A0A077Z852_TRITR Loading...

Splicing factor, arginine

AlphaFold DB , UniProt , Accession A0A077Z852, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 156 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
1M81.7Confident94.3Very high218 Ų218131.7 Ų131.7100%1.07458%0.582SS**  0-48.30-69.3-173.9-168.100113.5F3 E4 A5M1-F3 PolarHBondContact O-N 3.31Å; M1-E4 PolarHBondContact O-N 3.37Å; M1-A5 PolarHBondContact O-N 3.45Å
2W92.2Very high94.5Very high176 Ų176128.6 Ų128.667%0.66757%0.573SS**Hα-helixtrans-57.8-43.3-175.6-177.176.4000115.5E4 A5 R6W2-E4 PolarHBondContact O-N 3.18Å; W2-A5 PolarHBondContact O-N 3.45Å; W2-R6 PolarHBondContact O-N 3.18Å
3F94.9Very high94.6Very high162 Ų162130.5 Ų130.571%0.71157%0.574SS**Hα-helixtrans-62.4-40.9179.2-70.3-71.8000113.3M1 R6 R7M1-F3 PolarHBondContact O-N 3.31Å; F3-R6 PolarHBondContact O-N 3.35Å; F3-R7 WeakPolarHBondContact O-CB 3.44Å; F3-R7 PolarHBondContact O-N 2.96Å
4E95.8Very high94.7Very high104 Ų104128.1 Ų128.149%0.48658%0.576SS.*Hα-helixtrans-64.5-43.4175.4-79.9-62140.600111.3M1 W2 R6 R7 Q8M1-E4 PolarHBondContact O-N 3.37Å; W2-E4 PolarHBondContact O-N 3.18Å; E4-R6 VanDerWaalsContact C-N 3.33Å; E4-R6 PolarHBondContact O-N 3.3Å; E4-R7 WeakPolarHBondContact O-CB 3.49Å; E4-R7 PolarHBondContact O-N 3.43Å; E4-R7 VanDerWaalsContact O-N 3.13Å; E4-R7 IonicContact OE1-NH1 3.86Å; E4-Q8 WeakPolarHBondContact O-CG 3.41Å; E4-Q8 PolarHBondContact O-N 3.39Å
5A96Very high94.9Very high60 Ų60124.9 Ų124.950%0.49657%0.565SS.*Hα-helixtrans-58.6-44174.800000112M1 W2 R7 Q8 E9M1-A5 PolarHBondContact O-N 3.45Å; W2-A5 PolarHBondContact O-N 3.45Å; A5-R7 VanDerWaalsContact C-N 3.32Å; A5-R7 PolarHBondContact O-N 3.13Å; A5-Q8 PolarHBondContact O-N 2.99Å; A5-E9 WeakPolarHBondContact O-CB 3.5Å; A5-E9 PolarHBondContact O-N 3.13Å
6R96.2Very high95Very high104 Ų104124.9 Ų124.939%0.39257%0.568SS.*Hα-helixtrans-63.7-36.4176.1-159.388.2174.5109.3-2.8112.2W2 F3 E4 E9 R10W2-R6 PolarHBondContact O-N 3.18Å; F3-R6 PolarHBondContact O-N 3.35Å; E4-R6 VanDerWaalsContact C-N 3.33Å; E4-R6 PolarHBondContact O-N 3.3Å; R6-E9 IonicContact CZ-OE2 3.88Å; R6-E9 IonicContact NH1-OE1 3.61Å; R6-E9 IonicContact NH1-OE2 2.72Å; R6-E9 PolarHBondContact NH1-OE2 3.45Å; R6-R10 WeakPolarHBondContact O-CG 3.46Å; R6-R10 PolarHBondContact O-N 2.94Å; R6-R10 VanDerWaalsContact O-N 3.12Å
7R95.4Very high95.1Very high170 Ų170122.3 Ų122.364%0.64256%0.563SS**Hα-helixtrans-65.8-44.3175.8-170.6-179-175.5-176.42.3111.2F3 E4 A5 R10 K11F3-R7 WeakPolarHBondContact O-CB 3.44Å; F3-R7 PolarHBondContact O-N 2.96Å; E4-R7 WeakPolarHBondContact O-CB 3.49Å; E4-R7 PolarHBondContact O-N 3.43Å; E4-R7 VanDerWaalsContact O-N 3.13Å; E4-R7 IonicContact OE1-NH1 3.86Å; A5-R7 VanDerWaalsContact C-N 3.32Å; A5-R7 PolarHBondContact O-N 3.13Å; R7-R10 PolarHBondContact O-N 3.12Å; R7-K11 PolarHBondContact O-N 2.72Å
8Q96.4Very high95.2Very high93 Ų93119.2 Ų119.244%0.43555%0.551SS.*Hα-helixtrans-64.1-42.7175.3-63.9-54.8-29.900111.7E4 A5 R10 K11 I12E4-Q8 WeakPolarHBondContact O-CG 3.41Å; E4-Q8 PolarHBondContact O-N 3.39Å; A5-Q8 PolarHBondContact O-N 2.99Å; Q8-R10 VanDerWaalsContact C-N 3.35Å; Q8-R10 PolarHBondContact O-N 3.27Å; Q8-K11 WeakPolarHBondContact O-CB 3.5Å; Q8-K11 PolarHBondContact O-N 3.05Å; Q8-K11 VanDerWaalsContact O-N 3.13Å; Q8-I12 WeakPolarHBondContact O-CG1 3.38Å; Q8-I12 PolarHBondContact O-N 3.49Å
9E96.8Very high95.3Very high62 Ų62118.8 Ų118.829%0.2955%0.55SS..Hα-helixtrans-57.9-45.2177.3-166-16216000111.9A5 R6 K11 I12 R13A5-E9 WeakPolarHBondContact O-CB 3.5Å; A5-E9 PolarHBondContact O-N 3.13Å; R6-E9 IonicContact CZ-OE2 3.88Å; R6-E9 IonicContact NH1-OE1 3.61Å; R6-E9 IonicContact NH1-OE2 2.72Å; R6-E9 PolarHBondContact NH1-OE2 3.45Å; E9-K11 VanDerWaalsContact C-N 3.34Å; E9-K11 PolarHBondContact O-N 3.37Å; E9-I12 PolarHBondContact O-N 2.93Å; E9-R13 WeakPolarHBondContact O-CG 3.43Å; E9-R13 PolarHBondContact O-N 3.09Å; E9-R13 IonicContact OE1-CZ 3.2Å; E9-R13 VanDerWaalsContact OE1-CZ 3.27Å; E9-R13 IonicContact OE1-NE 2.69Å; E9-R13 PolarHBondContact OE1-NE 3.3Å; E9-R13 IonicContact OE1-NH2 2.79Å; E9-R13 PolarHBondContact OE1-NH2 2.96Å
10R95.7Very high95.4Very high168 Ų168119.8 Ų119.863%0.63455%0.552SS**Hα-helixtrans-61.3-40.8175.7-73.8177.6-179.3172.80.3112.2R6 R7 Q8 T14R6-R10 WeakPolarHBondContact O-CG 3.46Å; R6-R10 PolarHBondContact O-N 2.94Å; R6-R10 VanDerWaalsContact O-N 3.12Å; R7-R10 PolarHBondContact O-N 3.12Å; Q8-R10 VanDerWaalsContact C-N 3.35Å; Q8-R10 PolarHBondContact O-N 3.27Å; R10-T14 PolarHBondContact O-N 3.39Å; R10-T14 VanDerWaalsContact O-N 3.09Å; R10-T14 PolarHBondContact O-OG1 2.88Å
11K96.6Very high95.4Very high132 Ų132119.9 Ų119.957%0.57455%0.551SS**Hα-helixtrans-63.9-46.4177.6-168178-179.1-177.80111.2R7 Q8 E9 T14 I15R7-K11 PolarHBondContact O-N 2.72Å; Q8-K11 WeakPolarHBondContact O-CB 3.5Å; Q8-K11 PolarHBondContact O-N 3.05Å; Q8-K11 VanDerWaalsContact O-N 3.13Å; E9-K11 VanDerWaalsContact C-N 3.34Å; E9-K11 PolarHBondContact O-N 3.37Å; K11-T14 WeakPolarHBondContact O-CB 3.36Å; K11-T14 PolarHBondContact O-N 3.37Å; K11-I15 HydrophobicContact CG-CD1 4.22Å; K11-I15 WeakPolarHBondContact O-CG1 3.37Å; K11-I15 PolarHBondContact O-N 2.92Å; K11-I15 VanDerWaalsContact O-N 3.07Å
12I96.9Very high96.2Very high94 Ų94114 Ų11448%0.48252%0.517SS..Hα-helixtrans-61.6-47.2177.6-66.8167.4000110.9Q8 E9 T14 I15 M16Q8-I12 WeakPolarHBondContact O-CG1 3.38Å; Q8-I12 PolarHBondContact O-N 3.49Å; E9-I12 PolarHBondContact O-N 2.93Å; I12-T14 VanDerWaalsContact C-N 3.28Å; I12-T14 PolarHBondContact O-N 2.79Å; I12-I15 WeakPolarHBondContact O-CB 3.49Å; I12-I15 PolarHBondContact O-N 2.75Å; I12-I15 VanDerWaalsContact O-N 3.15Å; I12-M16 HydrophobicContact CG2-CG 4.3Å; I12-M16 HydrophobicContact CG2-SD 4.05Å; I12-M16 WeakPolarHBondContact O-CG 3.34Å; I12-M16 PolarHBondContact O-N 2.81Å
13R95.6Very high96.4Very high153 Ų153107.7 Ų107.758%0.57750%0.503SS*.Hα-helixtrans-58.1-40.9177.8-74.2176.3-178.6-93.42112.1E9 M16 V17E9-R13 WeakPolarHBondContact O-CG 3.43Å; E9-R13 PolarHBondContact O-N 3.09Å; E9-R13 IonicContact OE1-CZ 3.2Å; E9-R13 VanDerWaalsContact OE1-CZ 3.27Å; E9-R13 IonicContact OE1-NE 2.69Å; E9-R13 PolarHBondContact OE1-NE 3.3Å; E9-R13 IonicContact OE1-NH2 2.79Å; E9-R13 PolarHBondContact OE1-NH2 2.96Å; R13-M16 PolarHBondContact O-N 3.32Å; R13-V17 WeakPolarHBondContact O-CG2 3.46Å; R13-V17 PolarHBondContact O-N 3.36Å
14T96.2Very high96.5Very high98 Ų98104.1 Ų104.160%0.60149%0.488SS*.Hα-helixtrans-62.6-46.2177-54.90000111.2R10 K11 I12 M16 V17 D18R10-T14 PolarHBondContact O-N 3.39Å; R10-T14 VanDerWaalsContact O-N 3.09Å; R10-T14 PolarHBondContact O-OG1 2.88Å; K11-T14 WeakPolarHBondContact O-CB 3.36Å; K11-T14 PolarHBondContact O-N 3.37Å; I12-T14 VanDerWaalsContact C-N 3.28Å; I12-T14 PolarHBondContact O-N 2.79Å; T14-M16 PolarHBondContact O-N 2.69Å; T14-V17 PolarHBondContact O-N 3.15Å; T14-D18 PolarHBondContact O-N 3.07Å
15I97Very high96.5Very high80 Ų80106.6 Ų106.641%0.4149%0.493SS..Hα-helixtrans-60.6-44.8176.7-70.1166.8000110.9K11 I12 V17 D18 H19K11-I15 HydrophobicContact CG-CD1 4.22Å; K11-I15 WeakPolarHBondContact O-CG1 3.37Å; K11-I15 PolarHBondContact O-N 2.92Å; K11-I15 VanDerWaalsContact O-N 3.07Å; I12-I15 WeakPolarHBondContact O-CB 3.49Å; I12-I15 PolarHBondContact O-N 2.75Å; I12-I15 VanDerWaalsContact O-N 3.15Å; I15-V17 PolarHBondContact O-N 2.96Å; I15-D18 PolarHBondContact O-N 3.38Å; I15-H19 WeakPolarHBondContact CG2-CD2 3.37Å; I15-H19 PolarHBondContact O-CD2 2.92Å; I15-H19 PolarHBondContact O-N 2.94Å
16M96.8Very high96.5Very high125 Ų125110.7 Ų110.762%0.61650%0.496SS*.Hα-helixtrans-60.6-44.4178.3-71.7178.371.900112.6I12 R13 T14 H19 K20I12-M16 HydrophobicContact CG2-CG 4.3Å; I12-M16 HydrophobicContact CG2-SD 4.05Å; I12-M16 WeakPolarHBondContact O-CG 3.34Å; I12-M16 PolarHBondContact O-N 2.81Å; R13-M16 PolarHBondContact O-N 3.32Å; T14-M16 PolarHBondContact O-N 2.69Å; M16-H19 PolarHBondContact O-N 3.13Å; M16-K20 WeakPolarHBondContact O-CB 3.27Å; M16-K20 PolarHBondContact O-N 3.28Å
17V96.7Very high96.3Very high80 Ų80113.9 Ų113.949%0.48551%0.508SS..Hα-helixtrans-63.7-42.1177.5171.50000111R13 T14 I15 K20 K21R13-V17 WeakPolarHBondContact O-CG2 3.46Å; R13-V17 PolarHBondContact O-N 3.36Å; T14-V17 PolarHBondContact O-N 3.15Å; I15-V17 PolarHBondContact O-N 2.96Å; V17-K20 PolarHBondContact O-N 3.46Å; V17-K21 HydrophobicContact CG1-CD 4.35Å; V17-K21 WeakPolarHBondContact O-CG 3.38Å; V17-K21 PolarHBondContact O-N 3.06Å
18D97.3Very high96.1Very high66 Ų66112.8 Ų112.835%0.35351%0.508SS..Hα-helixtrans-66.6-40.6177.8-172.950.4000112.1T14 I15 K21 R22T14-D18 PolarHBondContact O-N 3.07Å; I15-D18 PolarHBondContact O-N 3.38Å; D18-K21 PolarHBondContact O-N 2.85Å; D18-R22 VanDerWaalsContact O-CB 3.27Å; D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 PolarHBondContact O-N 3.42Å; D18-R22 IonicContact OD1-NH1 2.75Å; D18-R22 IonicContact OD1-NH2 3.27Å; D18-R22 IonicContact OD2-CZ 3.35Å; D18-R22 IonicContact OD2-NH1 3.24Å; D18-R22 PolarHBondContact OD2-NH1 3.41Å; D18-R22 IonicContact OD2-NH2 2.65Å; D18-R22 PolarHBondContact OD2-NH2 2.89Å
19H97.1Very high95.8Very high112 Ų112114.7 Ų114.752%0.51951%0.512SS..Hα-helixtrans-62.5-41.8173-80.1-66.3000112.5I15 M16 R22 A23I15-H19 WeakPolarHBondContact CG2-CD2 3.37Å; I15-H19 PolarHBondContact O-CD2 2.92Å; I15-H19 PolarHBondContact O-N 2.94Å; M16-H19 PolarHBondContact O-N 3.13Å; H19-R22 PolarHBondContact O-N 2.94Å; H19-A23 WeakPolarHBondContact O-CB 3.48Å; H19-A23 PolarHBondContact O-N 3.04Å
20K96.4Very high95.2Very high138 Ų138118.6 Ų118.660%0.653%0.525SS*.Hα-helixtrans-60-51.8174.9-177.2178174.7-179.60111.1M16 V17 R22 A23 E24M16-K20 WeakPolarHBondContact O-CB 3.27Å; M16-K20 PolarHBondContact O-N 3.28Å; V17-K20 PolarHBondContact O-N 3.46Å; K20-R22 VanDerWaalsContact C-N 3.32Å; K20-R22 PolarHBondContact O-N 2.96Å; K20-A23 WeakPolarHBondContact O-CB 3.42Å; K20-A23 PolarHBondContact O-N 3.25Å; K20-A23 VanDerWaalsContact O-N 3.15Å; K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 WeakPolarHBondContact O-CG 3.35Å; K20-E24 PolarHBondContact O-N 3.45Å
21K96.7Very high94.7Very high122 Ų122114.9 Ų114.953%0.5352%0.515SS..Hα-helixtrans-60.4-38.8177.4-73.3-176.8177.6-1760112.5V17 D18 R25V17-K21 HydrophobicContact CG1-CD 4.35Å; V17-K21 WeakPolarHBondContact O-CG 3.38Å; V17-K21 PolarHBondContact O-N 3.06Å; D18-K21 PolarHBondContact O-N 2.85Å; K21-R25 WeakPolarHBondContact O-CG 3.38Å; K21-R25 PolarHBondContact O-N 3.32Å
22R97.3Very high93.9Very high94 Ų94116.6 Ų116.636%0.35552%0.518SS..Hα-helixtrans-67.8-39.1175.8-174.6178.1-70.292.61.6112D18 H19 K20 R26D18-R22 VanDerWaalsContact O-CB 3.27Å; D18-R22 WeakPolarHBondContact O-CB 3.36Å; D18-R22 PolarHBondContact O-N 3.42Å; D18-R22 IonicContact OD1-NH1 2.75Å; D18-R22 IonicContact OD1-NH2 3.27Å; D18-R22 IonicContact OD2-CZ 3.35Å; D18-R22 IonicContact OD2-NH1 3.24Å; D18-R22 PolarHBondContact OD2-NH1 3.41Å; D18-R22 IonicContact OD2-NH2 2.65Å; D18-R22 PolarHBondContact OD2-NH2 2.89Å; H19-R22 PolarHBondContact O-N 2.94Å; K20-R22 VanDerWaalsContact C-N 3.32Å; K20-R22 PolarHBondContact O-N 2.96Å; R22-R26 WeakPolarHBondContact O-CG 3.27Å; R22-R26 PolarHBondContact O-N 2.91Å; R22-R26 VanDerWaalsContact O-N 3.07Å
23A97Very high93.1Very high45 Ų45116.1 Ų116.137%0.37252%0.515SS..Hα-helixtrans-64.4-44.5174.700000111.4H19 K20 R26 R27H19-A23 WeakPolarHBondContact O-CB 3.48Å; H19-A23 PolarHBondContact O-N 3.04Å; K20-A23 WeakPolarHBondContact O-CB 3.42Å; K20-A23 PolarHBondContact O-N 3.25Å; K20-A23 VanDerWaalsContact O-N 3.15Å; A23-R26 PolarHBondContact O-N 3.37Å; A23-R27 WeakPolarHBondContact O-CB 3.37Å; A23-R27 PolarHBondContact O-N 3.07Å
24E96.5Very high92.2Very high87 Ų87119.4 Ų119.441%0.40753%0.528SS..Hα-helixtrans-59.7-48.6175.2-71.8167.5174.200111.5K20 R26 R27 F28K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 WeakPolarHBondContact O-CG 3.35Å; K20-E24 PolarHBondContact O-N 3.45Å; E24-R26 VanDerWaalsContact C-N 3.35Å; E24-R26 PolarHBondContact O-N 3.31Å; E24-R27 WeakPolarHBondContact O-CB 3.49Å; E24-R27 PolarHBondContact O-N 3Å; E24-F28 WeakPolarHBondContact O-CD2 3.19Å; E24-F28 PolarHBondContact O-N 2.85Å
25R96.3Very high90.7Very high156 Ų156120.2 Ų120.259%0.58952%0.523SS*.Hα-helixtrans-58-42.9176-75.3-171.9-65.2-152.5-2.5113.1K21 F28 Y29K21-R25 WeakPolarHBondContact O-CG 3.38Å; K21-R25 PolarHBondContact O-N 3.32Å; R25-F28 PolarHBondContact O-N 3.35Å; R25-Y29 WeakPolarHBondContact O-CB 3.27Å; R25-Y29 PolarHBondContact O-N 2.73Å
26R95.4Very high89.5Confident145 Ų145120.1 Ų120.155%0.54752%0.523SS..Hα-helixtrans-64.6-43.3176.6-75.4-172.9-62.4178.33.3111.5R22 A23 E24 Y29 Y30R22-R26 WeakPolarHBondContact O-CG 3.27Å; R22-R26 PolarHBondContact O-N 2.91Å; R22-R26 VanDerWaalsContact O-N 3.07Å; A23-R26 PolarHBondContact O-N 3.37Å; E24-R26 VanDerWaalsContact C-N 3.35Å; E24-R26 PolarHBondContact O-N 3.31Å; R26-Y29 PolarHBondContact O-N 2.81Å; R26-Y30 HydrophobicContact CB-CD2 4.49Å; R26-Y30 HydrophobicContact CB-CE2 4.41Å; R26-Y30 WeakPolarHBondContact O-CD2 3.45Å; R26-Y30 PolarHBondContact O-N 3.25Å
27R92.6Very high88Confident172 Ų172119.4 Ų119.465%0.64953%0.528SS*.Hα-helixtrans-58-50176.3-176.4-179.2172.2175.61.5111.1A23 E24 Y29 Y30 E31A23-R27 WeakPolarHBondContact O-CB 3.37Å; A23-R27 PolarHBondContact O-N 3.07Å; E24-R27 WeakPolarHBondContact O-CB 3.49Å; E24-R27 PolarHBondContact O-N 3Å; R27-Y29 VanDerWaalsContact C-N 3.34Å; R27-Y29 PolarHBondContact O-N 2.87Å; R27-Y30 PolarHBondContact O-N 2.93Å; R27-E31 HydrophobicContact CG-CG 4.46Å; R27-E31 WeakPolarHBondContact CG-OE1 3.43Å; R27-E31 IonicContact CZ-OE1 3.75Å; R27-E31 IonicContact NE-OE1 2.85Å; R27-E31 PolarHBondContact NE-OE1 3.02Å; R27-E31 IonicContact NH2-OE1 3.82Å; R27-E31 PolarHBondContact NH2-OE1 3.13Å; R27-E31 WeakPolarHBondContact O-CB 3.25Å; R27-E31 WeakPolarHBondContact O-CG 3.49Å; R27-E31 PolarHBondContact O-N 3.15Å
28F90.7Very high86.5Confident146 Ų146119.3 Ų119.364%0.6453%0.527SS*.Hα-helixtrans-60-40.1176.4-81.5-66.9000113.1E24 R25 R32E24-F28 WeakPolarHBondContact O-CD2 3.19Å; E24-F28 PolarHBondContact O-N 2.85Å; R25-F28 PolarHBondContact O-N 3.35Å; F28-R32 WeakPolarHBondContact O-CB 3.26Å; F28-R32 PolarHBondContact O-N 3.37Å
29Y89.5Confident85.1Confident134 Ų134122.4 Ų122.453%0.52554%0.54SS..Hα-helixtrans-61.8-48.9176.4176.7-98.6000112.1R25 R26 R27 R32 I33R25-Y29 WeakPolarHBondContact O-CB 3.27Å; R25-Y29 PolarHBondContact O-N 2.73Å; R26-Y29 PolarHBondContact O-N 2.81Å; R27-Y29 VanDerWaalsContact C-N 3.34Å; R27-Y29 PolarHBondContact O-N 2.87Å; Y29-R32 PolarHBondContact O-N 3.25Å; Y29-I33 HydrophobicContact CD1-CD1 3.86Å; Y29-I33 HydrophobicContact CD2-CD1 4.01Å; Y29-I33 HydrophobicContact CE1-CD1 3.29Å; Y29-I33 HydrophobicContact CE2-CD1 3.46Å; Y29-I33 VanDerWaalsContact CE2-CD1 3.46Å; Y29-I33 HydrophobicContact CG-CD1 4.19Å; Y29-I33 PolarHBondContact O-N 3.49Å; Y29-I33 VanDerWaalsContact O-N 3.08Å; Y29-I33 VanDerWaalsContact OH-CD1 3.27Å; Y29-I33 WeakPolarHBondContact OH-CD1 3.09Å
30Y85.2Confident83.5Confident144 Ų144121.9 Ų121.957%0.56554%0.536SS*.Hα-helixtrans-69.5-36.9178.8-71.7-61.9000112.6R26 R27 R32 I33 R34R26-Y30 HydrophobicContact CB-CD2 4.49Å; R26-Y30 HydrophobicContact CB-CE2 4.41Å; R26-Y30 WeakPolarHBondContact O-CD2 3.45Å; R26-Y30 PolarHBondContact O-N 3.25Å; R27-Y30 PolarHBondContact O-N 2.93Å; Y30-R32 PolarHBondContact O-N 2.92Å; Y30-I33 PolarHBondContact O-N 2.97Å; Y30-R34 VanDerWaalsContact O-CB 3.25Å; Y30-R34 WeakPolarHBondContact O-CB 3.42Å; Y30-R34 VanDerWaalsContact O-CG 3.23Å; Y30-R34 WeakPolarHBondContact O-CG 3.43Å; Y30-R34 PolarHBondContact O-N 3.4Å
31E85.4Confident82.3Confident89 Ų89122.2 Ų122.242%0.41654%0.542SS..Hα-helixtrans-61.3-33.2172.4-78.5174.5-17700111.8R27R27-E31 HydrophobicContact CG-CG 4.46Å; R27-E31 WeakPolarHBondContact CG-OE1 3.43Å; R27-E31 IonicContact CZ-OE1 3.75Å; R27-E31 IonicContact NE-OE1 2.85Å; R27-E31 PolarHBondContact NE-OE1 3.02Å; R27-E31 IonicContact NH2-OE1 3.82Å; R27-E31 PolarHBondContact NH2-OE1 3.13Å; R27-E31 WeakPolarHBondContact O-CB 3.25Å; R27-E31 WeakPolarHBondContact O-CG 3.49Å; R27-E31 PolarHBondContact O-N 3.15Å
32R80.4Confident81.4Confident169 Ų169123 Ų12364%0.63855%0.547SS*.Hα-helixtrans-72-40.8175.8-160.4170.279.9160.86.2112.6F28 Y29 Y30 F40F28-R32 WeakPolarHBondContact O-CB 3.26Å; F28-R32 PolarHBondContact O-N 3.37Å; Y29-R32 PolarHBondContact O-N 3.25Å; Y30-R32 PolarHBondContact O-N 2.92Å; R32-F40 WeakPolarHBondContact O-CE2 3.46Å; R32-F40 WeakPolarHBondContact O-CZ 3.11Å
33I79.3Confident80.4Confident84 Ų84124.8 Ų124.843%0.43157%0.568SS.*Hα-helixtrans-83.7-23.8-177.3-65.7170.9000112.8Y29 Y30 K35Y29-I33 HydrophobicContact CD1-CD1 3.86Å; Y29-I33 HydrophobicContact CD2-CD1 4.01Å; Y29-I33 HydrophobicContact CE1-CD1 3.29Å; Y29-I33 HydrophobicContact CE2-CD1 3.46Å; Y29-I33 VanDerWaalsContact CE2-CD1 3.46Å; Y29-I33 HydrophobicContact CG-CD1 4.19Å; Y29-I33 PolarHBondContact O-N 3.49Å; Y29-I33 VanDerWaalsContact O-N 3.08Å; Y29-I33 VanDerWaalsContact OH-CD1 3.27Å; Y29-I33 WeakPolarHBondContact OH-CD1 3.09Å; Y30-I33 PolarHBondContact O-N 2.97Å; I33-K35 PolarHBondContact O-N 3.28Å
34R75.8Confident79.7Confident222 Ų222130 Ų13084%0.83859%0.585SS**THydrogen-bonded Turntrans-66.9-10.2174.1-81.6-175.178.1122.64.2113.5Y30Y30-R34 VanDerWaalsContact O-CB 3.25Å; Y30-R34 WeakPolarHBondContact O-CB 3.42Å; Y30-R34 VanDerWaalsContact O-CG 3.23Å; Y30-R34 WeakPolarHBondContact O-CG 3.43Å; Y30-R34 PolarHBondContact O-N 3.4Å
35K65.9Low78.9Confident115 Ų115129.6 Ų129.650%0.560%0.604SS.*SBendtrans-64.7147168.4-61.8-170.5179.5-167.50109.1I33 F40I33-K35 PolarHBondContact O-N 3.28Å; K35-F40 HydrophobicContact CB-CE2 3.88Å; K35-F40 HydrophobicContact CB-CZ 4.23Å
36D71Confident78Confident78 Ų78130.2 Ų130.242%0.41761%0.613SS.*  trans-44.5126-173.4-174-21.5000110.3T38 E39D36-T38 PolarHBondContact O-N 3Å; D36-T38 VanDerWaalsContact OD1-CB 3.25Å; D36-T38 WeakPolarHBondContact OD1-CB 3.46Å; D36-T38 PolarHBondContact OD1-N 3.04Å; D36-T38 PolarHBondContact OD1-OG1 3.49Å; D36-E39 HydrophobicContact CB-CG 4.31Å; D36-E39 WeakPolarHBondContact O-CB 3.48Å; D36-E39 PolarHBondContact O-N 2.94Å
37P65Low76.8Confident109 Ų109128.3 Ų128.371%0.70863%0.629SS**G310 helixtrans-48.2-28.5175.8-27.933.9000113.4E39 F40P37-E39 PolarHBondContact O-N 2.87Å; P37-F40 PolarHBondContact O-N 3.32Å
38T66.6Low75.3Confident78 Ų78124.4 Ų124.448%0.47963%0.628SS.*G310 helixtrans-66.7-30.6177.6-40.60000112.9D36 F40 M41D36-T38 PolarHBondContact O-N 3Å; D36-T38 VanDerWaalsContact OD1-CB 3.25Å; D36-T38 WeakPolarHBondContact OD1-CB 3.46Å; D36-T38 PolarHBondContact OD1-N 3.04Å; D36-T38 PolarHBondContact OD1-OG1 3.49Å; T38-F40 PolarHBondContact O-N 3.19Å; T38-M41 PolarHBondContact O-N 2.92Å
39E67.6Low74Confident131 Ų131121.7 Ų121.761%0.61263%0.633SS**G310 helixtrans-66.6-24.1177.5-73.8-170.1174.700112.9D36 P37D36-E39 HydrophobicContact CB-CG 4.31Å; D36-E39 WeakPolarHBondContact O-CB 3.48Å; D36-E39 PolarHBondContact O-N 2.94Å; P37-E39 PolarHBondContact O-N 2.87Å
40F63.6Low72.6Confident102 Ų102123.1 Ų123.145%0.44764%0.642SS.*G310 helixtrans-99.2-7-178.9-62.7-74.1000113.9R32 K35 P37 T38 Q42R32-F40 WeakPolarHBondContact O-CE2 3.46Å; R32-F40 WeakPolarHBondContact O-CZ 3.11Å; K35-F40 HydrophobicContact CB-CE2 3.88Å; K35-F40 HydrophobicContact CB-CZ 4.23Å; P37-F40 PolarHBondContact O-N 3.32Å; T38-F40 PolarHBondContact O-N 3.19Å; F40-Q42 PolarHBondContact O-N 2.82Å
41M71.2Confident71.2Confident144 Ų144123.9 Ų123.971%0.70966%0.655SS**  trans-70.896.1-178-169174.468.800109.8T38T38-M41 PolarHBondContact O-N 2.92Å
42Q76.9Confident69.9Low138 Ų138120.9 Ų120.965%0.64564%0.644SS**  trans-100.2117.4174.6-63.5-179.414.700108.6F40 H44F40-Q42 PolarHBondContact O-N 2.82Å; Q42-H44 PolarHBondContact OE1-NE2 2.99Å
43V76.3Confident68.8Low132 Ų132120.6 Ų120.680%0.865%0.654SS**  trans-88113.1170.5179.80000107.5
44H81.6Confident67.7Low155 Ų155120.3 Ų120.372%0.71865%0.653SS**  trans-101.8130.5170.1-58.6-72.5000108.9Q42Q42-H44 PolarHBondContact OE1-NE2 2.99Å
45G80.5Confident67Low79 Ų79119 Ų11981%0.81466%0.656SS**  trans-137.1136.1173.500000109.8
46Q78.1Confident67.3Low168 Ų168117.2 Ų117.279%0.78565%0.652SS**  trans-104.8133.4163.3-177.6175.2-40.100107.3S48Q46-S48 VanDerWaalsContact C-N 3.31Å; Q46-S48 PolarHBondContact O-N 3.08Å
47A69.9Low67.1Low105 Ų105119.3 Ų119.387%0.86866%0.662SS**  trans-61.299.1168.100000108.1
48S61.7Low67.5Low90 Ų90123.7 Ų123.763%0.62966%0.664SS**  trans-106.3117.6171.2-59.40000106.2Q46 F50Q46-S48 VanDerWaalsContact C-N 3.31Å; Q46-S48 PolarHBondContact O-N 3.08Å; S48-F50 PolarHBondContact O-N 3.18Å
49A63.3Low67.7Low90 Ų90122.8 Ų122.874%0.74466%0.658SS**  trans-57124157.900000105.5L51A49-L51 PolarHBondContact O-N 3.49Å
50F60.4Low67.6Low163 Ų163118.7 Ų118.772%0.71564%0.641SS**  trans-60.295.3173.1-173.7-95.5000106.5S48 S52S48-F50 PolarHBondContact O-N 3.18Å; F50-S52 PolarHBondContact O-N 2.98Å
51L54.3Low68.1Low161 Ų161119.2 Ų119.284%0.84365%0.647SS**  trans-74.280.5173.2-145.9103000104.5A49 L53A49-L51 PolarHBondContact O-N 3.49Å; L51-L53 PolarHBondContact O-N 3.25Å
52S58.1Low68.5Low25 Ų25115.1 Ų115.118%0.17563%0.633CS.*  trans-50.8111.6177.5170.80000107.4F50 L54F50-S52 PolarHBondContact O-N 2.98Å; S52-L54 PolarHBondContact O-N 2.94Å; S52-L54 WeakPolarHBondContact OG-CB 3.43Å; S52-L54 PolarHBondContact OG-N 3.5Å; S52-L54 PolarHBondContact OG-O 3.38Å
53L57.4Low68.7Low164 Ų164109.9 Ų109.986%0.85961%0.609SS**SBendtrans-59.3-8.3173-124.3103.7000112.2L51 H55L51-L53 PolarHBondContact O-N 3.25Å; L53-H55 PolarHBondContact O-N 2.63Å
54L57.3Low69.1Low78 Ų78109.2 Ų109.241%0.40859%0.592SS.*  trans-83.495.7173.3-51.3169000107.8S52 D56 V59 L63S52-L54 PolarHBondContact O-N 2.94Å; S52-L54 WeakPolarHBondContact OG-CB 3.43Å; S52-L54 PolarHBondContact OG-N 3.5Å; S52-L54 PolarHBondContact OG-O 3.38Å; L54-D56 PolarHBondContact O-N 3.44Å; L54-V59 HydrophobicContact CD1-CB 4.33Å; L54-V59 HydrophobicContact CD1-CG1 3.79Å; L54-V59 HydrophobicContact CD2-CG1 4.44Å; L54-L63 HydrophobicContact CD1-CD1 3.36Å
55H60.4Low69.4Low193 Ų193103.2 Ų103.289%0.89457%0.568SS**  trans-60.2-6169.5-81.376.4000113L53L53-H55 PolarHBondContact O-N 2.63Å
56D71.8Confident69.8Low79 Ų79103.3 Ų103.342%0.42255%0.554SS.*  trans-101.5105.7174.1-167.7-6.8000111.6L54 R58 V59 L60L54-D56 PolarHBondContact O-N 3.44Å; D56-R58 PolarHBondContact O-N 2.92Å; D56-R58 VanDerWaalsContact O-N 3.13Å; D56-R58 VanDerWaalsContact OD1-CB 3.27Å; D56-R58 WeakPolarHBondContact OD1-CB 3.4Å; D56-R58 PolarHBondContact OD1-N 3.27Å; D56-V59 HydrophobicContact CB-CB 4.47Å; D56-V59 HydrophobicContact CB-CG2 3.9Å; D56-V59 PolarHBondContact O-N 2.75Å; D56-L60 PolarHBondContact O-N 3.41Å
57I68.1Low70.2Confident122 Ų122100 Ų10063%0.62653%0.534SS*.Hα-helixtrans-53.3-30.5174.1-67.2168.7000111.3V59 L60 L61I57-V59 VanDerWaalsContact C-N 3.35Å; I57-V59 PolarHBondContact O-N 2.97Å; I57-L60 PolarHBondContact O-N 3.24Å; I57-L61 HydrophobicContact CG2-CD1 3.87Å; I57-L61 HydrophobicContact CG2-CG 4.1Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.41Å
58R71.6Confident70.8Confident201 Ų20198.3 Ų98.376%0.75851%0.508SS*.Hα-helixtrans-66.2-38178.5-64.1177.9174.4-90.3-0.3111.9D56 L60 S62D56-R58 PolarHBondContact O-N 2.92Å; D56-R58 VanDerWaalsContact O-N 3.13Å; D56-R58 VanDerWaalsContact OD1-CB 3.27Å; D56-R58 WeakPolarHBondContact OD1-CB 3.4Å; D56-R58 PolarHBondContact OD1-N 3.27Å; R58-L60 VanDerWaalsContact C-N 3.33Å; R58-S62 WeakPolarHBondContact O-CA 3.19Å; R58-S62 PolarHBondContact O-N 3.36Å
59V71.3Confident71.8Confident58 Ų5896.6 Ų96.635%0.35251%0.505SS..Hα-helixtrans-71.8-31.8176.1-171.60000110.6L54 D56 I57 S62 L63L54-V59 HydrophobicContact CD1-CB 4.33Å; L54-V59 HydrophobicContact CD1-CG1 3.79Å; L54-V59 HydrophobicContact CD2-CG1 4.44Å; D56-V59 HydrophobicContact CB-CB 4.47Å; D56-V59 HydrophobicContact CB-CG2 3.9Å; D56-V59 PolarHBondContact O-N 2.75Å; I57-V59 VanDerWaalsContact C-N 3.35Å; I57-V59 PolarHBondContact O-N 2.97Å; V59-S62 VanDerWaalsContact O-CA 3.25Å; V59-S62 WeakPolarHBondContact O-CA 3.48Å; V59-L63 HydrophobicContact CG1-CD1 4.29Å; V59-L63 WeakPolarHBondContact O-CD1 3.25Å; V59-L63 VanDerWaalsContact O-CG 3.26Å; V59-L63 WeakPolarHBondContact O-CG 3.23Å; V59-L63 PolarHBondContact O-N 3.24Å
60L66.4Low72.7Confident46 Ų4695 Ų9524%0.24148%0.484CS..Hα-helixtrans-70.7-44.8174.2-177.665.3000112.6D56 I57 R58 L63 R64D56-L60 PolarHBondContact O-N 3.41Å; I57-L60 PolarHBondContact O-N 3.24Å; R58-L60 VanDerWaalsContact C-N 3.33Å; L60-L63 PolarHBondContact O-N 3.39Å; L60-R64 WeakPolarHBondContact O-CG 3.46Å; L60-R64 PolarHBondContact O-N 2.82Å
61L74.1Confident74Confident112 Ų11291.9 Ų91.959%0.58648%0.48SS*.Hα-helixtrans-66.4-46.4177.8-71.4174.6000111.4I57 L63 R64I57-L61 HydrophobicContact CG2-CD1 3.87Å; I57-L61 HydrophobicContact CG2-CG 4.1Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.41Å; L61-L63 PolarHBondContact O-N 3.37Å; L61-R64 PolarHBondContact O-N 2.83Å
62S79.2Confident75.5Confident58 Ų5889.6 Ų89.641%0.40647%0.473SS..Hα-helixtrans2.3-93.5131.2146.70000116.2R58 V59 R64 R77R58-S62 WeakPolarHBondContact O-CA 3.19Å; R58-S62 PolarHBondContact O-N 3.36Å; V59-S62 VanDerWaalsContact O-CA 3.25Å; V59-S62 WeakPolarHBondContact O-CA 3.48Å; S62-R64 PolarHBondContact O-N 3.3Å; S62-R77 PolarHBondContact O-NE 2.89Å; S62-R77 PolarHBondContact O-NH1 3.38Å; S62-R77 PolarHBondContact O-NH2 3.3Å; S62-R77 PolarHBondContact OG-NH1 2.86Å; S62-R77 PolarHBondContact OG-NH2 2.95Å
63L81.3Confident77Confident29 Ų2991.5 Ų91.515%0.15248%0.483CS..THydrogen-bonded Turntrans-64.75.9-171.3-69.7163.3000116L54 V59 L60 L61 D76 R77 F78L54-L63 HydrophobicContact CD1-CD1 3.36Å; V59-L63 HydrophobicContact CG1-CD1 4.29Å; V59-L63 WeakPolarHBondContact O-CD1 3.25Å; V59-L63 VanDerWaalsContact O-CG 3.26Å; V59-L63 WeakPolarHBondContact O-CG 3.23Å; V59-L63 PolarHBondContact O-N 3.24Å; L60-L63 PolarHBondContact O-N 3.39Å; L61-L63 PolarHBondContact O-N 3.37Å; L63-D76 CarbonylContact O-C 3.52Å; L63-D76 WeakPolarHBondContact O-CA 3.42Å; L63-R77 VanDerWaalsContact CA-CZ 3.41Å; L63-R77 VanDerWaalsContact CA-NH2 3.31Å; L63-R77 VanDerWaalsContact N-NH2 3.17Å; L63-R77 WeakPolarHBondContact O-CG 3.25Å; L63-R77 PolarHBondContact O-N 3.19Å; L63-F78 HydrophobicContact CD2-CD2 4.05Å; L63-F78 HydrophobicContact CD2-CE2 3.49Å; L63-F78 VanDerWaalsContact CD2-CE2 3.49Å; L63-F78 HydrophobicContact CD2-CZ 4.37Å
64R85.4Confident78.4Confident117 Ų11787.9 Ų87.944%0.44246%0.464SS..EExtended strand (participates in β ladder)trans-108.3138.3-179.4-63.7175.792132.66.2111L60 L61 S62 L74 I75L60-R64 WeakPolarHBondContact O-CG 3.46Å; L60-R64 PolarHBondContact O-N 2.82Å; L61-R64 PolarHBondContact O-N 2.83Å; S62-R64 PolarHBondContact O-N 3.3Å; R64-L74 HydrophobicContact CB-CB 4.35Å; R64-I75 CarbonylContact C-O 3.55Å; R64-I75 VanDerWaalsContact CA-O 3.25Å; R64-I75 WeakPolarHBondContact CA-O 3.25Å
65C86.4Confident79.9Confident30 Ų3084.6 Ų84.620%0.20345%0.447CS..EExtended strand (participates in β ladder)trans-126.715217159.90000110.7L74 I75 R77C65-L74 WeakPolarHBondContact O-CA 3.45Å; C65-I75 PolarHBondContact N-O 2.87Å; C65-I75 PolarHBondContact O-N 2.77Å; C65-R77 HydrophobicContact CB-CG 4.26Å
66P88.6Confident81.1Confident80 Ų8078.3 Ų78.352%0.51942%0.42SS..EExtended strand (participates in β ladder)trans-64.5134.917127-33000109.8P71 L74P66-P71 HydrophobicContact CB-CB 4.28Å; P66-L74 HydrophobicContact CB-CD2 4.49Å
67W87.4Confident81.8Confident100 Ų10079.1 Ų79.138%0.37942%0.417SS..  trans-69.8142.1173.517852.8000110.4G69 D70 V73 I75W67-G69 VanDerWaalsContact C-N 3.28Å; W67-G69 PolarHBondContact O-N 2.9Å; W67-D70 HydrophobicContact CE3-CB 3.69Å; W67-D70 HydrophobicContact CZ3-CB 3.85Å; W67-D70 CarbonylContact O-C 3.18Å; W67-D70 PolarHBondContact O-N 2.9Å; W67-D70 VanDerWaalsContact O-O 3.09Å; W67-V73 HydrophobicContact CB-CB 4.41Å; W67-V73 WeakPolarHBondContact CB-O 3.35Å; W67-V73 PolarHBondContact N-O 2.89Å; W67-I75 HydrophobicContact CB-CD1 4.19Å; W67-I75 HydrophobicContact CB-CG1 4.25Å; W67-I75 HydrophobicContact CB-CG2 4.05Å; W67-I75 HydrophobicContact CG-CD1 4.42Å
68Q83.3Confident82.5Confident68 Ų6880.2 Ų80.232%0.31842%0.418SS..SBendtrans-64.5-31.5-175.8-65.8-174.7-1.400114L84 K86Q68-L84 PolarHBondContact NE2-O 3.3Å; Q68-L84 PolarHBondContact OE1-O 3.31Å; Q68-K86 HydrophobicContact CB-CG 3.95Å; Q68-K86 HydrophobicContact CG-CG 4.42Å; Q68-K86 VanDerWaalsContact O-CE 3.27Å; Q68-K86 WeakPolarHBondContact O-CE 3.25Å
69G81.7Confident83.3Confident55 Ų5572.6 Ų72.657%0.56739%0.392SS*.SBendtrans-78.9-27.7179.200000113.5W67W67-G69 VanDerWaalsContact C-N 3.28Å; W67-G69 PolarHBondContact O-N 2.9Å
70D82.9Confident84Confident57 Ų5773.6 Ų73.631%0.30541%0.406SS..  trans-152.3111.2176.5-175.5-10.2000110W67 T72 V73W67-D70 HydrophobicContact CE3-CB 3.69Å; W67-D70 HydrophobicContact CZ3-CB 3.85Å; W67-D70 CarbonylContact O-C 3.18Å; W67-D70 PolarHBondContact O-N 2.9Å; W67-D70 VanDerWaalsContact O-O 3.09Å; D70-T72 PolarHBondContact O-N 2.65Å; D70-T72 WeakPolarHBondContact OD1-CB 3.23Å; D70-T72 WeakPolarHBondContact OD1-CG2 3.1Å; D70-T72 PolarHBondContact OD1-N 3.24Å; D70-T72 PolarHBondContact OD1-OG1 2.85Å; D70-T72 PolarHBondContact OD2-OG1 2.9Å; D70-V73 HydrophobicContact CB-CB 4.48Å; D70-V73 HydrophobicContact CB-CG2 4.08Å; D70-V73 PolarHBondContact O-N 3Å; D70-V73 VanDerWaalsContact O-N 3.1Å
71P86.2Confident84.9Confident96 Ų9677.1 Ų77.162%0.62342%0.417SS*.THydrogen-bonded Turntrans-69-13.1-178.629.6-35.2000113.6P66 V73P66-P71 HydrophobicContact CB-CB 4.28Å; P71-V73 VanDerWaalsContact C-N 3.26Å
72T87.6Confident85.4Confident114 Ų11473.2 Ų73.270%0.69940%0.398SS*.THydrogen-bonded Turntrans-76.1-18.6174.372.20000112.2D70D70-T72 PolarHBondContact O-N 2.65Å; D70-T72 WeakPolarHBondContact OD1-CB 3.23Å; D70-T72 WeakPolarHBondContact OD1-CG2 3.1Å; D70-T72 PolarHBondContact OD1-N 3.24Å; D70-T72 PolarHBondContact OD1-OG1 2.85Å; D70-T72 PolarHBondContact OD2-OG1 2.9Å
73V87.6Confident85.7Confident64 Ų6478.3 Ų78.339%0.38841%0.41SS..SBendtrans-94.7114.1177.8-178.70000109.6W67 D70 P71 I75W67-V73 HydrophobicContact CB-CB 4.41Å; W67-V73 WeakPolarHBondContact CB-O 3.35Å; W67-V73 PolarHBondContact N-O 2.89Å; D70-V73 HydrophobicContact CB-CB 4.48Å; D70-V73 HydrophobicContact CB-CG2 4.08Å; D70-V73 PolarHBondContact O-N 3Å; D70-V73 VanDerWaalsContact O-N 3.1Å; P71-V73 VanDerWaalsContact C-N 3.26Å; V73-I75 HydrophobicContact CG1-CG2 4.35Å
74L87.6Confident85.9Confident88 Ų8881.8 Ų81.846%0.46143%0.428SS..EExtended strand (participates in β ladder)trans-91.2119.4175.3-65.8177.4000111.1R64 C65 P66R64-L74 HydrophobicContact CB-CB 4.35Å; C65-L74 WeakPolarHBondContact O-CA 3.45Å; P66-L74 HydrophobicContact CB-CD2 4.49Å
75I88.8Confident85.7Confident9 Ų983 Ų835%0.04644%0.444CS..EExtended strand (participates in β ladder)trans-105.6164175.759.7169.5000111.1R64 C65 W67 V73 D79 R81R64-I75 CarbonylContact C-O 3.55Å; R64-I75 VanDerWaalsContact CA-O 3.25Å; R64-I75 WeakPolarHBondContact CA-O 3.25Å; C65-I75 PolarHBondContact N-O 2.87Å; C65-I75 PolarHBondContact O-N 2.77Å; W67-I75 HydrophobicContact CB-CD1 4.19Å; W67-I75 HydrophobicContact CB-CG1 4.25Å; W67-I75 HydrophobicContact CB-CG2 4.05Å; W67-I75 HydrophobicContact CG-CD1 4.42Å; V73-I75 HydrophobicContact CG1-CG2 4.35Å; I75-D79 HydrophobicContact CB-CB 4.46Å; I75-D79 HydrophobicContact CD1-CB 4.49Å; I75-R81 HydrophobicContact CD1-CB 4.11Å
76D86.9Confident85.2Confident62 Ų6289.1 Ų89.133%0.33247%0.467SS..EExtended strand (participates in β ladder)trans-66.5140.5171.7-170.1-25.3000109.9L63 F78 D79L63-D76 CarbonylContact O-C 3.52Å; L63-D76 WeakPolarHBondContact O-CA 3.42Å; D76-F78 PolarHBondContact O-N 2.73Å; D76-F78 PolarHBondContact OD1-N 3.5Å; D76-D79 HydrophobicContact CB-CB 4.14Å; D76-D79 WeakPolarHBondContact O-CB 3.47Å; D76-D79 PolarHBondContact O-N 2.95Å
77R84.9Confident84.5Confident96 Ų9692.8 Ų92.836%0.36248%0.481SS..THydrogen-bonded Turntrans-56.3-33.9173-77.8-167.9-60.6-136.5-6111.8S62 L63 C65 S82S62-R77 PolarHBondContact O-NE 2.89Å; S62-R77 PolarHBondContact O-NH1 3.38Å; S62-R77 PolarHBondContact O-NH2 3.3Å; S62-R77 PolarHBondContact OG-NH1 2.86Å; S62-R77 PolarHBondContact OG-NH2 2.95Å; L63-R77 VanDerWaalsContact CA-CZ 3.41Å; L63-R77 VanDerWaalsContact CA-NH2 3.31Å; L63-R77 VanDerWaalsContact N-NH2 3.17Å; L63-R77 WeakPolarHBondContact O-CG 3.25Å; L63-R77 PolarHBondContact O-N 3.19Å; C65-R77 HydrophobicContact CB-CG 4.26Å; R77-S82 PolarHBondContact O-OG 3.1Å
78F82.6Confident84Confident145 Ų14593.4 Ų93.464%0.63650%0.498SS*.THydrogen-bonded Turntrans-89.20.4177.5-59.9-65.6000113.9L63 D76 A80L63-F78 HydrophobicContact CD2-CD2 4.05Å; L63-F78 HydrophobicContact CD2-CE2 3.49Å; L63-F78 VanDerWaalsContact CD2-CE2 3.49Å; L63-F78 HydrophobicContact CD2-CZ 4.37Å; D76-F78 PolarHBondContact O-N 2.73Å; D76-F78 PolarHBondContact OD1-N 3.5Å; F78-A80 PolarHBondContact O-N 2.92Å
79D88.3Confident83.5Confident41 Ų4195.8 Ų95.822%0.21951%0.513CS..SBendtrans-62.1132171.7-166.1-62000109.6I75 D76 R81 S82I75-D79 HydrophobicContact CB-CB 4.46Å; I75-D79 HydrophobicContact CD1-CB 4.49Å; D76-D79 HydrophobicContact CB-CB 4.14Å; D76-D79 WeakPolarHBondContact O-CB 3.47Å; D76-D79 PolarHBondContact O-N 2.95Å; D79-R81 PolarHBondContact O-N 2.87Å; D79-R81 VanDerWaalsContact OD1-CB 3.23Å; D79-R81 WeakPolarHBondContact OD1-CB 3.42Å; D79-R81 VanDerWaalsContact OD1-CG 3.25Å; D79-R81 WeakPolarHBondContact OD1-CG 3.32Å; D79-R81 IonicContact OD1-CZ 3.4Å; D79-R81 PolarHBondContact OD1-N 3.35Å; D79-R81 IonicContact OD1-NE 3.22Å; D79-R81 PolarHBondContact OD1-NE 3.39Å; D79-R81 IonicContact OD1-NH2 2.73Å; D79-R81 IonicContact OD2-CZ 3.51Å; D79-R81 IonicContact OD2-NE 3.05Å; D79-R81 PolarHBondContact OD2-NE 3.44Å; D79-R81 IonicContact OD2-NH2 3.68Å; D79-R81 PolarHBondContact OD2-NH2 2.81Å; D79-S82 WeakPolarHBondContact O-CB 3.27Å; D79-S82 PolarHBondContact O-N 3.37Å; D79-S82 PolarHBondContact O-OG 3Å
80A85.9Confident82.7Confident79 Ų7999.7 Ų99.765%0.65352%0.521SS*.G310 helixtrans-53.7-26.7179.500000113F78 S82 Y83F78-A80 PolarHBondContact O-N 2.92Å; A80-S82 VanDerWaalsContact C-N 3.3Å; A80-S82 PolarHBondContact O-N 3.39Å; A80-Y83 PolarHBondContact O-N 2.69Å
81R86.3Confident81.6Confident120 Ų120105.7 Ų105.745%0.45354%0.539SS..G310 helixtrans-69.4-22.6177.4-62172.7-70.3176.20.1113.7I75 D79 Y83 L84I75-R81 HydrophobicContact CD1-CB 4.11Å; D79-R81 PolarHBondContact O-N 2.87Å; D79-R81 VanDerWaalsContact OD1-CB 3.23Å; D79-R81 WeakPolarHBondContact OD1-CB 3.42Å; D79-R81 VanDerWaalsContact OD1-CG 3.25Å; D79-R81 WeakPolarHBondContact OD1-CG 3.32Å; D79-R81 IonicContact OD1-CZ 3.4Å; D79-R81 PolarHBondContact OD1-N 3.35Å; D79-R81 IonicContact OD1-NE 3.22Å; D79-R81 PolarHBondContact OD1-NE 3.39Å; D79-R81 IonicContact OD1-NH2 2.73Å; D79-R81 IonicContact OD2-CZ 3.51Å; D79-R81 IonicContact OD2-NE 3.05Å; D79-R81 PolarHBondContact OD2-NE 3.44Å; D79-R81 IonicContact OD2-NH2 3.68Å; D79-R81 PolarHBondContact OD2-NH2 2.81Å; R81-Y83 PolarHBondContact O-N 2.87Å; R81-L84 HydrophobicContact CB-CD1 4.3Å; R81-L84 HydrophobicContact CG-CD1 4.27Å; R81-L84 PolarHBondContact O-N 3.2Å
82S85.4Confident80.2Confident29 Ų29104.5 Ų104.520%0.20353%0.533CS..G310 helixtrans-65.8-25.1177.4760000112.1R77 D79 A80R77-S82 PolarHBondContact O-OG 3.1Å; D79-S82 WeakPolarHBondContact O-CB 3.27Å; D79-S82 PolarHBondContact O-N 3.37Å; D79-S82 PolarHBondContact O-OG 3Å; A80-S82 VanDerWaalsContact C-N 3.3Å; A80-S82 PolarHBondContact O-N 3.39Å
83Y84.9Confident78.8Confident165 Ų165108.6 Ų108.665%0.64754%0.541SS*.G310 helixtrans-94.5-6.4-179.7-62.3-77.1000114.6A80 R81A80-Y83 PolarHBondContact O-N 2.69Å; R81-Y83 PolarHBondContact O-N 2.87Å
84L85.1Confident77.4Confident103 Ų103109.6 Ų109.654%0.53955%0.551SS.*  trans-68139.7176.2-65175.9000109Q68 R81Q68-L84 PolarHBondContact NE2-O 3.3Å; Q68-L84 PolarHBondContact OE1-O 3.31Å; R81-L84 HydrophobicContact CB-CD1 4.3Å; R81-L84 HydrophobicContact CG-CD1 4.27Å; R81-L84 PolarHBondContact O-N 3.2Å
85D81.2Confident76.4Confident143 Ų143109 Ų10977%0.76555%0.554SS**  trans-79.2150.8169.7-73.3-36.7000110.5L87D85-L87 PolarHBondContact O-N 2.79Å
86K76.3Confident76.1Confident158 Ų158110.3 Ų110.369%0.68757%0.569SS**  trans-61.5113.2171.6-73.8-171.1178-171.40108.7Q68Q68-K86 HydrophobicContact CB-CG 3.95Å; Q68-K86 HydrophobicContact CG-CG 4.42Å; Q68-K86 VanDerWaalsContact O-CE 3.27Å; Q68-K86 WeakPolarHBondContact O-CE 3.25Å
87L74.2Confident75.9Confident157 Ų157113.1 Ų113.182%0.82258%0.584SS**  trans-62133.1169-68.2174.1000108.3D85 D89D85-L87 PolarHBondContact O-N 2.79Å; L87-D89 PolarHBondContact O-N 2.68Å
88P76.1Confident75.8Confident112 Ų112114.9 Ų114.973%0.72760%0.596SS**  trans-59.3140.1172.924.9-32000108.8N90P88-N90 VanDerWaalsContact C-N 3.28Å; P88-N90 PolarHBondContact O-N 3.14Å
89D73.2Confident75.8Confident119 Ų119111.2 Ų111.264%0.63658%0.581SS**  trans-57.296.3167.3-88.3-2000107.5L87 R91L87-D89 PolarHBondContact O-N 2.68Å; D89-R91 HydrophobicContact CB-CG 4.06Å; D89-R91 PolarHBondContact O-N 3.34Å; D89-R91 IonicContact OD2-CZ 2.8Å; D89-R91 IonicContact OD2-NE 3.97Å; D89-R91 PolarHBondContact OD2-NE 3.25Å; D89-R91 IonicContact OD2-NH2 3.14Å; D89-R91 PolarHBondContact OD2-NH2 3.14Å
90N65.5Low75.7Confident136 Ų136112.9 Ų112.973%0.72758%0.584SS**  trans-74.478.8177.2-167.56.7000108.6P88 S92P88-N90 VanDerWaalsContact C-N 3.28Å; P88-N90 PolarHBondContact O-N 3.14Å; N90-S92 PolarHBondContact O-N 3.46Å; N90-S92 WeakPolarHBondContact OD1-CB 3.21Å; N90-S92 PolarHBondContact OD1-N 3.4Å; N90-S92 PolarHBondContact OD1-OG 2.73Å
91R59.2Low75.7Confident184 Ų184114.2 Ų114.269%0.69458%0.575SS**  trans-87.825.3174-55.3-178.8-166.9-1713.3111D89 K93D89-R91 HydrophobicContact CB-CG 4.06Å; D89-R91 PolarHBondContact O-N 3.34Å; D89-R91 IonicContact OD2-CZ 2.8Å; D89-R91 IonicContact OD2-NE 3.97Å; D89-R91 PolarHBondContact OD2-NE 3.25Å; D89-R91 IonicContact OD2-NH2 3.14Å; D89-R91 PolarHBondContact OD2-NH2 3.14Å; R91-K93 PolarHBondContact O-N 3.15Å
92S56Low75.7Confident71 Ų71113.7 Ų113.750%0.49758%0.58SS.*  trans-67.485.9171.169.70000108.6N90 S94N90-S92 PolarHBondContact O-N 3.46Å; N90-S92 WeakPolarHBondContact OD1-CB 3.21Å; N90-S92 PolarHBondContact OD1-N 3.4Å; N90-S92 PolarHBondContact OD1-OG 2.73Å; S92-S94 PolarHBondContact O-N 3.44Å
93K59.1Low75.8Confident199 Ų199113.3 Ų113.387%0.86558%0.575SS**  trans-71.580.5173.7-65.7-171.5-177.8-176.60108.5R91R91-K93 PolarHBondContact O-N 3.15Å
94S58.9Low76Confident86 Ų86107.7 Ų107.760%0.60155%0.553SS**  trans-139.595.4159.250.50000107.4S92 G96S92-S94 PolarHBondContact O-N 3.44Å; S94-G96 PolarHBondContact O-N 3.03Å
95S66.6Low76.1Confident76 Ų76108.1 Ų108.153%0.53155%0.552SS.*  trans-64.964.1172.469.10000110.3E99S95-E99 VanDerWaalsContact CA-OE2 3.24Å; S95-E99 WeakPolarHBondContact CA-OE2 3.25Å; S95-E99 PolarHBondContact N-OE2 3.25Å
96G80.7Confident76.4Confident35 Ų35107.8 Ų107.836%0.36154%0.54SS..  trans-63.4163.2172.200000109.3S94 E98 E99 R100S94-G96 PolarHBondContact O-N 3.03Å; G96-E98 PolarHBondContact O-N 3.17Å; G96-E98 VanDerWaalsContact O-N 3.14Å; G96-E99 PolarHBondContact O-N 3.29Å; G96-R100 PolarHBondContact O-N 3.08Å; G96-R100 VanDerWaalsContact O-N 3.07Å
97L83.1Confident77Confident121 Ų121103.3 Ų103.363%0.63452%0.519SS*.Hα-helixtrans-52.8-36.2176.2-179.761.9000111.7R100 K101L97-R100 WeakPolarHBondContact O-CB 3.18Å; L97-R100 PolarHBondContact O-N 3.46Å; L97-K101 WeakPolarHBondContact O-CG 2.92Å; L97-K101 PolarHBondContact O-N 2.99Å
98E84.3Confident77.6Confident134 Ų13499.6 Ų99.663%0.62649%0.494SS*.Hα-helixtrans-70.5-41.5-178.9-156.458.1-154.300113G96 R100 K101 M102G96-E98 PolarHBondContact O-N 3.17Å; G96-E98 VanDerWaalsContact O-N 3.14Å; E98-R100 VanDerWaalsContact C-N 3.27Å; E98-R100 PolarHBondContact O-N 3.28Å; E98-K101 PolarHBondContact O-N 3.45Å; E98-K101 IonicContact OE2-NZ 2.82Å; E98-M102 WeakPolarHBondContact O-CB 3.24Å; E98-M102 PolarHBondContact O-N 3.39Å
99E82.7Confident78Confident67 Ų6797.9 Ų97.931%0.31348%0.479SS..Hα-helixtrans-63.7-37.9174.1-167.5-174.417800110.8S95 G96 M102 N103S95-E99 VanDerWaalsContact CA-OE2 3.24Å; S95-E99 WeakPolarHBondContact CA-OE2 3.25Å; S95-E99 PolarHBondContact N-OE2 3.25Å; G96-E99 PolarHBondContact O-N 3.29Å; E99-M102 HydrophobicContact CG-CE 4.11Å; E99-M102 PolarHBondContact O-N 2.9Å; E99-N103 VanDerWaalsContact O-CB 3.3Å; E99-N103 WeakPolarHBondContact O-CB 3.04Å; E99-N103 PolarHBondContact O-N 3.19Å; E99-N103 PolarHBondContact O-OD1 3.06Å
100R84.7Confident78.7Confident76 Ų7694.9 Ų94.929%0.28746%0.462SS..Hα-helixtrans-63-44.2175.6-168.7175.3-177.1-174.3-9.8111.8G96 L97 E98 N103 Y104 K150 M151 D153G96-R100 PolarHBondContact O-N 3.08Å; G96-R100 VanDerWaalsContact O-N 3.07Å; L97-R100 WeakPolarHBondContact O-CB 3.18Å; L97-R100 PolarHBondContact O-N 3.46Å; E98-R100 VanDerWaalsContact C-N 3.27Å; E98-R100 PolarHBondContact O-N 3.28Å; R100-N103 PolarHBondContact O-N 2.86Å; R100-Y104 WeakPolarHBondContact O-CB 3.36Å; R100-Y104 PolarHBondContact O-N 3.49Å; R100-K150 VanDerWaalsContact NH2-CB 3.28Å; R100-M151 PolarHBondContact NH2-O 2.88Å; R100-D153 IonicContact CZ-OD1 2.98Å; R100-D153 IonicContact NE-OD1 2.6Å; R100-D153 PolarHBondContact NE-OD1 3.36Å; R100-D153 IonicContact NE-OD2 3.96Å; R100-D153 IonicContact NH2-OD1 2.68Å; R100-D153 PolarHBondContact NH2-OD1 3.23Å; R100-D153 IonicContact NH2-OD2 3.51Å
101K86.6Confident79.8Confident107 Ų10788.4 Ų88.447%0.46543%0.428SS..Hα-helixtrans-63.8-43174.9-73174.8-179.8176.20112.3L97 E98 Y104 E105L97-K101 WeakPolarHBondContact O-CG 2.92Å; L97-K101 PolarHBondContact O-N 2.99Å; E98-K101 PolarHBondContact O-N 3.45Å; E98-K101 IonicContact OE2-NZ 2.82Å; K101-Y104 WeakPolarHBondContact O-CB 3.49Å; K101-Y104 PolarHBondContact O-N 3.22Å; K101-E105 PolarHBondContact O-N 3.44Å
102M86.8Confident81.1Confident110 Ų11080 Ų8054%0.54240%0.397SS..Hα-helixtrans-64.5-42176.6-178.7-179.352.900111.3E98 E99 Y104 E105 R106E98-M102 WeakPolarHBondContact O-CB 3.24Å; E98-M102 PolarHBondContact O-N 3.39Å; E99-M102 HydrophobicContact CG-CE 4.11Å; E99-M102 PolarHBondContact O-N 2.9Å; M102-Y104 VanDerWaalsContact C-N 3.32Å; M102-Y104 PolarHBondContact O-N 3.07Å; M102-E105 PolarHBondContact O-N 3.05Å; M102-R106 WeakPolarHBondContact O-CB 3.43Å; M102-R106 PolarHBondContact O-N 2.73Å
103N86.6Confident82.4Confident20 Ų2077.4 Ų77.411%0.10738%0.377CS..Hα-helixtrans-61.8-41.9174.1-73.2-6.6000111.3E99 R100 R106 Y107E99-N103 VanDerWaalsContact O-CB 3.3Å; E99-N103 WeakPolarHBondContact O-CB 3.04Å; E99-N103 PolarHBondContact O-N 3.19Å; E99-N103 PolarHBondContact O-OD1 3.06Å; R100-N103 PolarHBondContact O-N 2.86Å; N103-R106 PolarHBondContact O-N 3.19Å; N103-R106 PolarHBondContact OD1-NH2 3.22Å; N103-Y107 WeakPolarHBondContact O-CD2 3.16Å; N103-Y107 PolarHBondContact O-N 2.77Å; N103-Y107 VanDerWaalsContact O-N 3.07Å
104Y89.1Confident83.8Confident47 Ų4770.5 Ų70.518%0.18435%0.35CS..Hα-helixtrans-56.7-58.4173.9177.3-102.5000111.2R100 K101 M102 R106 Y107 R108 M149 D153 F154R100-Y104 WeakPolarHBondContact O-CB 3.36Å; R100-Y104 PolarHBondContact O-N 3.49Å; K101-Y104 WeakPolarHBondContact O-CB 3.49Å; K101-Y104 PolarHBondContact O-N 3.22Å; M102-Y104 VanDerWaalsContact C-N 3.32Å; M102-Y104 PolarHBondContact O-N 3.07Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 3.26Å; Y104-Y107 PolarHBondContact O-N 2.95Å; Y104-R108 HydrophobicContact CE1-CG 4.42Å; Y104-R108 HydrophobicContact CE2-CG 4.19Å; Y104-R108 VanDerWaalsContact CZ-CD 3.48Å; Y104-R108 WeakPolarHBondContact O-CA 3.39Å; Y104-R108 WeakPolarHBondContact O-CB 3.43Å; Y104-R108 PolarHBondContact O-N 2.65Å; Y104-R108 VanDerWaalsContact OH-CD 3.28Å; Y104-R108 WeakPolarHBondContact OH-CD 3.47Å; Y104-M149 HydrophobicContact CD2-CE 4.17Å; Y104-M149 HydrophobicContact CD2-SD 3.98Å; Y104-M149 VanDerWaalsContact O-CE 3.3Å; Y104-M149 WeakPolarHBondContact O-CE 3.47Å; Y104-D153 HydrophobicContact CD2-CB 4.25Å; Y104-F154 AromaticContact CE2-CD1 3.9Å; Y104-F154 HydrophobicContact CE2-CD1 3.9Å; Y104-F154 HydrophobicContact CE2-CD2 4.48Å; Y104-F154 AromaticContact CE2-CE1 3.73Å; Y104-F154 HydrophobicContact CE2-CE1 3.73Å; Y104-F154 HydrophobicContact CE2-CE2 4.29Å; Y104-F154 HydrophobicContact CE2-CG 4.3Å; Y104-F154 AromaticContact CE2-CZ 3.93Å; Y104-F154 HydrophobicContact CE2-CZ 3.93Å
105E86.9Confident85.1Confident112 Ų11267.7 Ų67.752%0.52333%0.327SS..Hα-helixtrans-60.8-38.2-179.5-70.7-57.814800112.7K101 M102 Y107 R108K101-E105 PolarHBondContact O-N 3.44Å; M102-E105 PolarHBondContact O-N 3.05Å; E105-Y107 PolarHBondContact O-N 2.8Å; E105-R108 IonicContact OE1-NH1 3.39Å; E105-R108 PolarHBondContact OE1-NH1 2.99Å; E105-R108 VanDerWaalsContact OE1-NH1 3.14Å; E105-R108 IonicContact OE2-CZ 2.92Å; E105-R108 IonicContact OE2-NH1 3.82Å; E105-R108 PolarHBondContact OE2-NH1 2.9Å; E105-R108 IonicContact OE2-NH2 3.74Å
106R87.3Confident85.9Confident136 Ų13667.5 Ų67.551%0.51332%0.317SS..Hα-helixtrans-62.5-39.9179.4179167.556.8167.20.6113M102 N103 Y104M102-R106 WeakPolarHBondContact O-CB 3.43Å; M102-R106 PolarHBondContact O-N 2.73Å; N103-R106 PolarHBondContact O-N 3.19Å; N103-R106 PolarHBondContact OD1-NH2 3.22Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 3.26Å
107Y89.3Confident85.7Confident64 Ų6473.8 Ų73.825%0.25134%0.335SS..Hα-helixtrans-112.2-4.3-172-61.7-66000114.4N103 Y104 E105 L109 L110 V111 Y147 M149N103-Y107 WeakPolarHBondContact O-CD2 3.16Å; N103-Y107 PolarHBondContact O-N 2.77Å; N103-Y107 VanDerWaalsContact O-N 3.07Å; Y104-Y107 PolarHBondContact O-N 2.95Å; E105-Y107 PolarHBondContact O-N 2.8Å; Y107-L109 VanDerWaalsContact C-N 3.31Å; Y107-L109 PolarHBondContact O-N 3Å; Y107-L110 HydrophobicContact CD1-CD1 3.92Å; Y107-L110 PolarHBondContact O-N 3.44Å; Y107-V111 WeakPolarHBondContact O-CG2 3.29Å; Y107-V111 PolarHBondContact O-N 3.1Å; Y107-Y147 AromaticContact CD1-CD1 3.68Å; Y107-Y147 HydrophobicContact CD1-CD1 3.68Å; Y107-Y147 HydrophobicContact CD1-CG 4.38Å; Y107-Y147 VanDerWaalsContact CD2-O 3.3Å; Y107-Y147 WeakPolarHBondContact CD2-O 3.46Å; Y107-Y147 HydrophobicContact CE1-CD1 4.29Å; Y107-Y147 WeakPolarHBondContact CE2-O 3.36Å; Y107-Y147 HydrophobicContact CG-CD1 4.08Å; Y107-Y147 HydrophobicContact CG-CG 4.33Å; Y107-M149 VanDerWaalsContact C-CE 3.5Å; Y107-M149 VanDerWaalsContact CB-CE 3.49Å
108R87.6Confident84.9Confident79 Ų7969.7 Ų69.730%0.29832%0.316SS..Hα-helixtrans-50.8-49.3-176.2-175.6179.873.3-150-3.7112.4Y104 E105 L110 V111 I112 F154Y104-R108 HydrophobicContact CE1-CG 4.42Å; Y104-R108 HydrophobicContact CE2-CG 4.19Å; Y104-R108 VanDerWaalsContact CZ-CD 3.48Å; Y104-R108 WeakPolarHBondContact O-CA 3.39Å; Y104-R108 WeakPolarHBondContact O-CB 3.43Å; Y104-R108 PolarHBondContact O-N 2.65Å; Y104-R108 VanDerWaalsContact OH-CD 3.28Å; Y104-R108 WeakPolarHBondContact OH-CD 3.47Å; E105-R108 IonicContact OE1-NH1 3.39Å; E105-R108 PolarHBondContact OE1-NH1 2.99Å; E105-R108 VanDerWaalsContact OE1-NH1 3.14Å; E105-R108 IonicContact OE2-CZ 2.92Å; E105-R108 IonicContact OE2-NH1 3.82Å; E105-R108 PolarHBondContact OE2-NH1 2.9Å; E105-R108 IonicContact OE2-NH2 3.74Å; R108-L110 PolarHBondContact O-N 3.27Å; R108-V111 PolarHBondContact O-N 2.62Å; R108-I112 HydrophobicContact CG-CD1 3.83Å; R108-I112 WeakPolarHBondContact O-CB 3.41Å; R108-I112 VanDerWaalsContact O-CG1 3.29Å; R108-I112 WeakPolarHBondContact O-CG1 3.41Å; R108-I112 PolarHBondContact O-N 3.24Å; R108-F154 HydrophobicContact CG-CE1 3.93Å; R108-F154 HydrophobicContact CG-CZ 4.2Å
109L84.8Confident83.8Confident77 Ų7772.8 Ų72.840%0.40333%0.328SS..Hα-helixtrans-66.6-37-178.1-68176.6000112.8Y107 I112 N113Y107-L109 VanDerWaalsContact C-N 3.31Å; Y107-L109 PolarHBondContact O-N 3Å; L109-I112 PolarHBondContact O-N 3Å; L109-N113 WeakPolarHBondContact O-CB 3.43Å; L109-N113 PolarHBondContact O-N 3.41Å; L109-N113 PolarHBondContact O-ND2 2.94Å
110L86.2Confident82.5Confident55 Ų5577.6 Ų77.629%0.28835%0.348SS..Hα-helixtrans-67.7-42.3178.5-68.8170000111.1Y107 R108 N113 D114 F121 Y147Y107-L110 HydrophobicContact CD1-CD1 3.92Å; Y107-L110 PolarHBondContact O-N 3.44Å; R108-L110 PolarHBondContact O-N 3.27Å; L110-N113 PolarHBondContact O-N 3.25Å; L110-D114 WeakPolarHBondContact O-CB 3.28Å; L110-D114 PolarHBondContact O-N 3.46Å; L110-F121 HydrophobicContact CD2-CE1 3.68Å; L110-F121 HydrophobicContact CD2-CZ 4.22Å; L110-Y147 HydrophobicContact CB-CD1 4.47Å; L110-Y147 HydrophobicContact CB-CE1 3.86Å; L110-Y147 HydrophobicContact CD1-CE1 4.26Å
111V88.6Confident81.1Confident0 Ų081.1 Ų81.10%037%0.365CS..Hα-helixtrans-62.4-43.8175.1175.70000111.4Y107 R108 D114 F115 L140 I143 A144 Y147 M149 F154Y107-V111 WeakPolarHBondContact O-CG2 3.29Å; Y107-V111 PolarHBondContact O-N 3.1Å; R108-V111 PolarHBondContact O-N 2.62Å; V111-D114 PolarHBondContact O-N 2.8Å; V111-F115 WeakPolarHBondContact O-CB 3.3Å; V111-F115 PolarHBondContact O-N 3.3Å; V111-L140 HydrophobicContact CG1-CD1 3.8Å; V111-L140 HydrophobicContact CG1-CG 4.27Å; V111-I143 HydrophobicContact CG1-CB 4.36Å; V111-I143 HydrophobicContact CG1-CG2 4.01Å; V111-A144 HydrophobicContact CG1-CB 3.98Å; V111-A144 HydrophobicContact CG2-CB 4.21Å; V111-Y147 HydrophobicContact CG2-CD2 3.42Å; V111-Y147 VanDerWaalsContact CG2-CD2 3.42Å; V111-Y147 HydrophobicContact CG2-CE2 3.91Å; V111-Y147 HydrophobicContact CG2-CG 3.95Å; V111-M149 HydrophobicContact CG2-CE 4.07Å; V111-M149 HydrophobicContact CG2-SD 4.41Å; V111-F154 HydrophobicContact CB-CE2 4.15Å; V111-F154 HydrophobicContact CB-CZ 3.92Å; V111-F154 HydrophobicContact CG1-CE2 3.57Å; V111-F154 HydrophobicContact CG1-CZ 3.67Å; V111-F154 HydrophobicContact CG2-CE2 4.48Å
112I86.4Confident79.3Confident8 Ų884.7 Ų84.74%0.04138%0.384CS..Hα-helixtrans-62.3-46.4176.8-76.5174000111.4R108 L109 D114 F115 E116 L127 L140 F154R108-I112 HydrophobicContact CG-CD1 3.83Å; R108-I112 WeakPolarHBondContact O-CB 3.41Å; R108-I112 VanDerWaalsContact O-CG1 3.29Å; R108-I112 WeakPolarHBondContact O-CG1 3.41Å; R108-I112 PolarHBondContact O-N 3.24Å; L109-I112 PolarHBondContact O-N 3Å; I112-D114 VanDerWaalsContact C-N 3.34Å; I112-D114 PolarHBondContact O-N 3.44Å; I112-F115 WeakPolarHBondContact O-CB 3.42Å; I112-F115 PolarHBondContact O-N 3.43Å; I112-E116 PolarHBondContact O-N 3.14Å; I112-L127 HydrophobicContact CB-CD1 4.05Å; I112-L127 HydrophobicContact CG1-CD1 4.01Å; I112-L127 HydrophobicContact CG2-CB 4.25Å; I112-L127 HydrophobicContact CG2-CD1 3.43Å; I112-L127 VanDerWaalsContact CG2-CD1 3.43Å; I112-L127 HydrophobicContact CG2-CG 3.86Å; I112-L140 HydrophobicContact CG1-CD1 4.44Å; I112-F154 HydrophobicContact CG1-CE1 4.36Å
113N84.7Confident77.8Confident16 Ų1686.4 Ų86.49%0.08639%0.388CS..Hα-helixtrans-63.5-40.6179.6-73-13.5000112.1L109 L110 F115 K117 S118L109-N113 WeakPolarHBondContact O-CB 3.43Å; L109-N113 PolarHBondContact O-N 3.41Å; L109-N113 PolarHBondContact O-ND2 2.94Å; L110-N113 PolarHBondContact O-N 3.25Å; N113-F115 VanDerWaalsContact C-N 3.34Å; N113-K117 PolarHBondContact O-N 2.63Å; N113-K117 VanDerWaalsContact O-N 3.08Å; N113-S118 PolarHBondContact O-N 3.27Å
114D87.3Confident76.3Confident54 Ų5493.7 Ų93.729%0.28942%0.416SS..Hα-helixtrans-61.1-43.4173.4-89.20.1000111.5L110 V111 I112 K117 I143 R146 Y147L110-D114 WeakPolarHBondContact O-CB 3.28Å; L110-D114 PolarHBondContact O-N 3.46Å; V111-D114 PolarHBondContact O-N 2.8Å; I112-D114 VanDerWaalsContact C-N 3.34Å; I112-D114 PolarHBondContact O-N 3.44Å; D114-K117 PolarHBondContact O-N 3.39Å; D114-I143 HydrophobicContact CB-CG2 3.75Å; D114-R146 IonicContact OD2-CZ 3.86Å; D114-R146 IonicContact OD2-NH2 3.55Å; D114-R146 PolarHBondContact OD2-NH2 3.34Å; D114-Y147 VanDerWaalsContact CG-OH 3.31Å; D114-Y147 WeakPolarHBondContact OD2-CE2 3.46Å; D114-Y147 PolarHBondContact OD2-OH 2.96Å
115F87.3Confident74.8Confident28 Ų2893 Ų9312%0.12342%0.416CS..Hα-helixtrans-63.9-45.7178.8175.7-101.5000112V111 I112 N113 K117 L127 L132 D136 E139 L140 I143V111-F115 WeakPolarHBondContact O-CB 3.3Å; V111-F115 PolarHBondContact O-N 3.3Å; I112-F115 WeakPolarHBondContact O-CB 3.42Å; I112-F115 PolarHBondContact O-N 3.43Å; N113-F115 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 3.49Å; F115-L127 HydrophobicContact CD1-CD1 3.89Å; F115-L127 HydrophobicContact CE1-CD1 4.46Å; F115-L132 HydrophobicContact CE1-CD2 4Å; F115-L132 HydrophobicContact CZ-CD2 4.36Å; F115-D136 HydrophobicContact CE2-CB 4.31Å; F115-D136 HydrophobicContact CZ-CB 3.71Å; F115-E139 HydrophobicContact CD2-CB 4.34Å; F115-E139 HydrophobicContact CD2-CG 4.1Å; F115-E139 HydrophobicContact CE2-CB 3.97Å; F115-E139 HydrophobicContact CE2-CG 4.07Å; F115-L140 HydrophobicContact CB-CD1 3.55Å; F115-L140 HydrophobicContact CD1-CD1 4.15Å; F115-L140 HydrophobicContact CD2-CB 4.33Å; F115-L140 HydrophobicContact CD2-CD1 4.25Å; F115-L140 HydrophobicContact CG-CD1 3.72Å; F115-I143 HydrophobicContact CB-CD1 3.96Å; F115-I143 HydrophobicContact CD2-CD1 4.1Å
116E82.9Confident73.7Confident71 Ų7199.2 Ų99.233%0.33244%0.435SS..Hα-helixtrans-72.8-11176.3-67.7-159.7148.500114.1I112 S118 V125 L127I112-E116 PolarHBondContact O-N 3.14Å; E116-S118 PolarHBondContact O-N 2.89Å; E116-S118 VanDerWaalsContact O-N 3.17Å; E116-V125 VanDerWaalsContact CD-CG1 3.44Å; E116-V125 WeakPolarHBondContact OE1-CG1 3.3Å; E116-V125 VanDerWaalsContact OE2-CB 3.25Å; E116-V125 WeakPolarHBondContact OE2-CB 3.46Å; E116-V125 WeakPolarHBondContact OE2-CG1 3.4Å; E116-V125 WeakPolarHBondContact OE2-CG2 3.3Å; E116-L127 HydrophobicContact CG-CD1 3.83Å; E116-L127 HydrophobicContact CG-CD2 3.96Å; E116-L127 HydrophobicContact CG-CG 3.98Å; E116-L127 WeakPolarHBondContact OE1-CD2 3.21Å; E116-L127 VanDerWaalsContact OE1-CG 3.24Å; E116-L127 WeakPolarHBondContact OE1-CG 3.36Å
117K77.7Confident72.9Confident168 Ų16894.4 Ų94.473%0.7342%0.419SS*.THydrogen-bonded Turntrans54.130.5-171.9-54.6173.7-175.6168.80112.1N113 D114 F115 K119N113-K117 PolarHBondContact O-N 2.63Å; N113-K117 VanDerWaalsContact O-N 3.08Å; D114-K117 PolarHBondContact O-N 3.39Å; F115-K117 PolarHBondContact O-N 3.49Å; K117-K119 PolarHBondContact O-N 3.4Å; K117-K119 VanDerWaalsContact O-N 3.14Å
118S64.8Low72.3Confident34 Ų3495.5 Ų95.524%0.23843%0.429CS..  trans-66.7115.9179.7178.50000109.2N113 E116 F120N113-S118 PolarHBondContact O-N 3.27Å; E116-S118 PolarHBondContact O-N 2.89Å; E116-S118 VanDerWaalsContact O-N 3.17Å; S118-F120 PolarHBondContact O-N 3.38Å; S118-F120 PolarHBondContact OG-N 2.89Å; S118-F120 PolarHBondContact OG-O 2.8Å; S118-F120 VanDerWaalsContact OG-O 3.14Å
119K61.1Low71.9Confident199 Ų19993.1 Ų93.187%0.86542%0.422SS*.SBendtrans-66.3-17.6173.8-67.3-174.7178.7-178.50112.6K117K117-K119 PolarHBondContact O-N 3.4Å; K117-K119 VanDerWaalsContact O-N 3.14Å
120F56.8Low71.7Confident168 Ų16892.6 Ų92.674%0.73743%0.425SS*.SBendtrans-97.698.3178-68.4-81000108.9S118 Q122 K123S118-F120 PolarHBondContact O-N 3.38Å; S118-F120 PolarHBondContact OG-N 2.89Å; S118-F120 PolarHBondContact OG-O 2.8Å; S118-F120 VanDerWaalsContact OG-O 3.14Å; F120-Q122 PolarHBondContact O-N 2.75Å; F120-K123 PolarHBondContact O-N 3.41Å
121F53.3Low71.6Confident150 Ų15096.6 Ų96.666%0.65845%0.446SS*.THydrogen-bonded Turntrans-55.8-0.3-176.7-128-93.1000115.9L110L110-F121 HydrophobicContact CD2-CE1 3.68Å; L110-F121 HydrophobicContact CD2-CZ 4.22Å
122Q50.7Low71.5Confident182 Ų18297.6 Ų97.685%0.8545%0.451SS*.THydrogen-bonded Turntrans-137.314.7-165.5-74-170.4-29.100114.6F120 Y124F120-Q122 PolarHBondContact O-N 2.75Å; Q122-Y124 PolarHBondContact O-N 2.92Å
123K54.4Low71.7Confident146 Ų146100.6 Ų100.664%0.63547%0.47SS*.  trans-79.7120.1165.2-156.2172.6-176.2-1740106.7F120 V125F120-K123 PolarHBondContact O-N 3.41Å; K123-V125 HydrophobicContact CB-CG2 3.58Å; K123-V125 HydrophobicContact CD-CG2 4Å; K123-V125 HydrophobicContact CG-CG2 3.79Å; K123-V125 PolarHBondContact O-N 3.34Å
124Y54.7Low72Confident174 Ų174105.8 Ų105.868%0.68250%0.497SS*.  trans-61.479158.6-73.7-88.7000106.6Q122 R126Q122-Y124 PolarHBondContact O-N 2.92Å; Y124-R126 PolarHBondContact O-N 3.41Å; Y124-R126 VanDerWaalsContact O-N 3.15Å
125V57.9Low72.2Confident32 Ų32110.7 Ų110.719%0.19452%0.519CS..  trans-78.1111.5177.3-166.90000106.2E116 K123 L127E116-V125 VanDerWaalsContact CD-CG1 3.44Å; E116-V125 WeakPolarHBondContact OE1-CG1 3.3Å; E116-V125 VanDerWaalsContact OE2-CB 3.25Å; E116-V125 WeakPolarHBondContact OE2-CB 3.46Å; E116-V125 WeakPolarHBondContact OE2-CG1 3.4Å; E116-V125 WeakPolarHBondContact OE2-CG2 3.3Å; K123-V125 HydrophobicContact CB-CG2 3.58Å; K123-V125 HydrophobicContact CD-CG2 4Å; K123-V125 HydrophobicContact CG-CG2 3.79Å; K123-V125 PolarHBondContact O-N 3.34Å; V125-L127 PolarHBondContact O-N 2.96Å
126R64.2Low72.4Confident242 Ų242111.6 Ų111.691%0.91353%0.525SS*.  trans-74.172.4172.2-163.8176.4-172166.71.7107Y124 D128Y124-R126 PolarHBondContact O-N 3.41Å; Y124-R126 VanDerWaalsContact O-N 3.15Å; R126-D128 PolarHBondContact O-N 2.64Å
127L70.3Confident72.7Confident35 Ų35108.9 Ų108.918%0.18351%0.512CS..  trans-62.4114.4163.7-86.6-172.8000107.2I112 F115 E116 V125 I129I112-L127 HydrophobicContact CB-CD1 4.05Å; I112-L127 HydrophobicContact CG1-CD1 4.01Å; I112-L127 HydrophobicContact CG2-CB 4.25Å; I112-L127 HydrophobicContact CG2-CD1 3.43Å; I112-L127 VanDerWaalsContact CG2-CD1 3.43Å; I112-L127 HydrophobicContact CG2-CG 3.86Å; F115-L127 HydrophobicContact CD1-CD1 3.89Å; F115-L127 HydrophobicContact CE1-CD1 4.46Å; E116-L127 HydrophobicContact CG-CD1 3.83Å; E116-L127 HydrophobicContact CG-CD2 3.96Å; E116-L127 HydrophobicContact CG-CG 3.98Å; E116-L127 WeakPolarHBondContact OE1-CD2 3.21Å; E116-L127 VanDerWaalsContact OE1-CG 3.24Å; E116-L127 WeakPolarHBondContact OE1-CG 3.36Å; V125-L127 PolarHBondContact O-N 2.96Å; L127-I129 PolarHBondContact O-N 2.92Å
128D77.4Confident73.4Confident87 Ų87106 Ų10647%0.46550%0.501SS..  trans-82.399.6170.3-162-21.8000108.4R126 S130 L131R126-D128 PolarHBondContact O-N 2.64Å; D128-S130 VanDerWaalsContact CG-OG 3.24Å; D128-S130 PolarHBondContact O-N 3.32Å; D128-S130 VanDerWaalsContact O-N 3.1Å; D128-S130 WeakPolarHBondContact OD1-CB 3.4Å; D128-S130 PolarHBondContact OD1-N 3.33Å; D128-S130 PolarHBondContact OD1-OG 3Å; D128-L131 HydrophobicContact CB-CD1 3.94Å; D128-L131 HydrophobicContact CB-CG 4Å; D128-L131 PolarHBondContact O-N 3.3Å
129I77.6Confident74.8Confident30 Ų30107.9 Ų107.915%0.15451%0.506CS..G310 helixtrans-57.8-26.4-177.5-61.7167.8000110.9L127 L131 L132 M137 F154 T155L127-I129 PolarHBondContact O-N 2.92Å; I129-L131 VanDerWaalsContact C-N 3.25Å; I129-L131 PolarHBondContact O-N 3.44Å; I129-L132 HydrophobicContact CG2-CD1 4.45Å; I129-L132 PolarHBondContact O-N 3.09Å; I129-M137 HydrophobicContact CG2-CE 3.82Å; I129-M137 HydrophobicContact CG2-SD 3.45Å; I129-M137 WeakPolarHBondContact CG2-SD 3.31Å; I129-F154 HydrophobicContact CD1-CD1 3.94Å; I129-F154 HydrophobicContact CD1-CE1 4.38Å; I129-T155 VanDerWaalsContact CG2-O 3.31Å; I129-T155 WeakPolarHBondContact CG2-O 3.4Å
130S80.3Confident76.2Confident65 Ų6598.4 Ų98.446%0.45547%0.465SS..G310 helixtrans-67.5-23.7178.372.20000113.8D128D128-S130 VanDerWaalsContact CG-OG 3.24Å; D128-S130 PolarHBondContact O-N 3.32Å; D128-S130 VanDerWaalsContact O-N 3.1Å; D128-S130 WeakPolarHBondContact OD1-CB 3.4Å; D128-S130 PolarHBondContact OD1-N 3.33Å; D128-S130 PolarHBondContact OD1-OG 3Å
131L85.9Confident78Confident140 Ų14091.1 Ų91.173%0.73343%0.434SS*.G310 helixtrans-90.8-8.4-179.5-58.5-178.6000113.3D128 I129D128-L131 HydrophobicContact CB-CD1 3.94Å; D128-L131 HydrophobicContact CB-CG 4Å; D128-L131 PolarHBondContact O-N 3.3Å; I129-L131 VanDerWaalsContact C-N 3.25Å; I129-L131 PolarHBondContact O-N 3.44Å
132L86.1Confident79.9Confident21 Ų2189.8 Ų89.811%0.1142%0.424CS..SBendtrans-72.5142.9-178.3-67.9174.5000111.4F115 I129 D136 M137 L140 K156F115-L132 HydrophobicContact CE1-CD2 4Å; F115-L132 HydrophobicContact CZ-CD2 4.36Å; I129-L132 HydrophobicContact CG2-CD1 4.45Å; I129-L132 PolarHBondContact O-N 3.09Å; L132-D136 HydrophobicContact CB-CB 3.91Å; L132-D136 HydrophobicContact CD2-CB 3.95Å; L132-D136 HydrophobicContact CG-CB 4.39Å; L132-M137 HydrophobicContact CB-CG 4.08Å; L132-M137 HydrophobicContact CB-SD 4.01Å; L132-M137 HydrophobicContact CD1-SD 3.86Å; L132-L140 HydrophobicContact CD1-CD2 4.17Å; L132-K156 WeakPolarHBondContact O-CE 3.33Å; L132-K156 PolarHBondContact O-NZ 2.6Å
133T91Very high81.9Confident71 Ų7182.1 Ų82.144%0.43639%0.389SS..  trans-67.1165.6171.870.10000110.2E135 D136 M137T133-E135 PolarHBondContact O-N 3.39Å; T133-E135 PolarHBondContact OG1-N 3.15Å; T133-D136 WeakPolarHBondContact CB-OD2 3.03Å; T133-D136 WeakPolarHBondContact CG2-OD2 3.37Å; T133-D136 PolarHBondContact N-OD2 3.37Å; T133-D136 PolarHBondContact O-N 3.18Å; T133-D136 PolarHBondContact OG1-N 3.33Å; T133-D136 VanDerWaalsContact OG1-N 3.15Å; T133-D136 PolarHBondContact OG1-OD2 2.96Å; T133-M137 WeakPolarHBondContact O-CG 3.42Å; T133-M137 PolarHBondContact O-N 2.82Å
134N90.6Very high83.7Confident124 Ų12475.1 Ų75.166%0.66336%0.359SS*.Hα-helixtrans-65.9-27.7176.5-65-19.4000111.8H138 K156N134-H138 PolarHBondContact O-N 3.1Å; N134-H138 VanDerWaalsContact O-N 3.07Å; N134-K156 PolarHBondContact OD1-NZ 3.39Å
135E91.3Very high85.4Confident157 Ų15770 Ų7073%0.73435%0.345SS*.Hα-helixtrans-70.1-46175.4-66.1176.9-172.100111.2T133 M137 H138 E139T133-E135 PolarHBondContact O-N 3.39Å; T133-E135 PolarHBondContact OG1-N 3.15Å; E135-M137 VanDerWaalsContact C-N 3.31Å; E135-M137 PolarHBondContact O-N 3.12Å; E135-H138 WeakPolarHBondContact O-CB 3.4Å; E135-H138 PolarHBondContact O-N 3.19Å; E135-H138 VanDerWaalsContact O-N 3.13Å; E135-E139 PolarHBondContact O-N 2.7Å
136D91.2Very high87Confident48 Ų4876.6 Ų76.626%0.25737%0.367SS..Hα-helixtrans-58.2-44.6174.2-63.4-40.1000111.1F115 L132 T133 H138 E139 L140F115-D136 HydrophobicContact CE2-CB 4.31Å; F115-D136 HydrophobicContact CZ-CB 3.71Å; L132-D136 HydrophobicContact CB-CB 3.91Å; L132-D136 HydrophobicContact CD2-CB 3.95Å; L132-D136 HydrophobicContact CG-CB 4.39Å; T133-D136 WeakPolarHBondContact CB-OD2 3.03Å; T133-D136 WeakPolarHBondContact CG2-OD2 3.37Å; T133-D136 PolarHBondContact N-OD2 3.37Å; T133-D136 PolarHBondContact O-N 3.18Å; T133-D136 PolarHBondContact OG1-N 3.33Å; T133-D136 VanDerWaalsContact OG1-N 3.15Å; T133-D136 PolarHBondContact OG1-OD2 2.96Å; D136-H138 VanDerWaalsContact C-N 3.3Å; D136-H138 PolarHBondContact O-N 3.46Å; D136-E139 PolarHBondContact O-N 3.41Å; D136-E139 VanDerWaalsContact O-N 3.15Å; D136-L140 WeakPolarHBondContact O-CB 3.44Å; D136-L140 PolarHBondContact O-N 2.8Å
137M90.4Very high88.3Confident14 Ų1467.8 Ų67.87%0.06933%0.334CS..Hα-helixtrans-61.3-38.7176.5-76-55.8-54.100112.6I129 L132 T133 E135 N141 F154 K156I129-M137 HydrophobicContact CG2-CE 3.82Å; I129-M137 HydrophobicContact CG2-SD 3.45Å; I129-M137 WeakPolarHBondContact CG2-SD 3.31Å; L132-M137 HydrophobicContact CB-CG 4.08Å; L132-M137 HydrophobicContact CB-SD 4.01Å; L132-M137 HydrophobicContact CD1-SD 3.86Å; T133-M137 WeakPolarHBondContact O-CG 3.42Å; T133-M137 PolarHBondContact O-N 2.82Å; E135-M137 VanDerWaalsContact C-N 3.31Å; E135-M137 PolarHBondContact O-N 3.12Å; M137-N141 WeakPolarHBondContact O-CB 3.45Å; M137-N141 PolarHBondContact O-N 3.34Å; M137-N141 VanDerWaalsContact O-N 3.09Å; M137-N141 PolarHBondContact O-ND2 3.14Å; M137-F154 HydrophobicContact CE-CB 3.58Å; M137-F154 WeakPolarHBondContact CE-O 3.39Å; M137-K156 HydrophobicContact CG-CG 4.41Å
138H92.4Very high89.1Confident106 Ų10668.7 Ų68.749%0.49135%0.352SS..Hα-helixtrans-68.7-38.8175.2-171.4-58.1000111.1N134 E135 D136 R142N134-H138 PolarHBondContact O-N 3.1Å; N134-H138 VanDerWaalsContact O-N 3.07Å; E135-H138 WeakPolarHBondContact O-CB 3.4Å; E135-H138 PolarHBondContact O-N 3.19Å; E135-H138 VanDerWaalsContact O-N 3.13Å; D136-H138 VanDerWaalsContact C-N 3.3Å; D136-H138 PolarHBondContact O-N 3.46Å; H138-R142 WeakPolarHBondContact ND1-CD 3.45Å; H138-R142 PolarHBondContact ND1-NE 3.07Å; H138-R142 WeakPolarHBondContact O-CB 3.34Å; H138-R142 VanDerWaalsContact O-CG 3.29Å; H138-R142 WeakPolarHBondContact O-CG 3.48Å; H138-R142 PolarHBondContact O-N 3.39Å
139E92.6Very high89.6Confident75 Ų7564.9 Ų64.935%0.3533%0.331SS..Hα-helixtrans-66.1-44.4175.4-172.6170.5-17500112.7F115 E135 D136 N141 R142 I143F115-E139 HydrophobicContact CD2-CB 4.34Å; F115-E139 HydrophobicContact CD2-CG 4.1Å; F115-E139 HydrophobicContact CE2-CB 3.97Å; F115-E139 HydrophobicContact CE2-CG 4.07Å; E135-E139 PolarHBondContact O-N 2.7Å; D136-E139 PolarHBondContact O-N 3.41Å; D136-E139 VanDerWaalsContact O-N 3.15Å; E139-N141 PolarHBondContact O-N 2.99Å; E139-R142 WeakPolarHBondContact O-CB 3.42Å; E139-R142 PolarHBondContact O-N 3.21Å; E139-R142 VanDerWaalsContact O-N 3.1Å; E139-I143 HydrophobicContact CG-CD1 4.16Å; E139-I143 WeakPolarHBondContact O-CG1 3.49Å; E139-I143 PolarHBondContact O-N 3.17Å
140L91.8Very high90.1Very high0 Ų068.2 Ų68.20%035%0.345CS..Hα-helixtrans-58.5-47.2176-169.669.1000111.3V111 I112 F115 L132 D136 R142 I143 A144 F154V111-L140 HydrophobicContact CG1-CD1 3.8Å; V111-L140 HydrophobicContact CG1-CG 4.27Å; I112-L140 HydrophobicContact CG1-CD1 4.44Å; F115-L140 HydrophobicContact CB-CD1 3.55Å; F115-L140 HydrophobicContact CD1-CD1 4.15Å; F115-L140 HydrophobicContact CD2-CB 4.33Å; F115-L140 HydrophobicContact CD2-CD1 4.25Å; F115-L140 HydrophobicContact CG-CD1 3.72Å; L132-L140 HydrophobicContact CD1-CD2 4.17Å; D136-L140 WeakPolarHBondContact O-CB 3.44Å; D136-L140 PolarHBondContact O-N 2.8Å; L140-R142 VanDerWaalsContact C-N 3.34Å; L140-R142 PolarHBondContact O-N 2.65Å; L140-I143 PolarHBondContact O-N 3.14Å; L140-A144 WeakPolarHBondContact O-CB 3.38Å; L140-A144 PolarHBondContact O-N 2.96Å; L140-F154 HydrophobicContact CD2-CB 3.87Å; L140-F154 HydrophobicContact CD2-CD1 3.33Å; L140-F154 HydrophobicContact CD2-CD2 4.19Å; L140-F154 HydrophobicContact CD2-CE1 3.81Å; L140-F154 HydrophobicContact CD2-CG 3.53Å; L140-F154 HydrophobicContact CD2-CZ 4.43Å; L140-F154 HydrophobicContact CG-CB 4.38Å; L140-F154 HydrophobicContact CG-CD1 3.98Å; L140-F154 HydrophobicContact CG-CD2 4Å; L140-F154 HydrophobicContact CG-CE1 4.19Å; L140-F154 HydrophobicContact CG-CE2 4.25Å; L140-F154 HydrophobicContact CG-CG 3.85Å; L140-F154 HydrophobicContact CG-CZ 4.33Å
141N93.2Very high90.5Very high14 Ų1470.2 Ų70.28%0.07535%0.348CS..Hα-helixtrans-63.9-36.1174.7-82.2-69.1000112.7M137 E139 A144 T145 M151 G152 D153 F154M137-N141 WeakPolarHBondContact O-CB 3.45Å; M137-N141 PolarHBondContact O-N 3.34Å; M137-N141 VanDerWaalsContact O-N 3.09Å; M137-N141 PolarHBondContact O-ND2 3.14Å; E139-N141 PolarHBondContact O-N 2.99Å; N141-A144 WeakPolarHBondContact O-CB 3.24Å; N141-A144 PolarHBondContact O-N 2.72Å; N141-T145 PolarHBondContact O-N 3.15Å; N141-M151 HydrophobicContact CB-SD 3.9Å; N141-G152 WeakPolarHBondContact OD1-CA 3.44Å; N141-G152 PolarHBondContact OD1-N 2.96Å; N141-D153 PolarHBondContact OD1-N 3.28Å; N141-F154 PolarHBondContact ND2-O 2.68Å; N141-F154 PolarHBondContact OD1-N 3.19Å; N141-F154 VanDerWaalsContact OD1-N 3.14Å
142R94.2Very high90.6Very high123 Ų12365.4 Ų65.446%0.46433%0.332SS..Hα-helixtrans-60.7-48.6173-79.6-177-66.8-154.52.8111.5H138 E139 L140 A144 T145 M151H138-R142 WeakPolarHBondContact ND1-CD 3.45Å; H138-R142 PolarHBondContact ND1-NE 3.07Å; H138-R142 WeakPolarHBondContact O-CB 3.34Å; H138-R142 VanDerWaalsContact O-CG 3.29Å; H138-R142 WeakPolarHBondContact O-CG 3.48Å; H138-R142 PolarHBondContact O-N 3.39Å; E139-R142 WeakPolarHBondContact O-CB 3.42Å; E139-R142 PolarHBondContact O-N 3.21Å; E139-R142 VanDerWaalsContact O-N 3.1Å; L140-R142 VanDerWaalsContact C-N 3.34Å; L140-R142 PolarHBondContact O-N 2.65Å; R142-A144 VanDerWaalsContact C-N 3.28Å; R142-A144 PolarHBondContact O-N 3.38Å; R142-T145 PolarHBondContact O-N 3.37Å; R142-T145 PolarHBondContact O-OG1 3.42Å; R142-M151 HydrophobicContact CG-CE 4.07Å
143I92.8Very high90.6Very high20 Ų2065.6 Ų65.610%0.10333%0.333CS..Hα-helixtrans-61.6-40178.6-68.1169000110.7V111 D114 F115 E139 L140 T145 R146 Y147V111-I143 HydrophobicContact CG1-CB 4.36Å; V111-I143 HydrophobicContact CG1-CG2 4.01Å; D114-I143 HydrophobicContact CB-CG2 3.75Å; F115-I143 HydrophobicContact CB-CD1 3.96Å; F115-I143 HydrophobicContact CD2-CD1 4.1Å; E139-I143 HydrophobicContact CG-CD1 4.16Å; E139-I143 WeakPolarHBondContact O-CG1 3.49Å; E139-I143 PolarHBondContact O-N 3.17Å; L140-I143 PolarHBondContact O-N 3.14Å; I143-T145 PolarHBondContact O-N 3.13Å; I143-R146 WeakPolarHBondContact O-CB 3.44Å; I143-R146 PolarHBondContact O-N 2.89Å; I143-R146 VanDerWaalsContact O-N 3.12Å; I143-Y147 HydrophobicContact CG2-CE2 4.34Å
144A92Very high90.4Very high0 Ų062.4 Ų62.40%031%0.313CS..Hα-helixtrans-56.2-32.6-179.300000113.7V111 L140 N141 R142 R146 Y147 M149 F154V111-A144 HydrophobicContact CG1-CB 3.98Å; V111-A144 HydrophobicContact CG2-CB 4.21Å; L140-A144 WeakPolarHBondContact O-CB 3.38Å; L140-A144 PolarHBondContact O-N 2.96Å; N141-A144 WeakPolarHBondContact O-CB 3.24Å; N141-A144 PolarHBondContact O-N 2.72Å; R142-A144 VanDerWaalsContact C-N 3.28Å; R142-A144 PolarHBondContact O-N 3.38Å; A144-R146 PolarHBondContact O-N 3.5Å; A144-Y147 PolarHBondContact O-N 3.07Å; A144-M149 HydrophobicContact CB-CB 3.78Å; A144-M149 HydrophobicContact CB-CG 4.27Å; A144-M149 HydrophobicContact CB-SD 3.88Å; A144-M149 WeakPolarHBondContact O-CB 3.5Å; A144-M149 PolarHBondContact O-N 3.23Å; A144-F154 HydrophobicContact CB-CD2 4.02Å; A144-F154 HydrophobicContact CB-CE2 3.7Å
145T91.3Very high90Very high66 Ų6661.2 Ų61.241%0.40531%0.31SS..G310 helixtrans-61.7-26.6179.861.80000113.7N141 R142 I143 Y147 G148 M151N141-T145 PolarHBondContact O-N 3.15Å; R142-T145 PolarHBondContact O-N 3.37Å; R142-T145 PolarHBondContact O-OG1 3.42Å; I143-T145 PolarHBondContact O-N 3.13Å; T145-Y147 PolarHBondContact O-N 2.93Å; T145-G148 PolarHBondContact O-N 3.01Å; T145-M151 HydrophobicContact CG2-CE 3.38Å; T145-M151 HydrophobicContact CG2-CG 4.38Å; T145-M151 HydrophobicContact CG2-SD 4.01Å
146R91.3Very high89.2Confident171 Ų17160.8 Ų60.865%0.64531%0.306SS*.G310 helixtrans-65-21.8174-59.3-169.7-64.5-1704.6113D114 I143 A144D114-R146 IonicContact OD2-CZ 3.86Å; D114-R146 IonicContact OD2-NH2 3.55Å; D114-R146 PolarHBondContact OD2-NH2 3.34Å; I143-R146 WeakPolarHBondContact O-CB 3.44Å; I143-R146 PolarHBondContact O-N 2.89Å; I143-R146 VanDerWaalsContact O-N 3.12Å; A144-R146 PolarHBondContact O-N 3.5Å
147Y90.2Very high89.1Confident56 Ų5661.5 Ų61.522%0.2231%0.309CS..G310 helixtrans-10314-179.4-62.3-87.3000112.8Y107 L110 V111 D114 I143 A144 T145 M149Y107-Y147 AromaticContact CD1-CD1 3.68Å; Y107-Y147 HydrophobicContact CD1-CD1 3.68Å; Y107-Y147 HydrophobicContact CD1-CG 4.38Å; Y107-Y147 VanDerWaalsContact CD2-O 3.3Å; Y107-Y147 WeakPolarHBondContact CD2-O 3.46Å; Y107-Y147 HydrophobicContact CE1-CD1 4.29Å; Y107-Y147 WeakPolarHBondContact CE2-O 3.36Å; Y107-Y147 HydrophobicContact CG-CD1 4.08Å; Y107-Y147 HydrophobicContact CG-CG 4.33Å; L110-Y147 HydrophobicContact CB-CD1 4.47Å; L110-Y147 HydrophobicContact CB-CE1 3.86Å; L110-Y147 HydrophobicContact CD1-CE1 4.26Å; V111-Y147 HydrophobicContact CG2-CD2 3.42Å; V111-Y147 VanDerWaalsContact CG2-CD2 3.42Å; V111-Y147 HydrophobicContact CG2-CE2 3.91Å; V111-Y147 HydrophobicContact CG2-CG 3.95Å; D114-Y147 VanDerWaalsContact CG-OH 3.31Å; D114-Y147 WeakPolarHBondContact OD2-CE2 3.46Å; D114-Y147 PolarHBondContact OD2-OH 2.96Å; I143-Y147 HydrophobicContact CG2-CE2 4.34Å; A144-Y147 PolarHBondContact O-N 3.07Å; T145-Y147 PolarHBondContact O-N 2.93Å; Y147-M149 VanDerWaalsContact C-N 3.28Å; Y147-M149 PolarHBondContact O-N 2.93Å
148G86.8Confident89Confident54 Ų5463.9 Ų63.956%0.55732%0.322SS*.THydrogen-bonded Turntrans76.312.1179.100000114.6T145T145-G148 PolarHBondContact O-N 3.01Å
149M89.4Confident88.8Confident8 Ų861.6 Ų61.64%0.03931%0.312CS..PPolyproline II helixtrans-78.2156.2169.1-61-166.3-170.700110.8Y104 Y107 V111 A144 Y147 D153 F154Y104-M149 HydrophobicContact CD2-CE 4.17Å; Y104-M149 HydrophobicContact CD2-SD 3.98Å; Y104-M149 VanDerWaalsContact O-CE 3.3Å; Y104-M149 WeakPolarHBondContact O-CE 3.47Å; Y107-M149 VanDerWaalsContact C-CE 3.5Å; Y107-M149 VanDerWaalsContact CB-CE 3.49Å; V111-M149 HydrophobicContact CG2-CE 4.07Å; V111-M149 HydrophobicContact CG2-SD 4.41Å; A144-M149 HydrophobicContact CB-CB 3.78Å; A144-M149 HydrophobicContact CB-CG 4.27Å; A144-M149 HydrophobicContact CB-SD 3.88Å; A144-M149 WeakPolarHBondContact O-CB 3.5Å; A144-M149 PolarHBondContact O-N 3.23Å; Y147-M149 VanDerWaalsContact C-N 3.28Å; Y147-M149 PolarHBondContact O-N 2.93Å; M149-D153 WeakPolarHBondContact CA-OD2 3.07Å; M149-D153 HydrophobicContact CB-CB 4.37Å; M149-D153 WeakPolarHBondContact CB-OD2 3.29Å; M149-D153 HydrophobicContact SD-CB 4.38Å; M149-F154 HydrophobicContact CE-CE2 4.47Å; M149-F154 HydrophobicContact SD-CE2 3.69Å; M149-F154 HydrophobicContact SD-CZ 4.28Å
150K87.1Confident88.6Confident99 Ų9960.8 Ų60.843%0.4331%0.31SS..PPolyproline II helixtrans-95.2156.9175.4-71.3-179.3-176.8178.40109.9R100 G152 D153R100-K150 VanDerWaalsContact NH2-CB 3.28Å; K150-G152 PolarHBondContact O-N 2.94Å; K150-D153 PolarHBondContact N-OD2 2.96Å; K150-D153 WeakPolarHBondContact O-CB 3.4Å; K150-D153 PolarHBondContact O-N 3.45Å
151M88.9Confident88.4Confident108 Ų10864.6 Ų64.653%0.53233%0.329SS..THydrogen-bonded Turntrans-57.6133.9171.5-67.8-63.1177.700110.4R100 N141 R142 T145R100-M151 PolarHBondContact NH2-O 2.88Å; N141-M151 HydrophobicContact CB-SD 3.9Å; R142-M151 HydrophobicContact CG-CE 4.07Å; T145-M151 HydrophobicContact CG2-CE 3.38Å; T145-M151 HydrophobicContact CG2-CG 4.38Å; T145-M151 HydrophobicContact CG2-SD 4.01Å
152G87.4Confident88.1Confident38 Ų3868 Ų6839%0.39235%0.346SS..THydrogen-bonded Turntrans85.111.8-178.100000114.5N141 K150 F154 T155N141-G152 WeakPolarHBondContact OD1-CA 3.44Å; N141-G152 PolarHBondContact OD1-N 2.96Å; K150-G152 PolarHBondContact O-N 2.94Å; G152-F154 VanDerWaalsContact C-N 3.29Å; G152-T155 VanDerWaalsContact O-CG2 3.28Å; G152-T155 WeakPolarHBondContact O-CG2 3.28Å
153D87.5Confident87.6Confident26 Ų2664.1 Ų64.114%0.13934%0.338CS..SBendtrans-68.9-31.8168.8-80.4-17.4000112.2R100 Y104 N141 M149 K150R100-D153 IonicContact CZ-OD1 2.98Å; R100-D153 IonicContact NE-OD1 2.6Å; R100-D153 PolarHBondContact NE-OD1 3.36Å; R100-D153 IonicContact NE-OD2 3.96Å; R100-D153 IonicContact NH2-OD1 2.68Å; R100-D153 PolarHBondContact NH2-OD1 3.23Å; R100-D153 IonicContact NH2-OD2 3.51Å; Y104-D153 HydrophobicContact CD2-CB 4.25Å; N141-D153 PolarHBondContact OD1-N 3.28Å; M149-D153 WeakPolarHBondContact CA-OD2 3.07Å; M149-D153 HydrophobicContact CB-CB 4.37Å; M149-D153 WeakPolarHBondContact CB-OD2 3.29Å; M149-D153 HydrophobicContact SD-CB 4.38Å; K150-D153 PolarHBondContact N-OD2 2.96Å; K150-D153 WeakPolarHBondContact O-CB 3.4Å; K150-D153 PolarHBondContact O-N 3.45Å
154F86.8Confident87.2Confident4 Ų467.5 Ų67.52%0.01836%0.356CS..SBendtrans-90.6112.7166.1-67.5-88.3000108.7Y104 R108 V111 I112 I129 M137 L140 N141 A144 M149 G152Y104-F154 AromaticContact CE2-CD1 3.9Å; Y104-F154 HydrophobicContact CE2-CD1 3.9Å; Y104-F154 HydrophobicContact CE2-CD2 4.48Å; Y104-F154 AromaticContact CE2-CE1 3.73Å; Y104-F154 HydrophobicContact CE2-CE1 3.73Å; Y104-F154 HydrophobicContact CE2-CE2 4.29Å; Y104-F154 HydrophobicContact CE2-CG 4.3Å; Y104-F154 AromaticContact CE2-CZ 3.93Å; Y104-F154 HydrophobicContact CE2-CZ 3.93Å; R108-F154 HydrophobicContact CG-CE1 3.93Å; R108-F154 HydrophobicContact CG-CZ 4.2Å; V111-F154 HydrophobicContact CB-CE2 4.15Å; V111-F154 HydrophobicContact CB-CZ 3.92Å; V111-F154 HydrophobicContact CG1-CE2 3.57Å; V111-F154 HydrophobicContact CG1-CZ 3.67Å; V111-F154 HydrophobicContact CG2-CE2 4.48Å; I112-F154 HydrophobicContact CG1-CE1 4.36Å; I129-F154 HydrophobicContact CD1-CD1 3.94Å; I129-F154 HydrophobicContact CD1-CE1 4.38Å; M137-F154 HydrophobicContact CE-CB 3.58Å; M137-F154 WeakPolarHBondContact CE-O 3.39Å; L140-F154 HydrophobicContact CD2-CB 3.87Å; L140-F154 HydrophobicContact CD2-CD1 3.33Å; L140-F154 HydrophobicContact CD2-CD2 4.19Å; L140-F154 HydrophobicContact CD2-CE1 3.81Å; L140-F154 HydrophobicContact CD2-CG 3.53Å; L140-F154 HydrophobicContact CD2-CZ 4.43Å; L140-F154 HydrophobicContact CG-CB 4.38Å; L140-F154 HydrophobicContact CG-CD1 3.98Å; L140-F154 HydrophobicContact CG-CD2 4Å; L140-F154 HydrophobicContact CG-CE1 4.19Å; L140-F154 HydrophobicContact CG-CE2 4.25Å; L140-F154 HydrophobicContact CG-CG 3.85Å; L140-F154 HydrophobicContact CG-CZ 4.33Å; N141-F154 PolarHBondContact ND2-O 2.68Å; N141-F154 PolarHBondContact OD1-N 3.19Å; N141-F154 VanDerWaalsContact OD1-N 3.14Å; A144-F154 HydrophobicContact CB-CD2 4.02Å; A144-F154 HydrophobicContact CB-CE2 3.7Å; M149-F154 HydrophobicContact CE-CE2 4.47Å; M149-F154 HydrophobicContact SD-CE2 3.69Å; M149-F154 HydrophobicContact SD-CZ 4.28Å; G152-F154 VanDerWaalsContact C-N 3.29Å
155T82.2Confident86.8Confident98 Ų9873.1 Ų73.160%0.60139%0.385SS*.  trans-116.3156.9173.362.60000110.3I129 G152I129-T155 VanDerWaalsContact CG2-O 3.31Å; I129-T155 WeakPolarHBondContact CG2-O 3.4Å; G152-T155 VanDerWaalsContact O-CG2 3.28Å; G152-T155 WeakPolarHBondContact O-CG2 3.28Å
156K73.2Confident86.4Confident149 Ų14973.7 Ų73.765%0.64838%0.384SS*.  trans-70.40165.3-72.4-174.7172.4-179.50111.2L132 N134 M137L132-K156 WeakPolarHBondContact O-CE 3.33Å; L132-K156 PolarHBondContact O-NZ 2.6Å; N134-K156 PolarHBondContact OD1-NZ 3.39Å; M137-K156 HydrophobicContact CG-CG 4.41Å

Retrieved 156 of 156 residues in 87.7 ms (Link to these results)

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