Low83Confident249 Ų24963.1 Ų63.194%0.9435%0.345SS*.  trans-84.18.7177.6-62.2-171.9177.8-168.7-1113.8D121D121-R123 PolarHBondContact O-N 3.34Å; D121-R123 VanDerWaalsContact O-N 3.13Å
124G68.1Low82.5Confident43 Ų4364.3 Ų64.344%0.44335%0.35SS..SBendtrans-83.9-175.6-179.400000113.5F122F122-G124 PolarHBondContact O-N 3.27Å
125S71Confident82.3Confident86 Ų8662.7 Ų62.760%0.60134%0.336SS*.  trans-56.1165.9169.343.10000112.5F122 A127F122-S125 WeakPolarHBondContact CE1-O 3.47Å; S125-A127 PolarHBondContact O-N 3.25Å; S125-A127 PolarHBondContact OG-O 3.5Å
126D80.8Confident82.1Confident119 Ų11964.1 Ų64.164%0.63635%0.345SS*.SBendtrans-61.6-13.8179.9-63.4-40.3000114.7F166 R167D126-F166 WeakPolarHBondContact O-CA 3.42Å; D126-R167 PolarHBondContact O-N 2.9Å
127A85.8Confident82.1Confident20 Ų2064.6 Ų64.617%0.16535%0.348CS..EExtended strand (participates in β ladder)trans-127.7144.117500000111.9S125 I165 F166S125-A127 PolarHBondContact O-N 3.25Å; S125-A127 PolarHBondContact OG-O 3.5Å; A127-I165 WeakPolarHBondContact CA-O 3.31Å; A127-F166 HydrophobicContact CB-CD1 3.76Å; A127-F166 HydrophobicContact CB-CE1 3.82Å; A127-F166 HydrophobicContact CB-CG 4.37Å; A127-F166 HydrophobicContact CB-CZ 4.48Å
128L86.9Confident82.2Confident18 Ų1858.8 Ų58.89%0.09432%0.323CS..EExtended strand (participates in β ladder)trans-99.5119.3169.6177.163.6000109.7T56 L118 F122 V130 F164 I165T56-L128 HydrophobicContact CG2-CD1 3.37Å; T56-L128 HydrophobicContact CG2-CD2 4.44Å; L118-L128 HydrophobicContact CD1-CB 4.09Å; L118-L128 HydrophobicContact CD2-CD2 4.21Å; F122-L128 HydrophobicContact CE2-CD1 4.5Å; F122-L128 HydrophobicContact CZ-CB 4.37Å; F122-L128 HydrophobicContact CZ-CD1 4.22Å; L128-V130 HydrophobicContact CD2-CG2 4.09Å; L128-V130 HydrophobicContact CG-CG2 3.94Å; L128-F164 WeakPolarHBondContact O-CA 3.18Å; L128-I165 PolarHBondContact N-O 2.84Å; L128-I165 PolarHBondContact O-N 3.17Å
129T87.6Confident82.6Confident96 Ų9658.7 Ų58.759%0.58932%0.322SS*.EExtended strand (participates in β ladder)trans-78.2123.9169-43.30000109.8F164T129-F164 HydrophobicContact CG2-CD1 4.09Å; T129-F164 HydrophobicContact CG2-CE1 3.63Å; T129-F164 VanDerWaalsContact OG1-CE1 3.26Å; T129-F164 WeakPolarHBondContact OG1-CE1 3.45Å
130V86.1Confident83.1Confident14 Ų1461.2 Ų61.29%0.08533%0.329CS..EExtended strand (participates in β ladder)trans-115.3146.9-177.4-172.90000109.9L60 L128 M134 L163 I165L60-V130 HydrophobicContact CD2-CG1 4.07Å; L128-V130 HydrophobicContact CD2-CG2 4.09Å; L128-V130 HydrophobicContact CG-CG2 3.94Å; V130-M134 HydrophobicContact CG1-CB 3.46Å; V130-M134 VanDerWaalsContact CG1-CB 3.46Å; V130-M134 HydrophobicContact CG1-CG 3.75Å; V130-L163 HydrophobicContact CB-CB 4.46Å; V130-L163 HydrophobicContact CB-CD2 3.83Å; V130-L163 HydrophobicContact CB-CG 4.04Å; V130-L163 HydrophobicContact CG1-CD2 3.98Å; V130-L163 PolarHBondContact N-O 2.89Å; V130-I165 HydrophobicContact CG2-CD1 3.93Å; V130-I165 HydrophobicContact CG2-CG1 4.15Å
131D86.4Confident84Confident78 Ų7857.2 Ų57.242%0.41730%0.301SS..  trans-60.2141.4175.7-176-88.5000111.7T133 M134D131-T133 PolarHBondContact O-N 3.1Å; D131-T133 VanDerWaalsContact O-N 3.09Å; D131-T133 VanDerWaalsContact OD1-CB 3.22Å; D131-T133 WeakPolarHBondContact OD1-CB 3.17Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.39Å; D131-T133 PolarHBondContact OD1-N 3.16Å; D131-T133 PolarHBondContact OD1-OG1 3.18Å; D131-M134 WeakPolarHBondContact O-CB 3.16Å; D131-M134 PolarHBondContact O-N 3.14Å
132P84.6Confident84.9Confident18 Ų1853.5 Ų53.512%0.11728%0.281CS..G310 helixtrans-53.9-31.2-179.3-26.333.1000114.3M134 Y135 E159 I161P132-M134 PolarHBondContact O-N 3.33Å; P132-Y135 WeakPolarHBondContact O-CB 3.23Å; P132-Y135 PolarHBondContact O-N 3.47Å; P132-E159 HydrophobicContact CB-CB 4.36Å; P132-I161 HydrophobicContact CB-CB 4.25Å; P132-I161 WeakPolarHBondContact CG-O 3.19Å
133T83.8Confident85.9Confident33 Ų3353.7 Ų53.720%0.20228%0.283CS..G310 helixtrans-61.7-27.3-17959.90000112.5Y37 D131 Y135 K136Y37-T133 HydrophobicContact CD1-CG2 4.17Å; Y37-T133 HydrophobicContact CE1-CG2 3.83Å; Y37-T133 HydrophobicContact CE2-CG2 4.32Å; D131-T133 PolarHBondContact O-N 3.1Å; D131-T133 VanDerWaalsContact O-N 3.09Å; D131-T133 VanDerWaalsContact OD1-CB 3.22Å; D131-T133 WeakPolarHBondContact OD1-CB 3.17Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.39Å; D131-T133 PolarHBondContact OD1-N 3.16Å; D131-T133 PolarHBondContact OD1-OG1 3.18Å; T133-Y135 VanDerWaalsContact C-N 3.25Å; T133-Y135 PolarHBondContact O-N 3.02Å; T133-K136 PolarHBondContact O-N 2.92Å
134M85Confident87.2Confident25 Ų2544.9 Ų44.912%0.12325%0.251CS..G310 helixtrans-70.8-20.6178.7-16454.669.300113P40 L60 L64 V130 D131 P132 K136 C137 L138 L163P40-M134 HydrophobicContact CG-CE 3.86Å; P40-M134 HydrophobicContact CG-SD 4.43Å; L60-M134 HydrophobicContact CD2-CE 3.74Å; L60-M134 HydrophobicContact CD2-CG 4.41Å; L60-M134 HydrophobicContact CG-CE 4.39Å; L64-M134 HydrophobicContact CD1-CE 4Å; L64-M134 HydrophobicContact CD1-CG 4.12Å; L64-M134 HydrophobicContact CD1-SD 3.34Å; L64-M134 WeakPolarHBondContact CD1-SD 3.5Å; V130-M134 HydrophobicContact CG1-CB 3.46Å; V130-M134 VanDerWaalsContact CG1-CB 3.46Å; V130-M134 HydrophobicContact CG1-CG 3.75Å; D131-M134 WeakPolarHBondContact O-CB 3.16Å; D131-M134 PolarHBondContact O-N 3.14Å; P132-M134 PolarHBondContact O-N 3.33Å; M134-K136 PolarHBondContact O-N 3.37Å; M134-K136 VanDerWaalsContact O-N 3.1Å; M134-C137 WeakPolarHBondContact O-CB 3.29Å; M134-C137 PolarHBondContact O-N 3.24Å; M134-C137 HydrophobicContact SD-CB 3.66Å; M134-L138 PolarHBondContact O-N 2.64Å; M134-L163 HydrophobicContact CB-CD2 4.3Å
135Y87.8Confident88.6Confident27 Ų2743.9 Ų43.911%0.10624%0.235CC..G310 helixtrans-57.5-27.3175.7-178.2-118.4000112.5P132 T133 C137 K140 I161 V173 M175P132-Y135 WeakPolarHBondContact O-CB 3.23Å; P132-Y135 PolarHBondContact O-N 3.47Å; T133-Y135 VanDerWaalsContact C-N 3.25Å; T133-Y135 PolarHBondContact O-N 3.02Å; Y135-C137 VanDerWaalsContact C-N 3.28Å; Y135-C137 PolarHBondContact O-N 3.49Å; Y135-K140 HydrophobicContact CE1-CD 3.89Å; Y135-K140 HydrophobicContact CE2-CB 3.99Å; Y135-K140 HydrophobicContact CE2-CD 4.23Å; Y135-K140 WeakPolarHBondContact OH-CD 3.11Å; Y135-I161 HydrophobicContact CD1-CD1 3.97Å; Y135-I161 HydrophobicContact CD1-CG2 4.44Å; Y135-I161 HydrophobicContact CE1-CD1 4.43Å; Y135-I161 HydrophobicContact CG-CG2 4.34Å; Y135-V173 HydrophobicContact CD2-CG1 4.27Å; Y135-V173 HydrophobicContact CD2-CG2 3.93Å; Y135-V173 HydrophobicContact CE2-CB 4.35Å; Y135-V173 HydrophobicContact CE2-CG1 3.86Å; Y135-V173 HydrophobicContact CE2-CG2 3.78Å; Y135-M175 HydrophobicContact CE1-CE 4.45Å; Y135-M175 WeakPolarHBondContact OH-CE 3.48Å
136K87.5Confident89.7Confident114 Ų11441.9 Ų41.950%0.49622%0.223SC..G310 helixtrans-71.9-21.5176.1-66.8167.8-177.7151.40113T133 M134 E159T133-K136 PolarHBondContact O-N 2.92Å; M134-K136 PolarHBondContact O-N 3.37Å; M134-K136 VanDerWaalsContact O-N 3.1Å; K136-E159 IonicContact NZ-OE1 2.73Å; K136-E159 PolarHBondContact NZ-OE1 2.95Å; K136-E159 IonicContact NZ-OE2 2.82Å; K136-E159 PolarHBondContact NZ-OE2 3.49Å; K136-E159 VanDerWaalsContact NZ-OE2 3.16Å
137C89.2Confident90.4Very high11 Ų1137.3 Ų37.37%0.07420%0.199CC..G310 helixtrans-97.9-5.4-177.2-60.60000113.8C39 P69 M134 Y135C39-C137 WeakPolarHBondContact CA-SG 3.14Å; C39-C137 HydrophobicContact CB-CB 3.79Å; C39-C137 WeakPolarHBondContact CB-SG 3.4Å; C39-C137 VanDerWaalsContact SG-CA 3.55Å; C39-C137 WeakPolarHBondContact SG-CB 3.27Å; C39-C137 CovalentContact SG-SG 2.04Å; C39-C137 PolarHBondContact SG-SG 3.4Å; P69-C137 WeakPolarHBondContact CB-O 3.21Å; M134-C137 WeakPolarHBondContact O-CB 3.29Å; M134-C137 PolarHBondContact O-N 3.24Å; M134-C137 HydrophobicContact SD-CB 3.66Å; Y135-C137 VanDerWaalsContact C-N 3.28Å; Y135-C137 PolarHBondContact O-N 3.49Å
138L91.8Very high90.9Very high2 Ų240.3 Ų40.31%0.0121%0.21CC..SBendtrans-98.5152.7177.1-63.9-179.9000111L64 Y67 L116 M134 L163L64-L138 HydrophobicContact CD2-CD2 3.66Å; Y67-L138 HydrophobicContact CE1-CD2 4.03Å; L116-L138 HydrophobicContact CD1-CD1 4.41Å; L116-L138 HydrophobicContact CD1-CD2 3.8Å; L116-L138 HydrophobicContact CD2-CD2 3.9Å; M134-L138 PolarHBondContact O-N 2.64Å; L138-L163 HydrophobicContact CD1-CD1 4.06Å; L138-L163 HydrophobicContact CD1-CD2 3.77Å
139W94.2Very high91.3Very high6 Ų644 Ų442%0.02323%0.225CC..  trans-64.3139.5162.417990.2000108.4Y67 P69 R72 P73 V80 W111 P141 Y206 L211Y67-W139 WeakPolarHBondContact OH-CB 3.1Å; Y67-W139 PolarHBondContact OH-N 2.73Å; P69-W139 WeakPolarHBondContact O-CB 3.21Å; P69-W139 VanDerWaalsContact O-CD1 3.31Å; R72-W139 VanDerWaalsContact CA-NE1 3.34Å; R72-W139 HydrophobicContact CB-CZ2 3.66Å; P73-W139 HydrophobicContact CG-CD2 4.21Å; P73-W139 HydrophobicContact CG-CE3 3.73Å; P73-W139 HydrophobicContact CG-CZ3 3.92Å; V80-W139 HydrophobicContact CB-CH2 4.46Å; V80-W139 HydrophobicContact CG1-CH2 4.18Å; V80-W139 HydrophobicContact CG1-CZ3 4.28Å; W111-W139 AromaticContact CD1-CZ3 3.83Å; W111-W139 HydrophobicContact CG-CZ3 4.27Å; W111-W139 WeakPolarHBondContact CZ2-O 3.4Å; W111-W139 AromaticContact NE1-CE3 3.79Å; W111-W139 AromaticContact NE1-CZ3 3.84Å; W139-P141 HydrophobicContact CH2-CB 4.3Å; W139-Y206 AromaticContact CZ2-CE2 3.89Å; W139-Y206 HydrophobicContact CZ2-CE2 3.89Å; W139-Y206 AromaticContact NE1-CZ 3.83Å; W139-Y206 PolarHBondContact NE1-OH 2.91Å; W139-L211 HydrophobicContact CH2-CD1 3.91Å; W139-L211 HydrophobicContact CZ2-CD1 4.18Å
140K93.7Very high91.6Very high95 Ų9541.9 Ų41.941%0.41321%0.214SC..  trans-134.6144.3178.459.8-174.5169.3-66.20109.6Y135Y135-K140 HydrophobicContact CE1-CD 3.89Å; Y135-K140 HydrophobicContact CE2-CB 3.99Å; Y135-K140 HydrophobicContact CE2-CD 4.23Å; Y135-K140 WeakPolarHBondContact OH-CD 3.11Å
141P95.6Very high92Very high8 Ų843.3 Ų43.35%0.05223%0.227CC..  trans-60.1145.4171.228.2-36.6000110.5V82 W111 W139 L143 L211 F213V82-P141 HydrophobicContact CG1-CB 4.31Å; V82-P141 HydrophobicContact CG1-CG 4.09Å; V82-P141 HydrophobicContact CG2-CB 3.96Å; V82-P141 HydrophobicContact CG2-CG 4.4Å; W111-P141 HydrophobicContact CE3-CG 4.27Å; W111-P141 HydrophobicContact CZ3-CG 4.36Å; W139-P141 HydrophobicContact CH2-CB 4.3Å; P141-L143 PolarHBondContact O-N 3.21Å; P141-L211 HydrophobicContact CB-CD1 3.96Å; P141-F213 HydrophobicContact CB-CE1 4.34Å
142D94.1Very high92.4Very high40 Ų4043.7 Ų43.721%0.21423%0.229CC..  trans-91.545.7-17763.5-8.4000111.9F144 S203 F204 G205 Y206D142-F144 PolarHBondContact O-N 2.72Å; D142-S203 PolarHBondContact OD1-OG 2.69Å; D142-S203 PolarHBondContact OD2-OG 3.1Å; D142-F204 HydrophobicContact CB-CB 4.39Å; D142-F204 PolarHBondContact O-N 3.43Å; D142-F204 PolarHBondContact OD2-N 3.45Å; D142-G205 VanDerWaalsContact OD2-CA 3.3Å; D142-G205 WeakPolarHBondContact OD2-CA 3.46Å; D142-G205 PolarHBondContact OD2-N 3.41Å; D142-Y206 HydrophobicContact CB-CD2 4.39Å; D142-Y206 HydrophobicContact CB-CE2 4.34Å; D142-Y206 WeakPolarHBondContact OD1-CD2 3.49Å; D142-Y206 WeakPolarHBondContact OD2-CD2 3.15Å; D142-Y206 PolarHBondContact OD2-N 3.37Å
143L95.8Very high92.7Very high26 Ų2649.3 Ų49.314%0.13625%0.252CS..EExtended strand (participates in β ladder)trans-63.7125.6175.9-171153.2000109.2V84 L107 P141 F145 L201 E202 F213V84-L143 HydrophobicContact CG2-CD1 4.22Å; L107-L143 HydrophobicContact CD2-CD2 4Å; P141-L143 PolarHBondContact O-N 3.21Å; L143-F145 HydrophobicContact CD2-CE2 4.14Å; L143-F145 HydrophobicContact CD2-CZ 4.35Å; L143-L201 HydrophobicContact CD1-CB 4.16Å; L143-L201 HydrophobicContact CD1-CD2 3.83Å; L143-L201 HydrophobicContact CD2-CB 4.04Å; L143-L201 HydrophobicContact CD2-CD2 3.72Å; L143-L201 HydrophobicContact CD2-CG 4.17Å; L143-L201 HydrophobicContact CG-CB 4.15Å; L143-L201 HydrophobicContact CG-CD2 4.28Å; L143-E202 WeakPolarHBondContact CA-O 3.34Å; L143-F213 HydrophobicContact CB-CE1 4.16Å; L143-F213 HydrophobicContact CB-CE2 4.44Å; L143-F213 HydrophobicContact CB-CZ 3.71Å; L143-F213 HydrophobicContact CD1-CD1 4.35Å; L143-F213 HydrophobicContact CD1-CE1 3.95Å; L143-F213 HydrophobicContact CD1-CE2 4.49Å; L143-F213 HydrophobicContact CD1-CZ 4.05Å; L143-F213 HydrophobicContact CG-CE1 4.41Å; L143-F213 HydrophobicContact CG-CE2 4.38Å; L143-F213 HydrophobicContact CG-CZ 4.02Å
144F95.5Very high93Very high64 Ų6449.9 Ų49.928%0.28125%0.252SS..EExtended strand (participates in β ladder)trans-129.6159.917080.9-75.2000110.7D142 A146 L201 E202 F204D142-F144 PolarHBondContact O-N 2.72Å; F144-A146 HydrophobicContact CE2-CB 4.15Å; F144-A146 HydrophobicContact CZ-CB 4.42Å; F144-L201 WeakPolarHBondContact O-CA 3.47Å; F144-E202 HydrophobicContact CD1-CB 4.31Å; F144-E202 WeakPolarHBondContact CD1-O 3.33Å; F144-E202 HydrophobicContact CE1-CB 3.64Å; F144-E202 HydrophobicContact CE1-CG 3.77Å; F144-E202 HydrophobicContact CZ-CB 3.96Å; F144-E202 HydrophobicContact CZ-CG 4.12Å; F144-E202 PolarHBondContact N-O 3.44Å; F144-E202 PolarHBondContact O-N 3.03Å; F144-F204 HydrophobicContact CD1-CB 3.66Å; F144-F204 HydrophobicContact CD1-CD2 4.06Å; F144-F204 HydrophobicContact CD1-CG 4.38Å; F144-F204 HydrophobicContact CE1-CB 4.01Å; F144-F204 HydrophobicContact CE1-CD2 4.07Å; F144-F204 HydrophobicContact CG-CB 4.43Å; F144-F204 HydrophobicContact CG-CD2 4.32Å; F144-F204 HydrophobicContact CZ-CD2 4.33Å
145F96.8Very high93.2Very high22 Ų2254 Ų5410%0.09628%0.275CS..EExtended strand (participates in β ladder)trans-92.6113.1177-68.5-90.4000108.8I105 L107 L143 N147 E148 L177 I179 L181 M199 Q200 L201I105-F145 HydrophobicContact CD1-CE1 4.2Å; I105-F145 HydrophobicContact CD1-CZ 3.92Å; L107-F145 HydrophobicContact CD2-CE2 4.48Å; L107-F145 HydrophobicContact CD2-CZ 4.28Å; L143-F145 HydrophobicContact CD2-CE2 4.14Å; L143-F145 HydrophobicContact CD2-CZ 4.35Å; F145-N147 VanDerWaalsContact C-N 3.28Å; F145-N147 PolarHBondContact O-N 3.49Å; F145-E148 HydrophobicContact CB-CB 3.61Å; F145-E148 HydrophobicContact CB-CG 4.47Å; F145-E148 WeakPolarHBondContact O-CB 3.4Å; F145-E148 PolarHBondContact O-N 3.37Å; F145-L177 HydrophobicContact CE2-CD1 3.97Å; F145-L177 HydrophobicContact CZ-CD1 4.25Å; F145-I179 HydrophobicContact CD1-CD1 4.04Å; F145-I179 HydrophobicContact CD2-CD1 3.78Å; F145-I179 HydrophobicContact CE1-CD1 3.58Å; F145-I179 HydrophobicContact CE2-CD1 3.31Å; F145-I179 HydrophobicContact CG-CD1 4.13Å; F145-I179 HydrophobicContact CZ-CD1 3.2Å; F145-L181 HydrophobicContact CB-CD2 4.09Å; F145-L181 HydrophobicContact CD1-CD2 4.21Å; F145-L181 HydrophobicContact CG-CD2 4.44Å; F145-M199 HydrophobicContact CD1-CG 4.08Å; F145-M199 HydrophobicContact CE1-CG 4.05Å; F145-M199 HydrophobicContact CE1-SD 3.99Å; F145-Q200 CarbonylContact C-O 3.58Å; F145-Q200 VanDerWaalsContact CA-O 3.3Å; F145-Q200 WeakPolarHBondContact CA-O 3.42Å; F145-L201 HydrophobicContact CD1-CG 3.99Å; F145-L201 HydrophobicContact CE1-CD1 4.25Å; F145-L201 HydrophobicContact CE1-CD2 3.79Å; F145-L201 HydrophobicContact CE1-CG 3.7Å; F145-L201 HydrophobicContact CZ-CD2 4Å; F145-L201 HydrophobicContact CZ-CG 4.33Å
146A94.7Very high93.1Very high43 Ų4358.2 Ų58.236%0.35530%0.303SS..THydrogen-bonded Turntrans-66.7-30.2-171.700000113.2F144 Q200 E202F144-A146 HydrophobicContact CE2-CB 4.15Å; F144-A146 HydrophobicContact CZ-CB 4.42Å; A146-Q200 HydrophobicContact CB-CB 4.11Å; A146-Q200 PolarHBondContact N-O 3.37Å; A146-E202 HydrophobicContact CB-CB 4.49Å
147N95.6Very high93.1Very high23 Ų2359.7 Ų59.712%0.12332%0.322CS..THydrogen-bonded Turntrans-107.125.7179.967.8-46.5000113.3F145 L181 S182 K198 Q200F145-N147 VanDerWaalsContact C-N 3.28Å; F145-N147 PolarHBondContact O-N 3.49Å; N147-L181 CarbonylContact O-C 3.53Å; N147-L181 WeakPolarHBondContact O-CA 3.41Å; N147-S182 PolarHBondContact ND2-O 3.27Å; N147-S182 PolarHBondContact O-N 3.47Å; N147-K198 PolarHBondContact ND2-O 2.87Å; N147-Q200 PolarHBondContact OD1-N 3.01Å; N147-Q200 VanDerWaalsContact OD1-N 3.16Å
148E95.9Very high92.9Very high84 Ų8464.3 Ų64.339%0.39334%0.342SS..EExtended strand (participates in β ladder)trans-76.4137.5177175.5-92.9167.800112.6F145 S150 A151 I179 L181F145-E148 HydrophobicContact CB-CB 3.61Å; F145-E148 HydrophobicContact CB-CG 4.47Å; F145-E148 WeakPolarHBondContact O-CB 3.4Å; F145-E148 PolarHBondContact O-N 3.37Å; E148-S150 WeakPolarHBondContact OE1-CA 3.43Å; E148-S150 PolarHBondContact OE1-N 3.15Å; E148-S150 VanDerWaalsContact OE1-N 3.14Å; E148-A151 HydrophobicContact CG-CB 3.97Å; E148-A151 PolarHBondContact OE1-N 3.05Å; E148-I179 HydrophobicContact CB-CG2 4.41Å; E148-I179 HydrophobicContact CG-CG2 3.97Å; E148-L181 HydrophobicContact CB-CD2 4.15Å
149K95.2Very high92.7Very high96 Ų9667.6 Ų67.642%0.41736%0.357SS..EExtended strand (participates in β ladder)trans-103.8-38.2169.2-66.7-172.5-176.5178.10112T98 D100 T180T98-K149 PolarHBondContact O-NZ 3.2Å; D100-K149 HydrophobicContact CB-CD 4.06Å; D100-K149 WeakPolarHBondContact OD2-CD 3.2Å; D100-K149 IonicContact OD2-NZ 2.87Å; D100-K149 PolarHBondContact OD2-NZ 3.27Å; K149-T180 PolarHBondContact N-O 3.07Å
150S94.7Very high92.5Very high50 Ų5070.2 Ų70.235%0.3537%0.372SS..EExtended strand (participates in β ladder)trans-154.1139.2173.4580000110.6E148 T180E148-S150 WeakPolarHBondContact OE1-CA 3.43Å; E148-S150 PolarHBondContact OE1-N 3.15Å; E148-S150 VanDerWaalsContact OE1-N 3.14Å; S150-T180 PolarHBondContact N-O 3.09Å; S150-T180 PolarHBondContact O-N 3.15Å; S150-T180 WeakPolarHBondContact OG-CB 3.38Å; S150-T180 PolarHBondContact OG-OG1 3.36Å
151A94.5Very high92.4Very high44 Ų4467 Ų6736%0.36436%0.359SS..EExtended strand (participates in β ladder)trans-133.5141.7175.300000110.8E148 S178 I179E148-A151 HydrophobicContact CG-CB 3.97Å; E148-A151 PolarHBondContact OE1-N 3.05Å; A151-S178 CarbonylContact C-O 3.51Å; A151-S178 WeakPolarHBondContact CA-O 3.17Å; A151-I179 HydrophobicContact CB-CG1 4.36Å; A151-I179 HydrophobicContact CB-CG2 4.23Å
152N93.8Very high92.3Very high86 Ų8670.1 Ų70.146%0.4638%0.375SS..EExtended strand (participates in β ladder)trans-130.2133.9177-64.6-67.5000110.5S178N152-S178 PolarHBondContact N-O 3.25Å; N152-S178 PolarHBondContact O-N 2.99Å
153F91.8Very high92.2Very high136 Ų13668.2 Ų68.260%0.59637%0.365SS*.EExtended strand (participates in β ladder)trans-79.2147165.7-65-87000109.6M175 L177F153-M175 HydrophobicContact CE1-SD 4.08Å; F153-L177 HydrophobicContact CD1-CD2 3.29Å; F153-L177 HydrophobicContact CE1-CD2 3.35Å; F153-L177 HydrophobicContact CG-CD2 4.09Å; F153-L177 HydrophobicContact CZ-CD2 4.17Å
154H90.7Very high92.1Very high46 Ų4669.6 Ų69.621%0.21337%0.37CS..  trans-91.7121173-67.2-94.2000110.7N160 R176 S178H154-N160 HydrophobicContact CB-CB 4.27Å; H154-N160 VanDerWaalsContact CB-ND2 3.34Å; H154-N160 WeakPolarHBondContact CB-ND2 3.41Å; H154-N160 WeakPolarHBondContact O-CB 3.35Å; H154-N160 PolarHBondContact O-N 3.2Å; H154-N160 PolarHBondContact O-ND2 3.43Å; H154-R176 HydrophobicContact CB-CB 4.41Å; H154-R176 HydrophobicContact CB-CG 4.48Å; H154-R176 PolarHBondContact CD2-O 3.21Å; H154-S178 PolarHBondContact CE1-OG 3.42Å; H154-S178 PolarHBondContact NE2-OG 3.31Å
155D87.7Confident92Very high111 Ų11166.6 Ų66.659%0.59436%0.356SS*.  trans-120.41.1-171.963.7-18.2000114.8T157 Q158D155-T157 CarbonylContact O-C 3.46Å; D155-Q158 CarbonylContact C-O 3.51Å; D155-Q158 CarbonylContact O-C 3.2Å; D155-Q158 WeakPolarHBondContact O-CA 3.47Å; D155-Q158 PolarHBondContact O-N 3.42Å
156V86.9Confident91.8Very high115 Ų11568.1 Ų68.170%0.69736%0.363SS*.SBendtrans-102.2131.2179.2-178.90000110.6Q158V156-Q158 VanDerWaalsContact C-N 3.34Å
157T86.7Confident91.5Very high146 Ų14670.7 Ų70.790%0.89636%0.364SS*.SBendcis-79.7-11.6-9.249.90000113.6D155D155-T157 CarbonylContact O-C 3.46Å
158Q86.1Confident91.2Very high107 Ų10775 Ų7550%0.539%0.387SS..SBendtrans-137.7163.1174.1-175.5173.78.700108.7D155 V156 N160D155-Q158 CarbonylContact C-O 3.51Å; D155-Q158 CarbonylContact O-C 3.2Å; D155-Q158 WeakPolarHBondContact O-CA 3.47Å; D155-Q158 PolarHBondContact O-N 3.42Å; V156-Q158 VanDerWaalsContact C-N 3.34Å; Q158-N160 PolarHBondContact O-N 3.36Å; Q158-N160 VanDerWaalsContact O-N 3.11Å; Q158-N160 PolarHBondContact O-OD1 2.87Å
159E86.6Confident91Very high71 Ų7171 Ų7133%0.33237%0.368SS..  trans-53.1115.2170.5-66.7-178163.900110.3P132 K136 I161P132-E159 HydrophobicContact CB-CB 4.36Å; K136-E159 IonicContact NZ-OE1 2.73Å; K136-E159 PolarHBondContact NZ-OE1 2.95Å; K136-E159 IonicContact NZ-OE2 2.82Å; K136-E159 PolarHBondContact NZ-OE2 3.49Å; K136-E159 VanDerWaalsContact NZ-OE2 3.16Å; E159-I161 PolarHBondContact O-N 2.89Å
160N89.6Confident90.9Very high61 Ų6168.1 Ų68.133%0.32636%0.357SS..  trans-80.965.4-176.9-69.8-39.3000111.5H154 Q158 R176H154-N160 HydrophobicContact CB-CB 4.27Å; H154-N160 VanDerWaalsContact CB-ND2 3.34Å; H154-N160 WeakPolarHBondContact CB-ND2 3.41Å; H154-N160 WeakPolarHBondContact O-CB 3.35Å; H154-N160 PolarHBondContact O-N 3.2Å; H154-N160 PolarHBondContact O-ND2 3.43Å; Q158-N160 PolarHBondContact O-N 3.36Å; Q158-N160 VanDerWaalsContact O-N 3.11Å; Q158-N160 PolarHBondContact O-OD1 2.87Å; N160-R176 HydrophobicContact CB-CB 4.04Å; N160-R176 PolarHBondContact O-N 3.03Å; N160-R176 VanDerWaalsContact O-N 3.17Å
161I92.3Very high91Very high27 Ų2765.7 Ų65.714%0.13834%0.34CS..EExtended strand (participates in β ladder)trans-124126.6176.1-56.4175000107.5P132 Y135 E159 V173 S174 M175P132-I161 HydrophobicContact CB-CB 4.25Å; P132-I161 WeakPolarHBondContact CG-O 3.19Å; Y135-I161 HydrophobicContact CD1-CD1 3.97Å; Y135-I161 HydrophobicContact CD1-CG2 4.44Å; Y135-I161 HydrophobicContact CE1-CD1 4.43Å; Y135-I161 HydrophobicContact CG-CG2 4.34Å; E159-I161 PolarHBondContact O-N 2.89Å; I161-V173 HydrophobicContact CG2-CG1 3.99Å; I161-S174 CarbonylContact C-O 3.59Å; I161-S174 WeakPolarHBondContact CA-O 3.37Å; I161-M175 HydrophobicContact CG1-CB 4.2Å
162L92.9Very high91Very high75 Ų7565.4 Ų65.439%0.39333%0.333SS..EExtended strand (participates in β ladder)trans-103.2131.9171.9-177.772.3000108.1F164 V173 S174L162-F164 HydrophobicContact CD1-CE1 4.1Å; L162-F164 HydrophobicContact CD1-CE2 4.19Å; L162-F164 HydrophobicContact CD1-CZ 3.75Å; L162-F164 HydrophobicContact CD2-CD2 4.15Å; L162-F164 HydrophobicContact CD2-CE2 3.46Å; L162-F164 VanDerWaalsContact CD2-CE2 3.46Å; L162-F164 HydrophobicContact CD2-CZ 3.83Å; L162-F164 HydrophobicContact CG-CD2 4.29Å; L162-F164 HydrophobicContact CG-CE1 4.48Å; L162-F164 HydrophobicContact CG-CE2 3.86Å; L162-F164 HydrophobicContact CG-CZ 3.96Å; L162-V173 CarbonylContact O-C 3.21Å; L162-V173 VanDerWaalsContact O-CA 3.29Å; L162-V173 WeakPolarHBondContact O-CA 3.4Å; L162-S174 PolarHBondContact N-O 3.06Å; L162-S174 PolarHBondContact O-N 3.34Å
163L93.5Very high91.1Very high0 Ų061.3 Ų61.30%031%0.311CS..EExtended strand (participates in β ladder)trans-128.9118.8179.2174.163.8000109.8V130 M134 L138 V171 V173V130-L163 HydrophobicContact CB-CB 4.46Å; V130-L163 HydrophobicContact CB-CD2 3.83Å; V130-L163 HydrophobicContact CB-CG 4.04Å; V130-L163 HydrophobicContact CG1-CD2 3.98Å; V130-L163 PolarHBondContact N-O 2.89Å; M134-L163 HydrophobicContact CB-CD2 4.3Å; L138-L163 HydrophobicContact CD1-CD1 4.06Å; L138-L163 HydrophobicContact CD1-CD2 3.77Å; L163-V171 HydrophobicContact CD1-CG1 3.55Å; L163-V173 HydrophobicContact CD1-CG2 3.55Å
164F93.3Very high91.3Very high54 Ų5455.6 Ų55.624%0.23729%0.287CS..EExtended strand (participates in β ladder)trans-116.9132.9171.7-65.5-49.3000110.4L128 T129 L162 F166 V171 L172L128-F164 WeakPolarHBondContact O-CA 3.18Å; T129-F164 HydrophobicContact CG2-CD1 4.09Å; T129-F164 HydrophobicContact CG2-CE1 3.63Å; T129-F164 VanDerWaalsContact OG1-CE1 3.26Å; T129-F164 WeakPolarHBondContact OG1-CE1 3.45Å; L162-F164 HydrophobicContact CD1-CE1 4.1Å; L162-F164 HydrophobicContact CD1-CE2 4.19Å; L162-F164 HydrophobicContact CD1-CZ 3.75Å; L162-F164 HydrophobicContact CD2-CD2 4.15Å; L162-F164 HydrophobicContact CD2-CE2 3.46Å; L162-F164 VanDerWaalsContact CD2-CE2 3.46Å; L162-F164 HydrophobicContact CD2-CZ 3.83Å; L162-F164 HydrophobicContact CG-CD2 4.29Å; L162-F164 HydrophobicContact CG-CE1 4.48Å; L162-F164 HydrophobicContact CG-CE2 3.86Å; L162-F164 HydrophobicContact CG-CZ 3.96Å; F164-F166 HydrophobicContact CB-CE2 4.22Å; F164-V171 WeakPolarHBondContact O-CA 3.39Å; F164-L172 HydrophobicContact CB-CB 4.36Å; F164-L172 HydrophobicContact CD2-CD2 4.1Å; F164-L172 PolarHBondContact N-O 3.14Å; F164-L172 PolarHBondContact O-N 3.07Å
165I92.3Very high91.4Very high1 Ų153.8 Ų53.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-110.1117.6169-57.5177.7000107.2L60 L116 L118 A127 L128 V130L60-I165 HydrophobicContact CD1-CD1 4.5Å; L116-I165 HydrophobicContact CB-CG2 4.24Å; L116-I165 WeakPolarHBondContact O-CG2 3.36Å; L118-I165 HydrophobicContact CD2-CG2 4.38Å; L118-I165 HydrophobicContact CG-CG2 4.35Å; A127-I165 WeakPolarHBondContact CA-O 3.31Å; L128-I165 PolarHBondContact N-O 2.84Å; L128-I165 PolarHBondContact O-N 3.17Å; V130-I165 HydrophobicContact CG2-CD1 3.93Å; V130-I165 HydrophobicContact CG2-CG1 4.15Å
166F92.8Very high91.8Very high55 Ų5552.2 Ų52.224%0.24127%0.265CS..EExtended strand (participates in β ladder)trans-85.6159.9178.6-68-88.7000111.5D126 A127 F164 D168 G169 D170 L172D126-F166 WeakPolarHBondContact O-CA 3.42Å; A127-F166 HydrophobicContact CB-CD1 3.76Å; A127-F166 HydrophobicContact CB-CE1 3.82Å; A127-F166 HydrophobicContact CB-CG 4.37Å; A127-F166 HydrophobicContact CB-CZ 4.48Å; F164-F166 HydrophobicContact CB-CE2 4.22Å; F166-D168 PolarHBondContact O-N 2.94Å; F166-G169 PolarHBondContact O-N 3.43Å; F166-D170 HydrophobicContact CB-CB 4.02Å; F166-D170 HydrophobicContact CD2-CB 3.9Å; F166-D170 WeakPolarHBondContact CD2-O 3.44Å; F166-D170 HydrophobicContact CG-CB 4.29Å; F166-D170 PolarHBondContact N-O 3.16Å; F166-L172 HydrophobicContact CE2-CB 3.71Å; F166-L172 HydrophobicContact CE2-CD2 4.32Å; F166-L172 HydrophobicContact CZ-CD2 4.4Å
167R88.9Confident92.2Very high97 Ų9747.2 Ų47.237%0.36623%0.234SC..THydrogen-bonded Turntrans-56.5-33.6179.6-164.2174.5-165.8168.25.3113.9K117 L118 S120 D126 G169K117-R167 VanDerWaalsContact CG-O 3.28Å; K117-R167 WeakPolarHBondContact CG-O 3.22Å; L118-R167 HydrophobicContact CB-CG 4.49Å; L118-R167 PolarHBondContact N-O 3.37Å; S120-R167 PolarHBondContact O-NH2 3.35Å; S120-R167 VanDerWaalsContact O-NH2 3.12Å; D126-R167 PolarHBondContact O-N 2.9Å; R167-G169 PolarHBondContact O-N 3.33Å
168D89.8Confident92.6Very high113 Ų11340.5 Ų40.560%0.60419%0.193SC*.THydrogen-bonded Turntrans-79.1-1.7-178.5-59.8-44.1000114N112 F166N112-D168 PolarHBondContact ND2-O 3.34Å; F166-D168 PolarHBondContact O-N 2.94Å
169G90.4Very high93Very high0 Ų035.4 Ų35.40%017%0.169CC..SBendtrans88.84-174.700000113.6D113 F166 R167D113-G169 PolarHBondContact N-O 3.41Å; F166-G169 PolarHBondContact O-N 3.43Å; R167-G169 PolarHBondContact O-N 3.33Å
170D94.6Very high93.5Very high35 Ų3532.9 Ų32.919%0.18716%0.159CC..EExtended strand (participates in β ladder)trans-66.9136.8169-74-10.5000110.3K110 W111 N112 F166K110-D170 VanDerWaalsContact CE-CG 3.48Å; K110-D170 WeakPolarHBondContact CE-OD2 3.41Å; K110-D170 IonicContact NZ-OD2 2.83Å; K110-D170 PolarHBondContact NZ-OD2 3.24Å; W111-D170 CarbonylContact O-C 3.51Å; W111-D170 WeakPolarHBondContact O-CA 3.32Å; N112-D170 WeakPolarHBondContact CB-OD1 3.47Å; N112-D170 PolarHBondContact ND2-OD1 3.43Å; F166-D170 HydrophobicContact CB-CB 4.02Å; F166-D170 HydrophobicContact CD2-CB 3.9Å; F166-D170 WeakPolarHBondContact CD2-O 3.44Å; F166-D170 HydrophobicContact CG-CB 4.29Å; F166-D170 PolarHBondContact N-O 3.16Å
171V95.1Very high93.8Very high0 Ų030 Ų300%014%0.143CC..EExtended strand (participates in β ladder)trans-115.7125.3174.2-1760000107.8K110 W111 D113 L116 L163 F164 V173K110-V171 VanDerWaalsContact CA-O 3.24Å; K110-V171 WeakPolarHBondContact CA-O 3.23Å; W111-V171 HydrophobicContact CD2-CB 4.18Å; W111-V171 HydrophobicContact CH2-CB 4.24Å; W111-V171 HydrophobicContact CH2-CG1 3.69Å; W111-V171 HydrophobicContact CZ2-CB 3.81Å; W111-V171 HydrophobicContact CZ2-CG1 3.57Å; W111-V171 HydrophobicContact CZ2-CG2 4.44Å; W111-V171 HydrophobicContact CZ3-CG1 4.28Å; W111-V171 PolarHBondContact N-O 3.27Å; W111-V171 PolarHBondContact O-N 3.18Å; D113-V171 HydrophobicContact CB-CG2 4.49Å; L116-V171 HydrophobicContact CD1-CG2 3.65Å; L163-V171 HydrophobicContact CD1-CG1 3.55Å; F164-V171 WeakPolarHBondContact O-CA 3.39Å; V171-V173 HydrophobicContact CG1-CG2 4.25Å
172L95.4Very high94Very high38 Ų3830.8 Ų30.820%0.19915%0.152CC..EExtended strand (participates in β ladder)trans-112.2123.5172.5171.163.7000109.2R108 Q109 K110 F164 F166R108-L172 HydrophobicContact CB-CD1 4.35Å; Q109-L172 WeakPolarHBondContact O-CA 3.18Å; K110-L172 HydrophobicContact CB-CD1 4.12Å; K110-L172 HydrophobicContact CG-CB 4.46Å; F164-L172 HydrophobicContact CB-CB 4.36Å; F164-L172 HydrophobicContact CD2-CD2 4.1Å; F164-L172 PolarHBondContact N-O 3.14Å; F164-L172 PolarHBondContact O-N 3.07Å; F166-L172 HydrophobicContact CE2-CB 3.71Å; F166-L172 HydrophobicContact CE2-CD2 4.32Å; F166-L172 HydrophobicContact CZ-CD2 4.4Å
173V95.5Very high94.1Very high0 Ų027.3 Ų27.30%013%0.134CC..EExtended strand (participates in β ladder)trans-115.6131.4172.6175.20000109.2R108 Q109 W111 Y135 I161 L162 L163 V171 M175R108-V173 CarbonylContact C-O 3.55Å; R108-V173 VanDerWaalsContact CA-O 3.23Å; R108-V173 WeakPolarHBondContact CA-O 3.44Å; Q109-V173 PolarHBondContact N-O 3.35Å; Q109-V173 PolarHBondContact O-N 3.27Å; W111-V173 HydrophobicContact CH2-CB 4.35Å; W111-V173 HydrophobicContact CH2-CG2 3.56Å; W111-V173 HydrophobicContact CZ3-CB 4.12Å; W111-V173 HydrophobicContact CZ3-CG2 3.8Å; Y135-V173 HydrophobicContact CD2-CG1 4.27Å; Y135-V173 HydrophobicContact CD2-CG2 3.93Å; Y135-V173 HydrophobicContact CE2-CB 4.35Å; Y135-V173 HydrophobicContact CE2-CG1 3.86Å; Y135-V173 HydrophobicContact CE2-CG2 3.78Å; I161-V173 HydrophobicContact CG2-CG1 3.99Å; L162-V173 CarbonylContact O-C 3.21Å; L162-V173 VanDerWaalsContact O-CA 3.29Å; L162-V173 WeakPolarHBondContact O-CA 3.4Å; L163-V173 HydrophobicContact CD1-CG2 3.55Å; V171-V173 HydrophobicContact CG1-CG2 4.25Å; V173-M175 HydrophobicContact CG1-CE 3.6Å
174S95.4Very high94.2Very high15 Ų1532.5 Ų32.511%0.10517%0.167CC..EExtended strand (participates in β ladder)trans-125119.4171.7174.50000109.1L107 I161 L162L107-S174 WeakPolarHBondContact O-CA 3.48Å; I161-S174 CarbonylContact C-O 3.59Å; I161-S174 WeakPolarHBondContact CA-O 3.37Å; L162-S174 PolarHBondContact N-O 3.06Å; L162-S174 PolarHBondContact O-N 3.34Å
175M94.6Very high94.2Very high9 Ų930.3 Ų30.34%0.04416%0.158CC..EExtended strand (participates in β ladder)trans-124.4141.6-178.464.4-171.974.800111.2F106 L107 Y135 F153 I161 V173 L177F106-M175 CarbonylContact C-O 3.53Å; F106-M175 VanDerWaalsContact CA-O 3.31Å; F106-M175 WeakPolarHBondContact CA-O 3.48Å; L107-M175 HydrophobicContact CB-CG 4.08Å; L107-M175 HydrophobicContact CD2-SD 4.35Å; L107-M175 PolarHBondContact N-O 3.08Å; L107-M175 PolarHBondContact O-N 3.15Å; Y135-M175 HydrophobicContact CE1-CE 4.45Å; Y135-M175 WeakPolarHBondContact OH-CE 3.48Å; F153-M175 HydrophobicContact CE1-SD 4.08Å; I161-M175 HydrophobicContact CG1-CB 4.2Å; V173-M175 HydrophobicContact CG1-CE 3.6Å; M175-L177 HydrophobicContact CG-CD1 4.14Å; M175-L177 HydrophobicContact CG-CD2 4.18Å; M175-L177 HydrophobicContact CG-CG 4.04Å; M175-L177 HydrophobicContact SD-CD1 4.17Å; M175-L177 HydrophobicContact SD-CD2 4.21Å; M175-L177 HydrophobicContact SD-CG 4.45Å
176R94.6Very high94.2Very high78 Ų7834.5 Ų34.529%0.29418%0.18SC..EExtended strand (participates in β ladder)trans-89.9126.4174.3-166.8-174.3171.2169.22.4110.4I105 F106 H154 N160I105-R176 WeakPolarHBondContact O-CA 3.36Å; F106-R176 HydrophobicContact CD1-CB 3.72Å; F106-R176 HydrophobicContact CD1-CG 3.93Å; F106-R176 HydrophobicContact CE1-CB 3.62Å; F106-R176 HydrophobicContact CE1-CG 3.59Å; F106-R176 HydrophobicContact CZ-CG 4.1Å; H154-R176 HydrophobicContact CB-CB 4.41Å; H154-R176 HydrophobicContact CB-CG 4.48Å; H154-R176 PolarHBondContact CD2-O 3.21Å; N160-R176 HydrophobicContact CB-CB 4.04Å; N160-R176 PolarHBondContact O-N 3.03Å; N160-R176 VanDerWaalsContact O-N 3.17Å
177L94.9Very high94.3Very high9 Ų932 Ų325%0.04717%0.169CC..EExtended strand (participates in β ladder)trans-128.1138.4-177.9-56.1174.9000111.1N104 I105 L107 F145 F153 M175 I179N104-L177 CarbonylContact C-O 3.59Å; N104-L177 WeakPolarHBondContact CA-O 3.44Å; I105-L177 HydrophobicContact CG1-CB 4.11Å; I105-L177 PolarHBondContact N-O 3.36Å; I105-L177 PolarHBondContact O-N 3.5Å; L107-L177 HydrophobicContact CB-CD1 4.03Å; L107-L177 HydrophobicContact CD2-CD1 3.99Å; F145-L177 HydrophobicContact CE2-CD1 3.97Å; F145-L177 HydrophobicContact CZ-CD1 4.25Å; F153-L177 HydrophobicContact CD1-CD2 3.29Å; F153-L177 HydrophobicContact CE1-CD2 3.35Å; F153-L177 HydrophobicContact CG-CD2 4.09Å; F153-L177 HydrophobicContact CZ-CD2 4.17Å; M175-L177 HydrophobicContact CG-CD1 4.14Å; M175-L177 HydrophobicContact CG-CD2 4.18Å; M175-L177 HydrophobicContact CG-CG 4.04Å; M175-L177 HydrophobicContact SD-CD1 4.17Å; M175-L177 HydrophobicContact SD-CD2 4.21Å; M175-L177 HydrophobicContact SD-CG 4.45Å; L177-I179 HydrophobicContact CB-CD1 3.91Å; L177-I179 HydrophobicContact CB-CG1 3.81Å; L177-I179 HydrophobicContact CD1-CD1 4.04Å
178S95.1Very high94.5Very high5 Ų530 Ų304%0.03517%0.168CC..EExtended strand (participates in β ladder)trans-103.2115.7162.8-76.60000108.3R102 N104 A151 N152 H154R102-S178 PolarHBondContact NH2-OG 3.42Å; N104-S178 WeakPolarHBondContact OD1-CA 3.4Å; N104-S178 WeakPolarHBondContact OD1-CB 3.31Å; N104-S178 PolarHBondContact OD1-OG 3.36Å; A151-S178 CarbonylContact C-O 3.51Å; A151-S178 WeakPolarHBondContact CA-O 3.17Å; N152-S178 PolarHBondContact N-O 3.25Å; N152-S178 PolarHBondContact O-N 2.99Å; H154-S178 PolarHBondContact CE1-OG 3.42Å; H154-S178 PolarHBondContact NE2-OG 3.31Å
179I95.6Very high94.7Very high0 Ų028.5 Ų28.50%016%0.16CC..EExtended strand (participates in β ladder)trans-127.2135.7-173.5-45.4175.4000109.6R102 V103 I105 F145 E148 A151 L177 L181R102-I179 CarbonylContact C-O 3.56Å; R102-I179 WeakPolarHBondContact CA-O 3.15Å; V103-I179 HydrophobicContact CG1-CB 4.44Å; V103-I179 PolarHBondContact N-O 2.89Å; V103-I179 PolarHBondContact O-N 2.74Å; I105-I179 HydrophobicContact CD1-CD1 3.79Å; I105-I179 HydrophobicContact CG1-CD1 4.23Å; F145-I179 HydrophobicContact CD1-CD1 4.04Å; F145-I179 HydrophobicContact CD2-CD1 3.78Å; F145-I179 HydrophobicContact CE1-CD1 3.58Å; F145-I179 HydrophobicContact CE2-CD1 3.31Å; F145-I179 HydrophobicContact CG-CD1 4.13Å; F145-I179 HydrophobicContact CZ-CD1 3.2Å; E148-I179 HydrophobicContact CB-CG2 4.41Å; E148-I179 HydrophobicContact CG-CG2 3.97Å; A151-I179 HydrophobicContact CB-CG1 4.36Å; A151-I179 HydrophobicContact CB-CG2 4.23Å; L177-I179 HydrophobicContact CB-CD1 3.91Å; L177-I179 HydrophobicContact CB-CG1 3.81Å; L177-I179 HydrophobicContact CD1-CD1 4.04Å; I179-L181 HydrophobicContact CG2-CD2 3.65Å; I179-L181 HydrophobicContact CG2-CG 3.81Å
180T96.2Very high94.8Very high18 Ų1828.5 Ų28.511%0.1116%0.16CC..EExtended strand (participates in β ladder)trans-105.2115.1169.8-49.30000108D100 Y101 K149 S150D100-T180 HydrophobicContact CB-CG2 3.87Å; Y101-T180 WeakPolarHBondContact O-CA 3.5Å; K149-T180 PolarHBondContact N-O 3.07Å; S150-T180 PolarHBondContact N-O 3.09Å; S150-T180 PolarHBondContact O-N 3.15Å; S150-T180 WeakPolarHBondContact OG-CB 3.38Å; S150-T180 PolarHBondContact OG-OG1 3.36Å
181L96.8Very high94.8Very high0 Ų026.9 Ų26.90%015%0.151CC..EExtended strand (participates in β ladder)trans-110.4139.7-174.6-65.5168.3000109.8D100 Y101 V103 F145 N147 E148 I179 M199D100-L181 VanDerWaalsContact CA-O 3.26Å; D100-L181 WeakPolarHBondContact CA-O 3.36Å; D100-L181 WeakPolarHBondContact CB-O 3.49Å; Y101-L181 HydrophobicContact CD1-CB 4.17Å; Y101-L181 WeakPolarHBondContact CD1-O 3.39Å; Y101-L181 HydrophobicContact CE1-CB 3.56Å; Y101-L181 HydrophobicContact CE1-CD1 4.46Å; Y101-L181 HydrophobicContact CE2-CB 4.21Å; Y101-L181 HydrophobicContact CE2-CD1 3.93Å; Y101-L181 PolarHBondContact N-O 2.72Å; Y101-L181 PolarHBondContact O-N 3.45Å; Y101-L181 VanDerWaalsContact OH-CD1 3.25Å; Y101-L181 WeakPolarHBondContact OH-CD1 3.48Å; V103-L181 HydrophobicContact CG1-CD1 4.1Å; F145-L181 HydrophobicContact CB-CD2 4.09Å; F145-L181 HydrophobicContact CD1-CD2 4.21Å; F145-L181 HydrophobicContact CG-CD2 4.44Å; N147-L181 CarbonylContact O-C 3.53Å; N147-L181 WeakPolarHBondContact O-CA 3.41Å; E148-L181 HydrophobicContact CB-CD2 4.15Å; I179-L181 HydrophobicContact CG2-CD2 3.65Å; I179-L181 HydrophobicContact CG2-CG 3.81Å; L181-M199 HydrophobicContact CD1-CB 3.74Å; L181-M199 HydrophobicContact CD1-CG 3.53Å; L181-M199 HydrophobicContact CD1-SD 3.88Å
182S96.4Very high94.7Very high45 Ų4528.6 Ų28.632%0.31516%0.159SC..EExtended strand (participates in β ladder)trans-71128.4174.8-166.40000109.9N147N147-S182 PolarHBondContact ND2-O 3.27Å; N147-S182 PolarHBondContact O-N 3.47Å
183C95.9Very high94.6Very high2 Ų227 Ų271%0.01415%0.151CC..  trans-134.3104.4173-1800000109.1M99 Y101 L185 C197M99-C183 CarbonylContact C-O 3.58Å; M99-C183 WeakPolarHBondContact CB-O 3.31Å; M99-C183 CarbonylContact O-C 3.56Å; M99-C183 PolarHBondContact O-N 3.32Å; M99-C183 VanDerWaalsContact O-O 3.07Å; Y101-C183 HydrophobicContact CD1-CB 3.55Å; Y101-C183 HydrophobicContact CE1-CB 3.78Å; C183-L185 HydrophobicContact CB-CD2 4.37Å; C183-L185 PolarHBondContact O-N 3.12Å; C183-C197 HydrophobicContact CB-CB 3.77Å; C183-C197 WeakPolarHBondContact CB-SG 3.28Å; C183-C197 WeakPolarHBondContact SG-CA 3.43Å; C183-C197 WeakPolarHBondContact SG-CB 3.39Å; C183-C197 CovalentContact SG-SG 2.04Å; C183-C197 PolarHBondContact SG-SG 2.66Å
184P93.7Very high94.5Very high108 Ų10830.9 Ų30.970%0.70118%0.175SC*.  trans-68.1107174.728.1-31.9000109.2
185L93.4Very high94.4Very high9 Ų930.5 Ų30.55%0.04717%0.171CC..  trans-82.1138.8-178.6-54.1175.7000110.7I94 E96 C183 L187 Q195I94-L185 HydrophobicContact CG2-CD1 4.21Å; E96-L185 HydrophobicContact CB-CD1 4.31Å; E96-L185 HydrophobicContact CG-CD1 4.02Å; C183-L185 HydrophobicContact CB-CD2 4.37Å; C183-L185 PolarHBondContact O-N 3.12Å; L185-L187 HydrophobicContact CB-CD2 4.01Å; L185-L187 HydrophobicContact CB-CG 4.3Å; L185-Q195 HydrophobicContact CD2-CB 4.02Å; L185-Q195 HydrophobicContact CD2-CG 3.91Å
186D93.8Very high94.4Very high89 Ų8936.8 Ų36.848%0.47619%0.194SC..  trans-96.7101.5171.3-177-3.5000109.9T188 Q195D186-T188 WeakPolarHBondContact OD1-CB 3.38Å; D186-T188 WeakPolarHBondContact OD1-CG2 3.37Å; D186-T188 PolarHBondContact OD1-N 2.96Å; D186-T188 VanDerWaalsContact OD1-N 3.14Å; D186-T188 PolarHBondContact OD1-OG1 2.7Å; D186-Q195 PolarHBondContact O-NE2 3.14Å
187L93.7Very high94.4Very high1 Ų133 Ų331%0.00518%0.18CC..  trans-94.112.5-173.6-57177.7000113.2L185 L189 F190 P321 V323 Y325 K327L185-L187 HydrophobicContact CB-CD2 4.01Å; L185-L187 HydrophobicContact CB-CG 4.3Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.04Å; L187-F190 HydrophobicContact CB-CB 4.2Å; L187-F190 HydrophobicContact CD2-CD2 4.18Å; L187-F190 WeakPolarHBondContact O-CB 3.31Å; L187-F190 PolarHBondContact O-N 3.36Å; L187-F190 VanDerWaalsContact O-N 3.07Å; L187-P321 HydrophobicContact CD1-CG 3.36Å; L187-V323 HydrophobicContact CD1-CG1 4.41Å; L187-Y325 HydrophobicContact CB-CE2 4.21Å; L187-Y325 PolarHBondContact N-OH 3.31Å; L187-Y325 VanDerWaalsContact N-OH 3.09Å; L187-K327 HydrophobicContact CB-CD 4.2Å; L187-K327 WeakPolarHBondContact O-CG 3.44Å
188T93.4Very high94.4Very high55 Ų5536.8 Ų36.834%0.33720%0.196SC..THydrogen-bonded Turntrans-55.4-42.4-179.248.10000112.5D186 Y325 K327 A328D186-T188 WeakPolarHBondContact OD1-CB 3.38Å; D186-T188 WeakPolarHBondContact OD1-CG2 3.37Å; D186-T188 PolarHBondContact OD1-N 2.96Å; D186-T188 VanDerWaalsContact OD1-N 3.14Å; D186-T188 PolarHBondContact OD1-OG1 2.7Å; T188-Y325 HydrophobicContact CG2-CD2 3.79Å; T188-Y325 HydrophobicContact CG2-CE2 3.85Å; T188-Y325 HydrophobicContact CG2-CG 4.44Å; T188-K327 CarbonylContact O-C 3.57Å; T188-K327 WeakPolarHBondContact O-CA 3.38Å; T188-A328 PolarHBondContact O-N 3.46Å
189L94.1Very high94.5Very high83 Ų8336.6 Ų36.644%0.43520%0.195SC..THydrogen-bonded Turntrans-92.913.1178.7-67.3173000113.9L187 M192 D193 Y496L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.04Å; L189-M192 CarbonylContact O-C 3.48Å; L189-M192 WeakPolarHBondContact O-CA 3.39Å; L189-M192 PolarHBondContact O-N 3.22Å; L189-D193 HydrophobicContact CB-CB 4.39Å; L189-D193 PolarHBondContact O-N 3.23Å; L189-Y496 HydrophobicContact CD2-CD1 3.75Å; L189-Y496 HydrophobicContact CD2-CE1 4.15Å
190F93.6Very high94.5Very high0 Ų038.3 Ų38.30%020%0.203CC..THydrogen-bonded Turntrans-57.8131.7-176.8-179.9-87.6000112.4L187 Y269 L320 K327 L329L187-F190 HydrophobicContact CB-CB 4.2Å; L187-F190 HydrophobicContact CD2-CD2 4.18Å; L187-F190 WeakPolarHBondContact O-CB 3.31Å; L187-F190 PolarHBondContact O-N 3.36Å; L187-F190 VanDerWaalsContact O-N 3.07Å; F190-Y269 HydrophobicContact CE1-CD1 4.34Å; F190-Y269 AromaticContact CE1-CE1 3.93Å; F190-Y269 HydrophobicContact CE1-CE1 3.93Å; F190-Y269 HydrophobicContact CZ-CD1 4.31Å; F190-Y269 AromaticContact CZ-CE1 3.54Å; F190-Y269 HydrophobicContact CZ-CE1 3.54Å; F190-Y269 HydrophobicContact CZ-CE2 4.1Å; F190-Y269 AromaticContact CZ-CZ 3.42Å; F190-Y269 VanDerWaalsContact CZ-CZ 3.42Å; F190-Y269 WeakPolarHBondContact CZ-OH 3.46Å; F190-L320 HydrophobicContact CD1-CD1 4.02Å; F190-L320 HydrophobicContact CE1-CD1 3.54Å; F190-L320 HydrophobicContact CE1-CD2 3.91Å; F190-L320 HydrophobicContact CE1-CG 4.36Å; F190-L320 HydrophobicContact CE2-CD2 3.78Å; F190-L320 HydrophobicContact CZ-CD1 3.96Å; F190-L320 HydrophobicContact CZ-CD2 3.4Å; F190-L320 VanDerWaalsContact CZ-CD2 3.4Å; F190-L320 HydrophobicContact CZ-CG 4.3Å; F190-K327 HydrophobicContact CB-CD 4.45Å; F190-L329 HydrophobicContact CD1-CB 4.16Å; F190-L329 HydrophobicContact CD1-CD2 4.03Å; F190-L329 HydrophobicContact CE1-CD2 3.73Å; F190-L329 PolarHBondContact O-N 3.46Å; F190-L329 VanDerWaalsContact O-N 3.15Å
191P93.3Very high94.5Very high0 Ų037.4 Ų37.40%020%0.197CC..THydrogen-bonded Turncis-96.39.45.938.3-36.4000115.3D193 R264 V266 Y269 Y274P191-D193 WeakPolarHBondContact CA-OD1 3.02Å; P191-D193 PolarHBondContact O-N 2.92Å; P191-R264 VanDerWaalsContact O-CD 3.28Å; P191-R264 WeakPolarHBondContact O-CD 3.27Å; P191-V266 WeakPolarHBondContact O-CG1 3.13Å; P191-Y269 HydrophobicContact CB-CD1 4.43Å; P191-Y269 HydrophobicContact CB-CD2 3.5Å; P191-Y269 VanDerWaalsContact CB-CD2 3.5Å; P191-Y269 HydrophobicContact CB-CE2 3.95Å; P191-Y269 HydrophobicContact CB-CG 3.78Å; P191-Y269 HydrophobicContact CG-CD2 4.04Å; P191-Y269 HydrophobicContact CG-CG 3.88Å; P191-Y274 HydrophobicContact CG-CE2 4.14Å
192M92.6Very high94.4Very high37 Ų3737.5 Ų37.518%0.18220%0.198CC..SBendtrans-88.929.3179.6-64.7150.7-171.300111.7L189 V266 M270 W493 L497L189-M192 CarbonylContact O-C 3.48Å; L189-M192 WeakPolarHBondContact O-CA 3.39Å; L189-M192 PolarHBondContact O-N 3.22Å; M192-V266 HydrophobicContact CG-CG1 3.91Å; M192-M270 HydrophobicContact CE-SD 4.45Å; M192-W493 HydrophobicContact CE-CE3 3.94Å; M192-W493 HydrophobicContact CE-CH2 4.04Å; M192-W493 HydrophobicContact CE-CZ3 3.24Å; M192-L497 HydrophobicContact CE-CD1 4.43Å
193D93.2Very high94.4Very high5 Ų535.4 Ų35.43%0.02718%0.183CC..  trans-85.5150.5-173.456-46000112.6L189 P191 Q195 R264L189-D193 HydrophobicContact CB-CB 4.39Å; L189-D193 PolarHBondContact O-N 3.23Å; P191-D193 WeakPolarHBondContact CA-OD1 3.02Å; P191-D193 PolarHBondContact O-N 2.92Å; D193-Q195 PolarHBondContact OD2-NE2 3.09Å; D193-R264 PolarHBondContact O-N 2.82Å; D193-R264 WeakPolarHBondContact OD1-CD 3.3Å; D193-R264 IonicContact OD1-CZ 3.66Å; D193-R264 IonicContact OD1-NE 2.78Å; D193-R264 PolarHBondContact OD1-NE 2.95Å; D193-R264 IonicContact OD1-NH2 2.72Å; D193-R264 IonicContact OD2-CZ 3.4Å; D193-R264 IonicContact OD2-NE 3.62Å; D193-R264 PolarHBondContact OD2-NE 3.34Å; D193-R264 IonicContact OD2-NH2 3.63Å; D193-R264 PolarHBondContact OD2-NH2 2.82Å
194T93.3Very high94.3Very high81 Ų8142.5 Ų42.550%0.49721%0.214SC..EExtended strand (participates in β ladder)trans-119.3125.6167.1-62.40000108.4T261 L262 R263T194-T261 HydrophobicContact CG2-CG2 3.47Å; T194-T261 VanDerWaalsContact CG2-CG2 3.47Å; T194-L262 CarbonylContact C-O 3.55Å; T194-L262 WeakPolarHBondContact CA-O 3.33Å; T194-R263 HydrophobicContact CG2-CG 4.07Å
195Q94.3Very high94.2Very high6 Ų639.5 Ų39.53%0.02820%0.202CC..EExtended strand (participates in β ladder)trans-107.4141.7-173.4-58-60.9-24.800110.7L185 D186 D193 F231 T261 L262L185-Q195 HydrophobicContact CD2-CB 4.02Å; L185-Q195 HydrophobicContact CD2-CG 3.91Å; D186-Q195 PolarHBondContact O-NE2 3.14Å; D193-Q195 PolarHBondContact OD2-NE2 3.09Å; Q195-F231 HydrophobicContact CG-CE1 4.35Å; Q195-T261 CarbonylContact O-C 3.6Å; Q195-T261 WeakPolarHBondContact O-CA 3.38Å; Q195-L262 HydrophobicContact CB-CB 4.32Å; Q195-L262 PolarHBondContact N-O 2.84Å; Q195-L262 PolarHBondContact O-N 3.28Å
196R94.7Very high94.3Very high141 Ų14141.3 Ų41.353%0.53221%0.209SC..EExtended strand (participates in β ladder)trans-114.298.8175.4-66.7-17575-168.15.9110E239 I259 F260R196-E239 IonicContact NH2-OE2 2.9Å; R196-E239 PolarHBondContact NH2-OE2 2.93Å; R196-I259 HydrophobicContact CB-CG2 4.31Å; R196-F260 CarbonylContact C-O 3.59Å; R196-F260 WeakPolarHBondContact CA-O 3.21Å
197C95.2Very high94.3Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-98.6127.9-179.6-67.40000111.3Y101 C183 F260 L262Y101-C197 HydrophobicContact CD1-CB 4.02Å; Y101-C197 HydrophobicContact CE1-CB 3.68Å; C183-C197 HydrophobicContact CB-CB 3.77Å; C183-C197 WeakPolarHBondContact CB-SG 3.28Å; C183-C197 WeakPolarHBondContact SG-CA 3.43Å; C183-C197 WeakPolarHBondContact SG-CB 3.39Å; C183-C197 CovalentContact SG-SG 2.04Å; C183-C197 PolarHBondContact SG-SG 2.66Å; C197-F260 PolarHBondContact N-O 3.06Å; C197-F260 WeakPolarHBondContact O-CD2 3.41Å; C197-F260 PolarHBondContact O-N 3.09Å; C197-L262 HydrophobicContact CB-CD1 4.06Å; C197-L262 VanDerWaalsContact SG-CD1 3.59Å
198K95.3Very high94.3Very high88 Ų8839.7 Ų39.738%0.38320%0.202SC..EExtended strand (participates in β ladder)trans-100.8141.5-178.3-54.4-171178.9-168.30110.7Y101 N147 Q200 V258 I259Y101-K198 VanDerWaalsContact OH-C 3.29Å; Y101-K198 PolarHBondContact OH-O 2.92Å; N147-K198 PolarHBondContact ND2-O 2.87Å; K198-Q200 HydrophobicContact CB-CG 4.23Å; K198-V258 CarbonylContact C-O 3.55Å; K198-V258 WeakPolarHBondContact CA-O 3.43Å; K198-I259 HydrophobicContact CG-CG1 4.2Å; K198-I259 HydrophobicContact CG-CG2 4.4Å
199M95.9Very high94.3Very high0 Ų042.1 Ų42.10%021%0.214CC..EExtended strand (participates in β ladder)trans-112.7113164.6175.8170.561.300107.6I86 I105 F145 L181 L201 E257 V258 F260I86-M199 HydrophobicContact CD1-CE 3.54Å; I86-M199 HydrophobicContact CG2-CE 4.22Å; I105-M199 HydrophobicContact CD1-SD 4.3Å; F145-M199 HydrophobicContact CD1-CG 4.08Å; F145-M199 HydrophobicContact CE1-CG 4.05Å; F145-M199 HydrophobicContact CE1-SD 3.99Å; L181-M199 HydrophobicContact CD1-CB 3.74Å; L181-M199 HydrophobicContact CD1-CG 3.53Å; L181-M199 HydrophobicContact CD1-SD 3.88Å; M199-L201 HydrophobicContact CG-CD1 3.94Å; M199-E257 VanDerWaalsContact O-CA 3.28Å; M199-E257 WeakPolarHBondContact O-CA 3.26Å; M199-V258 HydrophobicContact CB-CB 4.43Å; M199-V258 HydrophobicContact CE-CB 3.92Å; M199-V258 HydrophobicContact CE-CG2 3.8Å; M199-V258 PolarHBondContact N-O 3.39Å; M199-V258 PolarHBondContact O-N 3.14Å; M199-F260 HydrophobicContact CB-CE2 4Å; M199-F260 HydrophobicContact CE-CE2 4.22Å; M199-F260 HydrophobicContact CE-CZ 3.98Å
200Q95.5Very high94.3Very high36 Ų3640.3 Ų40.317%0.16820%0.204CC..EExtended strand (participates in β ladder)trans-110.5122.4-174-63.8-175.6-5500110.1F145 A146 N147 K198 E257F145-Q200 CarbonylContact C-O 3.58Å; F145-Q200 VanDerWaalsContact CA-O 3.3Å; F145-Q200 WeakPolarHBondContact CA-O 3.42Å; A146-Q200 HydrophobicContact CB-CB 4.11Å; A146-Q200 PolarHBondContact N-O 3.37Å; N147-Q200 PolarHBondContact OD1-N 3.01Å; N147-Q200 VanDerWaalsContact OD1-N 3.16Å; K198-Q200 HydrophobicContact CB-CG 4.23Å; Q200-E257 HydrophobicContact CG-CB 4.02Å; Q200-E257 PolarHBondContact NE2-OE2 2.98Å
201L96.2Very high94.4Very high0 Ų040.3 Ų40.30%020%0.204CC..EExtended strand (participates in β ladder)trans-111.9126.4177.8-56.983.8000107.9V84 I86 L107 L143 F144 F145 M199 C255 V256V84-L201 HydrophobicContact CG1-CD2 4.4Å; I86-L201 HydrophobicContact CD1-CD1 4.04Å; I86-L201 HydrophobicContact CD1-CD2 3.98Å; L107-L201 HydrophobicContact CD1-CD2 3.9Å; L143-L201 HydrophobicContact CD1-CB 4.16Å; L143-L201 HydrophobicContact CD1-CD2 3.83Å; L143-L201 HydrophobicContact CD2-CB 4.04Å; L143-L201 HydrophobicContact CD2-CD2 3.72Å; L143-L201 HydrophobicContact CD2-CG 4.17Å; L143-L201 HydrophobicContact CG-CB 4.15Å; L143-L201 HydrophobicContact CG-CD2 4.28Å; F144-L201 WeakPolarHBondContact O-CA 3.47Å; F145-L201 HydrophobicContact CD1-CG 3.99Å; F145-L201 HydrophobicContact CE1-CD1 4.25Å; F145-L201 HydrophobicContact CE1-CD2 3.79Å; F145-L201 HydrophobicContact CE1-CG 3.7Å; F145-L201 HydrophobicContact CZ-CD2 4Å; F145-L201 HydrophobicContact CZ-CG 4.33Å; M199-L201 HydrophobicContact CG-CD1 3.94Å; L201-C255 CarbonylContact O-C 3.57Å; L201-C255 WeakPolarHBondContact O-CA 3.48Å; L201-V256 HydrophobicContact CB-CG2 3.84Å; L201-V256 HydrophobicContact CD1-CG2 4.4Å; L201-V256 PolarHBondContact N-O 3.44Å; L201-V256 PolarHBondContact O-N 3.14Å
202E95.6Very high94.6Very high2 Ų245.6 Ų45.61%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-138159.5-172.7-177.6167.4-153.500110.6L143 F144 A146 K245 Y247L143-E202 WeakPolarHBondContact CA-O 3.34Å; F144-E202 HydrophobicContact CD1-CB 4.31Å; F144-E202 WeakPolarHBondContact CD1-O 3.33Å; F144-E202 HydrophobicContact CE1-CB 3.64Å; F144-E202 HydrophobicContact CE1-CG 3.77Å; F144-E202 HydrophobicContact CZ-CB 3.96Å; F144-E202 HydrophobicContact CZ-CG 4.12Å; F144-E202 PolarHBondContact N-O 3.44Å; F144-E202 PolarHBondContact O-N 3.03Å; A146-E202 HydrophobicContact CB-CB 4.49Å; E202-K245 WeakPolarHBondContact OE1-CB 3.2Å; E202-K245 WeakPolarHBondContact OE1-CG 3.34Å; E202-Y247 WeakPolarHBondContact OE1-CE2 3.48Å; E202-Y247 PolarHBondContact OE1-OH 3.5Å; E202-Y247 PolarHBondContact OE2-OH 3.01Å
203S95.6Very high94.7Very high1 Ų144 Ų441%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-88.8132.5174.21760000109D142 Y206 Y253 T254D142-S203 PolarHBondContact OD1-OG 2.69Å; D142-S203 PolarHBondContact OD2-OG 3.1Å; S203-Y206 WeakPolarHBondContact OG-CB 3.43Å; S203-Y206 PolarHBondContact OG-N 3.13Å; S203-Y206 PolarHBondContact OG-O 3.36Å; S203-Y206 VanDerWaalsContact OG-O 3.09Å; S203-Y253 WeakPolarHBondContact O-CD1 3.39Å; S203-T254 PolarHBondContact N-O 3.32Å
204F93.3Very high94.9Very high151 Ų15146.6 Ų46.666%0.66223%0.229SC*.SBendtrans-78.5-45.5-175-171.8-100.7000113D142 F144D142-F204 HydrophobicContact CB-CB 4.39Å; D142-F204 PolarHBondContact O-N 3.43Å; D142-F204 PolarHBondContact OD2-N 3.45Å; F144-F204 HydrophobicContact CD1-CB 3.66Å; F144-F204 HydrophobicContact CD1-CD2 4.06Å; F144-F204 HydrophobicContact CD1-CG 4.38Å; F144-F204 HydrophobicContact CE1-CB 4.01Å; F144-F204 HydrophobicContact CE1-CD2 4.07Å; F144-F204 HydrophobicContact CG-CB 4.43Å; F144-F204 HydrophobicContact CG-CD2 4.32Å; F144-F204 HydrophobicContact CZ-CD2 4.33Å
205G92.2Very high95Very high44 Ų4444.1 Ų44.145%0.45421%0.211SC..SBendtrans-118.3-23.4-170.400000114.6D142D142-G205 VanDerWaalsContact OD2-CA 3.3Å; D142-G205 WeakPolarHBondContact OD2-CA 3.46Å; D142-G205 PolarHBondContact OD2-N 3.41Å
206Y94.6Very high95Very high47 Ų4747.7 Ų47.718%0.18423%0.227CC..  trans-94.5130.2-179.2-60.4-69.4000112.4R72 W139 D142 S203 D210 L211 Y253R72-Y206 HydrophobicContact CB-CE1 4.11Å; R72-Y206 HydrophobicContact CG-CE1 4.31Å; W139-Y206 AromaticContact CZ2-CE2 3.89Å; W139-Y206 HydrophobicContact CZ2-CE2 3.89Å; W139-Y206 AromaticContact NE1-CZ 3.83Å; W139-Y206 PolarHBondContact NE1-OH 2.91Å; D142-Y206 HydrophobicContact CB-CD2 4.39Å; D142-Y206 HydrophobicContact CB-CE2 4.34Å; D142-Y206 WeakPolarHBondContact OD1-CD2 3.49Å; D142-Y206 WeakPolarHBondContact OD2-CD2 3.15Å; D142-Y206 PolarHBondContact OD2-N 3.37Å; S203-Y206 WeakPolarHBondContact OG-CB 3.43Å; S203-Y206 PolarHBondContact OG-N 3.13Å; S203-Y206 PolarHBondContact OG-O 3.36Å; S203-Y206 VanDerWaalsContact OG-O 3.09Å; Y206-D210 HydrophobicContact CD1-CB 3.98Å; Y206-D210 HydrophobicContact CG-CB 4.35Å; Y206-L211 HydrophobicContact CD2-CB 4.46Å; Y206-L211 HydrophobicContact CD2-CD1 3.79Å; Y206-L211 HydrophobicContact CE2-CD1 4.46Å; Y206-L211 HydrophobicContact CG-CB 4.17Å; Y206-L211 HydrophobicContact CG-CD1 4.32Å; Y206-Y253 WeakPolarHBondContact O-CD1 3.34Å
207T95.1Very high94.8Very high28 Ų2846.4 Ų46.417%0.17224%0.24CC..  trans-76.7172.4173.362.60000111.4D209 D210 L211 Y252 Y253T207-D209 PolarHBondContact O-N 2.82Å; T207-D209 VanDerWaalsContact O-N 3.09Å; T207-D210 WeakPolarHBondContact O-CB 3.27Å; T207-D210 PolarHBondContact O-N 3.36Å; T207-L211 PolarHBondContact O-N 3.35Å; T207-Y252 CarbonylContact C-O 3.57Å; T207-Y252 WeakPolarHBondContact CA-O 3.43Å; T207-Y252 VanDerWaalsContact CB-O 3.29Å; T207-Y252 WeakPolarHBondContact CB-O 3.48Å; T207-Y253 HydrophobicContact CG2-CE2 4.45Å
208T94.4Very high94.5Very high28 Ų2849.8 Ų49.817%0.17228%0.275CS..THydrogen-bonded Turntrans-59.9-18.4176.849.40000115D210 R212 T244 Y252T208-D210 VanDerWaalsContact C-N 3.33Å; T208-R212 PolarHBondContact O-NE 3.33Å; T208-T244 HydrophobicContact CG2-CG2 3.93Å; T208-Y252 PolarHBondContact N-O 3.05Å
209D93.3Very high94.1Very high107 Ų10749.6 Ų49.657%0.57228%0.278SS*.THydrogen-bonded Turntrans-81.3-20.4176.4-60.6-30.3000111.8P79 T207P79-D209 WeakPolarHBondContact CB-O 3.29Å; T207-D209 PolarHBondContact O-N 2.82Å; T207-D209 VanDerWaalsContact O-N 3.09Å
210D94Very high93.8Very high44 Ų4449.7 Ų49.724%0.23528%0.279CS..THydrogen-bonded Turntrans-104.3-39.5-173.1-71.6-16000112.4R72 P79 V80 Y206 T207 T208R72-D210 IonicContact CZ-OD1 3.41Å; R72-D210 IonicContact CZ-OD2 2.83Å; R72-D210 IonicContact NH1-OD1 3.61Å; R72-D210 PolarHBondContact NH1-OD1 3.34Å; R72-D210 IonicContact NH1-OD2 3.64Å; R72-D210 PolarHBondContact NH1-OD2 2.95Å; R72-D210 IonicContact NH2-OD1 3.69Å; R72-D210 PolarHBondContact NH2-OD1 2.8Å; P79-D210 WeakPolarHBondContact CA-O 3.45Å; V80-D210 PolarHBondContact N-O 2.89Å; Y206-D210 HydrophobicContact CD1-CB 3.98Å; Y206-D210 HydrophobicContact CG-CB 4.35Å; T207-D210 WeakPolarHBondContact O-CB 3.27Å; T207-D210 PolarHBondContact O-N 3.36Å; T208-D210 VanDerWaalsContact C-N 3.33Å
211L95.3Very high93.6Very high0 Ų048.5 Ų48.50%027%0.274CS..EExtended strand (participates in β ladder)trans-149.1139.9-174.9-169.1150.5000110.7V80 V82 W139 P141 Y206 T207 F213 T254V80-L211 WeakPolarHBondContact O-CA 3.46Å; V82-L211 HydrophobicContact CG2-CD1 4.12Å; V82-L211 HydrophobicContact CG2-CD2 4.12Å; V82-L211 HydrophobicContact CG2-CG 4.02Å; W139-L211 HydrophobicContact CH2-CD1 3.91Å; W139-L211 HydrophobicContact CZ2-CD1 4.18Å; P141-L211 HydrophobicContact CB-CD1 3.96Å; Y206-L211 HydrophobicContact CD2-CB 4.46Å; Y206-L211 HydrophobicContact CD2-CD1 3.79Å; Y206-L211 HydrophobicContact CE2-CD1 4.46Å; Y206-L211 HydrophobicContact CG-CB 4.17Å; Y206-L211 HydrophobicContact CG-CD1 4.32Å; T207-L211 PolarHBondContact O-N 3.35Å; L211-F213 HydrophobicContact CD2-CD1 3.92Å; L211-F213 HydrophobicContact CD2-CD2 4.3Å; L211-F213 HydrophobicContact CD2-CE1 3.54Å; L211-F213 HydrophobicContact CD2-CE2 3.95Å; L211-F213 HydrophobicContact CD2-CG 4.25Å; L211-F213 HydrophobicContact CD2-CZ 3.54Å; L211-T254 HydrophobicContact CD2-CG2 3.89Å; L211-T254 VanDerWaalsContact O-CG2 3.26Å; L211-T254 WeakPolarHBondContact O-CG2 3.49Å
212R96.1Very high93.4Very high112 Ų11251 Ų5142%0.42329%0.286SS..EExtended strand (participates in β ladder)trans-131.2129.8176.7-65.5177.8-177.4176.8-0.3110.8P79 V80 V82 T208P79-R212 HydrophobicContact CB-CG 4.17Å; V80-R212 PolarHBondContact O-N 2.81Å; V82-R212 PolarHBondContact N-O 2.83Å; T208-R212 PolarHBondContact O-NE 3.33Å
213F96.7Very high93Very high4 Ų451.6 Ų51.62%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-90.7129.8171.3-67.9-51.6000109.6V82 V84 P141 L143 L211 T254 V256V82-F213 HydrophobicContact CB-CD1 3.71Å; V82-F213 HydrophobicContact CB-CE1 3.88Å; V82-F213 HydrophobicContact CG1-CD1 3.94Å; V82-F213 HydrophobicContact CG1-CE1 3.88Å; V82-F213 HydrophobicContact CG2-CD1 4.48Å; V82-F213 HydrophobicContact CG2-CE1 4.27Å; V82-F213 WeakPolarHBondContact O-CA 3.36Å; V84-F213 HydrophobicContact CG2-CB 4.32Å; V84-F213 HydrophobicContact CG2-CD1 3.86Å; V84-F213 HydrophobicContact CG2-CG 4.36Å; P141-F213 HydrophobicContact CB-CE1 4.34Å; L143-F213 HydrophobicContact CB-CE1 4.16Å; L143-F213 HydrophobicContact CB-CE2 4.44Å; L143-F213 HydrophobicContact CB-CZ 3.71Å; L143-F213 HydrophobicContact CD1-CD1 4.35Å; L143-F213 HydrophobicContact CD1-CE1 3.95Å; L143-F213 HydrophobicContact CD1-CE2 4.49Å; L143-F213 HydrophobicContact CD1-CZ 4.05Å; L143-F213 HydrophobicContact CG-CE1 4.41Å; L143-F213 HydrophobicContact CG-CE2 4.38Å; L143-F213 HydrophobicContact CG-CZ 4.02Å; L211-F213 HydrophobicContact CD2-CD1 3.92Å; L211-F213 HydrophobicContact CD2-CD2 4.3Å; L211-F213 HydrophobicContact CD2-CE1 3.54Å; L211-F213 HydrophobicContact CD2-CE2 3.95Å; L211-F213 HydrophobicContact CD2-CG 4.25Å; L211-F213 HydrophobicContact CD2-CZ 3.54Å; F213-T254 HydrophobicContact CB-CG2 4.4Å; F213-T254 HydrophobicContact CD2-CG2 3.55Å; F213-T254 HydrophobicContact CE2-CG2 4.01Å; F213-T254 HydrophobicContact CG-CG2 4.1Å; F213-T254 PolarHBondContact N-OG1 3.09Å; F213-V256 HydrophobicContact CB-CG1 3.67Å; F213-V256 HydrophobicContact CB-CG2 4.19Å
214I95.6Very high92.3Very high59 Ų5956.8 Ų56.830%0.30331%0.313SS..EExtended strand (participates in β ladder)trans-132140.9177.854.9173000109.9D81 V82 V83 V84D81-I214 HydrophobicContact CB-CD1 4.07Å; V82-I214 PolarHBondContact O-N 3.48Å; V83-I214 CarbonylContact C-O 3.4Å; V83-I214 VanDerWaalsContact CA-O 3.29Å; V83-I214 WeakPolarHBondContact CA-O 3.43Å; V83-I214 HydrophobicContact CB-CG1 4.44Å; V83-I214 HydrophobicContact CG2-CD1 3.86Å; V83-I214 HydrophobicContact CG2-CG1 3.96Å; V84-I214 PolarHBondContact N-O 3.28Å
215W96.1Very high91.4Very high29 Ų2959.3 Ų59.311%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-70143.5174.2-71.9116.3000111.4V84 I86 S217 P220 V221 Y240 G241 V256 V258V84-W215 HydrophobicContact CB-CE3 4.27Å; V84-W215 HydrophobicContact CB-CZ3 4.26Å; V84-W215 HydrophobicContact CG1-CE3 4.33Å; V84-W215 HydrophobicContact CG1-CH2 4.47Å; V84-W215 HydrophobicContact CG1-CZ3 3.82Å; I86-W215 HydrophobicContact CD1-CH2 3.76Å; I86-W215 HydrophobicContact CD1-CZ3 3.92Å; I86-W215 HydrophobicContact CG1-CH2 4.42Å; I86-W215 HydrophobicContact CG1-CZ3 4.07Å; W215-S217 PolarHBondContact O-N 2.97Å; W215-P220 HydrophobicContact CB-CB 3.82Å; W215-P220 HydrophobicContact CB-CG 4.22Å; W215-P220 HydrophobicContact CD2-CB 4.12Å; W215-P220 HydrophobicContact CE3-CB 3.73Å; W215-P220 HydrophobicContact CG-CB 4.2Å; W215-V221 HydrophobicContact CH2-CG2 4.34Å; W215-V221 HydrophobicContact CZ3-CG2 4.17Å; W215-Y240 HydrophobicContact CG-CD2 4.32Å; W215-G241 PolarHBondContact NE1-O 2.85Å; W215-V256 HydrophobicContact CH2-CB 4.36Å; W215-V256 HydrophobicContact CH2-CG2 4.14Å; W215-V256 HydrophobicContact CZ2-CB 3.61Å; W215-V256 HydrophobicContact CZ2-CG2 3.89Å; W215-V258 HydrophobicContact CH2-CG2 3.43Å; W215-V258 VanDerWaalsContact CH2-CG2 3.43Å; W215-V258 HydrophobicContact CZ2-CG2 3.66Å; W215-V258 HydrophobicContact CZ3-CG2 4.44Å
216Q94.6Very high90.9Very high80 Ų8059.4 Ų59.437%0.37431%0.313SS..PPolyproline II helixtrans-60.6134.3171.1-170.6-179.4-68.300111.1V83 V84 N85 P220V83-Q216 HydrophobicContact CG1-CB 3.73Å; V83-Q216 HydrophobicContact CG1-CG 4.15Å; V84-Q216 PolarHBondContact O-N 2.79Å; N85-Q216 HydrophobicContact CB-CB 4.06Å; Q216-P220 WeakPolarHBondContact O-CB 3.28Å
217S90.9Very high90Very high115 Ų11561.8 Ų61.880%0.80434%0.343SS*.SBendtrans-60.9139.9175.7-54.60000112W215W215-S217 PolarHBondContact O-N 2.97Å
218G88.8Confident89.4Confident71 Ų7161.4 Ų61.473%0.73234%0.34SS*.SBendtrans95.3-99.6-179.100000111.8P220G218-P220 VanDerWaalsContact O-CD 3.3Å; G218-P220 WeakPolarHBondContact O-CD 3.38Å
219D86.5Confident88.7Confident83 Ų8365.6 Ų65.644%0.44437%0.367SS..  trans-118.683.4-175.7-169.413.6000111.2N85 Q222N85-D219 PolarHBondContact ND2-O 3.44Å; D219-Q222 VanDerWaalsContact OD2-CG 3.29Å; D219-Q222 WeakPolarHBondContact OD2-CG 3.32Å
220P89.8Confident88.3Confident2 Ų264.6 Ų64.61%0.01336%0.359CS..SBendtrans-74.3-27-175.426.2-32.1000113.5N85 I86 W215 Q216 G218 Y240N85-P220 PolarHBondContact ND2-O 2.99Å; N85-P220 VanDerWaalsContact ND2-O 3.17Å; I86-P220 PolarHBondContact N-O 3.11Å; W215-P220 HydrophobicContact CB-CB 3.82Å; W215-P220 HydrophobicContact CB-CG 4.22Å; W215-P220 HydrophobicContact CD2-CB 4.12Å; W215-P220 HydrophobicContact CE3-CB 3.73Å; W215-P220 HydrophobicContact CG-CB 4.2Å; Q216-P220 WeakPolarHBondContact O-CB 3.28Å; G218-P220 VanDerWaalsContact O-CD 3.3Å; G218-P220 WeakPolarHBondContact O-CD 3.38Å; P220-Y240 HydrophobicContact CG-CD1 4.2Å; P220-Y240 HydrophobicContact CG-CD2 3.71Å; P220-Y240 HydrophobicContact CG-CE1 3.85Å; P220-Y240 HydrophobicContact CG-CE2 3.32Å; P220-Y240 HydrophobicContact CG-CG 4.14Å
221V91.9Very high88Confident11 Ų1162.6 Ų62.67%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-124.9100.9-177.7-174.60000109.8I86 I88 W215 I238 Y240 V258I86-V221 WeakPolarHBondContact O-CA 3.26Å; I88-V221 HydrophobicContact CD1-CG1 3.86Å; W215-V221 HydrophobicContact CH2-CG2 4.34Å; W215-V221 HydrophobicContact CZ3-CG2 4.17Å; V221-I238 HydrophobicContact CG1-CG2 4Å; V221-Y240 HydrophobicContact CB-CD1 4.35Å; V221-Y240 HydrophobicContact CG2-CD1 4.04Å; V221-Y240 HydrophobicContact CG2-CG 4.21Å; V221-V258 HydrophobicContact CG1-CG1 4.13Å; V221-V258 HydrophobicContact CG2-CG1 4.3Å; V221-V258 HydrophobicContact CG2-CG2 3.8Å
222Q90.9Very high87.7Confident52 Ų5265.9 Ų65.924%0.24337%0.366CS..EExtended strand (participates in β ladder)trans-94.8133.3-178.2-70.9169.8-1800110.3I86 F87 I88 D219I86-Q222 PolarHBondContact O-N 2.71Å; F87-Q222 HydrophobicContact CB-CB 4.38Å; F87-Q222 HydrophobicContact CD2-CB 3.45Å; F87-Q222 VanDerWaalsContact CD2-CB 3.45Å; F87-Q222 HydrophobicContact CD2-CG 4.42Å; F87-Q222 HydrophobicContact CE2-CB 4.1Å; F87-Q222 HydrophobicContact CG-CB 4.25Å; I88-Q222 PolarHBondContact N-O 2.73Å; D219-Q222 VanDerWaalsContact OD2-CG 3.29Å; D219-Q222 WeakPolarHBondContact OD2-CG 3.32Å
223L88.1Confident87.3Confident16 Ų1661.6 Ų61.68%0.08435%0.351CS..EExtended strand (participates in β ladder)trans-123.5123.3176.5-173.870.2000110.1I88 I226 I233 K235 I238I88-L223 HydrophobicContact CB-CD1 3.57Å; I88-L223 HydrophobicContact CD1-CD1 3.94Å; I88-L223 HydrophobicContact CG1-CD1 4.38Å; I88-L223 HydrophobicContact CG2-CD1 3.46Å; I88-L223 VanDerWaalsContact CG2-CD1 3.46Å; L223-I226 HydrophobicContact CD1-CD1 3.53Å; L223-I226 HydrophobicContact CG-CD1 4.35Å; L223-I233 HydrophobicContact CD2-CG2 4.22Å; L223-K235 WeakPolarHBondContact O-CE 3.17Å; L223-K235 PolarHBondContact O-NZ 2.75Å; L223-K235 VanDerWaalsContact O-NZ 3.08Å; L223-I238 HydrophobicContact CB-CD1 3.92Å; L223-I238 HydrophobicContact CD2-CD1 3.62Å; L223-I238 HydrophobicContact CG-CD1 4.24Å
224E80.8Confident86.7Confident109 Ų10965.4 Ų65.451%0.50937%0.368SS..  trans-72.2155.2167.1-170165.8-168.500110.4F87 I226F87-E224 HydrophobicContact CZ-CB 4.22Å; E224-I226 WeakPolarHBondContact O-CG1 3.47Å; E224-I226 PolarHBondContact O-N 2.98Å
225K75.1Confident86Confident205 Ų20569.2 Ų69.289%0.89138%0.382SS*.  trans-62.7103.7176.7-74.2-175179.8-178.70109.3
226I79.9Confident85.4Confident45 Ų4574.6 Ų74.623%0.23141%0.409CS..  trans-112132.6-179.9-66.4152.1000107.9I88 F91 L223 E224 L228I88-I226 HydrophobicContact CG2-CD1 4.14Å; F91-I226 HydrophobicContact CB-CG2 4.23Å; L223-I226 HydrophobicContact CD1-CD1 3.53Å; L223-I226 HydrophobicContact CG-CD1 4.35Å; E224-I226 WeakPolarHBondContact O-CG1 3.47Å; E224-I226 PolarHBondContact O-N 2.98Å; I226-L228 HydrophobicContact CG2-CG 4.37Å
227A75.6Confident85.1Confident98 Ų9871.7 Ų71.781%0.8140%0.396SS*.  trans-104.3120.4169.100000108.3
228L83.4Confident85.1Confident19 Ų1967.2 Ų67.210%0.09936%0.362CS..  trans-97.1142.1171.6-75.9172000109.3F91 G92 I226 Q230 F231 I233F91-L228 HydrophobicContact CB-CD1 4.02Å; F91-L228 HydrophobicContact CB-CD2 4Å; F91-L228 HydrophobicContact CB-CG 4.24Å; F91-L228 HydrophobicContact CD1-CD1 3.6Å; F91-L228 HydrophobicContact CD1-CD2 4.14Å; F91-L228 HydrophobicContact CD1-CG 4.45Å; F91-L228 HydrophobicContact CE1-CD1 4.32Å; F91-L228 HydrophobicContact CG-CD1 3.98Å; F91-L228 WeakPolarHBondContact O-CD2 3.35Å; G92-L228 WeakPolarHBondContact O-CD2 3.42Å; I226-L228 HydrophobicContact CG2-CG 4.37Å; L228-Q230 PolarHBondContact O-N 3.41Å; L228-F231 WeakPolarHBondContact CB-O 3.33Å; L228-F231 HydrophobicContact CD1-CB 4.25Å; L228-I233 HydrophobicContact CD1-CD1 3.46Å; L228-I233 VanDerWaalsContact CD1-CD1 3.46Å; L228-I233 HydrophobicContact CD1-CG1 3.84Å
229P79.6Confident85.3Confident116 Ų11668.3 Ų68.375%0.75335%0.349SS*.SBendtrans-67.8-33.3-179.4-23.233.8000114.4
230Q84.4Confident85.6Confident86 Ų8669.7 Ų69.740%0.40235%0.348SS..SBendtrans-109.5-21.1-171.1-70.2174.8-15.400113.7L228 Q265L228-Q230 PolarHBondContact O-N 3.41Å; Q230-Q265 PolarHBondContact O-N 2.91Å
231F89.1Confident85.7Confident3 Ų370.8 Ų70.81%0.01336%0.36CS..EExtended strand (participates in β ladder)trans-130.4157.4-175.5-69.4-92.9000110.1I94 Q195 L228 L262 R263 R264I94-F231 HydrophobicContact CB-CD2 4.26Å; I94-F231 HydrophobicContact CB-CE2 3.84Å; I94-F231 HydrophobicContact CD1-CB 4.08Å; I94-F231 HydrophobicContact CD1-CD1 4.23Å; I94-F231 HydrophobicContact CD1-CD2 3.24Å; I94-F231 HydrophobicContact CD1-CE2 3.58Å; I94-F231 HydrophobicContact CD1-CG 3.59Å; I94-F231 HydrophobicContact CD1-CZ 4.19Å; I94-F231 HydrophobicContact CG1-CD2 4.34Å; I94-F231 HydrophobicContact CG1-CE2 4.33Å; I94-F231 HydrophobicContact CG2-CE2 4.02Å; I94-F231 HydrophobicContact CG2-CZ 4.21Å; Q195-F231 HydrophobicContact CG-CE1 4.35Å; L228-F231 WeakPolarHBondContact CB-O 3.33Å; L228-F231 HydrophobicContact CD1-CB 4.25Å; F231-L262 HydrophobicContact CD1-CB 3.88Å; F231-L262 HydrophobicContact CE1-CB 4.46Å; F231-R263 CarbonylContact C-O 3.45Å; F231-R263 VanDerWaalsContact CA-O 3.24Å; F231-R263 WeakPolarHBondContact CA-O 3.35Å; F231-R264 HydrophobicContact CD1-CB 4.22Å; F231-R264 HydrophobicContact CE1-CB 4.04Å; F231-R264 HydrophobicContact CE1-CG 4.42Å; F231-R264 VanDerWaalsContact CZ-CZ 3.42Å
232D88.1Confident85.8Confident69 Ų6975.5 Ų75.537%0.36939%0.385SS..EExtended strand (participates in β ladder)trans-114.3139.2168.2-170.325.6000109.2R263D232-R263 PolarHBondContact N-O 2.96Å; D232-R263 PolarHBondContact O-N 3.47Å; D232-R263 VanDerWaalsContact O-N 3.14Å
233I88.1Confident85.8Confident22 Ų2274 Ų7411%0.11338%0.381CS..  trans-132116.5178.1-48-176.7000107.7F91 L223 L228 L262F91-I233 HydrophobicContact CB-CD1 4.38Å; F91-I233 HydrophobicContact CD1-CD1 4.1Å; F91-I233 HydrophobicContact CD2-CD1 3.66Å; F91-I233 HydrophobicContact CE1-CD1 4.27Å; F91-I233 HydrophobicContact CE2-CD1 3.85Å; F91-I233 HydrophobicContact CG-CD1 3.78Å; F91-I233 HydrophobicContact CZ-CD1 4.15Å; L223-I233 HydrophobicContact CD2-CG2 4.22Å; L228-I233 HydrophobicContact CD1-CD1 3.46Å; L228-I233 VanDerWaalsContact CD1-CD1 3.46Å; L228-I233 HydrophobicContact CD1-CG1 3.84Å; I233-L262 HydrophobicContact CD1-CD2 3.2Å; I233-L262 HydrophobicContact CG1-CD2 3.39Å
234K84.1Confident86.1Confident83 Ų8377.6 Ų77.636%0.36140%0.403SS..  trans-97.4157.2173-56-178.7-178.8-179.70110.3E236 D237K234-E236 HydrophobicContact CB-CG 3.74Å; K234-E236 HydrophobicContact CD-CG 4.29Å; K234-E236 WeakPolarHBondContact CD-OE1 3.45Å; K234-E236 IonicContact NZ-OE1 3.88Å; K234-E236 PolarHBondContact O-N 3.01Å; K234-D237 HydrophobicContact CB-CB 4.37Å; K234-D237 WeakPolarHBondContact CB-OD2 3.44Å; K234-D237 WeakPolarHBondContact O-CB 3.44Å; K234-D237 PolarHBondContact O-N 2.9Å; K234-D237 VanDerWaalsContact O-N 3.11Å
235K81Confident86.7Confident139 Ų13976 Ų7660%0.60439%0.394SS*.G310 helixtrans-63.2-34.1176.5-67.1-170.8175.8-161.20112.5L223 D237 I238L223-K235 WeakPolarHBondContact O-CE 3.17Å; L223-K235 PolarHBondContact O-NZ 2.75Å; L223-K235 VanDerWaalsContact O-NZ 3.08Å; K235-D237 PolarHBondContact O-N 3.17Å; K235-I238 PolarHBondContact O-N 3.02Å
236E83.7Confident87.7Confident143 Ų14372.6 Ų72.667%0.66838%0.377SS*.G310 helixtrans-67.3-20.9175.661.4-168.8-170.500113.4K234 I238K234-E236 HydrophobicContact CB-CG 3.74Å; K234-E236 HydrophobicContact CD-CG 4.29Å; K234-E236 WeakPolarHBondContact CD-OE1 3.45Å; K234-E236 IonicContact NZ-OE1 3.88Å; K234-E236 PolarHBondContact O-N 3.01Å; E236-I238 VanDerWaalsContact C-N 3.28Å; E236-I238 PolarHBondContact O-N 3.17Å
237D86.8Confident88.3Confident18 Ų1875.5 Ų75.510%0.09639%0.385CS..G310 helixtrans-89.38.4-178-74.9-40.3000112.3K234 K235 T261 R263K234-D237 HydrophobicContact CB-CB 4.37Å; K234-D237 WeakPolarHBondContact CB-OD2 3.44Å; K234-D237 WeakPolarHBondContact O-CB 3.44Å; K234-D237 PolarHBondContact O-N 2.9Å; K234-D237 VanDerWaalsContact O-N 3.11Å; K235-D237 PolarHBondContact O-N 3.17Å; D237-T261 WeakPolarHBondContact O-CB 3.42Å; D237-T261 PolarHBondContact O-N 3.29Å; D237-T261 PolarHBondContact O-OG1 3.01Å; D237-R263 IonicContact OD1-CZ 2.89Å; D237-R263 IonicContact OD1-NE 2.89Å; D237-R263 IonicContact OD1-NH2 2.75Å; D237-R263 PolarHBondContact OD1-NH2 3.06Å; D237-R263 IonicContact OD2-CZ 3.54Å; D237-R263 IonicContact OD2-NE 3.62Å; D237-R263 IonicContact OD2-NH2 3.29Å; D237-R263 PolarHBondContact OD2-NH2 3.47Å
238I90.9Very high89.1Confident21 Ų2180.2 Ų80.211%0.10839%0.388CS..EExtended strand (participates in β ladder)trans-104.8114.4176.8-53.8173.1000109.5V221 L223 K235 E236 V258 F260V221-I238 HydrophobicContact CG1-CG2 4Å; L223-I238 HydrophobicContact CB-CD1 3.92Å; L223-I238 HydrophobicContact CD2-CD1 3.62Å; L223-I238 HydrophobicContact CG-CD1 4.24Å; K235-I238 PolarHBondContact O-N 3.02Å; E236-I238 VanDerWaalsContact C-N 3.28Å; E236-I238 PolarHBondContact O-N 3.17Å; I238-V258 HydrophobicContact CG2-CG1 3.68Å; I238-F260 HydrophobicContact CG1-CD1 4.21Å; I238-F260 HydrophobicContact CG2-CD1 4.35Å; I238-F260 HydrophobicContact CG2-CE1 4.2Å
239E93.2Very high89.5Confident95 Ų9583 Ų8344%0.44442%0.421SS..EExtended strand (participates in β ladder)trans-104.7148.8173.3-59.3169.1173.800109.3R196 V258 I259R196-E239 IonicContact NH2-OE2 2.9Å; R196-E239 PolarHBondContact NH2-OE2 2.93Å; E239-V258 CarbonylContact O-C 3.46Å; E239-V258 WeakPolarHBondContact O-CA 3.38Å; E239-I259 HydrophobicContact CB-CB 4.23Å; E239-I259 PolarHBondContact N-O 2.92Å; E239-I259 PolarHBondContact O-N 2.85Å
240Y93.7Very high90.1Very high111 Ų11181.4 Ų81.444%0.43541%0.409SS..EExtended strand (participates in β ladder)trans-141.2148.4173.552.7-94.8000110.3W215 P220 V221 E257W215-Y240 HydrophobicContact CG-CD2 4.32Å; P220-Y240 HydrophobicContact CG-CD1 4.2Å; P220-Y240 HydrophobicContact CG-CD2 3.71Å; P220-Y240 HydrophobicContact CG-CE1 3.85Å; P220-Y240 HydrophobicContact CG-CE2 3.32Å; P220-Y240 HydrophobicContact CG-CG 4.14Å; V221-Y240 HydrophobicContact CB-CD1 4.35Å; V221-Y240 HydrophobicContact CG2-CD1 4.04Å; V221-Y240 HydrophobicContact CG2-CG 4.21Å; Y240-E257 VanDerWaalsContact CA-O 3.29Å; Y240-E257 WeakPolarHBondContact CA-O 3.29Å
241G92.1Very high90.6Very high26 Ų2678.3 Ų78.327%0.26840%0.4SS..EExtended strand (participates in β ladder)trans-158164.5-175.700000113.3W215 V256 E257W215-G241 PolarHBondContact NE1-O 2.85Å; G241-V256 WeakPolarHBondContact O-CA 3.24Å; G241-E257 PolarHBondContact N-O 3.47Å; G241-E257 PolarHBondContact O-N 2.95Å
242N93.3Very high90.9Very high109 Ų10984.5 Ų84.558%0.58343%0.425SS*.EExtended strand (participates in β ladder)trans-93.4141.9170.8-62-12.7000108.7
243C92.1Very high91.3Very high22 Ų2282.2 Ų82.215%0.14941%0.411CS..EExtended strand (participates in β ladder)trans-131.8160.8177.632.40000110.1C255C243-C255 CarbonylContact C-O 3.51Å; C243-C255 HydrophobicContact CB-CB 3.74Å; C243-C255 WeakPolarHBondContact CB-SG 3.32Å; C243-C255 PolarHBondContact N-O 3Å; C243-C255 CarbonylContact O-C 3.59Å; C243-C255 WeakPolarHBondContact O-CA 3.07Å; C243-C255 WeakPolarHBondContact O-CB 3.43Å; C243-C255 PolarHBondContact O-N 3.44Å; C243-C255 WeakPolarHBondContact SG-CB 3.45Å; C243-C255 PolarHBondContact SG-O 3.37Å; C243-C255 VanDerWaalsContact SG-O 3.33Å; C243-C255 CovalentContact SG-SG 2.05Å; C243-C255 PolarHBondContact SG-SG 3.04Å
244T94.3Very high91.6Very high90 Ų9081.7 Ų81.755%0.55241%0.409SS*.EExtended strand (participates in β ladder)trans-133.6129.2170.2-52.60000107.6T208 Y252 Y253T208-T244 HydrophobicContact CG2-CG2 3.93Å; T244-Y252 HydrophobicContact CG2-CD1 3.98Å; T244-Y252 HydrophobicContact CG2-CG 4.47Å; T244-Y253 WeakPolarHBondContact CA-O 3.4Å; T244-Y253 WeakPolarHBondContact CG2-O 3.44Å
245K93.1Very high92.2Very high75 Ų7577.8 Ų77.833%0.32639%0.392SS..EExtended strand (participates in β ladder)trans-107.4138.2179-63.4-65.1-174.7177.30109E202 Y247 Y252 Y253 C255E202-K245 WeakPolarHBondContact OE1-CB 3.2Å; E202-K245 WeakPolarHBondContact OE1-CG 3.34Å; K245-Y247 HydrophobicContact CB-CE2 3.96Å; K245-Y252 CarbonylContact O-C 3.59Å; K245-Y252 WeakPolarHBondContact O-CA 3.06Å; K245-Y253 PolarHBondContact N-O 3.23Å; K245-Y253 PolarHBondContact O-N 2.97Å; K245-C255 HydrophobicContact CG-CB 4.21Å
246Y94.6Very high92.9Very high135 Ų13571.1 Ų71.153%0.52936%0.363SS..EExtended strand (participates in β ladder)trans-109.4121.9175.3176.5-104.9000109.1Y252Y246-Y252 AromaticContact CD2-CD1 3.8Å; Y246-Y252 HydrophobicContact CD2-CD1 3.8Å; Y246-Y252 HydrophobicContact CD2-CD2 4.01Å; Y246-Y252 AromaticContact CD2-CE1 3.56Å; Y246-Y252 HydrophobicContact CD2-CE1 3.56Å; Y246-Y252 AromaticContact CD2-CE2 3.77Å; Y246-Y252 HydrophobicContact CD2-CE2 3.77Å; Y246-Y252 HydrophobicContact CD2-CG 4.02Å; Y246-Y252 AromaticContact CD2-CZ 3.54Å; Y246-Y252 HydrophobicContact CE2-CD2 4.47Å; Y246-Y252 HydrophobicContact CE2-CE2 4.06Å; Y246-Y252 HydrophobicContact CG-CD1 4.26Å; Y246-Y252 AromaticContact CG-CE1 3.91Å; Y246-Y252 HydrophobicContact CG-CE1 3.91Å
247Y93.4Very high93.5Very high105 Ų10566 Ų6641%0.41234%0.339SS..EExtended strand (participates in β ladder)trans-110.3126.2172-62.3-73.8000109.8E202 K245 G249 T250 G251 Y253E202-Y247 WeakPolarHBondContact OE1-CE2 3.48Å; E202-Y247 PolarHBondContact OE1-OH 3.5Å; E202-Y247 PolarHBondContact OE2-OH 3.01Å; K245-Y247 HydrophobicContact CB-CE2 3.96Å; Y247-G249 PolarHBondContact O-N 3.28Å; Y247-G249 VanDerWaalsContact O-N 3.09Å; Y247-T250 WeakPolarHBondContact CB-OG1 3.3Å; Y247-T250 PolarHBondContact O-N 3.34Å; Y247-G251 PolarHBondContact N-O 3.41Å; Y247-G251 PolarHBondContact O-N 3.28Å; Y247-Y253 AromaticContact CD2-CD2 3.55Å; Y247-Y253 HydrophobicContact CD2-CD2 3.55Å; Y247-Y253 AromaticContact CD2-CE2 3.95Å; Y247-Y253 HydrophobicContact CD2-CE2 3.95Å; Y247-Y253 HydrophobicContact CD2-CG 4.24Å; Y247-Y253 HydrophobicContact CE2-CD2 4.13Å; Y247-Y253 HydrophobicContact CE2-CG 4.38Å
248K92.4Very high93.9Very high198 Ų19865.2 Ų65.286%0.86134%0.335SS*.THydrogen-bonded Turntrans-63.1113.8179-172.8-179.8-179.5-179.10109.4
249G91.4Very high94.1Very high78 Ų7865 Ų6580%0.80433%0.334SS*.THydrogen-bonded Turntrans110-27.9177.200000114.7Y247Y247-G249 PolarHBondContact O-N 3.28Å; Y247-G249 VanDerWaalsContact O-N 3.09Å
250T91.9Very high94.1Very high81 Ų8160.5 Ų60.550%0.49731%0.313SS..THydrogen-bonded Turntrans-114.3-20.3-178.655.70000114Y247 Y253Y247-T250 WeakPolarHBondContact CB-OG1 3.3Å; Y247-T250 PolarHBondContact O-N 3.34Å; T250-Y253 WeakPolarHBondContact CB-OH 3.04Å; T250-Y253 WeakPolarHBondContact OG1-CE2 3.15Å
251G94.6Very high94.1Very high21 Ų2156.1 Ų56.122%0.21630%0.297CS..EExtended strand (participates in β ladder)trans108.8-153170.400000114.2Y247Y247-G251 PolarHBondContact N-O 3.41Å; Y247-G251 PolarHBondContact O-N 3.28Å
252Y96.1Very high94.1Very high133 Ų13354.9 Ų54.952%0.52229%0.285SS..EExtended strand (participates in β ladder)trans-95133.9-177.9-67.2-84.4000111.4T207 T208 T244 K245 Y246T207-Y252 CarbonylContact C-O 3.57Å; T207-Y252 WeakPolarHBondContact CA-O 3.43Å; T207-Y252 VanDerWaalsContact CB-O 3.29Å; T207-Y252 WeakPolarHBondContact CB-O 3.48Å; T208-Y252 PolarHBondContact N-O 3.05Å; T244-Y252 HydrophobicContact CG2-CD1 3.98Å; T244-Y252 HydrophobicContact CG2-CG 4.47Å; K245-Y252 CarbonylContact O-C 3.59Å; K245-Y252 WeakPolarHBondContact O-CA 3.06Å; Y246-Y252 AromaticContact CD2-CD1 3.8Å; Y246-Y252 HydrophobicContact CD2-CD1 3.8Å; Y246-Y252 HydrophobicContact CD2-CD2 4.01Å; Y246-Y252 AromaticContact CD2-CE1 3.56Å; Y246-Y252 HydrophobicContact CD2-CE1 3.56Å; Y246-Y252 AromaticContact CD2-CE2 3.77Å; Y246-Y252 HydrophobicContact CD2-CE2 3.77Å; Y246-Y252 HydrophobicContact CD2-CG 4.02Å; Y246-Y252 AromaticContact CD2-CZ 3.54Å; Y246-Y252 HydrophobicContact CE2-CD2 4.47Å; Y246-Y252 HydrophobicContact CE2-CE2 4.06Å; Y246-Y252 HydrophobicContact CG-CD1 4.26Å; Y246-Y252 AromaticContact CG-CE1 3.91Å; Y246-Y252 HydrophobicContact CG-CE1 3.91Å
253Y96.2Very high94.1Very high21 Ų2154.6 Ų54.68%0.08228%0.276CS..EExtended strand (participates in β ladder)trans-120.5139.7-179.6-71.5-98.9000110.6S203 Y206 T207 T244 K245 Y247 T250S203-Y253 WeakPolarHBondContact O-CD1 3.39Å; Y206-Y253 WeakPolarHBondContact O-CD1 3.34Å; T207-Y253 HydrophobicContact CG2-CE2 4.45Å; T244-Y253 WeakPolarHBondContact CA-O 3.4Å; T244-Y253 WeakPolarHBondContact CG2-O 3.44Å; K245-Y253 PolarHBondContact N-O 3.23Å; K245-Y253 PolarHBondContact O-N 2.97Å; Y247-Y253 AromaticContact CD2-CD2 3.55Å; Y247-Y253 HydrophobicContact CD2-CD2 3.55Å; Y247-Y253 AromaticContact CD2-CE2 3.95Å; Y247-Y253 HydrophobicContact CD2-CE2 3.95Å; Y247-Y253 HydrophobicContact CD2-CG 4.24Å; Y247-Y253 HydrophobicContact CE2-CD2 4.13Å; Y247-Y253 HydrophobicContact CE2-CG 4.38Å; T250-Y253 WeakPolarHBondContact CB-OH 3.04Å; T250-Y253 WeakPolarHBondContact OG1-CE2 3.15Å
254T95.7Very high94.1Very high11 Ų1154.5 Ų54.57%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-74140.1176.5-175.20000110.3S203 L211 F213S203-T254 PolarHBondContact N-O 3.32Å; L211-T254 HydrophobicContact CD2-CG2 3.89Å; L211-T254 VanDerWaalsContact O-CG2 3.26Å; L211-T254 WeakPolarHBondContact O-CG2 3.49Å; F213-T254 HydrophobicContact CB-CG2 4.4Å; F213-T254 HydrophobicContact CD2-CG2 3.55Å; F213-T254 HydrophobicContact CE2-CG2 4.01Å; F213-T254 HydrophobicContact CG-CG2 4.1Å; F213-T254 PolarHBondContact N-OG1 3.09Å
255C95.2Very high93.9Very high1 Ų154.8 Ų54.81%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-140.8145-178160.50000109.1L201 C243 K245L201-C255 CarbonylContact O-C 3.57Å; L201-C255 WeakPolarHBondContact O-CA 3.48Å; C243-C255 CarbonylContact C-O 3.51Å; C243-C255 HydrophobicContact CB-CB 3.74Å; C243-C255 WeakPolarHBondContact CB-SG 3.32Å; C243-C255 PolarHBondContact N-O 3Å; C243-C255 CarbonylContact O-C 3.59Å; C243-C255 WeakPolarHBondContact O-CA 3.07Å; C243-C255 WeakPolarHBondContact O-CB 3.43Å; C243-C255 PolarHBondContact O-N 3.44Å; C243-C255 WeakPolarHBondContact SG-CB 3.45Å; C243-C255 PolarHBondContact SG-O 3.37Å; C243-C255 VanDerWaalsContact SG-O 3.33Å; C243-C255 CovalentContact SG-SG 2.05Å; C243-C255 PolarHBondContact SG-SG 3.04Å; K245-C255 HydrophobicContact CG-CB 4.21Å
256V96Very high93.9Very high0 Ų053.7 Ų53.70%027%0.267CS..EExtended strand (participates in β ladder)trans-130.8137.9167.2-67.10000108.4L201 F213 W215 G241L201-V256 HydrophobicContact CB-CG2 3.84Å; L201-V256 HydrophobicContact CD1-CG2 4.4Å; L201-V256 PolarHBondContact N-O 3.44Å; L201-V256 PolarHBondContact O-N 3.14Å; F213-V256 HydrophobicContact CB-CG1 3.67Å; F213-V256 HydrophobicContact CB-CG2 4.19Å; W215-V256 HydrophobicContact CH2-CB 4.36Å; W215-V256 HydrophobicContact CH2-CG2 4.14Å; W215-V256 HydrophobicContact CZ2-CB 3.61Å; W215-V256 HydrophobicContact CZ2-CG2 3.89Å; G241-V256 WeakPolarHBondContact O-CA 3.24Å
257E95.8Very high93.7Very high36 Ų3649.4 Ų49.417%0.16826%0.264CS..EExtended strand (participates in β ladder)trans-130.4147.4-178.166.9177.6-161.700112.4M199 Q200 Y240 G241M199-E257 VanDerWaalsContact O-CA 3.28Å; M199-E257 WeakPolarHBondContact O-CA 3.26Å; Q200-E257 HydrophobicContact CG-CB 4.02Å; Q200-E257 PolarHBondContact NE2-OE2 2.98Å; Y240-E257 VanDerWaalsContact CA-O 3.29Å; Y240-E257 WeakPolarHBondContact CA-O 3.29Å; G241-E257 PolarHBondContact N-O 3.47Å; G241-E257 PolarHBondContact O-N 2.95Å
258V95.7Very high93.6Very high0 Ų051.6 Ų51.60%028%0.276CS..EExtended strand (participates in β ladder)trans-117.3132.7170.6-174.10000107.6I86 K198 M199 W215 V221 I238 E239 F260I86-V258 HydrophobicContact CD1-CG2 4.27Å; K198-V258 CarbonylContact C-O 3.55Å; K198-V258 WeakPolarHBondContact CA-O 3.43Å; M199-V258 HydrophobicContact CB-CB 4.43Å; M199-V258 HydrophobicContact CE-CB 3.92Å; M199-V258 HydrophobicContact CE-CG2 3.8Å; M199-V258 PolarHBondContact N-O 3.39Å; M199-V258 PolarHBondContact O-N 3.14Å; W215-V258 HydrophobicContact CH2-CG2 3.43Å; W215-V258 VanDerWaalsContact CH2-CG2 3.43Å; W215-V258 HydrophobicContact CZ2-CG2 3.66Å; W215-V258 HydrophobicContact CZ3-CG2 4.44Å; V221-V258 HydrophobicContact CG1-CG1 4.13Å; V221-V258 HydrophobicContact CG2-CG1 4.3Å; V221-V258 HydrophobicContact CG2-CG2 3.8Å; I238-V258 HydrophobicContact CG2-CG1 3.68Å; E239-V258 CarbonylContact O-C 3.46Å; E239-V258 WeakPolarHBondContact O-CA 3.38Å; V258-F260 HydrophobicContact CB-CE2 4.49Å; V258-F260 HydrophobicContact CB-CZ 4.25Å; V258-F260 HydrophobicContact CG1-CD1 4.39Å; V258-F260 HydrophobicContact CG1-CE1 3.71Å; V258-F260 HydrophobicContact CG1-CE2 4.17Å; V258-F260 HydrophobicContact CG1-CZ 3.6Å
259I95.1Very high93.6Very high16 Ų1643.5 Ų43.58%0.08224%0.24CC..EExtended strand (participates in β ladder)trans-115.3120.3-179.7-48.6178.2000108.1R196 K198 E239R196-I259 HydrophobicContact CB-CG2 4.31Å; K198-I259 HydrophobicContact CG-CG1 4.2Å; K198-I259 HydrophobicContact CG-CG2 4.4Å; E239-I259 HydrophobicContact CB-CB 4.23Å; E239-I259 PolarHBondContact N-O 2.92Å; E239-I259 PolarHBondContact O-N 2.85Å
260F93.9Very high93.6Very high1 Ų142.9 Ų42.90%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-98.4119.3176-56.5-69.3000109.5I88 F91 Y101 R196 C197 M199 I238 V258 L262I88-F260 HydrophobicContact CD1-CE1 3.43Å; I88-F260 VanDerWaalsContact CD1-CE1 3.43Å; I88-F260 HydrophobicContact CD1-CZ 3.71Å; F91-F260 HydrophobicContact CE2-CD1 4.47Å; F91-F260 HydrophobicContact CE2-CD2 4.29Å; F91-F260 HydrophobicContact CE2-CG 4.23Å; Y101-F260 HydrophobicContact CE2-CD2 4.29Å; Y101-F260 HydrophobicContact CE2-CE2 4.34Å; R196-F260 CarbonylContact C-O 3.59Å; R196-F260 WeakPolarHBondContact CA-O 3.21Å; C197-F260 PolarHBondContact N-O 3.06Å; C197-F260 WeakPolarHBondContact O-CD2 3.41Å; C197-F260 PolarHBondContact O-N 3.09Å; M199-F260 HydrophobicContact CB-CE2 4Å; M199-F260 HydrophobicContact CE-CE2 4.22Å; M199-F260 HydrophobicContact CE-CZ 3.98Å; I238-F260 HydrophobicContact CG1-CD1 4.21Å; I238-F260 HydrophobicContact CG2-CD1 4.35Å; I238-F260 HydrophobicContact CG2-CE1 4.2Å; V258-F260 HydrophobicContact CB-CE2 4.49Å; V258-F260 HydrophobicContact CB-CZ 4.25Å; V258-F260 HydrophobicContact CG1-CD1 4.39Å; V258-F260 HydrophobicContact CG1-CE1 3.71Å; V258-F260 HydrophobicContact CG1-CE2 4.17Å; V258-F260 HydrophobicContact CG1-CZ 3.6Å; F260-L262 HydrophobicContact CB-CD2 4.03Å; F260-L262 HydrophobicContact CB-CG 4.3Å
261T94Very high93.6Very high19 Ų1946.3 Ų46.312%0.11723%0.229CC..EExtended strand (participates in β ladder)trans-91.4110.1169.4-54.80000109T194 Q195 D237T194-T261 HydrophobicContact CG2-CG2 3.47Å; T194-T261 VanDerWaalsContact CG2-CG2 3.47Å; Q195-T261 CarbonylContact O-C 3.6Å; Q195-T261 WeakPolarHBondContact O-CA 3.38Å; D237-T261 WeakPolarHBondContact O-CB 3.42Å; D237-T261 PolarHBondContact O-N 3.29Å; D237-T261 PolarHBondContact O-OG1 3.01Å
262L92.4Very high93.4Very high0 Ų047 Ų470%024%0.236CC..EExtended strand (participates in β ladder)trans-107.4121.7-173-51.4171000109F91 I94 T194 Q195 C197 F231 I233 F260F91-L262 HydrophobicContact CE1-CD2 4.48Å; F91-L262 HydrophobicContact CZ-CD1 4.34Å; F91-L262 HydrophobicContact CZ-CD2 4.07Å; I94-L262 HydrophobicContact CD1-CD1 3.74Å; I94-L262 HydrophobicContact CG1-CD1 4.39Å; T194-L262 CarbonylContact C-O 3.55Å; T194-L262 WeakPolarHBondContact CA-O 3.33Å; Q195-L262 HydrophobicContact CB-CB 4.32Å; Q195-L262 PolarHBondContact N-O 2.84Å; Q195-L262 PolarHBondContact O-N 3.28Å; C197-L262 HydrophobicContact CB-CD1 4.06Å; C197-L262 VanDerWaalsContact SG-CD1 3.59Å; F231-L262 HydrophobicContact CD1-CB 3.88Å; F231-L262 HydrophobicContact CE1-CB 4.46Å; I233-L262 HydrophobicContact CD1-CD2 3.2Å; I233-L262 HydrophobicContact CG1-CD2 3.39Å; F260-L262 HydrophobicContact CB-CD2 4.03Å; F260-L262 HydrophobicContact CB-CG 4.3Å
263R92Very high93.3Very high104 Ų10440.9 Ų40.939%0.39221%0.212SC..EExtended strand (participates in β ladder)trans-103.8128.8177.9-59.4-177.6-158.7-174.65.2109.9T194 F231 D232 D237T194-R263 HydrophobicContact CG2-CG 4.07Å; F231-R263 CarbonylContact C-O 3.45Å; F231-R263 VanDerWaalsContact CA-O 3.24Å; F231-R263 WeakPolarHBondContact CA-O 3.35Å; D232-R263 PolarHBondContact N-O 2.96Å; D232-R263 PolarHBondContact O-N 3.47Å; D232-R263 VanDerWaalsContact O-N 3.14Å; D237-R263 IonicContact OD1-CZ 2.89Å; D237-R263 IonicContact OD1-NE 2.89Å; D237-R263 IonicContact OD1-NH2 2.75Å; D237-R263 PolarHBondContact OD1-NH2 3.06Å; D237-R263 IonicContact OD2-CZ 3.54Å; D237-R263 IonicContact OD2-NE 3.62Å; D237-R263 IonicContact OD2-NH2 3.29Å; D237-R263 PolarHBondContact OD2-NH2 3.47Å
264R92.3Very high93.2Very high19 Ų1940.1 Ų40.17%0.07221%0.209CC..EExtended strand (participates in β ladder)trans-73.9140-179.5-169.8177.3-55.3-89.20.3111.6E96 P191 D193 F231 V266E96-R264 IonicContact OE1-CZ 2.79Å; E96-R264 IonicContact OE1-NH1 2.66Å; E96-R264 PolarHBondContact OE1-NH1 3.4Å; E96-R264 IonicContact OE1-NH2 3.39Å; P191-R264 VanDerWaalsContact O-CD 3.28Å; P191-R264 WeakPolarHBondContact O-CD 3.27Å; D193-R264 PolarHBondContact O-N 2.82Å; D193-R264 WeakPolarHBondContact OD1-CD 3.3Å; D193-R264 IonicContact OD1-CZ 3.66Å; D193-R264 IonicContact OD1-NE 2.78Å; D193-R264 PolarHBondContact OD1-NE 2.95Å; D193-R264 IonicContact OD1-NH2 2.72Å; D193-R264 IonicContact OD2-CZ 3.4Å; D193-R264 IonicContact OD2-NE 3.62Å; D193-R264 PolarHBondContact OD2-NE 3.34Å; D193-R264 IonicContact OD2-NH2 3.63Å; D193-R264 PolarHBondContact OD2-NH2 2.82Å; F231-R264 HydrophobicContact CD1-CB 4.22Å; F231-R264 HydrophobicContact CE1-CB 4.04Å; F231-R264 HydrophobicContact CE1-CG 4.42Å; F231-R264 VanDerWaalsContact CZ-CZ 3.42Å; R264-V266 PolarHBondContact O-N 2.84Å
265Q90.9Very high93.2Very high96 Ų9641.4 Ų41.445%0.44922%0.221SC..  trans-82.1109.3169.7-63.3-171.413.100110.2Q230 G267Q230-Q265 PolarHBondContact O-N 2.91Å; Q265-G267 PolarHBondContact O-N 3.14Å
266V91.4Very high93.2Very high53 Ų5343.7 Ų43.732%0.32124%0.236SC..  trans-77.5-16.5-172.7-62.20000114.7P191 M192 R264 F268 Y269 M270P191-V266 WeakPolarHBondContact O-CG1 3.13Å; M192-V266 HydrophobicContact CG-CG1 3.91Å; R264-V266 PolarHBondContact O-N 2.84Å; V266-F268 VanDerWaalsContact C-N 3.31Å; V266-F268 PolarHBondContact O-N 2.79Å; V266-Y269 PolarHBondContact O-N 2.79Å; V266-M270 HydrophobicContact CB-CG 4.42Å; V266-M270 HydrophobicContact CG2-CG 4.35Å; V266-M270 WeakPolarHBondContact O-CG 3.4Å; V266-M270 PolarHBondContact O-N 3.45Å
267G90.9Very high93.2Very high45 Ų4543.7 Ų43.746%0.46424%0.236SC..Hα-helixtrans-57.7-37.5-16800000114.8Q265 M270 M271Q265-G267 PolarHBondContact O-N 3.14Å; G267-M270 PolarHBondContact O-N 2.84Å; G267-M271 PolarHBondContact O-N 3.4Å
268F90.9Very high93.1Very high151 Ų15144.8 Ų44.866%0.66224%0.243SC*.Hα-helixtrans-60.7-47.4175.5172.1-99.2000111.9V266 G272V266-F268 VanDerWaalsContact C-N 3.31Å; V266-F268 PolarHBondContact O-N 2.79Å; F268-G272 WeakPolarHBondContact O-CA 3.5Å; F268-G272 PolarHBondContact O-N 3.05Å
269Y92.2Very high93Very high28 Ų2849.9 Ų49.911%0.1127%0.269CS..Hα-helixtrans-69.8-34.5179.9-63.4-79.7000112F190 P191 V266 V273 Y274F190-Y269 HydrophobicContact CE1-CD1 4.34Å; F190-Y269 AromaticContact CE1-CE1 3.93Å; F190-Y269 HydrophobicContact CE1-CE1 3.93Å; F190-Y269 HydrophobicContact CZ-CD1 4.31Å; F190-Y269 AromaticContact CZ-CE1 3.54Å; F190-Y269 HydrophobicContact CZ-CE1 3.54Å; F190-Y269 HydrophobicContact CZ-CE2 4.1Å; F190-Y269 AromaticContact CZ-CZ 3.42Å; F190-Y269 VanDerWaalsContact CZ-CZ 3.42Å; F190-Y269 WeakPolarHBondContact CZ-OH 3.46Å; P191-Y269 HydrophobicContact CB-CD1 4.43Å; P191-Y269 HydrophobicContact CB-CD2 3.5Å; P191-Y269 VanDerWaalsContact CB-CD2 3.5Å; P191-Y269 HydrophobicContact CB-CE2 3.95Å; P191-Y269 HydrophobicContact CB-CG 3.78Å; P191-Y269 HydrophobicContact CG-CD2 4.04Å; P191-Y269 HydrophobicContact CG-CG 3.88Å; V266-Y269 PolarHBondContact O-N 2.79Å; Y269-V273 HydrophobicContact CD1-CG2 4.23Å; Y269-V273 WeakPolarHBondContact O-CA 3.38Å; Y269-V273 WeakPolarHBondContact O-CB 3.2Å; Y269-V273 PolarHBondContact O-N 3.43Å; Y269-Y274 WeakPolarHBondContact O-CD2 3.14Å; Y269-Y274 PolarHBondContact O-N 3.18Å
270M92.6Very high93Very high64 Ų6450.6 Ų50.632%0.31527%0.273SS..Iπ-helixtrans-60.2-48.6176.5-67.8-60-69.900111.9M192 V266 G267 Y274 A275 W493M192-M270 HydrophobicContact CE-SD 4.45Å; V266-M270 HydrophobicContact CB-CG 4.42Å; V266-M270 HydrophobicContact CG2-CG 4.35Å; V266-M270 WeakPolarHBondContact O-CG 3.4Å; V266-M270 PolarHBondContact O-N 3.45Å; G267-M270 PolarHBondContact O-N 2.84Å; M270-Y274 HydrophobicContact SD-CD2 3.84Å; M270-Y274 HydrophobicContact SD-CE2 4.32Å; M270-Y274 HydrophobicContact SD-CG 4.26Å; M270-A275 WeakPolarHBondContact O-CB 3.45Å; M270-A275 PolarHBondContact O-N 3.04Å; M270-W493 HydrophobicContact CE-CH2 3.43Å; M270-W493 VanDerWaalsContact CE-CH2 3.43Å; M270-W493 HydrophobicContact CE-CZ2 4.26Å; M270-W493 HydrophobicContact CE-CZ3 3.71Å; M270-W493 HydrophobicContact SD-CH2 3.5Å; M270-W493 VanDerWaalsContact SD-CH2 3.5Å; M270-W493 HydrophobicContact SD-CZ3 3.77Å
271M92.3Very high93.1Very high153 Ų15350.5 Ų50.575%0.75427%0.273SS*.Iπ-helixtrans-82.7-34.1-178.6-66.6-62-176.600113.2G267 P276G267-M271 PolarHBondContact O-N 3.4Å; M271-P276 WeakPolarHBondContact O-CD 3.32Å
272G90.5Very high93Very high35 Ų3551.9 Ų51.936%0.36128%0.281SS..Iπ-helixtrans-85.7-29.2-175.100000114.4F268 P276F268-G272 WeakPolarHBondContact O-CA 3.5Å; F268-G272 PolarHBondContact O-N 3.05Å; G272-P276 WeakPolarHBondContact O-CG 3.29Å
273V93.3Very high92.9Very high5 Ų556 Ų563%0.0330%0.303CS..Iπ-helixtrans-122.3-56.1-172.9-177.20000112.1Y269 P276 T277 L316 L329 L333Y269-V273 HydrophobicContact CD1-CG2 4.23Å; Y269-V273 WeakPolarHBondContact O-CA 3.38Å; Y269-V273 WeakPolarHBondContact O-CB 3.2Å; Y269-V273 PolarHBondContact O-N 3.43Å; V273-P276 WeakPolarHBondContact O-CD 3.28Å; V273-T277 WeakPolarHBondContact O-CB 3.32Å; V273-T277 VanDerWaalsContact O-CG2 3.27Å; V273-T277 WeakPolarHBondContact O-CG2 3.07Å; V273-T277 PolarHBondContact O-N 3.19Å; V273-T277 PolarHBondContact O-OG1 2.04Å; V273-L316 HydrophobicContact CG1-CD1 3.5Å; V273-L316 HydrophobicContact CG1-CD2 4.46Å; V273-L316 HydrophobicContact CG2-CD1 4.24Å; V273-L316 HydrophobicContact CG2-CD2 3.7Å; V273-L329 HydrophobicContact CG1-CD1 3.93Å; V273-L333 HydrophobicContact CG1-CD2 4.39Å
274Y94.9Very high93Very high5 Ų551.1 Ų51.12%0.0228%0.284CS..Iπ-helixtrans-65.8-47.7-175.3-75.4-84.1000112.3P191 Y269 M270 T277 L278 L329 W332 Y492 W493P191-Y274 HydrophobicContact CG-CE2 4.14Å; Y269-Y274 WeakPolarHBondContact O-CD2 3.14Å; Y269-Y274 PolarHBondContact O-N 3.18Å; M270-Y274 HydrophobicContact SD-CD2 3.84Å; M270-Y274 HydrophobicContact SD-CE2 4.32Å; M270-Y274 HydrophobicContact SD-CG 4.26Å; Y274-T277 PolarHBondContact O-OG1 3.33Å; Y274-T277 VanDerWaalsContact O-OG1 3.11Å; Y274-L278 VanDerWaalsContact O-CB 3.23Å; Y274-L278 WeakPolarHBondContact O-CB 3.3Å; Y274-L278 PolarHBondContact O-N 2.05Å; Y274-L329 HydrophobicContact CE1-CD1 4.34Å; Y274-L329 HydrophobicContact CE2-CD1 3.92Å; Y274-W332 AromaticContact CD1-CD1 3.78Å; Y274-W332 AromaticContact CD1-CD2 3.53Å; Y274-W332 HydrophobicContact CD1-CD2 3.53Å; Y274-W332 AromaticContact CD1-CE2 3.43Å; Y274-W332 VanDerWaalsContact CD1-CE2 3.43Å; Y274-W332 HydrophobicContact CD1-CE3 4.07Å; Y274-W332 AromaticContact CD1-CG 3.78Å; Y274-W332 HydrophobicContact CD1-CG 3.78Å; Y274-W332 HydrophobicContact CD1-CH2 4.37Å; Y274-W332 AromaticContact CD1-CZ2 3.89Å; Y274-W332 HydrophobicContact CD1-CZ2 3.89Å; Y274-W332 HydrophobicContact CD1-CZ3 4.46Å; Y274-W332 AromaticContact CD1-NE1 3.58Å; Y274-W332 HydrophobicContact CE1-CB 3.93Å; Y274-W332 AromaticContact CE1-CD1 3.82Å; Y274-W332 AromaticContact CE1-CD2 3.54Å; Y274-W332 HydrophobicContact CE1-CD2 3.54Å; Y274-W332 AromaticContact CE1-CE2 3.96Å; Y274-W332 AromaticContact CE1-CE3 3.98Å; Y274-W332 HydrophobicContact CE1-CE3 3.98Å; Y274-W332 AromaticContact CE1-CG 3.48Å; Y274-W332 HydrophobicContact CE1-CG 3.48Å; Y274-W332 VanDerWaalsContact CE1-CG 3.48Å; Y274-Y492 AromaticContact CE1-CE1 3.78Å; Y274-Y492 HydrophobicContact CE1-CE1 3.78Å; Y274-Y492 PolarHBondContact OH-OH 2.82Å; Y274-W493 AromaticContact CD1-CH2 3.66Å; Y274-W493 HydrophobicContact CD1-CH2 3.66Å; Y274-W493 AromaticContact CD1-CZ2 3.69Å; Y274-W493 HydrophobicContact CD1-CZ2 3.69Å; Y274-W493 HydrophobicContact CD2-CH2 4.36Å; Y274-W493 AromaticContact CE1-CH2 3.84Å; Y274-W493 HydrophobicContact CE1-CH2 3.84Å; Y274-W493 HydrophobicContact CE1-CZ2 4.05Å; Y274-W493 AromaticContact CG-CH2 3.96Å; Y274-W493 HydrophobicContact CG-CH2 3.96Å; Y274-W493 HydrophobicContact CG-CZ2 4.26Å
275A94.8Very high92.8Very high39 Ų3951.4 Ų51.432%0.32229%0.285SS..Hα-helixtrans-64.3-47.5-178.900000113.3M270 L278 L279M270-A275 WeakPolarHBondContact O-CB 3.45Å; M270-A275 PolarHBondContact O-N 3.04Å; A275-L278 PolarHBondContact O-N 2.92Å; A275-L279 WeakPolarHBondContact O-CG 3.26Å; A275-L279 PolarHBondContact O-N 2.97Å
276P95.1Very high92.6Very high48 Ų4850.5 Ų50.531%0.31228%0.283SS..Hα-helixtrans-63.6-43.7177.4-2637.4000113.3M271 G272 V273 L278 L279 I280M271-P276 WeakPolarHBondContact O-CD 3.32Å; G272-P276 WeakPolarHBondContact O-CG 3.29Å; V273-P276 WeakPolarHBondContact O-CD 3.28Å; P276-L278 VanDerWaalsContact C-N 3.35Å; P276-L278 PolarHBondContact O-N 2.72Å; P276-L279 PolarHBondContact O-N 3Å; P276-I280 VanDerWaalsContact O-CG1 3.28Å; P276-I280 WeakPolarHBondContact O-CG1 3.46Å; P276-I280 PolarHBondContact O-N 2.81Å
277T95.4Very high92.4Very high0 Ų048.1 Ų48.10%027%0.269CS..Hα-helixtrans-65.8-37.3179.454.20000112.2V273 Y274 I280 V281 L309 E312 W332 L333V273-T277 WeakPolarHBondContact O-CB 3.32Å; V273-T277 VanDerWaalsContact O-CG2 3.27Å; V273-T277 WeakPolarHBondContact O-CG2 3.07Å; V273-T277 PolarHBondContact O-N 3.19Å; V273-T277 PolarHBondContact O-OG1 2.04Å; Y274-T277 PolarHBondContact O-OG1 3.33Å; Y274-T277 VanDerWaalsContact O-OG1 3.11Å; T277-I280 PolarHBondContact O-N 2.79Å; T277-V281 WeakPolarHBondContact O-CG2 3.26Å; T277-V281 PolarHBondContact O-N 2.86Å; T277-L309 HydrophobicContact CG2-CD2 4.08Å; T277-E312 HydrophobicContact CG2-CG 3.99Å; T277-W332 PolarHBondContact OG1-NE1 3.39Å; T277-L333 HydrophobicContact CG2-CD2 3.91Å
278L94.6Very high92.3Very high60 Ų6046 Ų4631%0.31425%0.247SC..Hα-helixtrans-59.8-48.3171-175.3152.6000111.3Y274 A275 P276 I280 V281 V282 W332 F485Y274-L278 VanDerWaalsContact O-CB 3.23Å; Y274-L278 WeakPolarHBondContact O-CB 3.3Å; Y274-L278 PolarHBondContact O-N 2.05Å; A275-L278 PolarHBondContact O-N 2.92Å; P276-L278 VanDerWaalsContact C-N 3.35Å; P276-L278 PolarHBondContact O-N 2.72Å; L278-I280 VanDerWaalsContact C-N 3.32Å; L278-I280 PolarHBondContact O-N 2.8Å; L278-V281 PolarHBondContact O-N 3.48Å; L278-V282 HydrophobicContact CD2-CG2 4.14Å; L278-V282 WeakPolarHBondContact O-CG2 3.45Å; L278-V282 PolarHBondContact O-N 2.95Å; L278-W332 HydrophobicContact CB-CZ2 4.26Å; L278-W332 HydrophobicContact CD1-CH2 4.4Å; L278-F485 HydrophobicContact CG-CE1 4.14Å; L278-F485 HydrophobicContact CG-CZ 4.45Å
279L94.2Very high92.1Very high106 Ų10647 Ų4756%0.55525%0.246SC*.Hα-helixtrans-61.9-39.2178.5-70.3173.8000111.8A275 P276 V282 L283A275-L279 WeakPolarHBondContact O-CG 3.26Å; A275-L279 PolarHBondContact O-N 2.97Å; P276-L279 PolarHBondContact O-N 3Å; L279-V282 PolarHBondContact O-N 3.35Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.38Å; L279-L283 PolarHBondContact O-N 2.85Å
280I95.1Very high91.9Very high31 Ų3148.1 Ų48.116%0.15925%0.253CS..Hα-helixtrans-64.6-41.1176.7-65.7161.1000111.4P276 T277 L278 V282 L283 S284 S305 L309P276-I280 VanDerWaalsContact O-CG1 3.28Å; P276-I280 WeakPolarHBondContact O-CG1 3.46Å; P276-I280 PolarHBondContact O-N 2.81Å; T277-I280 PolarHBondContact O-N 2.79Å; L278-I280 VanDerWaalsContact C-N 3.32Å; L278-I280 PolarHBondContact O-N 2.8Å; I280-V282 VanDerWaalsContact C-N 3.31Å; I280-V282 PolarHBondContact O-N 2.64Å; I280-L283 PolarHBondContact O-N 3.21Å; I280-S284 PolarHBondContact O-N 3.43Å; I280-S305 WeakPolarHBondContact CG2-O 3.28Å; I280-L309 HydrophobicContact CB-CD2 4.17Å; I280-L309 HydrophobicContact CB-CG 4.36Å; I280-L309 HydrophobicContact CD1-CD2 4.46Å; I280-L309 HydrophobicContact CG2-CD1 4.07Å; I280-L309 HydrophobicContact CG2-CD2 4.06Å; I280-L309 HydrophobicContact CG2-CG 3.69Å
281V95Very high91.4Very high0 Ų050.6 Ų50.60%027%0.268CS..Hα-helixtrans-61.3-43.1173.5173.40000110.5T277 L278 L283 S284 W285 L309 C336 F339 F485T277-V281 WeakPolarHBondContact O-CG2 3.26Å; T277-V281 PolarHBondContact O-N 2.86Å; L278-V281 PolarHBondContact O-N 3.48Å; V281-L283 VanDerWaalsContact C-N 3.33Å; V281-L283 PolarHBondContact O-N 2.82Å; V281-S284 WeakPolarHBondContact O-CB 3.19Å; V281-S284 PolarHBondContact O-N 2.98Å; V281-S284 PolarHBondContact O-OG 3.38Å; V281-W285 HydrophobicContact CG1-CE3 4.26Å; V281-W285 HydrophobicContact CG1-CH2 4.38Å; V281-W285 HydrophobicContact CG1-CZ3 4.02Å; V281-L309 HydrophobicContact CG2-CD1 4.3Å; V281-C336 HydrophobicContact CG2-CB 3.62Å; V281-F339 HydrophobicContact CG1-CB 4.01Å; V281-F485 HydrophobicContact CB-CE2 4.4Å; V281-F485 HydrophobicContact CB-CZ 4.22Å; V281-F485 HydrophobicContact CG1-CD1 4.43Å; V281-F485 HydrophobicContact CG1-CD2 4.03Å; V281-F485 HydrophobicContact CG1-CE1 4.29Å; V281-F485 HydrophobicContact CG1-CE2 3.91Å; V281-F485 HydrophobicContact CG1-CG 4.29Å; V281-F485 HydrophobicContact CG1-CZ 4.04Å; V281-F485 HydrophobicContact CG2-CE2 4.37Å; V281-F485 HydrophobicContact CG2-CZ 4.45Å
282V92.6Very high90.5Very high47 Ų4743.5 Ų43.529%0.28523%0.233SC..Hα-helixtrans-61.7-42.4175.6173.80000111.3L278 L279 I280 S284 W285 L286L278-V282 HydrophobicContact CD2-CG2 4.14Å; L278-V282 WeakPolarHBondContact O-CG2 3.45Å; L278-V282 PolarHBondContact O-N 2.95Å; L279-V282 PolarHBondContact O-N 3.35Å; I280-V282 VanDerWaalsContact C-N 3.31Å; I280-V282 PolarHBondContact O-N 2.64Å; V282-S284 VanDerWaalsContact C-N 3.3Å; V282-S284 PolarHBondContact O-N 3.35Å; V282-W285 HydrophobicContact CB-CZ2 4.5Å; V282-W285 HydrophobicContact CG2-CZ2 3.9Å; V282-W285 PolarHBondContact O-NE1 3.11Å; V282-W285 VanDerWaalsContact O-NE1 3.16Å; V282-L286 WeakPolarHBondContact O-CG 3.4Å; V282-L286 PolarHBondContact O-N 3.01Å
283L91.1Very high89.7Confident88 Ų8845.2 Ų45.246%0.46123%0.234SC..Hα-helixtrans-61.9-38.6176.8-72.2175.5000111.8L279 I280 V281 W285 L286 L301L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.38Å; L279-L283 PolarHBondContact O-N 2.85Å; I280-L283 PolarHBondContact O-N 3.21Å; V281-L283 VanDerWaalsContact C-N 3.33Å; V281-L283 PolarHBondContact O-N 2.82Å; L283-W285 PolarHBondContact O-N 3.43Å; L283-L286 HydrophobicContact CD2-CD1 3.77Å; L283-L286 WeakPolarHBondContact O-CB 3.22Å; L283-L286 PolarHBondContact O-N 2.96Å; L283-L286 VanDerWaalsContact O-N 3.15Å; L283-L301 WeakPolarHBondContact O-CD2 3.25Å
284S92.1Very high89.3Confident0 Ų046.9 Ų46.90%025%0.248CC..Hα-helixtrans-56.4-46.9-178.5770000112.2I280 V281 V282 L286 S287 S343I280-S284 PolarHBondContact O-N 3.43Å; V281-S284 WeakPolarHBondContact O-CB 3.19Å; V281-S284 PolarHBondContact O-N 2.98Å; V281-S284 PolarHBondContact O-OG 3.38Å; V282-S284 VanDerWaalsContact C-N 3.3Å; V282-S284 PolarHBondContact O-N 3.35Å; S284-L286 PolarHBondContact O-N 2.95Å; S284-S287 WeakPolarHBondContact O-CB 3.14Å; S284-S287 PolarHBondContact O-N 3.13Å; S284-S287 PolarHBondContact O-OG 2.79Å; S284-S343 PolarHBondContact O-OG 2.85Å; S284-S343 VanDerWaalsContact O-OG 3.05Å
285W89Confident88.6Confident26 Ų2649.1 Ų49.110%0.09827%0.265CS..Hα-helixtrans-85.1-3-178.763.938.4000114.5V281 V282 L283 S287 F288 F481 P482 F485V281-W285 HydrophobicContact CG1-CE3 4.26Å; V281-W285 HydrophobicContact CG1-CH2 4.38Å; V281-W285 HydrophobicContact CG1-CZ3 4.02Å; V282-W285 HydrophobicContact CB-CZ2 4.5Å; V282-W285 HydrophobicContact CG2-CZ2 3.9Å; V282-W285 PolarHBondContact O-NE1 3.11Å; V282-W285 VanDerWaalsContact O-NE1 3.16Å; L283-W285 PolarHBondContact O-N 3.43Å; W285-S287 PolarHBondContact O-N 3.39Å; W285-F288 HydrophobicContact CB-CD2 3.67Å; W285-F288 HydrophobicContact CB-CE2 3.35Å; W285-F288 HydrophobicContact CB-CZ 3.99Å; W285-F288 WeakPolarHBondContact O-CB 3.26Å; W285-F288 VanDerWaalsContact O-CD2 3.29Å; W285-F288 WeakPolarHBondContact O-CD2 3.47Å; W285-F288 WeakPolarHBondContact O-CG 3.06Å; W285-F288 PolarHBondContact O-N 2.98Å; W285-F481 HydrophobicContact CD2-CB 4.34Å; W285-F481 HydrophobicContact CE3-CB 3.62Å; W285-F481 HydrophobicContact CE3-CD1 4.1Å; W285-F481 HydrophobicContact CE3-CG 4.36Å; W285-F481 VanDerWaalsContact CZ3-C 3.5Å; W285-F481 HydrophobicContact CZ3-CB 4.11Å; W285-F481 WeakPolarHBondContact CZ3-O 3.31Å; W285-P482 HydrophobicContact CD2-CG 4.34Å; W285-P482 HydrophobicContact CH2-CB 4.2Å; W285-P482 HydrophobicContact CH2-CG 4.36Å; W285-P482 HydrophobicContact CZ2-CB 4.14Å; W285-P482 HydrophobicContact CZ2-CG 4.1Å; W285-F485 HydrophobicContact CH2-CB 3.52Å; W285-F485 AromaticContact CH2-CD1 3.57Å; W285-F485 HydrophobicContact CH2-CD1 3.57Å; W285-F485 AromaticContact CH2-CG 3.76Å; W285-F485 HydrophobicContact CH2-CG 3.76Å; W285-F485 HydrophobicContact CZ2-CD1 4.48Å; W285-F485 HydrophobicContact CZ3-CB 3.51Å; W285-F485 HydrophobicContact CZ3-CD1 4.22Å; W285-F485 AromaticContact CZ3-CG 3.95Å; W285-F485 HydrophobicContact CZ3-CG 3.95Å
286L87.8Confident88Confident77 Ų7751.4 Ų51.440%0.40328%0.284SS..Hα-helixtrans-63.9-21.6167.1-68.9-177.8000111.1V282 L283 S284 F288 W289V282-L286 WeakPolarHBondContact O-CG 3.4Å; V282-L286 PolarHBondContact O-N 3.01Å; L283-L286 HydrophobicContact CD2-CD1 3.77Å; L283-L286 WeakPolarHBondContact O-CB 3.22Å; L283-L286 PolarHBondContact O-N 2.96Å; L283-L286 VanDerWaalsContact O-N 3.15Å; S284-L286 PolarHBondContact O-N 2.95Å; L286-F288 PolarHBondContact O-N 2.96Å; L286-W289 WeakPolarHBondContact O-CB 3.31Å; L286-W289 PolarHBondContact O-N 2.86Å
287S86.8Confident87.6Confident2 Ų251.5 Ų51.51%0.01429%0.288CS..G310 helixtrans-54.8-30.6172.764.10000113.1S284 W285 W289 I290 R298 S343S284-S287 WeakPolarHBondContact O-CB 3.14Å; S284-S287 PolarHBondContact O-N 3.13Å; S284-S287 PolarHBondContact O-OG 2.79Å; W285-S287 PolarHBondContact O-N 3.39Å; S287-W289 PolarHBondContact O-N 2.94Å; S287-I290 PolarHBondContact O-N 2.95Å; S287-R298 PolarHBondContact O-NE 2.76Å; S287-R298 VanDerWaalsContact O-NE 3.16Å; S287-S343 PolarHBondContact OG-OG 3.49Å
288F88.3Confident87.2Confident1 Ų151.6 Ų51.60%0.00429%0.289CS..G310 helixtrans-67.3-19.2178.2-51.8-28.8000113.4W285 L286 E346 A477 R478 F481W285-F288 HydrophobicContact CB-CD2 3.67Å; W285-F288 HydrophobicContact CB-CE2 3.35Å; W285-F288 HydrophobicContact CB-CZ 3.99Å; W285-F288 WeakPolarHBondContact O-CB 3.26Å; W285-F288 VanDerWaalsContact O-CD2 3.29Å; W285-F288 WeakPolarHBondContact O-CD2 3.47Å; W285-F288 WeakPolarHBondContact O-CG 3.06Å; W285-F288 PolarHBondContact O-N 2.98Å; L286-F288 PolarHBondContact O-N 2.96Å; F288-E346 HydrophobicContact CD1-CG 4.44Å; F288-E346 WeakPolarHBondContact CD1-OE2 3.26Å; F288-E346 HydrophobicContact CE1-CB 4.03Å; F288-E346 HydrophobicContact CE1-CG 3.8Å; F288-E346 WeakPolarHBondContact CE1-OE2 3.37Å; F288-E346 HydrophobicContact CZ-CB 4.42Å; F288-E346 HydrophobicContact CZ-CG 4.28Å; F288-A477 HydrophobicContact CD1-CB 4.32Å; F288-A477 HydrophobicContact CD2-CB 3.77Å; F288-A477 HydrophobicContact CE1-CB 4.37Å; F288-A477 HydrophobicContact CE2-CB 3.79Å; F288-A477 HydrophobicContact CG-CB 4.06Å; F288-A477 HydrophobicContact CZ-CB 4.11Å; F288-R478 HydrophobicContact CB-CG 3.97Å; F288-R478 PolarHBondContact O-NE 3.12Å; F288-R478 PolarHBondContact O-NH2 3.03Å; F288-F481 HydrophobicContact CE2-CB 3.94Å; F288-F481 HydrophobicContact CE2-CD1 4.09Å; F288-F481 AromaticContact CE2-CD2 3.6Å; F288-F481 HydrophobicContact CE2-CD2 3.6Å; F288-F481 HydrophobicContact CE2-CE1 4.48Å; F288-F481 HydrophobicContact CE2-CE2 4.04Å; F288-F481 AromaticContact CE2-CG 3.63Å; F288-F481 HydrophobicContact CE2-CG 3.63Å; F288-F481 HydrophobicContact CE2-CZ 4.45Å; F288-F481 HydrophobicContact CZ-CD1 4.16Å; F288-F481 AromaticContact CZ-CD2 3.85Å; F288-F481 HydrophobicContact CZ-CD2 3.85Å; F288-F481 HydrophobicContact CZ-CE1 4.09Å; F288-F481 AromaticContact CZ-CE2 3.78Å; F288-F481 HydrophobicContact CZ-CE2 3.78Å; F288-F481 HydrophobicContact CZ-CG 4.03Å; F288-F481 AromaticContact CZ-CZ 3.91Å; F288-F481 HydrophobicContact CZ-CZ 3.91Å
289W87.1Confident86.9Confident172 Ų17251.1 Ų51.165%0.65229%0.288SS*.G310 helixtrans-89.3-22.9178.1-72.483.2000113.2L286 S287L286-W289 WeakPolarHBondContact O-CB 3.31Å; L286-W289 PolarHBondContact O-N 2.86Å; S287-W289 PolarHBondContact O-N 2.94Å
290I86.8Confident86.7Confident51 Ų5148.4 Ų48.426%0.26228%0.277SS..SBendtrans-67.8154.9175.5-60.7177.2000108.6S287 A294 A297 R298 L301S287-I290 PolarHBondContact O-N 2.95Å; I290-A294 HydrophobicContact CG2-CB 3.99Å; I290-A297 HydrophobicContact CG2-CB 4.34Å; I290-R298 HydrophobicContact CB-CG 3.95Å; I290-R298 HydrophobicContact CD1-CG 4.46Å; I290-R298 HydrophobicContact CG2-CG 3.84Å; I290-R298 VanDerWaalsContact O-CZ 3.28Å; I290-R298 PolarHBondContact O-NE 2.86Å; I290-R298 PolarHBondContact O-NH2 2.72Å; I290-L301 HydrophobicContact CD1-CD1 4.28Å
291N82.4Confident86.5Confident116 Ų11649.1 Ų49.162%0.6228%0.281SS*.  trans-68.2144.1176.4-72.3-53.4000112.2D293 A294 R298N291-D293 PolarHBondContact O-N 2.78Å; N291-A294 PolarHBondContact O-N 2.88Å; N291-A294 VanDerWaalsContact O-N 3.11Å; N291-R298 PolarHBondContact O-NE 3.16Å
292P74.7Confident86.3Confident4 Ų449.3 Ų49.33%0.02628%0.283CS..THydrogen-bonded Turntrans-61.9-29.9-177.4-14.223.1000113.9A294 V350 Q351 L354 I466P292-A294 PolarHBondContact O-N 2.04Å; P292-V350 HydrophobicContact CB-CG1 4.2Å; P292-Q351 PolarHBondContact O-NE2 3.38Å; P292-Q351 VanDerWaalsContact O-NE2 3.1Å; P292-L354 HydrophobicContact CB-CD1 3.62Å; P292-L354 HydrophobicContact CB-CD2 4.14Å; P292-L354 HydrophobicContact CB-CG 4.42Å; P292-I466 HydrophobicContact CG-CG2 4.25Å
293D73.7Confident86.3Confident72 Ų7251.1 Ų51.139%0.38529%0.29SS..THydrogen-bonded Turntrans-71.6-19180-62.2-22.5000112.8N291 S295 P464 I466N291-D293 PolarHBondContact O-N 2.78Å; D293-S295 PolarHBondContact O-N 2.93Å; D293-P464 WeakPolarHBondContact OD2-CG 3.45Å; D293-I466 WeakPolarHBondContact OD1-CG1 3.43Å; D293-I466 WeakPolarHBondContact OD2-CD1 3.39Å; D293-I466 VanDerWaalsContact OD2-CG1 3.32Å; D293-I466 WeakPolarHBondContact OD2-CG1 3.37Å
294A83.4Confident86.4Confident39 Ų3953 Ų5332%0.32230%0.295SS..  trans-86.259.7-179.900000111.4I290 N291 P292 A296 A297 R298I290-A294 HydrophobicContact CG2-CB 3.99Å; N291-A294 PolarHBondContact O-N 2.88Å; N291-A294 VanDerWaalsContact O-N 3.11Å; P292-A294 PolarHBondContact O-N 2.04Å; A294-A296 PolarHBondContact O-N 3.09Å; A294-A297 HydrophobicContact CB-CB 4.46Å; A294-A297 PolarHBondContact O-N 2.91Å; A294-A297 VanDerWaalsContact O-N 3.07Å; A294-R298 PolarHBondContact O-N 3.37Å
295S80.5Confident86.5Confident52 Ų5253.6 Ų53.636%0.36430%0.299SS..Hα-helixtrans-55.5-39.3179.157.50000112.7D293 A297 R298 V299 Y347D293-S295 PolarHBondContact O-N 2.93Å; S295-A297 PolarHBondContact O-N 2.99Å; S295-A297 VanDerWaalsContact O-N 3.14Å; S295-R298 PolarHBondContact O-N 2.91Å; S295-V299 WeakPolarHBondContact O-CG2 3.3Å; S295-V299 PolarHBondContact O-N 2.98Å; S295-V299 VanDerWaalsContact O-N 3.08Å; S295-Y347 WeakPolarHBondContact CA-OH 3.46Å; S295-Y347 WeakPolarHBondContact CB-OH 3.31Å
296A83.3Confident86.8Confident88 Ų8853.7 Ų53.773%0.72730%0.302SS*.Hα-helixtrans-60.2-22.3178.400000114.2A294 P300A294-A296 PolarHBondContact O-N 3.09Å; A296-P300 VanDerWaalsContact O-CD 3.3Å; A296-P300 WeakPolarHBondContact O-CD 3.38Å; A296-P300 WeakPolarHBondContact O-CG 3.29Å
297A85.3Confident87.2Confident49 Ų4955 Ų5541%0.40531%0.309SS..Hα-helixtrans-96.5-36.6176.600000112.6I290 A294 S295I290-A297 HydrophobicContact CG2-CB 4.34Å; A294-A297 HydrophobicContact CB-CB 4.46Å; A294-A297 PolarHBondContact O-N 2.91Å; A294-A297 VanDerWaalsContact O-N 3.07Å; S295-A297 PolarHBondContact O-N 2.99Å; S295-A297 VanDerWaalsContact O-N 3.14Å
298R87.6Confident87.6Confident3 Ų357.6 Ų57.61%0.01133%0.327CS..Hα-helixtrans-75.8-43.1-176.2-70.4-172.9175.5-160.85.9113.2S287 I290 N291 A294 S295 L301 G302 Y347 D474S287-R298 PolarHBondContact O-NE 2.76Å; S287-R298 VanDerWaalsContact O-NE 3.16Å; I290-R298 HydrophobicContact CB-CG 3.95Å; I290-R298 HydrophobicContact CD1-CG 4.46Å; I290-R298 HydrophobicContact CG2-CG 3.84Å; I290-R298 VanDerWaalsContact O-CZ 3.28Å; I290-R298 PolarHBondContact O-NE 2.86Å; I290-R298 PolarHBondContact O-NH2 2.72Å; N291-R298 PolarHBondContact O-NE 3.16Å; A294-R298 PolarHBondContact O-N 3.37Å; S295-R298 PolarHBondContact O-N 2.91Å; R298-L301 PolarHBondContact O-N 2.92Å; R298-G302 PolarHBondContact O-N 2.85Å; R298-G302 VanDerWaalsContact O-N 3.16Å; R298-Y347 HydrophobicContact CB-CD2 3.63Å; R298-Y347 HydrophobicContact CB-CE2 3.42Å; R298-Y347 VanDerWaalsContact CB-CE2 3.42Å; R298-Y347 HydrophobicContact CG-CD2 4.33Å; R298-Y347 HydrophobicContact CG-CE2 4.21Å; R298-D474 IonicContact CZ-OD1 2.85Å; R298-D474 IonicContact CZ-OD2 3.77Å; R298-D474 IonicContact NH1-OD1 3.74Å; R298-D474 PolarHBondContact NH1-OD1 3.33Å; R298-D474 IonicContact NH1-OD2 2.84Å; R298-D474 PolarHBondContact NH1-OD2 2.87Å; R298-D474 VanDerWaalsContact NH2-CG 3.35Å; R298-D474 IonicContact NH2-OD1 3.97Å; R298-D474 PolarHBondContact NH2-OD1 3.43Å; R298-D474 IonicContact NH2-OD2 3.79Å; R298-D474 PolarHBondContact NH2-OD2 3.18Å
299V88.1Confident87.9Confident49 Ų4957.6 Ų57.630%0.29733%0.327SS..Hα-helixtrans-59.2-52.9-177.5178.10000111.9S295 L301 G302 I303 Y347S295-V299 WeakPolarHBondContact O-CG2 3.3Å; S295-V299 PolarHBondContact O-N 2.98Å; S295-V299 VanDerWaalsContact O-N 3.08Å; V299-L301 VanDerWaalsContact C-N 3.29Å; V299-L301 PolarHBondContact O-N 3.01Å; V299-G302 PolarHBondContact O-N 2.89Å; V299-I303 HydrophobicContact CG1-CD1 3.55Å; V299-I303 HydrophobicContact CG1-CG1 4.28Å; V299-I303 WeakPolarHBondContact O-CG1 3.48Å; V299-I303 PolarHBondContact O-N 3.38Å; V299-Y347 HydrophobicContact CB-CE1 4.37Å; V299-Y347 HydrophobicContact CG2-CD1 4.27Å; V299-Y347 HydrophobicContact CG2-CE1 3.26Å; V299-Y347 HydrophobicContact CG2-CE2 4.49Å; V299-Y347 WeakPolarHBondContact CG2-OH 3.29Å
300P90.9Very high88.3Confident49 Ų4951.1 Ų51.132%0.31831%0.31SS..Hα-helixtrans-65.1-38.2-175.7-20.335.5000111A296 G302 I303 F304A296-P300 VanDerWaalsContact O-CD 3.3Å; A296-P300 WeakPolarHBondContact O-CD 3.38Å; A296-P300 WeakPolarHBondContact O-CG 3.29Å; P300-G302 PolarHBondContact O-N 2.79Å; P300-I303 PolarHBondContact O-N 3.09Å; P300-F304 HydrophobicContact CB-CD2 3.92Å; P300-F304 HydrophobicContact CB-CE2 3.81Å; P300-F304 VanDerWaalsContact O-CB 3.27Å; P300-F304 WeakPolarHBondContact O-CB 3.47Å; P300-F304 WeakPolarHBondContact O-CD2 3.45Å; P300-F304 WeakPolarHBondContact O-CG 3.08Å; P300-F304 PolarHBondContact O-N 3.31Å
301L90.4Very high88.6Confident47 Ų4751.9 Ų51.925%0.24632%0.32CS..Hα-helixtrans-60.1-44.2178.9-175.2156000112.2L283 I290 R298 V299 S305L283-L301 WeakPolarHBondContact O-CD2 3.25Å; I290-L301 HydrophobicContact CD1-CD1 4.28Å; R298-L301 PolarHBondContact O-N 2.92Å; V299-L301 VanDerWaalsContact C-N 3.29Å; V299-L301 PolarHBondContact O-N 3.01Å; L301-S305 WeakPolarHBondContact O-CB 3.49Å; L301-S305 PolarHBondContact O-N 2.79Å; L301-S305 VanDerWaalsContact O-N 3.1Å; L301-S305 PolarHBondContact O-OG 2.78Å
302G90.1Very high89.1Confident4 Ų448.9 Ų48.94%0.04130%0.302CS..Hα-helixtrans-66.3-46.5176.100000112.7R298 V299 P300 S305 V306R298-G302 PolarHBondContact O-N 2.85Å; R298-G302 VanDerWaalsContact O-N 3.16Å; V299-G302 PolarHBondContact O-N 2.89Å; P300-G302 PolarHBondContact O-N 2.79Å; G302-S305 PolarHBondContact O-N 3.32Å; G302-V306 WeakPolarHBondContact O-CG2 3.49Å; G302-V306 PolarHBondContact O-N 2.98Å; G302-V306 VanDerWaalsContact O-N 3.15Å
303I93.1Very high89.9Confident84 Ų8450.3 Ų50.343%0.43131%0.312SS..Hα-helixtrans-64.7-47-180-66.3176.2000111.2V299 P300 S305 V306 L307 L344V299-I303 HydrophobicContact CG1-CD1 3.55Å; V299-I303 HydrophobicContact CG1-CG1 4.28Å; V299-I303 WeakPolarHBondContact O-CG1 3.48Å; V299-I303 PolarHBondContact O-N 3.38Å; P300-I303 PolarHBondContact O-N 3.09Å; I303-S305 VanDerWaalsContact C-N 3.31Å; I303-S305 PolarHBondContact O-N 2.78Å; I303-V306 PolarHBondContact O-N 3.28Å; I303-L307 VanDerWaalsContact O-CB 3.31Å; I303-L307 WeakPolarHBondContact O-CB 3.32Å; I303-L307 PolarHBondContact O-N 2.94Å; I303-L344 HydrophobicContact CG1-CD1 4.09Å
304F94.1Very high90.8Very high129 Ų12951.6 Ų51.657%0.56632%0.323SS*.Hα-helixtrans-62.5-39.2178.7-76.2-56.1000111.5P300 L307 S308P300-F304 HydrophobicContact CB-CD2 3.92Å; P300-F304 HydrophobicContact CB-CE2 3.81Å; P300-F304 VanDerWaalsContact O-CB 3.27Å; P300-F304 WeakPolarHBondContact O-CB 3.47Å; P300-F304 WeakPolarHBondContact O-CD2 3.45Å; P300-F304 WeakPolarHBondContact O-CG 3.08Å; P300-F304 PolarHBondContact O-N 3.31Å; F304-L307 PolarHBondContact O-N 3.46Å; F304-S308 WeakPolarHBondContact O-CB 3.36Å; F304-S308 PolarHBondContact O-N 2.99Å; F304-S308 PolarHBondContact O-OG 2.79Å
305S93.8Very high91.1Very high11 Ų1153.1 Ų53.18%0.07733%0.328CS..Hα-helixtrans-61.6-46.8177.1-57.60000111.9I280 L301 G302 I303 S308 L309I280-S305 WeakPolarHBondContact CG2-O 3.28Å; L301-S305 WeakPolarHBondContact O-CB 3.49Å; L301-S305 PolarHBondContact O-N 2.79Å; L301-S305 VanDerWaalsContact O-N 3.1Å; L301-S305 PolarHBondContact O-OG 2.78Å; G302-S305 PolarHBondContact O-N 3.32Å; I303-S305 VanDerWaalsContact C-N 3.31Å; I303-S305 PolarHBondContact O-N 2.78Å; S305-S308 PolarHBondContact O-N 3.12Å; S305-L309 WeakPolarHBondContact O-CG 3.4Å; S305-L309 PolarHBondContact O-N 2.87Å
306V95.1Very high91.6Very high28 Ų2851.5 Ų51.517%0.1732%0.315CS..Hα-helixtrans-65.2-42.8177.51740000111.2G302 I303 L309 A310 L337G302-V306 WeakPolarHBondContact O-CG2 3.49Å; G302-V306 PolarHBondContact O-N 2.98Å; G302-V306 VanDerWaalsContact O-N 3.15Å; I303-V306 PolarHBondContact O-N 3.28Å; V306-L309 PolarHBondContact O-N 3.17Å; V306-A310 WeakPolarHBondContact O-CB 3.49Å; V306-A310 PolarHBondContact O-N 3.39Å; V306-L337 HydrophobicContact CG1-CD1 4.06Å
307L95.5Very high91.8Very high105 Ų10550.3 Ų50.355%0.5531%0.305SS..Hα-helixtrans-62.9-43.2177.6-179.761.5000111.8I303 F304 A310 S311I303-L307 VanDerWaalsContact O-CB 3.31Å; I303-L307 WeakPolarHBondContact O-CB 3.32Å; I303-L307 PolarHBondContact O-N 2.94Å; F304-L307 PolarHBondContact O-N 3.46Å; L307-A310 PolarHBondContact O-N 2.76Å; L307-S311 WeakPolarHBondContact O-CB 3.41Å; L307-S311 PolarHBondContact O-N 3.38Å
308S95.3Very high91.9Very high56 Ų5651.7 Ų51.739%0.39232%0.317SS..Hα-helixtrans-62.4-44.1176.2-68.10000111.7F304 S305 S311 E312F304-S308 WeakPolarHBondContact O-CB 3.36Å; F304-S308 PolarHBondContact O-N 2.99Å; F304-S308 PolarHBondContact O-OG 2.79Å; S305-S308 PolarHBondContact O-N 3.12Å; S308-S311 PolarHBondContact O-N 2.99Å; S308-E312 PolarHBondContact O-N 3Å
309L95.1Very high91.9Very high2 Ų258.3 Ų58.31%0.0135%0.348CS..Hα-helixtrans-62.9-43.4175.3-71.4168.4000112T277 I280 V281 S305 V306 E312 C313 C336 L337T277-L309 HydrophobicContact CG2-CD2 4.08Å; I280-L309 HydrophobicContact CB-CD2 4.17Å; I280-L309 HydrophobicContact CB-CG 4.36Å; I280-L309 HydrophobicContact CD1-CD2 4.46Å; I280-L309 HydrophobicContact CG2-CD1 4.07Å; I280-L309 HydrophobicContact CG2-CD2 4.06Å; I280-L309 HydrophobicContact CG2-CG 3.69Å; V281-L309 HydrophobicContact CG2-CD1 4.3Å; S305-L309 WeakPolarHBondContact O-CG 3.4Å; S305-L309 PolarHBondContact O-N 2.87Å; V306-L309 PolarHBondContact O-N 3.17Å; L309-E312 PolarHBondContact O-N 2.77Å; L309-C313 PolarHBondContact O-N 3.43Å; L309-C313 PolarHBondContact O-SG 3.42Å; L309-C336 WeakPolarHBondContact CD1-O 3.38Å; L309-C336 HydrophobicContact CD2-CB 4.04Å; L309-L337 HydrophobicContact CB-CD1 4.18Å
310A94.8Very high91.9Very high36 Ų3656.7 Ų56.730%0.29834%0.338SS..Hα-helixtrans-66.1-38.1177.900000112.5V306 L307 C313 T314V306-A310 WeakPolarHBondContact O-CB 3.49Å; V306-A310 PolarHBondContact O-N 3.39Å; L307-A310 PolarHBondContact O-N 2.76Å; A310-C313 PolarHBondContact O-N 2.82Å; A310-T314 PolarHBondContact O-N 3.25Å; A310-T314 VanDerWaalsContact O-N 3.14Å; A310-T314 PolarHBondContact O-OG1 3.43Å
311S94.3Very high91.8Very high67 Ų6755 Ų5547%0.46933%0.327SS..Hα-helixtrans-61.5-46.8173.7-171.60000110.8L307 S308 C313 T314 T315L307-S311 WeakPolarHBondContact O-CB 3.41Å; L307-S311 PolarHBondContact O-N 3.38Å; S308-S311 PolarHBondContact O-N 2.99Å; S311-C313 PolarHBondContact O-N 2.73Å; S311-T314 WeakPolarHBondContact O-CB 3.36Å; S311-T314 PolarHBondContact O-N 2.81Å; S311-T314 VanDerWaalsContact O-N 3.09Å; S311-T315 PolarHBondContact O-N 3.45Å; S311-T315 PolarHBondContact O-OG1 3.47Å
312E92.6Very high91.7Very high52 Ų5262.7 Ų62.724%0.24336%0.358CS..Hα-helixtrans-61.8-41.9179.3-165.263.6-163.800112T277 S308 L309 T314 T315 L316T277-E312 HydrophobicContact CG2-CG 3.99Å; S308-E312 PolarHBondContact O-N 3Å; L309-E312 PolarHBondContact O-N 2.77Å; E312-T314 VanDerWaalsContact C-N 3.25Å; E312-T314 PolarHBondContact O-N 3.01Å; E312-T315 PolarHBondContact O-N 2.89Å; E312-L316 HydrophobicContact CG-CD1 4.17Å; E312-L316 WeakPolarHBondContact O-CG 3.48Å; E312-L316 PolarHBondContact O-N 2.67Å
313C91.3Very high91.7Very high34 Ų3464 Ų6423%0.2337%0.365CS..Hα-helixtrans-57.7-40.1173.6-64.70000112L309 A310 S311 A317L309-C313 PolarHBondContact O-N 3.43Å; L309-C313 PolarHBondContact O-SG 3.42Å; A310-C313 PolarHBondContact O-N 2.82Å; S311-C313 PolarHBondContact O-N 2.73Å; C313-A317 WeakPolarHBondContact O-CB 3.19Å; C313-A317 PolarHBondContact O-N 2.7Å
314T91.3Very high91.6Very high99 Ų9966.2 Ų66.261%0.60739%0.388SS*.Hα-helixtrans-70-42.1-179.7-54.60000111.3A310 S311 E312 L316 A317 A318A310-T314 PolarHBondContact O-N 3.25Å; A310-T314 VanDerWaalsContact O-N 3.14Å; A310-T314 PolarHBondContact O-OG1 3.43Å; S311-T314 WeakPolarHBondContact O-CB 3.36Å; S311-T314 PolarHBondContact O-N 2.81Å; S311-T314 VanDerWaalsContact O-N 3.09Å; E312-T314 VanDerWaalsContact C-N 3.25Å; E312-T314 PolarHBondContact O-N 3.01Å; T314-L316 PolarHBondContact O-N 2.8Å; T314-A317 PolarHBondContact O-N 3.36Å; T314-A318 PolarHBondContact O-N 2.84Å
315T91.6Very high91.5Very high71 Ų7163.8 Ų63.844%0.43638%0.376SS..Hα-helixtrans-58.4-47.7174.9-56.10000110.8S311 E312 A317 A318 E319S311-T315 PolarHBondContact O-N 3.45Å; S311-T315 PolarHBondContact O-OG1 3.47Å; E312-T315 PolarHBondContact O-N 2.89Å; T315-A317 PolarHBondContact O-N 2.61Å; T315-A318 WeakPolarHBondContact O-CB 3.42Å; T315-A318 PolarHBondContact O-N 3.47Å; T315-A318 VanDerWaalsContact O-N 3.13Å; T315-E319 PolarHBondContact O-N 3.18Å
316L89.2Confident91.4Very high18 Ų1867.7 Ų67.79%0.09440%0.399CS..Hα-helixtrans-67.7-34.8-179-68.2164.8000113V273 E312 T314 A318 E319 L320 L329 L333V273-L316 HydrophobicContact CG1-CD1 3.5Å; V273-L316 HydrophobicContact CG1-CD2 4.46Å; V273-L316 HydrophobicContact CG2-CD1 4.24Å; V273-L316 HydrophobicContact CG2-CD2 3.7Å; E312-L316 HydrophobicContact CG-CD1 4.17Å; E312-L316 WeakPolarHBondContact O-CG 3.48Å; E312-L316 PolarHBondContact O-N 2.67Å; T314-L316 PolarHBondContact O-N 2.8Å; L316-A318 PolarHBondContact O-N 2.89Å; L316-E319 PolarHBondContact O-N 3.25Å; L316-L320 PolarHBondContact O-N 3.25Å; L316-L329 HydrophobicContact CD1-CD2 4.32Å; L316-L329 HydrophobicContact CD2-CD2 4.49Å; L316-L333 HydrophobicContact CD1-CD1 3.57Å; L316-L333 HydrophobicContact CD1-CD2 4.12Å; L316-L333 HydrophobicContact CD1-CG 4.44Å
317A87.5Confident91.4Very high63 Ų6367.3 Ų67.352%0.52140%0.395SS..Hα-helixtrans-68-19.6174.800000113.4C313 T314 T315C313-A317 WeakPolarHBondContact O-CB 3.19Å; C313-A317 PolarHBondContact O-N 2.7Å; T314-A317 PolarHBondContact O-N 3.36Å; T315-A317 PolarHBondContact O-N 2.61Å
318A88.7Confident91.3Very high79 Ų7962.3 Ų62.365%0.65337%0.369SS*.Hα-helixtrans-83.8-34176.100000112.7T314 T315 L316T314-A318 PolarHBondContact O-N 2.84Å; T315-A318 WeakPolarHBondContact O-CB 3.42Å; T315-A318 PolarHBondContact O-N 3.47Å; T315-A318 VanDerWaalsContact O-N 3.13Å; L316-A318 PolarHBondContact O-N 2.89Å
319E87Confident91.2Very high142 Ų14259.7 Ų59.766%0.66435%0.351SS*.Hα-helixtrans-76.8-28.3179.5-68.1-66152.800112.8T315 L316T315-E319 PolarHBondContact O-N 3.18Å; L316-E319 PolarHBondContact O-N 3.25Å
320L87.9Confident91.2Very high15 Ų1561.6 Ų61.68%0.07936%0.361CS..SBendtrans-99.7151.3-175-63.4173.8000112.9F190 L316F190-L320 HydrophobicContact CD1-CD1 4.02Å; F190-L320 HydrophobicContact CE1-CD1 3.54Å; F190-L320 HydrophobicContact CE1-CD2 3.91Å; F190-L320 HydrophobicContact CE1-CG 4.36Å; F190-L320 HydrophobicContact CE2-CD2 3.78Å; F190-L320 HydrophobicContact CZ-CD1 3.96Å; F190-L320 HydrophobicContact CZ-CD2 3.4Å; F190-L320 VanDerWaalsContact CZ-CD2 3.4Å; F190-L320 HydrophobicContact CZ-CG 4.3Å; L316-L320 PolarHBondContact O-N 3.25Å
321P89.6Confident91.2Very high14 Ų1462 Ų629%0.09136%0.36CS..  trans-58.2144.6170.724.3-34.5000111.3E96 L187 V323E96-P321 HydrophobicContact CB-CG 4.17Å; E96-P321 WeakPolarHBondContact O-CB 3.33Å; E96-P321 VanDerWaalsContact O-CG 3.26Å; E96-P321 WeakPolarHBondContact O-CG 3.3Å; L187-P321 HydrophobicContact CD1-CG 3.36Å; P321-V323 HydrophobicContact CB-CG1 4.47Å; P321-V323 HydrophobicContact CG-CG1 4.44Å; P321-V323 PolarHBondContact O-N 2.91Å
322K88.3Confident91.2Very high207 Ų20758.9 Ų58.990%0.934%0.338SS*.  trans-75.192.8173-62.3-179.3-176.7179.50109.6
323V89.9Confident91.3Very high32 Ų3256.9 Ų56.919%0.19433%0.328CS..  trans-97.9150.8171.3-63.70000110.3M99 L187 P321 Y325 K327M99-V323 HydrophobicContact CE-CG1 4.15Å; L187-V323 HydrophobicContact CD1-CG1 4.41Å; P321-V323 HydrophobicContact CB-CG1 4.47Å; P321-V323 HydrophobicContact CG-CG1 4.44Å; P321-V323 PolarHBondContact O-N 2.91Å; V323-Y325 HydrophobicContact CB-CD1 4.24Å; V323-Y325 HydrophobicContact CB-CE1 3.86Å; V323-Y325 HydrophobicContact CB-CE2 4.15Å; V323-Y325 HydrophobicContact CG1-CE1 4.17Å; V323-Y325 HydrophobicContact CG2-CD2 4.16Å; V323-Y325 HydrophobicContact CG2-CE1 4.45Å; V323-Y325 HydrophobicContact CG2-CE2 3.84Å; V323-K327 HydrophobicContact CG2-CD 3.96Å; V323-K327 HydrophobicContact CG2-CG 4.15Å
324S91.2Very high91.5Very high130 Ų13059.8 Ų59.891%0.90934%0.341SS*.SBendtrans-85.6-16.3-176.9550000114.2
325Y92.4Very high91.7Very high78 Ų7855.6 Ų55.631%0.30632%0.316SS..SBendtrans-92.8159.517953.7-100.6000111.7L187 T188 V323 K327L187-Y325 HydrophobicContact CB-CE2 4.21Å; L187-Y325 PolarHBondContact N-OH 3.31Å; L187-Y325 VanDerWaalsContact N-OH 3.09Å; T188-Y325 HydrophobicContact CG2-CD2 3.79Å; T188-Y325 HydrophobicContact CG2-CE2 3.85Å; T188-Y325 HydrophobicContact CG2-CG 4.44Å; V323-Y325 HydrophobicContact CB-CD1 4.24Å; V323-Y325 HydrophobicContact CB-CE1 3.86Å; V323-Y325 HydrophobicContact CB-CE2 4.15Å; V323-Y325 HydrophobicContact CG1-CE1 4.17Å; V323-Y325 HydrophobicContact CG2-CD2 4.16Å; V323-Y325 HydrophobicContact CG2-CE1 4.45Å; V323-Y325 HydrophobicContact CG2-CE2 3.84Å; Y325-K327 HydrophobicContact CE2-CG 4.4Å
326V91.8Very high91.9Very high94 Ų9452.2 Ų52.257%0.5730%0.296SS*.PPolyproline II helixtrans-79.2129.5179.2-177.40000109.7D330 V331V326-D330 HydrophobicContact CG1-CB 4.09Å; V326-V331 HydrophobicContact CG1-CG2 3.63Å
327K93.8Very high92.1Very high19 Ų1954 Ų548%0.08331%0.305CS..PPolyproline II helixtrans-93.1154.9174.9-55.3177.7-63.2-570110.3L187 T188 F190 V323 Y325 L329 D330 V331L187-K327 HydrophobicContact CB-CD 4.2Å; L187-K327 WeakPolarHBondContact O-CG 3.44Å; T188-K327 CarbonylContact O-C 3.57Å; T188-K327 WeakPolarHBondContact O-CA 3.38Å; F190-K327 HydrophobicContact CB-CD 4.45Å; V323-K327 HydrophobicContact CG2-CD 3.96Å; V323-K327 HydrophobicContact CG2-CG 4.15Å; Y325-K327 HydrophobicContact CE2-CG 4.4Å; K327-L329 VanDerWaalsContact C-N 3.26Å; K327-L329 PolarHBondContact O-N 3.15Å; K327-D330 WeakPolarHBondContact CB-OD2 3.36Å; K327-D330 WeakPolarHBondContact CE-OD1 3.38Å; K327-D330 PolarHBondContact N-OD2 2.87Å; K327-D330 IonicContact NZ-OD1 3.76Å; K327-D330 PolarHBondContact NZ-OD1 2.89Å; K327-D330 IonicContact NZ-OD2 3.95Å; K327-D330 PolarHBondContact NZ-OD2 3.48Å; K327-D330 WeakPolarHBondContact O-CA 3.08Å; K327-D330 WeakPolarHBondContact O-CB 3.42Å; K327-D330 PolarHBondContact O-N 2.93Å; K327-V331 PolarHBondContact O-N 2.9Å
328A94.4Very high92.5Very high1 Ų156.2 Ų56.21%0.00831%0.308CS..Hα-helixtrans-52-45.5174.800000112.1T188 D330 V331 W332 Y492 Y496T188-A328 PolarHBondContact O-N 3.46Å; A328-D330 VanDerWaalsContact C-N 3.3Å; A328-D330 PolarHBondContact O-N 3.46Å; A328-V331 WeakPolarHBondContact O-CB 3.49Å; A328-V331 PolarHBondContact O-N 2.77Å; A328-V331 VanDerWaalsContact O-N 3.12Å; A328-W332 PolarHBondContact O-N 2.79Å; A328-Y492 PolarHBondContact O-OH 3.1Å; A328-Y492 VanDerWaalsContact O-OH 3.09Å; A328-Y496 HydrophobicContact CB-CD1 3.37Å; A328-Y496 HydrophobicContact CB-CE1 3.47Å; A328-Y496 VanDerWaalsContact CB-CE1 3.47Å; A328-Y496 HydrophobicContact CB-CG 3.94Å
329L93.8Very high92.8Very high1 Ų154.2 Ų54.21%0.00528%0.284CS..Hα-helixtrans-59.2-36.1174.5-17364.5000113.8F190 V273 Y274 L316 K327 V331 W332 L333F190-L329 HydrophobicContact CD1-CB 4.16Å; F190-L329 HydrophobicContact CD1-CD2 4.03Å; F190-L329 HydrophobicContact CE1-CD2 3.73Å; F190-L329 PolarHBondContact O-N 3.46Å; F190-L329 VanDerWaalsContact O-N 3.15Å; V273-L329 HydrophobicContact CG1-CD1 3.93Å; Y274-L329 HydrophobicContact CE1-CD1 4.34Å; Y274-L329 HydrophobicContact CE2-CD1 3.92Å; L316-L329 HydrophobicContact CD1-CD2 4.32Å; L316-L329 HydrophobicContact CD2-CD2 4.49Å; K327-L329 VanDerWaalsContact C-N 3.26Å; K327-L329 PolarHBondContact O-N 3.15Å; L329-V331 VanDerWaalsContact C-N 3.32Å; L329-V331 PolarHBondContact O-N 2.79Å; L329-W332 WeakPolarHBondContact O-CB 3.26Å; L329-W332 PolarHBondContact O-N 2.77Å; L329-L333 HydrophobicContact CG-CD1 4.06Å; L329-L333 HydrophobicContact CG-CG 4.42Å; L329-L333 VanDerWaalsContact O-CG 3.31Å; L329-L333 WeakPolarHBondContact O-CG 3.34Å; L329-L333 PolarHBondContact O-N 3.14Å
330D93.5Very high93.1Very high41 Ų4147.4 Ų47.422%0.21925%0.252CS..Hα-helixtrans-65.4-39.3177.4-58.1-31.7000110.5V326 K327 A328 W332 L333 I334V326-D330 HydrophobicContact CG1-CB 4.09Å; K327-D330 WeakPolarHBondContact CB-OD2 3.36Å; K327-D330 WeakPolarHBondContact CE-OD1 3.38Å; K327-D330 PolarHBondContact N-OD2 2.87Å; K327-D330 IonicContact NZ-OD1 3.76Å; K327-D330 PolarHBondContact NZ-OD1 2.89Å; K327-D330 IonicContact NZ-OD2 3.95Å; K327-D330 PolarHBondContact NZ-OD2 3.48Å; K327-D330 WeakPolarHBondContact O-CA 3.08Å; K327-D330 WeakPolarHBondContact O-CB 3.42Å; K327-D330 PolarHBondContact O-N 2.93Å; A328-D330 VanDerWaalsContact C-N 3.3Å; A328-D330 PolarHBondContact O-N 3.46Å; D330-W332 VanDerWaalsContact C-N 3.33Å; D330-W332 PolarHBondContact O-N 3.45Å; D330-L333 PolarHBondContact O-N 3.08Å; D330-I334 VanDerWaalsContact O-CB 3.31Å; D330-I334 WeakPolarHBondContact O-CB 2.92Å; D330-I334 WeakPolarHBondContact O-CD1 3.29Å; D330-I334 WeakPolarHBondContact O-CG1 3.48Å; D330-I334 PolarHBondContact O-N 3.25Å
331V94.8Very high93.4Very high46 Ų4652.1 Ų52.128%0.27927%0.272SS..Hα-helixtrans-60.3-44.6176179.50000110.7V326 K327 A328 L329 A335 Y492V326-V331 HydrophobicContact CG1-CG2 3.63Å; K327-V331 PolarHBondContact O-N 2.9Å; A328-V331 WeakPolarHBondContact O-CB 3.49Å; A328-V331 PolarHBondContact O-N 2.77Å; A328-V331 VanDerWaalsContact O-N 3.12Å; L329-V331 VanDerWaalsContact C-N 3.32Å; L329-V331 PolarHBondContact O-N 2.79Å; V331-A335 WeakPolarHBondContact O-CB 3.48Å; V331-A335 PolarHBondContact O-N 2.91Å; V331-Y492 HydrophobicContact CB-CE2 4.43Å; V331-Y492 HydrophobicContact CG1-CE2 4.5Å
332W95.4Very high93.6Very high1 Ų153.2 Ų53.20%0.00428%0.283CS..Hα-helixtrans-59-52.5175.4176.3-95000112.1Y274 T277 L278 A328 L329 D330 I334 A335 C336 F485 F488 N489 Y492 W493Y274-W332 AromaticContact CD1-CD1 3.78Å; Y274-W332 AromaticContact CD1-CD2 3.53Å; Y274-W332 HydrophobicContact CD1-CD2 3.53Å; Y274-W332 AromaticContact CD1-CE2 3.43Å; Y274-W332 VanDerWaalsContact CD1-CE2 3.43Å; Y274-W332 HydrophobicContact CD1-CE3 4.07Å; Y274-W332 AromaticContact CD1-CG 3.78Å; Y274-W332 HydrophobicContact CD1-CG 3.78Å; Y274-W332 HydrophobicContact CD1-CH2 4.37Å; Y274-W332 AromaticContact CD1-CZ2 3.89Å; Y274-W332 HydrophobicContact CD1-CZ2 3.89Å; Y274-W332 HydrophobicContact CD1-CZ3 4.46Å; Y274-W332 AromaticContact CD1-NE1 3.58Å; Y274-W332 HydrophobicContact CE1-CB 3.93Å; Y274-W332 AromaticContact CE1-CD1 3.82Å; Y274-W332 AromaticContact CE1-CD2 3.54Å; Y274-W332 HydrophobicContact CE1-CD2 3.54Å; Y274-W332 AromaticContact CE1-CE2 3.96Å; Y274-W332 AromaticContact CE1-CE3 3.98Å; Y274-W332 HydrophobicContact CE1-CE3 3.98Å; Y274-W332 AromaticContact CE1-CG 3.48Å; Y274-W332 HydrophobicContact CE1-CG 3.48Å; Y274-W332 VanDerWaalsContact CE1-CG 3.48Å; T277-W332 PolarHBondContact OG1-NE1 3.39Å; L278-W332 HydrophobicContact CB-CZ2 4.26Å; L278-W332 HydrophobicContact CD1-CH2 4.4Å; A328-W332 PolarHBondContact O-N 2.79Å; L329-W332 WeakPolarHBondContact O-CB 3.26Å; L329-W332 PolarHBondContact O-N 2.77Å; D330-W332 VanDerWaalsContact C-N 3.33Å; D330-W332 PolarHBondContact O-N 3.45Å; W332-I334 PolarHBondContact O-N 2.95Å; W332-A335 PolarHBondContact O-N 2.94Å; W332-C336 PolarHBondContact O-N 2.91Å; W332-C336 PolarHBondContact O-SG 3.44Å; W332-C336 VanDerWaalsContact O-SG 3.4Å; W332-F485 HydrophobicContact CH2-CZ 4.36Å; W332-F488 AromaticContact CE3-CE1 3.74Å; W332-F488 HydrophobicContact CE3-CE1 3.74Å; W332-F488 HydrophobicContact CE3-CZ 4.28Å; W332-F488 AromaticContact CZ3-CE1 3.94Å; W332-F488 HydrophobicContact CZ3-CE1 3.94Å; W332-N489 WeakPolarHBondContact CH2-OD1 3.49Å; W332-N489 VanDerWaalsContact CZ3-OD1 3.29Å; W332-N489 WeakPolarHBondContact CZ3-OD1 3.36Å; W332-Y492 HydrophobicContact CB-CE1 4.47Å; W332-Y492 HydrophobicContact CB-CE2 3.88Å; W332-Y492 HydrophobicContact CD2-CE1 4.44Å; W332-Y492 AromaticContact CE3-CD1 3.63Å; W332-Y492 HydrophobicContact CE3-CD1 3.63Å; W332-Y492 HydrophobicContact CE3-CD2 4.34Å; W332-Y492 AromaticContact CE3-CE1 3.7Å; W332-Y492 HydrophobicContact CE3-CE1 3.7Å; W332-Y492 HydrophobicContact CE3-CE2 4.4Å; W332-Y492 AromaticContact CE3-CG 3.98Å; W332-Y492 HydrophobicContact CE3-CG 3.98Å; W332-Y492 AromaticContact CZ3-CD1 3.98Å; W332-Y492 HydrophobicContact CZ3-CD1 3.98Å; W332-Y492 HydrophobicContact CZ3-CE1 4.36Å; W332-Y492 HydrophobicContact CZ3-CG 4.43Å; W332-W493 HydrophobicContact CH2-CZ2 4.24Å; W332-W493 HydrophobicContact CZ3-CZ2 4.08Å; W332-W493 AromaticContact CZ3-NE1 3.75Å
333L94.4Very high93.7Very high9 Ų943.4 Ų43.45%0.04724%0.24CC..Hα-helixtrans-64.6-42.2-176.8-69.4171.9000112.4V273 T277 L316 L329 D330 A335 C336 L337V273-L333 HydrophobicContact CG1-CD2 4.39Å; T277-L333 HydrophobicContact CG2-CD2 3.91Å; L316-L333 HydrophobicContact CD1-CD1 3.57Å; L316-L333 HydrophobicContact CD1-CD2 4.12Å; L316-L333 HydrophobicContact CD1-CG 4.44Å; L329-L333 HydrophobicContact CG-CD1 4.06Å; L329-L333 HydrophobicContact CG-CG 4.42Å; L329-L333 VanDerWaalsContact O-CG 3.31Å; L329-L333 WeakPolarHBondContact O-CG 3.34Å; L329-L333 PolarHBondContact O-N 3.14Å; D330-L333 PolarHBondContact O-N 3.08Å; L333-A335 VanDerWaalsContact C-N 3.34Å; L333-C336 PolarHBondContact O-N 3.24Å; L333-L337 WeakPolarHBondContact O-CB 3.36Å; L333-L337 PolarHBondContact O-N 3.25Å
334I94.6Very high93.8Very high95 Ų9544 Ų4449%0.48724%0.242SC..Hα-helixtrans-61.7-44.1175.4-70.4166.3000110.1D330 W332 L337 L338D330-I334 VanDerWaalsContact O-CB 3.31Å; D330-I334 WeakPolarHBondContact O-CB 2.92Å; D330-I334 WeakPolarHBondContact O-CD1 3.29Å; D330-I334 WeakPolarHBondContact O-CG1 3.48Å; D330-I334 PolarHBondContact O-N 3.25Å; W332-I334 PolarHBondContact O-N 2.95Å; I334-L337 PolarHBondContact O-N 2.77Å; I334-L338 HydrophobicContact CG2-CD1 4Å; I334-L338 HydrophobicContact CG2-CG 4.36Å; I334-L338 WeakPolarHBondContact O-CB 3.29Å; I334-L338 VanDerWaalsContact O-CG 3.28Å; I334-L338 WeakPolarHBondContact O-CG 3.49Å; I334-L338 PolarHBondContact O-N 2.84Å
335A95.4Very high93.8Very high12 Ų1241 Ų4110%0.09922%0.218CC..Hα-helixtrans-61.5-49176.600000111.5V331 W332 L333 L337 L338 F339 F488V331-A335 WeakPolarHBondContact O-CB 3.48Å; V331-A335 PolarHBondContact O-N 2.91Å; W332-A335 PolarHBondContact O-N 2.94Å; L333-A335 VanDerWaalsContact C-N 3.34Å; A335-L337 VanDerWaalsContact C-N 3.3Å; A335-L337 PolarHBondContact O-N 2.85Å; A335-L338 PolarHBondContact O-N 3.26Å; A335-L338 VanDerWaalsContact O-N 3.17Å; A335-F339 WeakPolarHBondContact O-CD2 3.45Å; A335-F339 PolarHBondContact O-N 3.2Å; A335-F488 HydrophobicContact CB-CD1 4.32Å; A335-F488 HydrophobicContact CB-CD2 4.2Å; A335-F488 HydrophobicContact CB-CE1 3.67Å; A335-F488 HydrophobicContact CB-CE2 3.54Å; A335-F488 HydrophobicContact CB-CZ 3.24Å
336C95.8Very high93.7Very high0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-55.8-44.7175.6-71.90000112.1V281 L309 W332 L333 F339 G340V281-C336 HydrophobicContact CG2-CB 3.62Å; L309-C336 WeakPolarHBondContact CD1-O 3.38Å; L309-C336 HydrophobicContact CD2-CB 4.04Å; W332-C336 PolarHBondContact O-N 2.91Å; W332-C336 PolarHBondContact O-SG 3.44Å; W332-C336 VanDerWaalsContact O-SG 3.4Å; L333-C336 PolarHBondContact O-N 3.24Å; C336-F339 PolarHBondContact O-N 3.01Å; C336-G340 PolarHBondContact O-N 2.87Å
337L94.8Very high93.5Very high56 Ų5634.7 Ų34.729%0.29318%0.184SC..Hα-helixtrans-62.9-42.6177.3-17764.2000112V306 L309 L333 I334 A335 G340 F341V306-L337 HydrophobicContact CG1-CD1 4.06Å; L309-L337 HydrophobicContact CB-CD1 4.18Å; L333-L337 WeakPolarHBondContact O-CB 3.36Å; L333-L337 PolarHBondContact O-N 3.25Å; I334-L337 PolarHBondContact O-N 2.77Å; A335-L337 VanDerWaalsContact C-N 3.3Å; A335-L337 PolarHBondContact O-N 2.85Å; L337-G340 PolarHBondContact O-N 2.76Å; L337-F341 WeakPolarHBondContact O-CB 3.33Å; L337-F341 PolarHBondContact O-N 3.27Å
338L95.1Very high93.2Very high109 Ų10936.1 Ų36.157%0.57120%0.2SC*.Hα-helixtrans-63.1-42.2176.3-73.5172.7000111.9I334 A335 F341 A342I334-L338 HydrophobicContact CG2-CD1 4Å; I334-L338 HydrophobicContact CG2-CG 4.36Å; I334-L338 WeakPolarHBondContact O-CB 3.29Å; I334-L338 VanDerWaalsContact O-CG 3.28Å; I334-L338 WeakPolarHBondContact O-CG 3.49Å; I334-L338 PolarHBondContact O-N 2.84Å; A335-L338 PolarHBondContact O-N 3.26Å; A335-L338 VanDerWaalsContact O-N 3.17Å; L338-F341 PolarHBondContact O-N 2.88Å; L338-A342 VanDerWaalsContact O-CB 3.22Å; L338-A342 WeakPolarHBondContact O-CB 3.45Å; L338-A342 PolarHBondContact O-N 2.88Å
339F94.8Very high92.9Very high36 Ų3639.3 Ų39.316%0.15822%0.219CC..Hα-helixtrans-64.5-43.9175.1-83.4-75.5000112V281 A335 C336 A342 S343 F481 C484 F485 F488V281-F339 HydrophobicContact CG1-CB 4.01Å; A335-F339 WeakPolarHBondContact O-CD2 3.45Å; A335-F339 PolarHBondContact O-N 3.2Å; C336-F339 PolarHBondContact O-N 3.01Å; F339-A342 PolarHBondContact O-N 2.82Å; F339-S343 PolarHBondContact O-N 2.78Å; F339-F481 HydrophobicContact CD1-CD1 4.18Å; F339-C484 HydrophobicContact CE1-CB 3.92Å; F339-C484 HydrophobicContact CZ-CB 4.11Å; F339-F485 HydrophobicContact CD1-CB 4.47Å; F339-F485 AromaticContact CD2-CD2 3.66Å; F339-F485 HydrophobicContact CD2-CD2 3.66Å; F339-F485 HydrophobicContact CD2-CE2 4.29Å; F339-F485 HydrophobicContact CE1-CB 4.11Å; F339-F485 HydrophobicContact CE2-CB 4.45Å; F339-F485 AromaticContact CE2-CD2 3.77Å; F339-F485 HydrophobicContact CE2-CD2 3.77Å; F339-F485 HydrophobicContact CG-CD2 4.11Å; F339-F485 HydrophobicContact CZ-CB 4.11Å; F339-F485 HydrophobicContact CZ-CD2 4.28Å; F339-F488 HydrophobicContact CE2-CB 4.37Å; F339-F488 HydrophobicContact CE2-CG 4.48Å
340G93.3Very high92.5Very high0 Ų039.3 Ų39.30%022%0.219CC..Hα-helixtrans-61.5-44.1175.200000112.3C336 L337 S343 L344C336-G340 PolarHBondContact O-N 2.87Å; L337-G340 PolarHBondContact O-N 2.76Å; G340-S343 WeakPolarHBondContact O-CB 3.44Å; G340-S343 PolarHBondContact O-N 3.44Å; G340-L344 PolarHBondContact O-N 2.79Å
341F93.9Very high92.1Very high113 Ų11338.8 Ų38.850%0.49622%0.215SC..Hα-helixtrans-65.4-41.7176-178.6-102.3000112.1L337 L338 S343 L344 V345L337-F341 WeakPolarHBondContact O-CB 3.33Å; L337-F341 PolarHBondContact O-N 3.27Å; L338-F341 PolarHBondContact O-N 2.88Å; F341-S343 VanDerWaalsContact C-N 3.27Å; F341-S343 PolarHBondContact O-N 2.87Å; F341-L344 WeakPolarHBondContact O-CB 2.95Å; F341-L344 PolarHBondContact O-N 3.04Å; F341-V345 HydrophobicContact CD1-CG2 3.97Å; F341-V345 HydrophobicContact CE1-CG2 3.53Å; F341-V345 HydrophobicContact CE2-CG2 4.42Å; F341-V345 HydrophobicContact CZ-CG2 3.79Å; F341-V345 WeakPolarHBondContact O-CG2 3.24Å; F341-V345 PolarHBondContact O-N 3.2Å
342A93.6Very high91.6Very high37 Ų3741.3 Ų41.331%0.30623%0.231SC..Hα-helixtrans-60.9-36.2176.100000112L338 F339 L344 V345 E346 F481L338-A342 VanDerWaalsContact O-CB 3.22Å; L338-A342 WeakPolarHBondContact O-CB 3.45Å; L338-A342 PolarHBondContact O-N 2.88Å; F339-A342 PolarHBondContact O-N 2.82Å; A342-L344 VanDerWaalsContact C-N 3.33Å; A342-L344 PolarHBondContact O-N 2.84Å; A342-V345 PolarHBondContact O-N 2.75Å; A342-E346 WeakPolarHBondContact O-CB 3.23Å; A342-E346 PolarHBondContact O-N 2.86Å; A342-F481 HydrophobicContact CB-CE1 3.8Å; A342-F481 HydrophobicContact CB-CZ 3.86Å
343S91.3Very high90.8Very high1 Ų143 Ų431%0.00724%0.239CC..Hα-helixtrans-63.5-37.3172.7178.20000112.4S284 S287 F339 G340 F341 Y347S284-S343 PolarHBondContact O-OG 2.85Å; S284-S343 VanDerWaalsContact O-OG 3.05Å; S287-S343 PolarHBondContact OG-OG 3.49Å; F339-S343 PolarHBondContact O-N 2.78Å; G340-S343 WeakPolarHBondContact O-CB 3.44Å; G340-S343 PolarHBondContact O-N 3.44Å; F341-S343 VanDerWaalsContact C-N 3.27Å; F341-S343 PolarHBondContact O-N 2.87Å; S343-Y347 PolarHBondContact O-N 2.89Å
344L91.1Very high89.9Confident45 Ų4543.4 Ų43.424%0.23624%0.241CC..Hα-helixtrans-69.7-39.2175.9-173.667.2000111.9I303 G340 F341 A342 Y347 A348I303-L344 HydrophobicContact CG1-CD1 4.09Å; G340-L344 PolarHBondContact O-N 2.79Å; F341-L344 WeakPolarHBondContact O-CB 2.95Å; F341-L344 PolarHBondContact O-N 3.04Å; A342-L344 VanDerWaalsContact C-N 3.33Å; A342-L344 PolarHBondContact O-N 2.84Å; L344-Y347 PolarHBondContact O-N 3.41Å; L344-A348 PolarHBondContact O-N 2.77Å
345V91.9Very high89.1Confident67 Ų6744.7 Ų44.741%0.40625%0.249SC..Hα-helixtrans-64.1-43.2175.5172.50000111F341 A342 Y347 A348 V349F341-V345 HydrophobicContact CD1-CG2 3.97Å; F341-V345 HydrophobicContact CE1-CG2 3.53Å; F341-V345 HydrophobicContact CE2-CG2 4.42Å; F341-V345 HydrophobicContact CZ-CG2 3.79Å; F341-V345 WeakPolarHBondContact O-CG2 3.24Å; F341-V345 PolarHBondContact O-N 3.2Å; A342-V345 PolarHBondContact O-N 2.75Å; V345-Y347 VanDerWaalsContact C-N 3.3Å; V345-Y347 PolarHBondContact O-N 3.11Å; V345-A348 PolarHBondContact O-N 2.83Å; V345-V349 HydrophobicContact CG1-CG2 4.47Å; V345-V349 WeakPolarHBondContact O-CG2 3.44Å; V345-V349 PolarHBondContact O-N 2.83Å
346E90.4Very high88.3Confident17 Ų1747 Ų478%0.07926%0.259CS..Hα-helixtrans-54.3-49.2174-173.1-75.7157.400110.6F288 A342 A348 V349 V350 I473 A477F288-E346 HydrophobicContact CD1-CG 4.44Å; F288-E346 WeakPolarHBondContact CD1-OE2 3.26Å; F288-E346 HydrophobicContact CE1-CB 4.03Å; F288-E346 HydrophobicContact CE1-CG 3.8Å; F288-E346 WeakPolarHBondContact CE1-OE2 3.37Å; F288-E346 HydrophobicContact CZ-CB 4.42Å; F288-E346 HydrophobicContact CZ-CG 4.28Å; A342-E346 WeakPolarHBondContact O-CB 3.23Å; A342-E346 PolarHBondContact O-N 2.86Å; E346-A348 VanDerWaalsContact C-N 3.34Å; E346-A348 PolarHBondContact O-N 2.92Å; E346-V349 WeakPolarHBondContact O-CB 3.47Å; E346-V349 PolarHBondContact O-N 2.87Å; E346-V349 VanDerWaalsContact O-N 3.15Å; E346-V350 WeakPolarHBondContact O-CG2 3.41Å; E346-V350 PolarHBondContact O-N 2.86Å; E346-V350 WeakPolarHBondContact OE1-CG2 3.31Å; E346-I473 HydrophobicContact CG-CG2 4.32Å; E346-I473 WeakPolarHBondContact OE1-CG2 3.47Å; E346-A477 HydrophobicContact CG-CB 4.19Å
347Y87.2Confident87Confident22 Ų2250.8 Ų50.89%0.08629%0.285CS..Hα-helixtrans-60-43.8178.4170.7-96.4000112.3S295 R298 V299 S343 L344 V345 V349 V350 Q351S295-Y347 WeakPolarHBondContact CA-OH 3.46Å; S295-Y347 WeakPolarHBondContact CB-OH 3.31Å; R298-Y347 HydrophobicContact CB-CD2 3.63Å; R298-Y347 HydrophobicContact CB-CE2 3.42Å; R298-Y347 VanDerWaalsContact CB-CE2 3.42Å; R298-Y347 HydrophobicContact CG-CD2 4.33Å; R298-Y347 HydrophobicContact CG-CE2 4.21Å; V299-Y347 HydrophobicContact CB-CE1 4.37Å; V299-Y347 HydrophobicContact CG2-CD1 4.27Å; V299-Y347 HydrophobicContact CG2-CE1 3.26Å; V299-Y347 HydrophobicContact CG2-CE2 4.49Å; V299-Y347 WeakPolarHBondContact CG2-OH 3.29Å; S343-Y347 PolarHBondContact O-N 2.89Å; L344-Y347 PolarHBondContact O-N 3.41Å; V345-Y347 VanDerWaalsContact C-N 3.3Å; V345-Y347 PolarHBondContact O-N 3.11Å; Y347-V349 VanDerWaalsContact C-N 3.31Å; Y347-V349 PolarHBondContact O-N 3.46Å; Y347-V350 PolarHBondContact O-N 3.08Å; Y347-Q351 HydrophobicContact CD1-CG 4.25Å; Y347-Q351 HydrophobicContact CD2-CG 4.27Å; Y347-Q351 HydrophobicContact CE1-CG 3.53Å; Y347-Q351 HydrophobicContact CE2-CG 3.61Å; Y347-Q351 VanDerWaalsContact CE2-NE2 3.29Å; Y347-Q351 WeakPolarHBondContact O-CG 3.43Å; Y347-Q351 PolarHBondContact O-N 3.46Å; Y347-Q351 WeakPolarHBondContact OH-CG 3.44Å; Y347-Q351 PolarHBondContact OH-NE2 3.14Å
348A88.6Confident85.8Confident50 Ų5056 Ų5641%0.41331%0.305SS..Hα-helixtrans-60.7-42.2177.500000111.5L344 V345 E346 Q351 V352L344-A348 PolarHBondContact O-N 2.77Å; V345-A348 PolarHBondContact O-N 2.83Å; E346-A348 VanDerWaalsContact C-N 3.34Å; E346-A348 PolarHBondContact O-N 2.92Å; A348-Q351 PolarHBondContact O-N 3.13Å; A348-V352 WeakPolarHBondContact O-CG2 3.39Å; A348-V352 PolarHBondContact O-N 3.26Å
349V87.6Confident84.5Confident68 Ų6856 Ų5641%0.41230%0.297SS..Hα-helixtrans-62.4-46.5175.11720000110.8V345 E346 Y347 Q351 V352 M353V345-V349 HydrophobicContact CG1-CG2 4.47Å; V345-V349 WeakPolarHBondContact O-CG2 3.44Å; V345-V349 PolarHBondContact O-N 2.83Å; E346-V349 WeakPolarHBondContact O-CB 3.47Å; E346-V349 PolarHBondContact O-N 2.87Å; E346-V349 VanDerWaalsContact O-N 3.15Å; Y347-V349 VanDerWaalsContact C-N 3.31Å; Y347-V349 PolarHBondContact O-N 3.46Å; V349-Q351 VanDerWaalsContact C-N 3.35Å; V349-Q351 PolarHBondContact O-N 3.17Å; V349-V352 PolarHBondContact O-N 2.79Å; V349-M353 HydrophobicContact CG1-CG 4.49Å; V349-M353 HydrophobicContact CG1-SD 3.8Å; V349-M353 WeakPolarHBondContact O-CB 3.42Å; V349-M353 VanDerWaalsContact O-CG 3.24Å; V349-M353 WeakPolarHBondContact O-CG 3.28Å; V349-M353 PolarHBondContact O-N 3Å
350V85.6Confident83.2Confident0 Ų055.7 Ų55.70%030%0.298CS..Hα-helixtrans-58.2-46.7176.61700000110.9P292 E346 Y347 V352 M353 L354 A470 I473P292-V350 HydrophobicContact CB-CG1 4.2Å; E346-V350 WeakPolarHBondContact O-CG2 3.41Å; E346-V350 PolarHBondContact O-N 2.86Å; E346-V350 WeakPolarHBondContact OE1-CG2 3.31Å; Y347-V350 PolarHBondContact O-N 3.08Å; V350-V352 PolarHBondContact O-N 3.49Å; V350-M353 PolarHBondContact O-N 2.94Å; V350-M353 VanDerWaalsContact O-N 3.15Å; V350-L354 HydrophobicContact CG1-CD1 4.02Å; V350-L354 HydrophobicContact CG1-CG 4.26Å; V350-L354 VanDerWaalsContact O-CG 3.29Å; V350-L354 WeakPolarHBondContact O-CG 3.28Å; V350-L354 PolarHBondContact O-N 3.21Å; V350-A470 HydrophobicContact CG1-CB 4.39Å; V350-I473 HydrophobicContact CG2-CB 4.33Å; V350-I473 HydrophobicContact CG2-CG2 4.05Å
351Q83.6Confident82.1Confident30 Ų3061.8 Ų61.814%0.1433%0.326CS..Hα-helixtrans-62.4-43.4178.4-74.5-60.6-37.100113.4P292 Y347 A348 V349 M353 L354 N355P292-Q351 PolarHBondContact O-NE2 3.38Å; P292-Q351 VanDerWaalsContact O-NE2 3.1Å; Y347-Q351 HydrophobicContact CD1-CG 4.25Å; Y347-Q351 HydrophobicContact CD2-CG 4.27Å; Y347-Q351 HydrophobicContact CE1-CG 3.53Å; Y347-Q351 HydrophobicContact CE2-CG 3.61Å; Y347-Q351 VanDerWaalsContact CE2-NE2 3.29Å; Y347-Q351 WeakPolarHBondContact O-CG 3.43Å; Y347-Q351 PolarHBondContact O-N 3.46Å; Y347-Q351 WeakPolarHBondContact OH-CG 3.44Å; Y347-Q351 PolarHBondContact OH-NE2 3.14Å; A348-Q351 PolarHBondContact O-N 3.13Å; V349-Q351 VanDerWaalsContact C-N 3.35Å; V349-Q351 PolarHBondContact O-N 3.17Å; Q351-M353 PolarHBondContact O-N 2.95Å; Q351-L354 PolarHBondContact O-N 3.06Å; Q351-N355 WeakPolarHBondContact O-CB 3.46Å; Q351-N355 PolarHBondContact O-N 3.33Å
352V84.5Confident80.9Confident100 Ų10059 Ų5961%0.60632%0.324SS*.Hα-helixtrans-61-37.5175.4170.20000110.7A348 V349 V350 N356A348-V352 WeakPolarHBondContact O-CG2 3.39Å; A348-V352 PolarHBondContact O-N 3.26Å; V349-V352 PolarHBondContact O-N 2.79Å; V350-V352 PolarHBondContact O-N 3.49Å; V352-N356 PolarHBondContact O-N 3.19Å
353M80.4Confident79.8Confident36 Ų3658.3 Ų58.318%0.17732%0.315CS..Hα-helixtrans-73.9-32.6178.6-68178.686.200113.4V349 V350 Q351 I473V349-M353 HydrophobicContact CG1-CG 4.49Å; V349-M353 HydrophobicContact CG1-SD 3.8Å; V349-M353 WeakPolarHBondContact O-CB 3.42Å; V349-M353 VanDerWaalsContact O-CG 3.24Å; V349-M353 WeakPolarHBondContact O-CG 3.28Å; V349-M353 PolarHBondContact O-N 3Å; V350-M353 PolarHBondContact O-N 2.94Å; V350-M353 VanDerWaalsContact O-N 3.15Å; Q351-M353 PolarHBondContact O-N 2.95Å; M353-I473 HydrophobicContact CE-CD1 3.72Å; M353-I473 HydrophobicContact SD-CD1 3.21Å; M353-I473 WeakPolarHBondContact SD-CD1 3.03Å
354L75.1Confident78.9Confident17 Ų1763.6 Ų63.69%0.08934%0.338CS..Hα-helixtrans-66.4-42.5171.4-69.2172.5000111.5P292 V350 Q351 N356 V360 I466 A470P292-L354 HydrophobicContact CB-CD1 3.62Å; P292-L354 HydrophobicContact CB-CD2 4.14Å; P292-L354 HydrophobicContact CB-CG 4.42Å; V350-L354 HydrophobicContact CG1-CD1 4.02Å; V350-L354 HydrophobicContact CG1-CG 4.26Å; V350-L354 VanDerWaalsContact O-CG 3.29Å; V350-L354 WeakPolarHBondContact O-CG 3.28Å; V350-L354 PolarHBondContact O-N 3.21Å; Q351-L354 PolarHBondContact O-N 3.06Å; L354-N356 VanDerWaalsContact C-N 3.3Å; L354-N356 PolarHBondContact O-N 2.8Å; L354-V360 VanDerWaalsContact O-CG2 3.31Å; L354-V360 WeakPolarHBondContact O-CG2 3.41Å; L354-I466 HydrophobicContact CD2-CG2 3.84Å; L354-A470 HydrophobicContact CD2-CB 3.7Å; L354-A470 HydrophobicContact CG-CB 4.23Å
355N76.6Confident78Confident122 Ų12263.8 Ų63.865%0.65235%0.346SS*.SBendtrans-82.3-2.6-176.1-69.8-19000114Q351 P357Q351-N355 WeakPolarHBondContact O-CB 3.46Å; Q351-N355 PolarHBondContact O-N 3.33Å; N355-P357 VanDerWaalsContact O-CD 3.25Å; N355-P357 WeakPolarHBondContact O-CD 3.46Å
356N78.7Confident77.2Confident60 Ų6068.6 Ų68.632%0.32136%0.357SS..  trans-77.1109.9-179.1-169-29.9000111.2V352 L354 K358 R359 V360V352-N356 PolarHBondContact O-N 3.19Å; L354-N356 VanDerWaalsContact C-N 3.3Å; L354-N356 PolarHBondContact O-N 2.8Å; N356-K358 VanDerWaalsContact C-N 3.3Å; N356-K358 PolarHBondContact O-N 3.41Å; N356-K358 PolarHBondContact OD1-N 3.47Å; N356-R359 HydrophobicContact CB-CB 4.49Å; N356-R359 HydrophobicContact CB-CG 4.45Å; N356-R359 PolarHBondContact O-N 2.99Å; N356-R359 VanDerWaalsContact O-N 3.07Å; N356-V360 PolarHBondContact O-N 2.88Å
357P68.4Low76.4Confident81 Ų8171.3 Ų71.353%0.52637%0.371SS..Hα-helixtrans-61.4-36.3-170.423.8-33.7000112.8N355 R359 V360 E361N355-P357 VanDerWaalsContact O-CD 3.25Å; N355-P357 WeakPolarHBondContact O-CD 3.46Å; P357-R359 VanDerWaalsContact C-N 3.26Å; P357-R359 PolarHBondContact O-N 3.01Å; P357-V360 PolarHBondContact O-N 2.88Å; P357-E361 WeakPolarHBondContact O-CB 3.41Å; P357-E361 WeakPolarHBondContact O-CG 3.43Å; P357-E361 PolarHBondContact O-N 2.91Å
358K70.1Confident75.9Confident166 Ų16672.1 Ų72.172%0.72238%0.382SS*.Hα-helixtrans-60.4-35.8178.9-66-175.3178.1-1790112.5N356 A362N356-K358 VanDerWaalsContact C-N 3.3Å; N356-K358 PolarHBondContact O-N 3.41Å; N356-K358 PolarHBondContact OD1-N 3.47Å; K358-A362 VanDerWaalsContact O-CB 3.29Å; K358-A362 WeakPolarHBondContact O-CB 3.29Å; K358-A362 PolarHBondContact O-N 3.05Å; K358-A362 VanDerWaalsContact O-N 3.1Å
359R67.6Low75.4Confident109 Ų10977 Ų7741%0.41139%0.394SS..Hα-helixtrans-79.8-35.6-180-67.8-173.1173.2-138.13.8111.7N356 P357 E363N356-R359 HydrophobicContact CB-CB 4.49Å; N356-R359 HydrophobicContact CB-CG 4.45Å; N356-R359 PolarHBondContact O-N 2.99Å; N356-R359 VanDerWaalsContact O-N 3.07Å; P357-R359 VanDerWaalsContact C-N 3.26Å; P357-R359 PolarHBondContact O-N 3.01Å; R359-E363 WeakPolarHBondContact O-CB 3.47Å; R359-E363 PolarHBondContact O-N 2.87Å
360V68.5Low74.7Confident29 Ų2976.7 Ų76.718%0.17640%0.399CS..Hα-helixtrans-65.3-42.8174.4176.90000110.8L354 N356 P357 E363 K364 P467L354-V360 VanDerWaalsContact O-CG2 3.31Å; L354-V360 WeakPolarHBondContact O-CG2 3.41Å; N356-V360 PolarHBondContact O-N 2.88Å; P357-V360 PolarHBondContact O-N 2.88Å; V360-E363 PolarHBondContact O-N 2.98Å; V360-K364 HydrophobicContact CG1-CD 4.26Å; V360-K364 WeakPolarHBondContact O-CB 3.39Å; V360-K364 VanDerWaalsContact O-CG 3.29Å; V360-K364 WeakPolarHBondContact O-CG 3.34Å; V360-K364 PolarHBondContact O-N 3.31Å; V360-P467 HydrophobicContact CG2-CG 4.34Å
361E69Low74.1Confident127 Ų12783.2 Ų83.259%0.59343%0.429SS*.Hα-helixtrans-66.7-43.1175.9-72.8171.8-175.600112.4P357 E363 K364 A365P357-E361 WeakPolarHBondContact O-CB 3.41Å; P357-E361 WeakPolarHBondContact O-CG 3.43Å; P357-E361 PolarHBondContact O-N 2.91Å; E361-E363 VanDerWaalsContact C-N 3.29Å; E361-E363 PolarHBondContact O-N 2.79Å; E361-K364 PolarHBondContact O-N 3.27Å; E361-A365 WeakPolarHBondContact O-CB 3.39Å; E361-A365 PolarHBondContact O-N 3.43Å
362A70.1Confident73.4Confident55 Ų5588.4 Ų88.446%0.45545%0.453SS..Hα-helixtrans-60.5-39175.300000112.1K358 A365 R366K358-A362 VanDerWaalsContact O-CB 3.29Å; K358-A362 WeakPolarHBondContact O-CB 3.29Å; K358-A362 PolarHBondContact O-N 3.05Å; K358-A362 VanDerWaalsContact O-N 3.1Å; A362-A365 PolarHBondContact O-N 2.89Å; A362-R366 WeakPolarHBondContact O-CG 3.45Å; A362-R366 PolarHBondContact O-N 3.37Å
363E69.5Low72.4Confident22 Ų2286.9 Ų86.910%0.10345%0.452CS..Hα-helixtrans-73.8-39.8178.2-161.675.6148.600112.4R359 V360 E361 A365 R366 I367 V465 T468R359-E363 WeakPolarHBondContact O-CB 3.47Å; R359-E363 PolarHBondContact O-N 2.87Å; V360-E363 PolarHBondContact O-N 2.98Å; E361-E363 VanDerWaalsContact C-N 3.29Å; E361-E363 PolarHBondContact O-N 2.79Å; E363-A365 VanDerWaalsContact C-N 3.25Å; E363-A365 PolarHBondContact O-N 3.11Å; E363-R366 PolarHBondContact O-N 3.1Å; E363-R366 VanDerWaalsContact O-N 3.08Å; E363-I367 HydrophobicContact CG-CD1 4.43Å; E363-I367 WeakPolarHBondContact O-CG1 3.2Å; E363-I367 PolarHBondContact O-N 3.31Å; E363-V465 HydrophobicContact CB-CG1 4.01Å; E363-V465 HydrophobicContact CG-CG1 3.87Å; E363-T468 VanDerWaalsContact OE1-CB 3.22Å; E363-T468 WeakPolarHBondContact OE1-CB 3.47Å; E363-T468 WeakPolarHBondContact OE1-CG2 3.32Å; E363-T468 PolarHBondContact OE1-N 3.45Å; E363-T468 PolarHBondContact OE1-OG1 2.92Å
364K71.8Confident71.3Confident112 Ų11292.1 Ų92.149%0.48748%0.48SS..Hα-helixtrans-56.1-42.2170.1-76.1172.7179.9179.20111.4V360 E361 I367 A368 V465V360-K364 HydrophobicContact CG1-CD 4.26Å; V360-K364 WeakPolarHBondContact O-CB 3.39Å; V360-K364 VanDerWaalsContact O-CG 3.29Å; V360-K364 WeakPolarHBondContact O-CG 3.34Å; V360-K364 PolarHBondContact O-N 3.31Å; E361-K364 PolarHBondContact O-N 3.27Å; K364-I367 PolarHBondContact O-N 2.92Å; K364-A368 WeakPolarHBondContact O-CB 3.35Å; K364-A368 PolarHBondContact O-N 3.31Å; K364-V465 HydrophobicContact CG-CB 4.28Å; K364-V465 HydrophobicContact CG-CG1 4.3Å; K364-V465 HydrophobicContact CG-CG2 3.94Å
365A72.4Confident70.3Confident49 Ų4994.6 Ų94.641%0.40551%0.51SS..Hα-helixtrans-66.9-33.2176.100000113E361 A362 E363 K369E361-A365 WeakPolarHBondContact O-CB 3.39Å; E361-A365 PolarHBondContact O-N 3.43Å; A362-A365 PolarHBondContact O-N 2.89Å; E363-A365 VanDerWaalsContact C-N 3.25Å; E363-A365 PolarHBondContact O-N 3.11Å; A365-K369 VanDerWaalsContact O-CG 3.3Å; A365-K369 WeakPolarHBondContact O-CG 3.29Å; A365-K369 PolarHBondContact O-N 3.45Å
366R74.5Confident68.9Low168 Ų16898 Ų9863%0.63452%0.519SS*.Hα-helixtrans-69.4-44173.2-74.5-175.390.3173.97.3112.4A362 E363 K369 A370A362-R366 WeakPolarHBondContact O-CG 3.45Å; A362-R366 PolarHBondContact O-N 3.37Å; E363-R366 PolarHBondContact O-N 3.1Å; E363-R366 VanDerWaalsContact O-N 3.08Å; R366-K369 PolarHBondContact O-N 2.73Å; R366-A370 PolarHBondContact O-N 3.36Å
367I75.3Confident67.2Low74 Ų7498.7 Ų98.738%0.37954%0.54SS..Hα-helixtrans-62.5-45.1178.1-65.2168.5000110E363 K364 K369 A370 E371 V465E363-I367 HydrophobicContact CG-CD1 4.43Å; E363-I367 WeakPolarHBondContact O-CG1 3.2Å; E363-I367 PolarHBondContact O-N 3.31Å; K364-I367 PolarHBondContact O-N 2.92Å; I367-K369 VanDerWaalsContact C-N 3.28Å; I367-K369 PolarHBondContact O-N 2.82Å; I367-A370 PolarHBondContact O-N 3.42Å; I367-A370 VanDerWaalsContact O-N 3.1Å; I367-E371 HydrophobicContact CG2-CG 4.44Å; I367-E371 WeakPolarHBondContact O-CG 3.44Å; I367-E371 PolarHBondContact O-N 3.44Å; I367-V465 HydrophobicContact CD1-CG1 3.69Å
368A76.6Confident65.7Low39 Ų3997.9 Ų97.932%0.32255%0.546SS..Hα-helixtrans-59.6-36.7175.800000113K364 Q372K364-A368 WeakPolarHBondContact O-CB 3.35Å; K364-A368 PolarHBondContact O-N 3.31Å; A368-Q372 WeakPolarHBondContact O-CB 3.38Å; A368-Q372 WeakPolarHBondContact O-CG 3.38Å; A368-Q372 PolarHBondContact O-N 3.07Å
369K77.3Confident64.2Low153 Ų15398.3 Ų98.367%0.66556%0.556SS**Hα-helixtrans-71.1-34.6174.9-75.4177.9-178.7-1750113A365 R366 I367 A373A365-K369 VanDerWaalsContact O-CG 3.3Å; A365-K369 WeakPolarHBondContact O-CG 3.29Å; A365-K369 PolarHBondContact O-N 3.45Å; R366-K369 PolarHBondContact O-N 2.73Å; I367-K369 VanDerWaalsContact C-N 3.28Å; I367-K369 PolarHBondContact O-N 2.82Å; K369-A373 PolarHBondContact O-N 3.35Å
370A73.2Confident62.6Low62 Ų6297.8 Ų97.851%0.51258%0.576SS.*Hα-helixtrans-71.2-42.1177.600000111.8R366 I367 Q372 A373 D374R366-A370 PolarHBondContact O-N 3.36Å; I367-A370 PolarHBondContact O-N 3.42Å; I367-A370 VanDerWaalsContact O-N 3.1Å; A370-Q372 VanDerWaalsContact C-N 3.29Å; A370-Q372 PolarHBondContact O-N 3.04Å; A370-A373 WeakPolarHBondContact O-CB 3.39Å; A370-A373 PolarHBondContact O-N 3.43Å; A370-A373 VanDerWaalsContact O-N 3.09Å; A370-D374 PolarHBondContact O-N 3.06Å
371E73.5Confident61.1Low136 Ų136101.1 Ų101.164%0.63661%0.606SS**Hα-helixtrans-62.5-35.9174.4-70.5178.2165.600112I367 A373 G375I367-E371 HydrophobicContact CG2-CG 4.44Å; I367-E371 WeakPolarHBondContact O-CG 3.44Å; I367-E371 PolarHBondContact O-N 3.44Å; E371-A373 VanDerWaalsContact C-N 3.32Å; E371-A373 PolarHBondContact O-N 3.1Å; E371-G375 PolarHBondContact O-N 2.86Å; E371-G375 VanDerWaalsContact O-N 3.09Å
372Q68.5Low59.3Low139 Ų139105.5 Ų105.565%0.6562%0.623SS**Hα-helixtrans-70.3-25.1174.2-73.9172.910.100113.7A368 A370A368-Q372 WeakPolarHBondContact O-CB 3.38Å; A368-Q372 WeakPolarHBondContact O-CG 3.38Å; A368-Q372 PolarHBondContact O-N 3.07Å; A370-Q372 VanDerWaalsContact C-N 3.29Å; A370-Q372 PolarHBondContact O-N 3.04Å
373A63.4Low57.3Low69 Ų69112.4 Ų112.457%0.5764%0.643SS**Hα-helixtrans-79.5-38.7175.700000111.6K369 A370 E371 K376K369-A373 PolarHBondContact O-N 3.35Å; A370-A373 WeakPolarHBondContact O-CB 3.39Å; A370-A373 PolarHBondContact O-N 3.43Å; A370-A373 VanDerWaalsContact O-N 3.09Å; E371-A373 VanDerWaalsContact C-N 3.32Å; E371-A373 PolarHBondContact O-N 3.1Å; A373-K376 PolarHBondContact O-N 3.27Å
374D57.9Low55.6Low146 Ų146119 Ų11978%0.78168%0.679SS**Hα-helixtrans-72.3-32.1178.8-136.218.9000111.9A370 K376 G377A370-D374 PolarHBondContact O-N 3.06Å; D374-K376 PolarHBondContact O-N 3.36Å; D374-G377 PolarHBondContact O-N 2.98Å
375G53.9Low53.4Low69 Ų69120.4 Ų120.471%0.71170%0.697SS**THydrogen-bonded Turntrans-68.5-7.7173.400000115.6E371E371-G375 PolarHBondContact O-N 2.86Å; E371-G375 VanDerWaalsContact O-N 3.09Å
376K46.3Very low51.5Low194 Ų194123.9 Ų123.984%0.84371%0.713SS**THydrogen-bonded Turntrans-99-3.6178.8-92.4-179.6174.3178.70114.6A373 D374A373-K376 PolarHBondContact O-N 3.27Å; D374-K376 PolarHBondContact O-N 3.36Å
377G43.6Very low49.2Very low74 Ų74123.4 Ų123.476%0.76372%0.723SS**SBendtrans-99.1-3.9-177.800000116.6D374D374-G377 PolarHBondContact O-N 2.98Å
378G37.3Very low46.8Very low63 Ų63122.9 Ų122.965%0.64974%0.736SS**  trans-126.255.1-164.300000115.9
379N37.3Very low44.4Very low175 Ų175128.4 Ų128.494%0.93677%0.766SS**  trans-124.273.8163.1-93.3-13.6000110
380A34.9Very low41.9Very low99 Ų99124.9 Ų124.982%0.81877%0.773SS**  trans-139.9119.7161.200000108.7
381A37.8Very low39.7Very low98 Ų98128.5 Ų128.581%0.8179%0.789SS**  trans-47.8143.1-175.100000114.5
382K29.6Very low37.7Very low219 Ų219127.7 Ų127.795%0.95280%0.796SS**  trans-155.6133.7143.3-109.5165.4-169.6-177.10112.6
383K29.8Very low35.8Very low201 Ų201127.9 Ų127.987%0.87481%0.806SS**  trans-61.6154.5-176.7-78168.3165.9173.40113.2
384N32.5Very low34Very low159 Ų159132.4 Ų132.485%0.8582%0.815SS**  trans-30.9129160.2-64.2-19.6000113.7
385T26.9Very low32.6Very low142 Ų142133 Ų13387%0.87182%0.817SS**  trans-155.7136.4138.7-21.60000110.7
386V31Very low31.4Very low123 Ų123134.5 Ų134.575%0.74582%0.816SS**  trans-77.5163.4174.6171.30000109.9
387N26Very low30.7Very low157 Ų157131.6 Ų131.684%0.8481%0.814SS**  trans95121.6-179.7-51.6-25.7000111.8
388G25.7Very low29.9Very low64 Ų64135.8 Ų135.866%0.6682%0.819SS**  cis134.6141.623.800000106.3
389T25.7Very low29.3Very low154 Ų154142.1 Ų142.195%0.94583%0.831SS**  trans79.489.3176.467.30000117.4
390G26.2Very low29.1Very low79 Ų79139.8 Ų139.881%0.81482%0.823SS**  trans-107.7129.2159.200000109.9
391T27Very low28.8Very low139 Ų139137.8 Ų137.885%0.85381%0.812SS**PPolyproline II helixtrans-87.9139164.537.80000109.6
392P30.4Very low28.4Very low119 Ų119139.9 Ų139.977%0.77381%0.805SS**PPolyproline II helixtrans-89.6133.7-169.433.7-31.3000111.9
393V28.3Very low28.7Very low142 Ų142136.2 Ų136.286%0.86180%0.801SS**PPolyproline II helixtrans-92.9122.3161.5175.70000107.9I395V393-I395 PolarHBondContact O-N 3.43Å
394H26.6Very low28.9Very low165 Ų165133.6 Ų133.676%0.76479%0.786SS**PPolyproline II helixtrans-59.8121178-92.1-95.1000112.3
395I27.4Very low29.2Very low159 Ų159131.4 Ų131.482%0.81578%0.782SS**  trans-118.4107.6151.6-76.7171.1000106.9V393V393-I395 PolarHBondContact O-N 3.43Å
396S29.5Very low29.9Very low100 Ų100133.6 Ų133.670%0.69978%0.779SS**  trans-86.1111.8170.5-59.20000109
397T31.2Very low30.7Very low132 Ų132135.7 Ų135.781%0.8178%0.778SS**  trans-163114.6131.930.10000108.1Q399T397-Q399 PolarHBondContact O-N 3.26Å
398L27.7Very low31.8Very low163 Ų163132.1 Ų132.185%0.85376%0.762SS**  trans-53.4125167-93.7118.7000110.6V400L398-V400 HydrophobicContact CD2-CG2 3.96Å
399Q25Very low33Very low195 Ų195130 Ų13091%0.91174%0.736SS**  trans-112.3112.2143.7-79.1-169.7-26.900107.4T397 G401T397-Q399 PolarHBondContact O-N 3.26Å; Q399-G401 VanDerWaalsContact C-N 3.28Å; Q399-G401 PolarHBondContact O-N 3.33Å
400V32.5Very low34.3Very low127 Ų127129 Ų12977%0.7773%0.73SS**  trans-66.692.4166.11750000107L398L398-V400 HydrophobicContact CD2-CG2 3.96Å
401G28.4Very low35.5Very low57 Ų57127 Ų12759%0.58871%0.705SS**  trans-94.6102.4159.900000107.7Q399 T403Q399-G401 VanDerWaalsContact C-N 3.28Å; Q399-G401 PolarHBondContact O-N 3.33Å; G401-T403 VanDerWaalsContact C-N 3.34Å; G401-T403 PolarHBondContact O-N 2.94Å; G401-T403 PolarHBondContact O-OG1 2.97Å
402E29.5Very low36.7Very low142 Ų142127.9 Ų127.966%0.66470%0.696SS**  trans-60.592178.8-165.2178.2-167.400110.2R404E402-R404 HydrophobicContact CG-CB 4.3Å; E402-R404 HydrophobicContact CG-CG 4.42Å; E402-R404 IonicContact OE1-CZ 3.07Å; E402-R404 IonicContact OE1-NE 2.8Å; E402-R404 IonicContact OE1-NH1 2.67Å; E402-R404 PolarHBondContact OE1-NH1 3.43Å
403T34.8Very low37.8Very low141 Ų141126.1 Ų126.187%0.86569%0.687SS**  trans-98.272.316415.20000107.5G401 C405G401-T403 VanDerWaalsContact C-N 3.34Å; G401-T403 PolarHBondContact O-N 2.94Å; G401-T403 PolarHBondContact O-OG1 2.97Å; T403-C405 PolarHBondContact O-N 2.81Å; T403-C405 VanDerWaalsContact O-N 3.17Å
404R34.3Very low38.7Very low146 Ų146123.2 Ų123.255%0.55167%0.667SS**  trans-74.3103.8173.7-115.5-178179.9143.8-7.4109.1E402 K406 Y438E402-R404 HydrophobicContact CG-CB 4.3Å; E402-R404 HydrophobicContact CG-CG 4.42Å; E402-R404 IonicContact OE1-CZ 3.07Å; E402-R404 IonicContact OE1-NE 2.8Å; E402-R404 IonicContact OE1-NH1 2.67Å; E402-R404 PolarHBondContact OE1-NH1 3.43Å; R404-K406 PolarHBondContact O-N 2.98Å; R404-Y438 VanDerWaalsContact NH2-CE1 3.29Å; R404-Y438 PolarHBondContact NH2-OH 3.27Å
405C39.9Very low39.8Very low113 Ų113119 Ų11976%0.76465%0.649SS**  trans-59.7121.1161.7-94.10000108.8T403 K407T403-C405 PolarHBondContact O-N 2.81Å; T403-C405 VanDerWaalsContact O-N 3.17Å; C405-K407 PolarHBondContact O-N 3.27Å
406K41Very low40.7Very low189 Ų189122 Ų12282%0.82265%0.65SS**  trans-60.1104.3169.7-66.5179.8177.6-175.50108.4R404R404-K406 PolarHBondContact O-N 2.98Å
407K48.4Very low41.5Very low167 Ų167121.8 Ų121.873%0.72665%0.649SS**PPolyproline II helixtrans-100.1130.5169.1-83-173.9176.8-179.20108.4C405 C437C405-K407 PolarHBondContact O-N 3.27Å; K407-C437 PolarHBondContact O-SG 3Å
408V49.5Very low42.2Very low81 Ų81121 Ų12149%0.49164%0.64SS.*PPolyproline II helixtrans-84.9131171.3-1800000107.6I442V408-I442 HydrophobicContact CG2-CD1 4.22Å
409C50.8Low42.8Very low19 Ų19121.8 Ų121.813%0.12865%0.645CS.*PPolyproline II helixtrans-74.3129.1177.9-86.40000110L432 C437C409-L432 HydrophobicContact CB-CD2 4.06Å; C409-C437 VanDerWaalsContact CA-SG 3.55Å; C409-C437 HydrophobicContact CB-CB 4.43Å; C409-C437 WeakPolarHBondContact CB-SG 3.44Å; C409-C437 PolarHBondContact N-SG 3.36Å; C409-C437 VanDerWaalsContact N-SG 3.38Å; C409-C437 WeakPolarHBondContact SG-CB 3.49Å; C409-C437 CovalentContact SG-SG 2.04Å; C409-C437 PolarHBondContact SG-SG 3.47Å
410T51.5Low43.5Very low133 Ų133121 Ų12182%0.81664%0.639SS**  trans-103-3.8-178.554.40000113.6
411S51Low44.1Very low39 Ų39119.9 Ų119.927%0.27364%0.637SS.*SBendtrans-149.1153.8178.285.80000114S413 D414S411-S413 PolarHBondContact O-N 3.42Å; S411-S413 PolarHBondContact OG-N 3.05Å; S411-S413 PolarHBondContact OG-OG 3.09Å; S411-D414 PolarHBondContact N-OD2 3.37Å; S411-D414 PolarHBondContact O-N 3.38Å; S411-D414 PolarHBondContact OG-OD2 3.06Å
412K52.1Low45.3Very low157 Ų157122.4 Ų122.468%0.68364%0.635SS**G310 helixtrans-65.2-17.9175.2-108.4179.1179.5173.20113.8D414K412-D414 VanDerWaalsContact C-N 3.34Å
413S54Low46.2Very low82 Ų82119.4 Ų119.457%0.57363%0.627SS**G310 helixtrans-73.7-21.6179.916.60000113.6S411 L415 R416S411-S413 PolarHBondContact O-N 3.42Å; S411-S413 PolarHBondContact OG-N 3.05Å; S411-S413 PolarHBondContact OG-OG 3.09Å; S413-L415 VanDerWaalsContact C-N 3.31Å; S413-L415 PolarHBondContact O-N 3.28Å; S413-R416 PolarHBondContact O-N 3.18Å
414D47.2Very low46.8Very low81 Ų81116.9 Ų116.943%0.43363%0.628SS.*G310 helixtrans-75.7-16.4-175.3-62.8-50.5000113.7S411 K412 R416S411-D414 PolarHBondContact N-OD2 3.37Å; S411-D414 PolarHBondContact O-N 3.38Å; S411-D414 PolarHBondContact OG-OD2 3.06Å; K412-D414 VanDerWaalsContact C-N 3.34Å; D414-R416 VanDerWaalsContact C-N 3.29Å; D414-R416 PolarHBondContact O-N 3.19Å
415L49.8Very low47.4Very low76 Ų76114.6 Ų114.640%0.39864%0.635SS.*G310 helixtrans-77.4-6.7176.1-86.1103.2000114.4S413S413-L415 VanDerWaalsContact C-N 3.31Å; S413-L415 PolarHBondContact O-N 3.28Å
416R47.4Very low47.9Very low221 Ų221113 Ų11383%0.83462%0.618SS**G310 helixtrans-86.7-4.1-173.6-88.7-175.7154.9123.8-4115.6S413 D414S413-R416 PolarHBondContact O-N 3.18Å; D414-R416 VanDerWaalsContact C-N 3.29Å; D414-R416 PolarHBondContact O-N 3.19Å
417S45.5Very low48.2Very low97 Ų97108.2 Ų108.268%0.67861%0.607SS**SBendtrans-97.14.6-16974.50000116.8
418N44.9Very low48.3Very low116 Ų116112 Ų11262%0.6262%0.617SS**SBendtrans-129.9144.6174.7-68.7-59.8000111.5F420N418-F420 PolarHBondContact O-N 3.18Å
419D40.4Very low48.1Very low179 Ų179115.3 Ų115.396%0.95763%0.631SS**SBendtrans-6328.4-165.9-76-34.8000117.9
420F41.6Very low48Very low177 Ų177118.9 Ų118.978%0.77665%0.645SS**  trans-145.895.9168.3-151.6-98.3000111.5N418 I422N418-F420 PolarHBondContact O-N 3.18Å; F420-I422 HydrophobicContact CD1-CD1 4.13Å; F420-I422 HydrophobicContact CD1-CG1 3.72Å; F420-I422 HydrophobicContact CE1-CD1 4.46Å; F420-I422 HydrophobicContact CE1-CG1 4.04Å; F420-I422 PolarHBondContact O-N 3.16Å
421S44.6Very low48.1Very low104 Ų104119.3 Ų119.373%0.72764%0.637SS**  trans-80.596.3-17862.90000112.2V423S421-V423 PolarHBondContact O-N 2.88Å
422I52.7Low48Very low110 Ų110119.8 Ų119.856%0.56464%0.637SS**  trans-87.254.7170-51.8172.4000109.8F420F420-I422 HydrophobicContact CD1-CD1 4.13Å; F420-I422 HydrophobicContact CD1-CG1 3.72Å; F420-I422 HydrophobicContact CE1-CD1 4.46Å; F420-I422 HydrophobicContact CE1-CG1 4.04Å; F420-I422 PolarHBondContact O-N 3.16Å
423V48.1Very low48Very low80 Ų80115.8 Ų115.849%0.48563%0.629SS.*  trans-114.6-2-176-162.40000112.7S421 S425S421-V423 PolarHBondContact O-N 2.88Å; V423-S425 PolarHBondContact O-N 2.76Å
424G47.5Very low48Very low87 Ų87115.6 Ų115.690%0.89762%0.621SS**SBendtrans-77-13.6-179.100000115.9
425S47.1Very low48.3Very low99 Ų99116.3 Ų116.369%0.69262%0.618SS**SBendtrans-135.423.3-165.852.50000115.4V423V423-S425 PolarHBondContact O-N 2.76Å
426L50Low48.5Very low79 Ų79114.7 Ų114.741%0.41461%0.61SS.*  trans-92.6126.5175.8-77.2164.3000111.4F430L426-F430 HydrophobicContact CD2-CD1 4.18Å; L426-F430 HydrophobicContact CD2-CD2 4Å; L426-F430 HydrophobicContact CD2-CE1 4.32Å; L426-F430 HydrophobicContact CD2-CE2 4.15Å; L426-F430 HydrophobicContact CD2-CG 4.02Å; L426-F430 HydrophobicContact CD2-CZ 4.31Å
427P49.1Very low48.8Very low88 Ų88106.7 Ų106.757%0.57159%0.587SS**  trans-57.6157175.4-22.232.5000112.4D429P427-D429 PolarHBondContact O-N 2.04Å
428R49.5Very low49.2Very low248 Ų248108.7 Ų108.794%0.93658%0.581SS**THydrogen-bonded Turntrans-61.7-13.3-176.9-78.3-166.9-171.5-1654.5114.2
429D44.8Very low49.4Very low149 Ų149105.7 Ų105.780%0.79758%0.578SS**THydrogen-bonded Turntrans-113.420.8-164.8-36.3-17000112.7P427P427-D429 PolarHBondContact O-N 2.04Å
430F49.8Very low50Low94 Ų94104.5 Ų104.541%0.41256%0.564SS.*  trans-83.2114.6-174.2-169.9-98.5000113.1L426 L432 Y435L426-F430 HydrophobicContact CD2-CD1 4.18Å; L426-F430 HydrophobicContact CD2-CD2 4Å; L426-F430 HydrophobicContact CD2-CE1 4.32Å; L426-F430 HydrophobicContact CD2-CE2 4.15Å; L426-F430 HydrophobicContact CD2-CG 4.02Å; L426-F430 HydrophobicContact CD2-CZ 4.31Å; F430-L432 HydrophobicContact CD1-CD1 4.28Å; F430-L432 HydrophobicContact CE1-CD1 4.24Å; F430-Y435 HydrophobicContact CZ-CD2 4.4Å; F430-Y435 HydrophobicContact CZ-CE2 4.5Å
431E52.7Low50.4Low142 Ų142100.4 Ų100.466%0.66456%0.556SS**  trans-83.7123.2177-78.3-168153.100113.1
432L49.1Very low50.8Low50 Ų5098.9 Ų98.926%0.26254%0.539SS..G310 helixtrans-83.4-11.7-172-14179.2000114.5C409 F430 N434C409-L432 HydrophobicContact CB-CD2 4.06Å; F430-L432 HydrophobicContact CD1-CD1 4.28Å; F430-L432 HydrophobicContact CE1-CD1 4.24Å; L432-N434 VanDerWaalsContact C-N 3.33Å; L432-N434 PolarHBondContact O-N 3.32Å
433S53.1Low50.3Low73 Ų73102.9 Ų102.951%0.5156%0.555SS.*G310 helixtrans-74.6-17.5-169.249.10000114.7
434N52.3Low50Low78 Ų78104.6 Ų104.642%0.41757%0.565SS.*G310 helixtrans-98.13.5-175.6-69.4-31.8000114L432 P441 I442L432-N434 VanDerWaalsContact C-N 3.33Å; L432-N434 PolarHBondContact O-N 3.32Å; N434-P441 CarbonylContact O-C 3.6Å; N434-P441 WeakPolarHBondContact O-CA 3.48Å; N434-I442 PolarHBondContact O-N 3.5Å
435Y53.5Low49.3Very low95 Ų95108 Ų10837%0.37356%0.563SS.*BIsolated β-bridgetrans-131.5142.4-176.6-68.9-93000112.4F430 K440 P441F430-Y435 HydrophobicContact CZ-CD2 4.4Å; F430-Y435 HydrophobicContact CZ-CE2 4.5Å; Y435-K440 VanDerWaalsContact CA-O 3.31Å; Y435-K440 WeakPolarHBondContact CA-O 3.26Å; Y435-P441 HydrophobicContact CD1-CB 4.17Å; Y435-P441 HydrophobicContact CE1-CB 3.7Å; Y435-P441 HydrophobicContact CE1-CG 4.21Å
436D55.7Low48.5Very low42 Ų42110.8 Ų110.823%0.22557%0.57CS.*  trans-65.8153.1167176.9-40.7000110Y438 G439 K440D436-Y438 PolarHBondContact O-N 2.89Å; D436-Y438 VanDerWaalsContact OD1-CD2 3.26Å; D436-Y438 WeakPolarHBondContact OD1-CD2 3.41Å; D436-Y438 PolarHBondContact OD1-N 3.03Å; D436-G439 PolarHBondContact O-N 3.38Å; D436-K440 PolarHBondContact N-O 3.16Å
437C52Low47.9Very low53 Ų53110.3 Ų110.336%0.35858%0.584SS.*THydrogen-bonded Turntrans-53-8171.5-57.10000115.4K407 C409K407-C437 PolarHBondContact O-SG 3Å; C409-C437 VanDerWaalsContact CA-SG 3.55Å; C409-C437 HydrophobicContact CB-CB 4.43Å; C409-C437 WeakPolarHBondContact CB-SG 3.44Å; C409-C437 PolarHBondContact N-SG 3.36Å; C409-C437 VanDerWaalsContact N-SG 3.38Å; C409-C437 WeakPolarHBondContact SG-CB 3.49Å; C409-C437 CovalentContact SG-SG 2.04Å; C409-C437 PolarHBondContact SG-SG 3.47Å
438Y54.1Low47Very low139 Ų139115.2 Ų115.255%0.54561%0.605SS.*THydrogen-bonded Turntrans-107.712.5170.4-61.5-76000114.7R404 D436R404-Y438 VanDerWaalsContact NH2-CE1 3.29Å; R404-Y438 PolarHBondContact NH2-OH 3.27Å; D436-Y438 PolarHBondContact O-N 2.89Å; D436-Y438 VanDerWaalsContact OD1-CD2 3.26Å; D436-Y438 WeakPolarHBondContact OD1-CD2 3.41Å; D436-Y438 PolarHBondContact OD1-N 3.03Å
439G50.3Low46Very low54 Ų54107.1 Ų107.156%0.55760%0.598SS**SBendtrans84.219.5169.500000116.6D436D436-G439 PolarHBondContact O-N 3.38Å
440K51.8Low45.2Very low153 Ų153110.3 Ų110.367%0.66561%0.605SS**  trans-98.6135.3177.2-70.5-169.3177.7-176.70112.5Y435 D436Y435-K440 VanDerWaalsContact CA-O 3.31Å; Y435-K440 WeakPolarHBondContact CA-O 3.26Å; D436-K440 PolarHBondContact N-O 3.16Å
441P50.3Low44.3Very low92 Ų92110.8 Ų110.860%0.59762%0.62SS**BIsolated β-bridgetrans-69142.1179.525.4-30.5000111.9N434 Y435N434-P441 CarbonylContact O-C 3.6Å; N434-P441 WeakPolarHBondContact O-CA 3.48Å; Y435-P441 HydrophobicContact CD1-CB 4.17Å; Y435-P441 HydrophobicContact CE1-CB 3.7Å; Y435-P441 HydrophobicContact CE1-CG 4.21Å
442I52.6Low43.4Very low72 Ų72113.3 Ų113.337%0.36963%0.632SS.*  trans-97.5113.2-179.5-58.1172.3000108.6V408 N434V408-I442 HydrophobicContact CG2-CD1 4.22Å; N434-I442 PolarHBondContact O-N 3.5Å
443E43Very low42.7Very low193 Ų193115.6 Ų115.690%0.90266%0.657SS**  trans-75.7124.8174.7-69.8-177.5173.200111.1
444V41.3Very low41.9Very low117 Ų117121.1 Ų121.171%0.70967%0.672SS**  trans-112.3118.4174.7-166.90000107.9
445N32.8Very low41.1Very low158 Ų158125.1 Ų125.185%0.84569%0.694SS**  trans-123.9109.3-177.6-144.84.3000111.3
446N30Very low40.3Very low157 Ų157128.7 Ų128.784%0.8472%0.719SS**  trans-95.2141162.9-78.8-20.7000107.5
447G37.2Very low39.6Very low69 Ų69136.5 Ų136.571%0.71175%0.751SS**  cis-174.7167.3-3.200000108.6
448L32.1Very low38.7Very low192 Ų192143.4 Ų143.4100%1.00578%0.775SS**  trans63.7111.6179.3-87.693.8000119.3
449G26.8Very low37.9Very low77 Ų77142 Ų14279%0.79478%0.783SS**  trans171.5117.3163.300000112.1
450K28.6Very low37.4Very low217 Ų217144.7 Ų144.794%0.94379%0.791SS**  trans-58.5134.3-170-73.3173.5174.7174.50113.7Q452K450-Q452 PolarHBondContact O-N 3.49Å
451S30.3Very low36.8Very low104 Ų104143.4 Ų143.473%0.72780%0.798SS**  trans-67.8106174.8177.50000112.3
452Q34.9Very low36.7Very low195 Ų195143.4 Ų143.491%0.91181%0.806SS**  trans-137.981.5151-84.5-155.3-9.300109.1K450K450-Q452 PolarHBondContact O-N 3.49Å
453A33.3Very low36.5Very low97 Ų97149.1 Ų149.180%0.80283%0.828SS**  trans17961.5156.600000110.6
454K36.4Very low37.1Very low190 Ų190144.1 Ų144.183%0.82681%0.812SS**  trans-124.885.8160.9-95.4-173.9179.2173.10108
455N37Very low37.8Very low161 Ų161140.4 Ų140.486%0.86179%0.79SS**  trans-162.743160-107.30.1000113.4
456N36.8Very low39.1Very low171 Ų171134.4 Ų134.491%0.91476%0.757SS**  trans-138.761.2167.2-89.8-24.9000110.9K458N456-K458 PolarHBondContact O-N 2.94Å
457K40.7Very low40.6Very low206 Ų206127.2 Ų127.290%0.89672%0.719SS**  trans-81106.7150.7-91-175.2176-178.90106.2
458K32.8Very low41.8Very low197 Ų197127.3 Ų127.386%0.85771%0.706SS**PPolyproline II helixtrans-49.2129.8166.1-95.4179.3176.7176.60107.7N456N456-K458 PolarHBondContact O-N 2.94Å
459P37.2Very low43.2Very low109 Ų109119.8 Ų119.871%0.70867%0.671SS**PPolyproline II helixtrans-59.1149.4175.323.5-30.3000109.3
460P39.2Very low45Very low112 Ų112116.1 Ų116.173%0.72763%0.634SS**PPolyproline II helixtrans-52.1144.8171.823-32.1000109.4A462P460-A462 PolarHBondContact O-N 3.45Å
461P38.9Very low47Very low126 Ų126111.1 Ų111.182%0.81861%0.612SS**PPolyproline II helixtrans-52.6128.9179.521.9-31.6000108.9K463P461-K463 PolarHBondContact O-N 3.01Å
462A48.8Very low49.1Very low92 Ų92113.1 Ų113.176%0.7660%0.604SS**PPolyproline II helixtrans-53.7128.6179.900000108.8P460P460-A462 PolarHBondContact O-N 3.45Å
463K48.2Very low51.2Low192 Ų192106.2 Ų106.284%0.83557%0.572SS**PPolyproline II helixtrans-51.9129.4174.3-68.9-178.8179.8-179.80107.9P461 V465P461-K463 PolarHBondContact O-N 3.01Å; K463-V465 PolarHBondContact O-N 3.42Å; K463-V465 VanDerWaalsContact O-N 3.13Å
464P55Low53.4Low87 Ų87101.7 Ų101.757%0.56554%0.535SS*.PPolyproline II helixtrans-56.1123.4177.920.2-29.6000108.8D293 I466D293-P464 WeakPolarHBondContact OD2-CG 3.45Å; P464-I466 PolarHBondContact O-N 3Å; P464-I466 VanDerWaalsContact O-N 3.14Å
465V57.1Low55.6Low40 Ų4097.6 Ų97.624%0.24252%0.521CS..  trans-80.597.4177.4177.10000106.6E363 K364 I367 K463 P467E363-V465 HydrophobicContact CB-CG1 4.01Å; E363-V465 HydrophobicContact CG-CG1 3.87Å; K364-V465 HydrophobicContact CG-CB 4.28Å; K364-V465 HydrophobicContact CG-CG1 4.3Å; K364-V465 HydrophobicContact CG-CG2 3.94Å; I367-V465 HydrophobicContact CD1-CG1 3.69Å; K463-V465 PolarHBondContact O-N 3.42Å; K463-V465 VanDerWaalsContact O-N 3.13Å; V465-P467 VanDerWaalsContact O-CD 3.24Å; V465-P467 WeakPolarHBondContact O-CD 3.33Å
466I60.3Low57.8Low31 Ų3196.9 Ų96.916%0.15951%0.507CS..  trans-69.3115.1176.1-53.1170.8000108.1P292 D293 L354 P464 T468 K471P292-I466 HydrophobicContact CG-CG2 4.25Å; D293-I466 WeakPolarHBondContact OD1-CG1 3.43Å; D293-I466 WeakPolarHBondContact OD2-CD1 3.39Å; D293-I466 VanDerWaalsContact OD2-CG1 3.32Å; D293-I466 WeakPolarHBondContact OD2-CG1 3.37Å; L354-I466 HydrophobicContact CD2-CG2 3.84Å; P464-I466 PolarHBondContact O-N 3Å; P464-I466 VanDerWaalsContact O-N 3.14Å; I466-T468 PolarHBondContact O-N 3.36Å; I466-K471 HydrophobicContact CG2-CD 4.35Å; I466-K471 HydrophobicContact CG2-CG 3.93Å
467P60.8Low60.2Low6 Ų689 Ų894%0.03947%0.466CS..  trans-58.5130.5173.9-20.232.9000110.2V360 V465 A469 A470V360-P467 HydrophobicContact CG2-CG 4.34Å; V465-P467 VanDerWaalsContact O-CD 3.24Å; V465-P467 WeakPolarHBondContact O-CD 3.33Å; P467-A469 PolarHBondContact O-N 3.46Å; P467-A470 PolarHBondContact O-N 3.3Å
468T62.4Low62.5Low72 Ų7283 Ų8344%0.44244%0.438SS..Hα-helixtrans-52.1-27.5176.140.50000113.6E363 I466 A470 K471 R472E363-T468 VanDerWaalsContact OE1-CB 3.22Å; E363-T468 WeakPolarHBondContact OE1-CB 3.47Å; E363-T468 WeakPolarHBondContact OE1-CG2 3.32Å; E363-T468 PolarHBondContact OE1-N 3.45Å; E363-T468 PolarHBondContact OE1-OG1 2.92Å; I466-T468 PolarHBondContact O-N 3.36Å; T468-A470 PolarHBondContact O-N 3.01Å; T468-K471 PolarHBondContact O-N 3Å; T468-R472 WeakPolarHBondContact O-CG 3.42Å; T468-R472 PolarHBondContact O-N 3.37Å; T468-R472 VanDerWaalsContact O-N 3.14Å
469A61.7Low65.2Low33 Ų3376.8 Ų76.827%0.27342%0.424SS..Hα-helixtrans-62.8-36.6174.800000113.9P467 R472 I473P467-A469 PolarHBondContact O-N 3.46Å; A469-R472 PolarHBondContact O-N 3.04Å; A469-I473 PolarHBondContact O-N 3.21Å
470A64.6Low67.7Low0 Ų076.5 Ų76.50%042%0.415CS..Hα-helixtrans-69.6-42.6178.300000111.2V350 L354 P467 T468 R472 I473 D474V350-A470 HydrophobicContact CG1-CB 4.39Å; L354-A470 HydrophobicContact CD2-CB 3.7Å; L354-A470 HydrophobicContact CG-CB 4.23Å; P467-A470 PolarHBondContact O-N 3.3Å; T468-A470 PolarHBondContact O-N 3.01Å; A470-R472 VanDerWaalsContact C-N 3.27Å; A470-R472 PolarHBondContact O-N 3.06Å; A470-I473 PolarHBondContact O-N 3.21Å; A470-D474 PolarHBondContact O-N 3.12Å
471K69.7Low70.2Confident113 Ų11372.4 Ų72.449%0.49139%0.386SS..Hα-helixtrans-62.2-32.4174.6-72.1-176.7176.8178.60113I466 T468 L475I466-K471 HydrophobicContact CG2-CD 4.35Å; I466-K471 HydrophobicContact CG2-CG 3.93Å; T468-K471 PolarHBondContact O-N 3Å; K471-L475 WeakPolarHBondContact O-CB 3.42Å; K471-L475 PolarHBondContact O-N 3.08Å
472R75.8Confident72.7Confident146 Ų14668.6 Ų68.655%0.55136%0.362SS*.Hα-helixtrans-67-36176.4-78.718068.1-165.7-0.2112.2T468 A469 A470 L475 Y476T468-R472 WeakPolarHBondContact O-CG 3.42Å; T468-R472 PolarHBondContact O-N 3.37Å; T468-R472 VanDerWaalsContact O-N 3.14Å; A469-R472 PolarHBondContact O-N 3.04Å; A470-R472 VanDerWaalsContact C-N 3.27Å; A470-R472 PolarHBondContact O-N 3.06Å; R472-L475 WeakPolarHBondContact O-CB 3.34Å; R472-L475 PolarHBondContact O-N 3.08Å; R472-Y476 HydrophobicContact CB-CE2 4.45Å; R472-Y476 PolarHBondContact NH2-OH 3.09Å; R472-Y476 WeakPolarHBondContact O-CD2 3.32Å; R472-Y476 PolarHBondContact O-N 3.01Å
473I77.6Confident74.8Confident49 Ų4970.9 Ų70.925%0.25136%0.355SS..Hα-helixtrans-68.4-49.7179.7-64.6169.2000110E346 V350 M353 A469 A470 L475 Y476 A477E346-I473 HydrophobicContact CG-CG2 4.32Å; E346-I473 WeakPolarHBondContact OE1-CG2 3.47Å; V350-I473 HydrophobicContact CG2-CB 4.33Å; V350-I473 HydrophobicContact CG2-CG2 4.05Å; M353-I473 HydrophobicContact CE-CD1 3.72Å; M353-I473 HydrophobicContact SD-CD1 3.21Å; M353-I473 WeakPolarHBondContact SD-CD1 3.03Å; A469-I473 PolarHBondContact O-N 3.21Å; A470-I473 PolarHBondContact O-N 3.21Å; I473-L475 PolarHBondContact O-N 3.35Å; I473-Y476 PolarHBondContact O-N 3.37Å; I473-Y476 VanDerWaalsContact O-N 3.15Å; I473-A477 WeakPolarHBondContact O-CB 3.27Å; I473-A477 PolarHBondContact O-N 2.92Å
474D80.5Confident77Confident2 Ų263.9 Ų63.91%0.01133%0.33CS..Hα-helixtrans-54.8-39.5172.8-74.7-44.9000110.7R298 A470 A477 R478R298-D474 IonicContact CZ-OD1 2.85Å; R298-D474 IonicContact CZ-OD2 3.77Å; R298-D474 IonicContact NH1-OD1 3.74Å; R298-D474 PolarHBondContact NH1-OD1 3.33Å; R298-D474 IonicContact NH1-OD2 2.84Å; R298-D474 PolarHBondContact NH1-OD2 2.87Å; R298-D474 VanDerWaalsContact NH2-CG 3.35Å; R298-D474 IonicContact NH2-OD1 3.97Å; R298-D474 PolarHBondContact NH2-OD1 3.43Å; R298-D474 IonicContact NH2-OD2 3.79Å; R298-D474 PolarHBondContact NH2-OD2 3.18Å; A470-D474 PolarHBondContact O-N 3.12Å; D474-A477 PolarHBondContact O-N 3.31Å; D474-R478 WeakPolarHBondContact O-CD 3.03Å; D474-R478 WeakPolarHBondContact O-CG 3.22Å; D474-R478 PolarHBondContact O-N 3.47Å
475L81.6Confident78.9Confident104 Ų10460.2 Ų60.255%0.54531%0.305SS..Hα-helixtrans-65.3-43.4178.8-172.770.2000113K471 R472 I473K471-L475 WeakPolarHBondContact O-CB 3.42Å; K471-L475 PolarHBondContact O-N 3.08Å; R472-L475 WeakPolarHBondContact O-CB 3.34Å; R472-L475 PolarHBondContact O-N 3.08Å; I473-L475 PolarHBondContact O-N 3.35Å
476Y85.1Confident80.6Confident146 Ų14663.5 Ų63.557%0.57332%0.321SS*.Hα-helixtrans-68.7-41.4175.1-75-65.6000111.4R472 I473 R478 A479 L480R472-Y476 HydrophobicContact CB-CE2 4.45Å; R472-Y476 PolarHBondContact NH2-OH 3.09Å; R472-Y476 WeakPolarHBondContact O-CD2 3.32Å; R472-Y476 PolarHBondContact O-N 3.01Å; I473-Y476 PolarHBondContact O-N 3.37Å; I473-Y476 VanDerWaalsContact O-N 3.15Å; Y476-R478 VanDerWaalsContact C-N 3.29Å; Y476-R478 PolarHBondContact O-N 3.42Å; Y476-A479 PolarHBondContact O-N 2.98Å; Y476-A479 VanDerWaalsContact O-N 3.16Å; Y476-L480 WeakPolarHBondContact O-CB 3.48Å; Y476-L480 PolarHBondContact O-N 3.49Å
477A87.1Confident82.3Confident6 Ų667.9 Ų67.95%0.0534%0.338CS..Hα-helixtrans-60.8-37.2179.400000112.1F288 E346 I473 D474 A479 L480 F481F288-A477 HydrophobicContact CD1-CB 4.32Å; F288-A477 HydrophobicContact CD2-CB 3.77Å; F288-A477 HydrophobicContact CE1-CB 4.37Å; F288-A477 HydrophobicContact CE2-CB 3.79Å; F288-A477 HydrophobicContact CG-CB 4.06Å; F288-A477 HydrophobicContact CZ-CB 4.11Å; E346-A477 HydrophobicContact CG-CB 4.19Å; I473-A477 WeakPolarHBondContact O-CB 3.27Å; I473-A477 PolarHBondContact O-N 2.92Å; D474-A477 PolarHBondContact O-N 3.31Å; A477-A479 PolarHBondContact O-N 2.57Å; A477-L480 PolarHBondContact O-N 3.24Å; A477-F481 HydrophobicContact CB-CD2 4.08Å; A477-F481 HydrophobicContact CB-CE2 4.29Å; A477-F481 WeakPolarHBondContact O-CB 3.49Å; A477-F481 PolarHBondContact O-N 3.27Å; A477-F481 VanDerWaalsContact O-N 3.1Å
478R88.8Confident83.9Confident79 Ų7969.5 Ų69.530%0.29835%0.345SS..Hα-helixtrans-57.1-30.8175.3-75.8166.5-162.8-172.40.2114.5F288 D474 Y476 P482F288-R478 HydrophobicContact CB-CG 3.97Å; F288-R478 PolarHBondContact O-NE 3.12Å; F288-R478 PolarHBondContact O-NH2 3.03Å; D474-R478 WeakPolarHBondContact O-CD 3.03Å; D474-R478 WeakPolarHBondContact O-CG 3.22Å; D474-R478 PolarHBondContact O-N 3.47Å; Y476-R478 VanDerWaalsContact C-N 3.29Å; Y476-R478 PolarHBondContact O-N 3.42Å; R478-P482 WeakPolarHBondContact O-CD 3.35Å; R478-P482 WeakPolarHBondContact O-CG 3.43Å
479A87.9Confident85.4Confident68 Ų6867.1 Ų67.156%0.56233%0.33SS*.Hα-helixtrans-96.9-43.5178.600000111.6Y476 A477 F483Y476-A479 PolarHBondContact O-N 2.98Å; Y476-A479 VanDerWaalsContact O-N 3.16Å; A477-A479 PolarHBondContact O-N 2.57Å; A479-F483 VanDerWaalsContact O-CB 3.25Å; A479-F483 WeakPolarHBondContact O-CB 3.41Å; A479-F483 PolarHBondContact O-N 3.31Å
480L90.8Very high87Confident102 Ų10269.8 Ų69.853%0.53434%0.343SS..Hα-helixtrans-65.7-46.5-173.4-176.167.4000112.3Y476 A477 F483 C484Y476-L480 WeakPolarHBondContact O-CB 3.48Å; Y476-L480 PolarHBondContact O-N 3.49Å; A477-L480 PolarHBondContact O-N 3.24Å; L480-F483 PolarHBondContact O-N 2.82Å; L480-C484 WeakPolarHBondContact O-CB 3.36Å; L480-C484 PolarHBondContact O-N 3.1Å; L480-C484 PolarHBondContact O-SG 2.8Å
481F91.9Very high88.5Confident26 Ų2673 Ų7311%0.11436%0.359CS..Hα-helixtrans-64.6-52-175.4-91.4-104.5000112.6W285 F288 F339 A342 A477 F483 C484 F485W285-F481 HydrophobicContact CD2-CB 4.34Å; W285-F481 HydrophobicContact CE3-CB 3.62Å; W285-F481 HydrophobicContact CE3-CD1 4.1Å; W285-F481 HydrophobicContact CE3-CG 4.36Å; W285-F481 VanDerWaalsContact CZ3-C 3.5Å; W285-F481 HydrophobicContact CZ3-CB 4.11Å; W285-F481 WeakPolarHBondContact CZ3-O 3.31Å; F288-F481 HydrophobicContact CE2-CB 3.94Å; F288-F481 HydrophobicContact CE2-CD1 4.09Å; F288-F481 AromaticContact CE2-CD2 3.6Å; F288-F481 HydrophobicContact CE2-CD2 3.6Å; F288-F481 HydrophobicContact CE2-CE1 4.48Å; F288-F481 HydrophobicContact CE2-CE2 4.04Å; F288-F481 AromaticContact CE2-CG 3.63Å; F288-F481 HydrophobicContact CE2-CG 3.63Å; F288-F481 HydrophobicContact CE2-CZ 4.45Å; F288-F481 HydrophobicContact CZ-CD1 4.16Å; F288-F481 AromaticContact CZ-CD2 3.85Å; F288-F481 HydrophobicContact CZ-CD2 3.85Å; F288-F481 HydrophobicContact CZ-CE1 4.09Å; F288-F481 AromaticContact CZ-CE2 3.78Å; F288-F481 HydrophobicContact CZ-CE2 3.78Å; F288-F481 HydrophobicContact CZ-CG 4.03Å; F288-F481 AromaticContact CZ-CZ 3.91Å; F288-F481 HydrophobicContact CZ-CZ 3.91Å; F339-F481 HydrophobicContact CD1-CD1 4.18Å; A342-F481 HydrophobicContact CB-CE1 3.8Å; A342-F481 HydrophobicContact CB-CZ 3.86Å; A477-F481 HydrophobicContact CB-CD2 4.08Å; A477-F481 HydrophobicContact CB-CE2 4.29Å; A477-F481 WeakPolarHBondContact O-CB 3.49Å; A477-F481 PolarHBondContact O-N 3.27Å; A477-F481 VanDerWaalsContact O-N 3.1Å; F481-F483 VanDerWaalsContact C-N 3.3Å; F481-F483 PolarHBondContact O-N 3.19Å; F481-C484 PolarHBondContact O-N 2.96Å; F481-F485 WeakPolarHBondContact O-CB 3.15Å; F481-F485 PolarHBondContact O-N 2.87Å
482P91.4Very high89.7Confident47 Ų4767.8 Ų67.831%0.30534%0.336SS..Hα-helixtrans-59.6-39.3175.5-26.436.5000113.3W285 R478 L486W285-P482 HydrophobicContact CD2-CG 4.34Å; W285-P482 HydrophobicContact CH2-CB 4.2Å; W285-P482 HydrophobicContact CH2-CG 4.36Å; W285-P482 HydrophobicContact CZ2-CB 4.14Å; W285-P482 HydrophobicContact CZ2-CG 4.1Å; R478-P482 WeakPolarHBondContact O-CD 3.35Å; R478-P482 WeakPolarHBondContact O-CG 3.43Å; P482-L486 VanDerWaalsContact O-CB 3.22Å; P482-L486 WeakPolarHBondContact O-CB 3.41Å; P482-L486 PolarHBondContact O-N 3.21Å
483F93.1Very high90.5Very high139 Ų13963.6 Ų63.661%0.6132%0.32SS*.Hα-helixtrans-65.1-48.6178.3-179.1-95.5000112.1A479 L480 F481 F485 L486 F487A479-F483 VanDerWaalsContact O-CB 3.25Å; A479-F483 WeakPolarHBondContact O-CB 3.41Å; A479-F483 PolarHBondContact O-N 3.31Å; L480-F483 PolarHBondContact O-N 2.82Å; F481-F483 VanDerWaalsContact C-N 3.3Å; F481-F483 PolarHBondContact O-N 3.19Å; F483-F485 VanDerWaalsContact C-N 3.32Å; F483-F485 PolarHBondContact O-N 3.08Å; F483-L486 PolarHBondContact O-N 2.87Å; F483-F487 WeakPolarHBondContact O-CB 3.46Å; F483-F487 PolarHBondContact O-N 3.05Å
484C94.1Very high91.2Very high46 Ų4665.1 Ų65.131%0.31134%0.336SS..Hα-helixtrans-61.8-40.2178.3-72.30000112F339 L480 F481 F487 F488F339-C484 HydrophobicContact CE1-CB 3.92Å; F339-C484 HydrophobicContact CZ-CB 4.11Å; L480-C484 WeakPolarHBondContact O-CB 3.36Å; L480-C484 PolarHBondContact O-N 3.1Å; L480-C484 PolarHBondContact O-SG 2.8Å; F481-C484 PolarHBondContact O-N 2.96Å; C484-F487 PolarHBondContact O-N 3.39Å; C484-F488 WeakPolarHBondContact O-CB 3.3Å; C484-F488 PolarHBondContact O-N 3.21Å
485F94.2Very high91.8Very high10 Ų1070.3 Ų70.34%0.04436%0.362CS..Hα-helixtrans-72.4-36.4178.4-174.8-108.9000112.4L278 V281 W285 W332 F339 F481 F483 F488 N489L278-F485 HydrophobicContact CG-CE1 4.14Å; L278-F485 HydrophobicContact CG-CZ 4.45Å; V281-F485 HydrophobicContact CB-CE2 4.4Å; V281-F485 HydrophobicContact CB-CZ 4.22Å; V281-F485 HydrophobicContact CG1-CD1 4.43Å; V281-F485 HydrophobicContact CG1-CD2 4.03Å; V281-F485 HydrophobicContact CG1-CE1 4.29Å; V281-F485 HydrophobicContact CG1-CE2 3.91Å; V281-F485 HydrophobicContact CG1-CG 4.29Å; V281-F485 HydrophobicContact CG1-CZ 4.04Å; V281-F485 HydrophobicContact CG2-CE2 4.37Å; V281-F485 HydrophobicContact CG2-CZ 4.45Å; W285-F485 HydrophobicContact CH2-CB 3.52Å; W285-F485 AromaticContact CH2-CD1 3.57Å; W285-F485 HydrophobicContact CH2-CD1 3.57Å; W285-F485 AromaticContact CH2-CG 3.76Å; W285-F485 HydrophobicContact CH2-CG 3.76Å; W285-F485 HydrophobicContact CZ2-CD1 4.48Å; W285-F485 HydrophobicContact CZ3-CB 3.51Å; W285-F485 HydrophobicContact CZ3-CD1 4.22Å; W285-F485 AromaticContact CZ3-CG 3.95Å; W285-F485 HydrophobicContact CZ3-CG 3.95Å; W332-F485 HydrophobicContact CH2-CZ 4.36Å; F339-F485 HydrophobicContact CD1-CB 4.47Å; F339-F485 AromaticContact CD2-CD2 3.66Å; F339-F485 HydrophobicContact CD2-CD2 3.66Å; F339-F485 HydrophobicContact CD2-CE2 4.29Å; F339-F485 HydrophobicContact CE1-CB 4.11Å; F339-F485 HydrophobicContact CE2-CB 4.45Å; F339-F485 AromaticContact CE2-CD2 3.77Å; F339-F485 HydrophobicContact CE2-CD2 3.77Å; F339-F485 HydrophobicContact CG-CD2 4.11Å; F339-F485 HydrophobicContact CZ-CB 4.11Å; F339-F485 HydrophobicContact CZ-CD2 4.28Å; F481-F485 WeakPolarHBondContact O-CB 3.15Å; F481-F485 PolarHBondContact O-N 2.87Å; F483-F485 VanDerWaalsContact C-N 3.32Å; F483-F485 PolarHBondContact O-N 3.08Å; F485-F488 HydrophobicContact CD2-CD1 4.28Å; F485-F488 HydrophobicContact CE2-CD1 4.24Å; F485-F488 WeakPolarHBondContact O-CB 3.37Å; F485-F488 PolarHBondContact O-N 3.38Å; F485-N489 WeakPolarHBondContact CD1-ND2 3.21Å; F485-N489 WeakPolarHBondContact CE1-ND2 3.43Å; F485-N489 WeakPolarHBondContact CZ-ND2 3.46Å; F485-N489 PolarHBondContact O-N 2.72Å; F485-N489 PolarHBondContact O-ND2 3.01Å
486L93.8Very high92.1Very high109 Ų10968.1 Ų68.157%0.57135%0.347SS*.Hα-helixtrans-64.5-42.5173.2-173145.5000111P482 F483 N489 V490P482-L486 VanDerWaalsContact O-CB 3.22Å; P482-L486 WeakPolarHBondContact O-CB 3.41Å; P482-L486 PolarHBondContact O-N 3.21Å; F483-L486 PolarHBondContact O-N 2.87Å; L486-N489 WeakPolarHBondContact O-CB 3.44Å; L486-N489 PolarHBondContact O-N 3.5Å; L486-V490 HydrophobicContact CD2-CG2 4.21Å; L486-V490 WeakPolarHBondContact O-CG2 3.25Å; L486-V490 PolarHBondContact O-N 3.15Å
487F95.1Very high92Very high122 Ų12269 Ų6954%0.53536%0.361SS..Hα-helixtrans-60.2-45.1173.5-179.6-105.9000112F483 C484 N489 V490 I491F483-F487 WeakPolarHBondContact O-CB 3.46Å; F483-F487 PolarHBondContact O-N 3.05Å; C484-F487 PolarHBondContact O-N 3.39Å; F487-N489 VanDerWaalsContact C-N 3.33Å; F487-N489 PolarHBondContact O-N 2.92Å; F487-V490 PolarHBondContact O-N 3.13Å; F487-I491 HydrophobicContact CD1-CD1 3.84Å; F487-I491 HydrophobicContact CD2-CD1 4.46Å; F487-I491 HydrophobicContact CE1-CD1 3.26Å; F487-I491 HydrophobicContact CE1-CG1 4.44Å; F487-I491 HydrophobicContact CE2-CD1 3.96Å; F487-I491 HydrophobicContact CG-CD1 4.41Å; F487-I491 HydrophobicContact CZ-CD1 3.35Å; F487-I491 HydrophobicContact CZ-CG1 4.35Å; F487-I491 PolarHBondContact O-N 3.46Å; F487-I491 VanDerWaalsContact O-N 3.07Å
488F95.4Very high92.2Very high40 Ų4072.2 Ų72.218%0.17538%0.376CS..Hα-helixtrans-57.2-45.7172.8168.1-100.6000111.8W332 A335 F339 C484 F485 V490 I491 Y492W332-F488 AromaticContact CE3-CE1 3.74Å; W332-F488 HydrophobicContact CE3-CE1 3.74Å; W332-F488 HydrophobicContact CE3-CZ 4.28Å; W332-F488 AromaticContact CZ3-CE1 3.94Å; W332-F488 HydrophobicContact CZ3-CE1 3.94Å; A335-F488 HydrophobicContact CB-CD1 4.32Å; A335-F488 HydrophobicContact CB-CD2 4.2Å; A335-F488 HydrophobicContact CB-CE1 3.67Å; A335-F488 HydrophobicContact CB-CE2 3.54Å; A335-F488 HydrophobicContact CB-CZ 3.24Å; F339-F488 HydrophobicContact CE2-CB 4.37Å; F339-F488 HydrophobicContact CE2-CG 4.48Å; C484-F488 WeakPolarHBondContact O-CB 3.3Å; C484-F488 PolarHBondContact O-N 3.21Å; F485-F488 HydrophobicContact CD2-CD1 4.28Å; F485-F488 HydrophobicContact CE2-CD1 4.24Å; F485-F488 WeakPolarHBondContact O-CB 3.37Å; F485-F488 PolarHBondContact O-N 3.38Å; F488-V490 PolarHBondContact O-N 3.45Å; F488-I491 PolarHBondContact O-N 3.22Å; F488-Y492 HydrophobicContact CE2-CD2 4.41Å; F488-Y492 AromaticContact CZ-CD2 3.91Å; F488-Y492 HydrophobicContact CZ-CD2 3.91Å; F488-Y492 HydrophobicContact CZ-CG 4.2Å; F488-Y492 WeakPolarHBondContact O-CB 3.16Å; F488-Y492 PolarHBondContact O-N 3.35Å
489N94.3Very high92.4Very high22 Ų2271.8 Ų71.812%0.11838%0.381CS..Hα-helixtrans-59.3-49177.7-88.8-93.6000111.4W332 F485 L486 F487 I491 Y492 W493W332-N489 WeakPolarHBondContact CH2-OD1 3.49Å; W332-N489 VanDerWaalsContact CZ3-OD1 3.29Å; W332-N489 WeakPolarHBondContact CZ3-OD1 3.36Å; F485-N489 WeakPolarHBondContact CD1-ND2 3.21Å; F485-N489 WeakPolarHBondContact CE1-ND2 3.43Å; F485-N489 WeakPolarHBondContact CZ-ND2 3.46Å; F485-N489 PolarHBondContact O-N 2.72Å; F485-N489 PolarHBondContact O-ND2 3.01Å; L486-N489 WeakPolarHBondContact O-CB 3.44Å; L486-N489 PolarHBondContact O-N 3.5Å; F487-N489 VanDerWaalsContact C-N 3.33Å; F487-N489 PolarHBondContact O-N 2.92Å; N489-I491 VanDerWaalsContact C-N 3.3Å; N489-I491 PolarHBondContact O-N 2.99Å; N489-Y492 PolarHBondContact O-N 2.91Å; N489-W493 WeakPolarHBondContact O-CB 3.49Å; N489-W493 PolarHBondContact O-N 3.13Å; N489-W493 PolarHBondContact OD1-NE1 3.44Å; N489-W493 VanDerWaalsContact OD1-NE1 3.14Å
490V94.9Very high92.6Very high90 Ų9072.1 Ų72.155%0.54537%0.371SS..Hα-helixtrans-56.8-46.4179.3171.90000110.9L486 F487 F488 S494L486-V490 HydrophobicContact CD2-CG2 4.21Å; L486-V490 WeakPolarHBondContact O-CG2 3.25Å; L486-V490 PolarHBondContact O-N 3.15Å; F487-V490 PolarHBondContact O-N 3.13Å; F488-V490 PolarHBondContact O-N 3.45Å; V490-S494 VanDerWaalsContact O-CB 3.23Å; V490-S494 WeakPolarHBondContact O-CB 3.26Å; V490-S494 PolarHBondContact O-N 3.06Å; V490-S494 PolarHBondContact O-OG 3.12Å
491I95.6Very high92.7Very high67 Ų6770.3 Ų70.334%0.34436%0.361SS..Hα-helixtrans-64-50.9177.4-69.2175.9000110.9F487 F488 N489 W493 S494 I495F487-I491 HydrophobicContact CD1-CD1 3.84Å; F487-I491 HydrophobicContact CD2-CD1 4.46Å; F487-I491 HydrophobicContact CE1-CD1 3.26Å; F487-I491 HydrophobicContact CE1-CG1 4.44Å; F487-I491 HydrophobicContact CE2-CD1 3.96Å; F487-I491 HydrophobicContact CG-CD1 4.41Å; F487-I491 HydrophobicContact CZ-CD1 3.35Å; F487-I491 HydrophobicContact CZ-CG1 4.35Å; F487-I491 PolarHBondContact O-N 3.46Å; F487-I491 VanDerWaalsContact O-N 3.07Å; F488-I491 PolarHBondContact O-N 3.22Å; N489-I491 VanDerWaalsContact C-N 3.3Å; N489-I491 PolarHBondContact O-N 2.99Å; I491-W493 PolarHBondContact O-N 3.14Å; I491-S494 WeakPolarHBondContact CA-OG 3.39Å; I491-S494 PolarHBondContact O-N 3.32Å; I491-S494 PolarHBondContact O-OG 3.37Å; I491-I495 HydrophobicContact CG2-CD1 3.64Å; I491-I495 HydrophobicContact CG2-CG1 4.49Å; I491-I495 WeakPolarHBondContact O-CG1 3.4Å; I491-I495 PolarHBondContact O-N 3.38Å; I491-I495 VanDerWaalsContact O-N 3.13Å
492Y94.9Very high92.8Very high4 Ų473.1 Ų73.12%0.01638%0.376CS..Hα-helixtrans-56.1-54.8-176.8179.6-92.4000111.1Y274 A328 V331 W332 F488 N489 S494 I495 Y496Y274-Y492 AromaticContact CE1-CE1 3.78Å; Y274-Y492 HydrophobicContact CE1-CE1 3.78Å; Y274-Y492 PolarHBondContact OH-OH 2.82Å; A328-Y492 PolarHBondContact O-OH 3.1Å; A328-Y492 VanDerWaalsContact O-OH 3.09Å; V331-Y492 HydrophobicContact CB-CE2 4.43Å; V331-Y492 HydrophobicContact CG1-CE2 4.5Å; W332-Y492 HydrophobicContact CB-CE1 4.47Å; W332-Y492 HydrophobicContact CB-CE2 3.88Å; W332-Y492 HydrophobicContact CD2-CE1 4.44Å; W332-Y492 AromaticContact CE3-CD1 3.63Å; W332-Y492 HydrophobicContact CE3-CD1 3.63Å; W332-Y492 HydrophobicContact CE3-CD2 4.34Å; W332-Y492 AromaticContact CE3-CE1 3.7Å; W332-Y492 HydrophobicContact CE3-CE1 3.7Å; W332-Y492 HydrophobicContact CE3-CE2 4.4Å; W332-Y492 AromaticContact CE3-CG 3.98Å; W332-Y492 HydrophobicContact CE3-CG 3.98Å; W332-Y492 AromaticContact CZ3-CD1 3.98Å; W332-Y492 HydrophobicContact CZ3-CD1 3.98Å; W332-Y492 HydrophobicContact CZ3-CE1 4.36Å; W332-Y492 HydrophobicContact CZ3-CG 4.43Å; F488-Y492 HydrophobicContact CE2-CD2 4.41Å; F488-Y492 AromaticContact CZ-CD2 3.91Å; F488-Y492 HydrophobicContact CZ-CD2 3.91Å; F488-Y492 HydrophobicContact CZ-CG 4.2Å; F488-Y492 WeakPolarHBondContact O-CB 3.16Å; F488-Y492 PolarHBondContact O-N 3.35Å; N489-Y492 PolarHBondContact O-N 2.91Å; Y492-S494 VanDerWaalsContact C-N 3.28Å; Y492-S494 PolarHBondContact O-N 3.41Å; Y492-I495 PolarHBondContact O-N 3.41Å; Y492-Y496 HydrophobicContact CD1-CD2 4.48Å; Y492-Y496 AromaticContact CD2-CD2 3.56Å; Y492-Y496 HydrophobicContact CD2-CD2 3.56Å; Y492-Y496 AromaticContact CD2-CE2 3.7Å; Y492-Y496 HydrophobicContact CD2-CE2 3.7Å; Y492-Y496 HydrophobicContact CE1-CD2 4.42Å; Y492-Y496 AromaticContact CE2-CD2 3.47Å; Y492-Y496 HydrophobicContact CE2-CD2 3.47Å; Y492-Y496 VanDerWaalsContact CE2-CD2 3.47Å; Y492-Y496 AromaticContact CE2-CE2 3.65Å; Y492-Y496 HydrophobicContact CE2-CE2 3.65Å; Y492-Y496 HydrophobicContact CE2-CG 4.36Å; Y492-Y496 HydrophobicContact CG-CD2 4.07Å; Y492-Y496 AromaticContact CZ-CD2 3.92Å; Y492-Y496 VanDerWaalsContact O-CD2 3.27Å; Y492-Y496 WeakPolarHBondContact O-CD2 3.45Å; Y492-Y496 PolarHBondContact O-N 2.73Å; Y492-Y496 VanDerWaalsContact O-N 3.1Å
493W93.4Very high92.9Very high57 Ų5774.8 Ų74.822%0.21638%0.381CS..Hα-helixtrans-67.3-27.9-179.3-63.7111.5000112.3M192 M270 Y274 W332 N489 I491 I495 L497M192-W493 HydrophobicContact CE-CE3 3.94Å; M192-W493 HydrophobicContact CE-CH2 4.04Å; M192-W493 HydrophobicContact CE-CZ3 3.24Å; M270-W493 HydrophobicContact CE-CH2 3.43Å; M270-W493 VanDerWaalsContact CE-CH2 3.43Å; M270-W493 HydrophobicContact CE-CZ2 4.26Å; M270-W493 HydrophobicContact CE-CZ3 3.71Å; M270-W493 HydrophobicContact SD-CH2 3.5Å; M270-W493 VanDerWaalsContact SD-CH2 3.5Å; M270-W493 HydrophobicContact SD-CZ3 3.77Å; Y274-W493 AromaticContact CD1-CH2 3.66Å; Y274-W493 HydrophobicContact CD1-CH2 3.66Å; Y274-W493 AromaticContact CD1-CZ2 3.69Å; Y274-W493 HydrophobicContact CD1-CZ2 3.69Å; Y274-W493 HydrophobicContact CD2-CH2 4.36Å; Y274-W493 AromaticContact CE1-CH2 3.84Å; Y274-W493 HydrophobicContact CE1-CH2 3.84Å; Y274-W493 HydrophobicContact CE1-CZ2 4.05Å; Y274-W493 AromaticContact CG-CH2 3.96Å; Y274-W493 HydrophobicContact CG-CH2 3.96Å; Y274-W493 HydrophobicContact CG-CZ2 4.26Å; W332-W493 HydrophobicContact CH2-CZ2 4.24Å; W332-W493 HydrophobicContact CZ3-CZ2 4.08Å; W332-W493 AromaticContact CZ3-NE1 3.75Å; N489-W493 WeakPolarHBondContact O-CB 3.49Å; N489-W493 PolarHBondContact O-N 3.13Å; N489-W493 PolarHBondContact OD1-NE1 3.44Å; N489-W493 VanDerWaalsContact OD1-NE1 3.14Å; I491-W493 PolarHBondContact O-N 3.14Å; W493-I495 VanDerWaalsContact C-N 3.34Å; W493-L497 HydrophobicContact CE3-CD1 3.63Å; W493-L497 HydrophobicContact CZ3-CD1 4.02Å; W493-L497 WeakPolarHBondContact O-CB 3.33Å; W493-L497 PolarHBondContact O-N 2.89Å
494S92.3Very high92.9Very high82 Ų8270.2 Ų70.257%0.57337%0.365SS*.Hα-helixtrans-73-22.6175.371.50000114.9V490 I491 Y492V490-S494 VanDerWaalsContact O-CB 3.23Å; V490-S494 WeakPolarHBondContact O-CB 3.26Å; V490-S494 PolarHBondContact O-N 3.06Å; V490-S494 PolarHBondContact O-OG 3.12Å; I491-S494 WeakPolarHBondContact CA-OG 3.39Å; I491-S494 PolarHBondContact O-N 3.32Å; I491-S494 PolarHBondContact O-OG 3.37Å; Y492-S494 VanDerWaalsContact C-N 3.28Å; Y492-S494 PolarHBondContact O-N 3.41Å
495I92.1Very high92.8Very high110 Ų11072.1 Ų72.156%0.56437%0.369SS*.Hα-helixtrans-92.7-39.6-178.4-69.1172000110.9I491 Y492 W493I491-I495 HydrophobicContact CG2-CD1 3.64Å; I491-I495 HydrophobicContact CG2-CG1 4.49Å; I491-I495 WeakPolarHBondContact O-CG1 3.4Å; I491-I495 PolarHBondContact O-N 3.38Å; I491-I495 VanDerWaalsContact O-N 3.13Å; Y492-I495 PolarHBondContact O-N 3.41Å; W493-I495 VanDerWaalsContact C-N 3.34Å
496Y88.5Confident92.7Very high59 Ų5977.3 Ų77.323%0.23140%0.396CS..Hα-helixtrans-99.9-10.5-168.9-67.8-70000114.5L189 A328 Y492L189-Y496 HydrophobicContact CD2-CD1 3.75Å; L189-Y496 HydrophobicContact CD2-CE1 4.15Å; A328-Y496 HydrophobicContact CB-CD1 3.37Å; A328-Y496 HydrophobicContact CB-CE1 3.47Å; A328-Y496 VanDerWaalsContact CB-CE1 3.47Å; A328-Y496 HydrophobicContact CB-CG 3.94Å; Y492-Y496 HydrophobicContact CD1-CD2 4.48Å; Y492-Y496 AromaticContact CD2-CD2 3.56Å; Y492-Y496 HydrophobicContact CD2-CD2 3.56Å; Y492-Y496 AromaticContact CD2-CE2 3.7Å; Y492-Y496 HydrophobicContact CD2-CE2 3.7Å; Y492-Y496 HydrophobicContact CE1-CD2 4.42Å; Y492-Y496 AromaticContact CE2-CD2 3.47Å; Y492-Y496 HydrophobicContact CE2-CD2 3.47Å; Y492-Y496 VanDerWaalsContact CE2-CD2 3.47Å; Y492-Y496 AromaticContact CE2-CE2 3.65Å; Y492-Y496 HydrophobicContact CE2-CE2 3.65Å; Y492-Y496 HydrophobicContact CE2-CG 4.36Å; Y492-Y496 HydrophobicContact CG-CD2 4.07Å; Y492-Y496 AromaticContact CZ-CD2 3.92Å; Y492-Y496 VanDerWaalsContact O-CD2 3.27Å; Y492-Y496 WeakPolarHBondContact O-CD2 3.45Å; Y492-Y496 PolarHBondContact O-N 2.73Å; Y492-Y496 VanDerWaalsContact O-N 3.1Å
497L81.8Confident92.6Very high165 Ų16574.4 Ų74.486%0.86438%0.38SS*.  trans-114.40178.9-153.9145.8000109.8M192 W493M192-L497 HydrophobicContact CE-CD1 4.43Å; W493-L497 HydrophobicContact CE3-CD1 3.63Å; W493-L497 HydrophobicContact CZ3-CD1 4.02Å; W493-L497 WeakPolarHBondContact O-CB 3.33Å; W493-L497 PolarHBondContact O-N 2.89Å

Retrieved 497 of 497 residues in 85.4 ms (Link to these results)

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