A0A077Z2V5_TRITR Loading...

Signal peptidase complex subunit 1

Component of the signal peptidase complex (SPC) which catalyzes the cleavage of N-terminal signal sequences from nascent proteins as they are translocated into the lumen of the endoplasmic reticulum. Dispensable for SPC enzymatic activity.

AlphaFold DB , UniProt , Accession A0A077Z2V5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 97 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
1M61.5Low65.6Low194 Ų194128.5 Ų128.596%0.95668%0.678SS**  0-44.90-89.1174.672.500113.4S3 F4 L5M1-S3 PolarHBondContact O-N 3.08Å; M1-S3 VanDerWaalsContact O-N 3.16Å; M1-F4 PolarHBondContact O-N 3.02Å; M1-F4 VanDerWaalsContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 2.78Å
2M65.9Low65.6Low166 Ų166132.1 Ų132.182%0.81869%0.685SS**Hα-helixtrans-53.3-33.7176.8-68.6-90.5168.800113.7L5 V6M2-L5 PolarHBondContact O-N 3.06Å; M2-V6 PolarHBondContact O-N 3.31Å
3S65.7Low65.7Low80 Ų80129.1 Ų129.156%0.55968%0.682SS**Hα-helixtrans-65.9-34.8177.444.50000114.5M1 V6 S7M1-S3 PolarHBondContact O-N 3.08Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-V6 PolarHBondContact O-N 3.49Å; S3-S7 PolarHBondContact O-N 3.5Å
4F71.5Confident65.7Low150 Ų150129.8 Ų129.866%0.65869%0.694SS**Hα-helixtrans-74.3-31.9177.1-77.8-78.5000112.4M1 V6 S7 N8M1-F4 PolarHBondContact O-N 3.02Å; M1-F4 VanDerWaalsContact O-N 3.09Å; F4-V6 VanDerWaalsContact C-N 3.32Å; F4-S7 PolarHBondContact O-OG 3.33Å; F4-S7 VanDerWaalsContact O-OG 3.13Å; F4-N8 PolarHBondContact O-ND2 2.84Å
5L65.7Low66Low125 Ų125130 Ų13065%0.65469%0.689SS**Hα-helixtrans-67.5-38.7173.7-63.9179.8000110.5M1 M2 N8 L9M1-L5 PolarHBondContact O-N 2.78Å; M2-L5 PolarHBondContact O-N 3.06Å; L5-N8 PolarHBondContact O-N 3Å; L5-L9 PolarHBondContact O-N 3.48Å
6V67.8Low66.2Low97 Ų97127.9 Ų127.959%0.58868%0.677SS**Hα-helixtrans-68.9-39.3-179.2126.30000113M2 S3 F4 N8 L9M2-V6 PolarHBondContact O-N 3.31Å; S3-V6 PolarHBondContact O-N 3.49Å; F4-V6 VanDerWaalsContact C-N 3.32Å; V6-N8 PolarHBondContact O-N 3.07Å; V6-L9 HydrophobicContact CB-CD1 4.27Å; V6-L9 HydrophobicContact CG2-CD1 3.65Å; V6-L9 WeakPolarHBondContact O-CB 3.47Å; V6-L9 PolarHBondContact O-N 3.48Å; V6-L9 VanDerWaalsContact O-N 3.11Å
7S63.2Low66.5Low85 Ų85124.3 Ų124.359%0.59466%0.658SS**Hα-helixtrans-67.9-26.4179.261.50000113.2S3 F4 L9S3-S7 PolarHBondContact O-N 3.5Å; F4-S7 PolarHBondContact O-OG 3.33Å; F4-S7 VanDerWaalsContact O-OG 3.13Å; S7-L9 VanDerWaalsContact C-N 3.3Å
8N65.6Low66.9Low129 Ų129124.2 Ų124.269%0.6965%0.651SS**THydrogen-bonded Turntrans-82-6.6175.6-75.3-56.9000113.1F4 L5 V6 P10F4-N8 PolarHBondContact O-ND2 2.84Å; L5-N8 PolarHBondContact O-N 3Å; V6-N8 PolarHBondContact O-N 3.07Å; N8-P10 WeakPolarHBondContact O-CD 3.38Å
9L64.6Low67.3Low96 Ų96122.4 Ų122.450%0.50365%0.646SS.*SBendtrans-67.3124173.2-72.8155.6000108.3L5 V6 S7 K11L5-L9 PolarHBondContact O-N 3.48Å; V6-L9 HydrophobicContact CB-CD1 4.27Å; V6-L9 HydrophobicContact CG2-CD1 3.65Å; V6-L9 WeakPolarHBondContact O-CB 3.47Å; V6-L9 PolarHBondContact O-N 3.48Å; V6-L9 VanDerWaalsContact O-N 3.11Å; S7-L9 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 3.23Å
10P63.4Low67.7Low83 Ų83116.5 Ų116.554%0.53962%0.616SS.*  trans-56.2130.817523.4-31.8000108.6N8 F12N8-P10 WeakPolarHBondContact O-CD 3.38Å; P10-F12 PolarHBondContact O-N 2.84Å
11K67.3Low68.4Low208 Ų208116 Ų11690%0.90461%0.61SS**  trans-53.9109.3173-77174.9178164.80108.1L9 S13L9-K11 PolarHBondContact O-N 3.23Å; K11-S13 PolarHBondContact O-N 3.44Å
12F65.3Low69.5Low172 Ų172109.4 Ų109.475%0.75459%0.586SS**  trans-65.1110.6175.1-70.1-74.2000107.7P10 T14P10-F12 PolarHBondContact O-N 2.84Å; F12-T14 PolarHBondContact O-N 3.05Å
13S66.6Low70.4Confident93 Ų93105.3 Ų105.365%0.6556%0.564SS**  trans-58.4123.8164.4-174.10000106.6K11 H15K11-S13 PolarHBondContact O-N 3.44Å; S13-H15 PolarHBondContact O-N 2.98Å; S13-H15 VanDerWaalsContact O-N 3.1Å
14T66.1Low71.4Confident139 Ų139102.4 Ų102.485%0.85355%0.545SS*.SBendtrans-62.2-14.8176.649.20000112.2F12 I16F12-T14 PolarHBondContact O-N 3.05Å; T14-I16 PolarHBondContact O-N 3.02Å
15H70.3Confident72.3Confident133 Ų133100 Ų10062%0.61654%0.536SS*.  trans-75.9102.2173.6-166.7-78.3000110.6S13S13-H15 PolarHBondContact O-N 2.98Å; S13-H15 VanDerWaalsContact O-N 3.1Å
16I68.9Low73.5Confident96 Ų96101.7 Ų101.749%0.49253%0.533SS..  trans-77.6130.2177.2-68.3151.2000109.9T14T14-I16 PolarHBondContact O-N 3.02Å
17D71.5Confident74.6Confident67 Ų67100.1 Ų100.136%0.35852%0.524SS..  trans-89.4106174-175.4-26.1000110.3V19 G20 Q21D17-V19 PolarHBondContact O-N 3.33Å; D17-V19 PolarHBondContact OD1-N 3.3Å; D17-G20 PolarHBondContact OD1-N 3.37Å; D17-Q21 WeakPolarHBondContact O-CB 3.39Å; D17-Q21 PolarHBondContact O-N 2.86Å
18F73.4Confident76.1Confident123 Ų12399.1 Ų99.154%0.53951%0.508SS..Hα-helixtrans-67.5-32.1-179.8-63.8-76.4000113.9A22 M86F18-A22 WeakPolarHBondContact O-CB 3.17Å; F18-A22 PolarHBondContact O-N 3.41Å; F18-M86 HydrophobicContact CB-CE 4.37Å; F18-M86 HydrophobicContact CD2-CE 3.28Å; F18-M86 HydrophobicContact CE2-CE 3.75Å; F18-M86 HydrophobicContact CG-CE 4Å
19V74.7Confident77.5Confident89 Ų8996.3 Ų96.354%0.53949%0.49SS..Hα-helixtrans-75.3-46.6-177.3179.80000109.5D17 K23 V79D17-V19 PolarHBondContact O-N 3.33Å; D17-V19 PolarHBondContact OD1-N 3.3Å; V19-K23 PolarHBondContact O-N 3.12Å; V19-V79 HydrophobicContact CG2-CG1 4.31Å
20G75.7Confident79Confident5 Ų595.8 Ų95.85%0.05249%0.491CS..Hα-helixtrans-59.8-49.5172.600000111.1D17 A22 K23 A24 L74D17-G20 PolarHBondContact OD1-N 3.37Å; G20-A22 PolarHBondContact O-N 2.81Å; G20-K23 WeakPolarHBondContact O-CB 3.48Å; G20-K23 PolarHBondContact O-N 3.5Å; G20-K23 VanDerWaalsContact O-N 3.08Å; G20-A24 PolarHBondContact O-N 3.1Å; G20-L74 WeakPolarHBondContact O-CD1 3.44Å
21Q82.3Confident80.5Confident107 Ų10793.7 Ų93.750%0.548%0.477SS..Hα-helixtrans-58.4-44.2-179.7-177.1177.3-26.700112.7D17 K23 A24 E25D17-Q21 WeakPolarHBondContact O-CB 3.39Å; D17-Q21 PolarHBondContact O-N 2.86Å; Q21-K23 VanDerWaalsContact C-N 3.27Å; Q21-K23 PolarHBondContact O-N 3.16Å; Q21-A24 WeakPolarHBondContact O-CB 3.32Å; Q21-A24 PolarHBondContact O-N 3.29Å; Q21-E25 WeakPolarHBondContact O-CB 3.46Å; Q21-E25 PolarHBondContact O-N 2.79Å
22A84Confident81.9Confident54 Ų5485.9 Ų85.945%0.44645%0.445SS..Hα-helixtrans-60.8-38.1177.300000112.1F18 G20 E25 R26F18-A22 WeakPolarHBondContact O-CB 3.17Å; F18-A22 PolarHBondContact O-N 3.41Å; G20-A22 PolarHBondContact O-N 2.81Å; A22-E25 PolarHBondContact O-N 3.45Å; A22-R26 WeakPolarHBondContact O-CG 3.04Å; A22-R26 PolarHBondContact O-N 2.97Å; A22-R26 VanDerWaalsContact O-N 3.08Å
23K85.3Confident83.4Confident81 Ų8182.1 Ų82.135%0.35244%0.435SS..Hα-helixtrans-69.3-41.7177.2-166.8-178.8-164.4-176.10112.4V19 G20 Q21 E25 R26 T27 F73V19-K23 PolarHBondContact O-N 3.12Å; G20-K23 WeakPolarHBondContact O-CB 3.48Å; G20-K23 PolarHBondContact O-N 3.5Å; G20-K23 VanDerWaalsContact O-N 3.08Å; Q21-K23 VanDerWaalsContact C-N 3.27Å; Q21-K23 PolarHBondContact O-N 3.16Å; K23-E25 VanDerWaalsContact C-N 3.32Å; K23-R26 PolarHBondContact O-N 3.41Å; K23-T27 PolarHBondContact O-N 3.02Å; K23-T27 PolarHBondContact O-OG1 2.94Å; K23-F73 HydrophobicContact CD-CE1 3.98Å; K23-F73 HydrophobicContact CD-CZ 4.5Å
24A87.3Confident84.8Confident19 Ų1982.2 Ų82.216%0.15743%0.428CS..Hα-helixtrans-58.9-45.6173.900000110.8G20 Q21 R26 T27 Y28 V67 L74G20-A24 PolarHBondContact O-N 3.1Å; Q21-A24 WeakPolarHBondContact O-CB 3.32Å; Q21-A24 PolarHBondContact O-N 3.29Å; A24-R26 PolarHBondContact O-N 3.39Å; A24-T27 PolarHBondContact O-N 3.25Å; A24-Y28 WeakPolarHBondContact O-CB 3.25Å; A24-Y28 PolarHBondContact O-N 3.07Å; A24-V67 HydrophobicContact CB-CG1 3.87Å; A24-L74 HydrophobicContact CB-CD1 4.27Å
25E89.9Confident86.2Confident100 Ų10076.4 Ų76.447%0.46739%0.394SS..Hα-helixtrans-60.2-46.3177.2-173.2-172.688.200112.1Q21 A22 K23 T27 Y28 Q29Q21-E25 WeakPolarHBondContact O-CB 3.46Å; Q21-E25 PolarHBondContact O-N 2.79Å; A22-E25 PolarHBondContact O-N 3.45Å; K23-E25 VanDerWaalsContact C-N 3.32Å; E25-T27 VanDerWaalsContact C-N 3.34Å; E25-T27 PolarHBondContact O-N 2.82Å; E25-Y28 WeakPolarHBondContact O-CB 3.07Å; E25-Y28 PolarHBondContact O-N 3.32Å; E25-Q29 WeakPolarHBondContact O-CB 3.41Å; E25-Q29 VanDerWaalsContact O-CG 3.29Å; E25-Q29 WeakPolarHBondContact O-CG 3.45Å; E25-Q29 PolarHBondContact O-N 2.88Å; E25-Q29 PolarHBondContact OE1-NE2 3.46Å
26R90.7Very high87.5Confident159 Ų15971.3 Ų71.360%0.638%0.377SS*.Hα-helixtrans-62.1-42177.3-69.2-54.6-170-172.42.8112.5A22 K23 A24 Y28 Q29 V30A22-R26 WeakPolarHBondContact O-CG 3.04Å; A22-R26 PolarHBondContact O-N 2.97Å; A22-R26 VanDerWaalsContact O-N 3.08Å; K23-R26 PolarHBondContact O-N 3.41Å; A24-R26 PolarHBondContact O-N 3.39Å; R26-Y28 VanDerWaalsContact C-N 3.35Å; R26-Q29 PolarHBondContact O-N 3.42Å; R26-V30 VanDerWaalsContact O-CG2 3.3Å; R26-V30 WeakPolarHBondContact O-CG2 3.33Å; R26-V30 PolarHBondContact O-N 2.9Å
27T90.6Very high88.8Confident65 Ų6570.9 Ų70.940%0.39938%0.378SS..Hα-helixtrans-63.1-46.1178.1-51.70000110.4K23 A24 E25 Q29 V30 V31K23-T27 PolarHBondContact O-N 3.02Å; K23-T27 PolarHBondContact O-OG1 2.94Å; A24-T27 PolarHBondContact O-N 3.25Å; E25-T27 VanDerWaalsContact C-N 3.34Å; E25-T27 PolarHBondContact O-N 2.82Å; T27-Q29 PolarHBondContact O-N 3.3Å; T27-V30 PolarHBondContact O-N 2.95Å; T27-V31 WeakPolarHBondContact O-CG2 3.34Å; T27-V31 PolarHBondContact O-N 2.88Å
28Y93.9Very high90Very high64 Ų6472.3 Ų72.325%0.25139%0.385SS..Hα-helixtrans-58-47176-177-97.4000112.2A24 E25 R26 V31 L32 F60 A63 V67A24-Y28 WeakPolarHBondContact O-CB 3.25Å; A24-Y28 PolarHBondContact O-N 3.07Å; E25-Y28 WeakPolarHBondContact O-CB 3.07Å; E25-Y28 PolarHBondContact O-N 3.32Å; R26-Y28 VanDerWaalsContact C-N 3.35Å; Y28-V31 PolarHBondContact O-N 3.47Å; Y28-L32 HydrophobicContact CD1-CD1 3.88Å; Y28-L32 HydrophobicContact CE1-CD1 3.22Å; Y28-L32 HydrophobicContact CE1-CG 4.21Å; Y28-L32 HydrophobicContact CE2-CD1 4.27Å; Y28-L32 VanDerWaalsContact CZ-CD1 3.45Å; Y28-L32 WeakPolarHBondContact O-CB 3.24Å; Y28-L32 PolarHBondContact O-N 2.67Å; Y28-F60 WeakPolarHBondContact OH-CD2 2.98Å; Y28-F60 WeakPolarHBondContact OH-CE2 3.3Å; Y28-A63 HydrophobicContact CD2-CB 3.64Å; Y28-A63 HydrophobicContact CE2-CB 3.71Å; Y28-V67 HydrophobicContact CD2-CG2 4.41Å
29Q96Very high91.1Very high70 Ų7066.4 Ų66.433%0.32736%0.359SS..Hα-helixtrans-59.2-48176.4-74.8169.93.500111.8E25 R26 T27 V31 L32 V33E25-Q29 WeakPolarHBondContact O-CB 3.41Å; E25-Q29 VanDerWaalsContact O-CG 3.29Å; E25-Q29 WeakPolarHBondContact O-CG 3.45Å; E25-Q29 PolarHBondContact O-N 2.88Å; E25-Q29 PolarHBondContact OE1-NE2 3.46Å; R26-Q29 PolarHBondContact O-N 3.42Å; T27-Q29 PolarHBondContact O-N 3.3Å; Q29-V31 PolarHBondContact O-N 2.82Å; Q29-L32 PolarHBondContact O-N 3.35Å; Q29-V33 WeakPolarHBondContact O-CB 3.24Å; Q29-V33 VanDerWaalsContact O-CG2 3.24Å; Q29-V33 WeakPolarHBondContact O-CG2 3.45Å; Q29-V33 PolarHBondContact O-N 3.25Å
30V95.9Very high92.1Very high85 Ų8568.9 Ų68.952%0.51536%0.363SS..Hα-helixtrans-62-45.8-179.3170.30000111.4R26 T27 L32 V33 I34R26-V30 VanDerWaalsContact O-CG2 3.3Å; R26-V30 WeakPolarHBondContact O-CG2 3.33Å; R26-V30 PolarHBondContact O-N 2.9Å; T27-V30 PolarHBondContact O-N 2.95Å; V30-L32 PolarHBondContact O-N 3.46Å; V30-V33 PolarHBondContact O-N 2.96Å; V30-I34 HydrophobicContact CG1-CD1 3.81Å; V30-I34 WeakPolarHBondContact O-CG1 3.31Å; V30-I34 PolarHBondContact O-N 3.34Å
31V94.5Very high93Very high39 Ų3972.5 Ų72.524%0.23638%0.384CS..Hα-helixtrans-61.4-45.9178.8173.60000110.9T27 Y28 Q29 I34 A35 A63T27-V31 WeakPolarHBondContact O-CG2 3.34Å; T27-V31 PolarHBondContact O-N 2.88Å; Y28-V31 PolarHBondContact O-N 3.47Å; Q29-V31 PolarHBondContact O-N 2.82Å; V31-I34 PolarHBondContact O-N 3.49Å; V31-A35 WeakPolarHBondContact O-CB 3.25Å; V31-A35 PolarHBondContact O-N 3.38Å; V31-A63 HydrophobicContact CB-CB 4.34Å; V31-A63 HydrophobicContact CG1-CB 3.89Å
32L96.2Very high93.6Very high44 Ų4470.2 Ų70.223%0.2338%0.377CS..Hα-helixtrans-64.8-39.7177.9-80.7-176.8000113Y28 Q29 V30 A35 G36 F60Y28-L32 HydrophobicContact CD1-CD1 3.88Å; Y28-L32 HydrophobicContact CE1-CD1 3.22Å; Y28-L32 HydrophobicContact CE1-CG 4.21Å; Y28-L32 HydrophobicContact CE2-CD1 4.27Å; Y28-L32 VanDerWaalsContact CZ-CD1 3.45Å; Y28-L32 WeakPolarHBondContact O-CB 3.24Å; Y28-L32 PolarHBondContact O-N 2.67Å; Q29-L32 PolarHBondContact O-N 3.35Å; V30-L32 PolarHBondContact O-N 3.46Å; L32-A35 PolarHBondContact O-N 3.45Å; L32-G36 PolarHBondContact O-N 3.49Å; L32-F60 HydrophobicContact CD2-CB 4.06Å
33V97.3Very high94.2Very high93 Ų9367.8 Ų67.856%0.56436%0.358SS*.Hα-helixtrans-63.7-45.1177.7168.30000110.5Q29 V30 G36 V37Q29-V33 WeakPolarHBondContact O-CB 3.24Å; Q29-V33 VanDerWaalsContact O-CG2 3.24Å; Q29-V33 WeakPolarHBondContact O-CG2 3.45Å; Q29-V33 PolarHBondContact O-N 3.25Å; V30-V33 PolarHBondContact O-N 2.96Å; V33-G36 PolarHBondContact O-N 3.02Å; V33-V37 HydrophobicContact CG1-CG2 4.43Å; V33-V37 WeakPolarHBondContact O-CG2 3.41Å; V33-V37 PolarHBondContact O-N 3.46Å
34I96.9Very high94.6Very high95 Ų9572.5 Ų72.549%0.48738%0.375SS..Hα-helixtrans-61.9-46.7177.1-67.2167.4000110.4V30 V31 G36 V37 I38V30-I34 HydrophobicContact CG1-CD1 3.81Å; V30-I34 WeakPolarHBondContact O-CG1 3.31Å; V30-I34 PolarHBondContact O-N 3.34Å; V31-I34 PolarHBondContact O-N 3.49Å; I34-G36 VanDerWaalsContact C-N 3.29Å; I34-G36 PolarHBondContact O-N 3.03Å; I34-V37 PolarHBondContact O-N 3.26Å; I34-I38 HydrophobicContact CG2-CD1 3.73Å; I34-I38 HydrophobicContact CG2-CG1 4.46Å; I34-I38 VanDerWaalsContact O-CG1 3.3Å; I34-I38 WeakPolarHBondContact O-CG1 3.38Å; I34-I38 PolarHBondContact O-N 3.29Å
35A95.8Very high95Very high17 Ų1775.9 Ų75.914%0.1440%0.397CS..Hα-helixtrans-60.9-38.6176.900000112.2V31 L32 G39V31-A35 WeakPolarHBondContact O-CB 3.25Å; V31-A35 PolarHBondContact O-N 3.38Å; L32-A35 PolarHBondContact O-N 3.45Å; A35-G39 PolarHBondContact O-N 3.32Å
36G96.7Very high95.2Very high25 Ų2576.8 Ų76.826%0.25840%0.403SS..Hα-helixtrans-67.2-43.4176.500000112.9L32 V33 I34 G39 F40L32-G36 PolarHBondContact O-N 3.49Å; V33-G36 PolarHBondContact O-N 3.02Å; I34-G36 VanDerWaalsContact C-N 3.29Å; I34-G36 PolarHBondContact O-N 3.03Å; G36-G39 PolarHBondContact O-N 3Å; G36-F40 VanDerWaalsContact O-CB 3.25Å; G36-F40 WeakPolarHBondContact O-CB 3.3Å; G36-F40 PolarHBondContact O-N 2.97Å
37V97.2Very high95.3Very high87 Ų8778.1 Ų78.153%0.52742%0.416SS..Hα-helixtrans-64.2-46.6176.7171.70000110.8V33 I34 F40 V41V33-V37 HydrophobicContact CG1-CG2 4.43Å; V33-V37 WeakPolarHBondContact O-CG2 3.41Å; V33-V37 PolarHBondContact O-N 3.46Å; I34-V37 PolarHBondContact O-N 3.26Å; V37-F40 PolarHBondContact O-N 2.83Å; V37-V41 WeakPolarHBondContact O-CG2 3.46Å; V37-V41 PolarHBondContact O-N 3.49Å
38I95.9Very high95.3Very high97 Ų9780.7 Ų80.750%0.49742%0.423SS..Hα-helixtrans-61.4-47.9176.4-66168.8000109.9I34 F40 V41 V42I34-I38 HydrophobicContact CG2-CD1 3.73Å; I34-I38 HydrophobicContact CG2-CG1 4.46Å; I34-I38 VanDerWaalsContact O-CG1 3.3Å; I34-I38 WeakPolarHBondContact O-CG1 3.38Å; I34-I38 PolarHBondContact O-N 3.29Å; I38-F40 VanDerWaalsContact C-N 3.3Å; I38-F40 PolarHBondContact O-N 2.97Å; I38-V41 PolarHBondContact O-N 3.48Å; I38-V42 HydrophobicContact CG2-CG2 4.34Å; I38-V42 WeakPolarHBondContact O-CG2 3.49Å; I38-V42 PolarHBondContact O-N 2.87Å
39G96Very high95.2Very high0 Ų085.1 Ų85.10%044%0.444CS..Hα-helixtrans-57.7-42.3177.500000112.7A35 G36 G43 T52 T55A35-G39 PolarHBondContact O-N 3.32Å; G36-G39 PolarHBondContact O-N 3Å; G39-G43 PolarHBondContact O-N 2.94Å; G39-T52 WeakPolarHBondContact O-CG2 3.45Å; G39-T55 WeakPolarHBondContact CA-OG1 3.45Å
40F95.3Very high95.2Very high140 Ų14085 Ų8561%0.61445%0.45SS*.Hα-helixtrans-63.7-48.2177.3-177.5-100.6000112.2G36 V37 I38 V42 G43 Y44G36-F40 VanDerWaalsContact O-CB 3.25Å; G36-F40 WeakPolarHBondContact O-CB 3.3Å; G36-F40 PolarHBondContact O-N 2.97Å; V37-F40 PolarHBondContact O-N 2.83Å; I38-F40 VanDerWaalsContact C-N 3.3Å; I38-F40 PolarHBondContact O-N 2.97Å; F40-V42 PolarHBondContact O-N 2.9Å; F40-G43 PolarHBondContact O-N 2.91Å; F40-Y44 WeakPolarHBondContact O-CB 3.33Å; F40-Y44 PolarHBondContact O-N 3.32Å
41V96.4Very high95.1Very high82 Ų8282.9 Ų82.950%0.49744%0.436SS..Hα-helixtrans-62.5-45.3179.4173.20000111.4V37 I38 S45V37-V41 WeakPolarHBondContact O-CG2 3.46Å; V37-V41 PolarHBondContact O-N 3.49Å; I38-V41 PolarHBondContact O-N 3.48Å; V41-S45 WeakPolarHBondContact O-CB 3.32Å; V41-S45 PolarHBondContact O-N 3.15Å; V41-S45 PolarHBondContact O-OG 3.32Å
42V94.4Very high95.1Very high58 Ų5882 Ų8235%0.35243%0.431SS..Hα-helixtrans-68-45.7179.7176.10000111I38 F40 Y44 S45 M46 I51I38-V42 HydrophobicContact CG2-CG2 4.34Å; I38-V42 WeakPolarHBondContact O-CG2 3.49Å; I38-V42 PolarHBondContact O-N 2.87Å; F40-V42 PolarHBondContact O-N 2.9Å; V42-Y44 PolarHBondContact O-N 3.28Å; V42-S45 PolarHBondContact O-N 3.42Å; V42-M46 WeakPolarHBondContact O-CG 3.33Å; V42-M46 PolarHBondContact O-N 3.43Å; V42-I51 HydrophobicContact CG1-CG2 3.92Å
43G96Very high95.1Very high4 Ų484 Ų844%0.04144%0.441CS..Hα-helixtrans-67.3-34.8179.500000113.3G39 F40 M46 Q47 Q48G39-G43 PolarHBondContact O-N 2.94Å; F40-G43 PolarHBondContact O-N 2.91Å; G43-M46 PolarHBondContact O-N 3.44Å; G43-Q47 PolarHBondContact O-N 3.29Å; G43-Q48 PolarHBondContact O-N 3.38Å
44Y94.8Very high95.1Very high180 Ų18087.3 Ų87.371%0.70644%0.444SS*.Hα-helixtrans-64.4-45.7172.4-178.1-101.3000111.3F40 V42 M46 Q47F40-Y44 WeakPolarHBondContact O-CB 3.33Å; F40-Y44 PolarHBondContact O-N 3.32Å; V42-Y44 PolarHBondContact O-N 3.28Å; Y44-M46 VanDerWaalsContact C-N 3.26Å; Y44-M46 PolarHBondContact O-N 2.85Å; Y44-Q47 PolarHBondContact O-N 3.03Å; Y44-Q47 VanDerWaalsContact O-N 3.08Å
45S95.1Very high95Very high90 Ų9084.8 Ų84.863%0.62943%0.433SS*.Hα-helixtrans-62.5-34.1179.1-56.50000112.7V41 V42V41-S45 WeakPolarHBondContact O-CB 3.32Å; V41-S45 PolarHBondContact O-N 3.15Å; V41-S45 PolarHBondContact O-OG 3.32Å; V42-S45 PolarHBondContact O-N 3.42Å
46M93Very high94.9Very high118 Ų11886.7 Ų86.758%0.58144%0.443SS*.THydrogen-bonded Turntrans-88.4-4.8178.1-66.2-70-179.400113.3V42 G43 Y44 Q48 I51V42-M46 WeakPolarHBondContact O-CG 3.33Å; V42-M46 PolarHBondContact O-N 3.43Å; G43-M46 PolarHBondContact O-N 3.44Å; Y44-M46 VanDerWaalsContact C-N 3.26Å; Y44-M46 PolarHBondContact O-N 2.85Å; M46-Q48 WeakPolarHBondContact O-CG 3.49Å; M46-Q48 PolarHBondContact O-N 3.38Å; M46-I51 HydrophobicContact CB-CD1 3.48Å; M46-I51 VanDerWaalsContact CB-CD1 3.48Å; M46-I51 HydrophobicContact CG-CD1 3.71Å
47Q93.4Very high94.9Very high188 Ų18889.9 Ų89.988%0.87945%0.454SS*.THydrogen-bonded Turntrans53.925.4-177.6-148.8167.2-4.100113.8G43 Y44G43-Q47 PolarHBondContact O-N 3.29Å; Y44-Q47 PolarHBondContact O-N 3.03Å; Y44-Q47 VanDerWaalsContact O-N 3.08Å
48Q90.5Very high94.9Very high118 Ų11888.1 Ų88.155%0.55145%0.448SS*.  trans-126.7120.1-177.1-73.5-175.78.200110.9G43 M46 S50 I51G43-Q48 PolarHBondContact O-N 3.38Å; M46-Q48 WeakPolarHBondContact O-CG 3.49Å; M46-Q48 PolarHBondContact O-N 3.38Å; Q48-S50 VanDerWaalsContact C-N 3.33Å; Q48-S50 PolarHBondContact O-N 3.48Å; Q48-I51 HydrophobicContact CB-CD1 4.05Å; Q48-I51 HydrophobicContact CB-CG1 4.33Å
49F92.4Very high94.9Very high158 Ų15883.8 Ų83.869%0.69343%0.428SS*.Hα-helixtrans-69.8-29.2-179.5-171.1-111.8000113I51 T52 I53F49-I51 PolarHBondContact O-N 3.32Å; F49-I51 VanDerWaalsContact O-N 3.16Å; F49-T52 HydrophobicContact CD2-CG2 4.46Å; F49-T52 PolarHBondContact O-N 3.17Å; F49-T52 VanDerWaalsContact O-N 3.12Å; F49-T52 PolarHBondContact O-OG1 2.84Å; F49-I53 HydrophobicContact CD1-CD1 3.79Å; F49-I53 HydrophobicContact CD1-CG1 4.17Å; F49-I53 HydrophobicContact CE1-CD1 3.68Å; F49-I53 HydrophobicContact CE1-CG1 3.89Å; F49-I53 HydrophobicContact CZ-CG1 4.43Å; F49-I53 PolarHBondContact O-N 3.39Å
50S95.3Very high95Very high66 Ų6687.8 Ų87.846%0.46245%0.445SS..Hα-helixtrans-57.1-34.2-179.6-47.80000113.1Q48 T52 I53 Y54Q48-S50 VanDerWaalsContact C-N 3.33Å; Q48-S50 PolarHBondContact O-N 3.48Å; S50-T52 PolarHBondContact O-N 3.38Å; S50-I53 PolarHBondContact O-N 3.08Å; S50-Y54 WeakPolarHBondContact O-CD2 3.35Å; S50-Y54 PolarHBondContact O-N 2.87Å; S50-Y54 VanDerWaalsContact O-N 3.1Å
51I94.4Very high95Very high42 Ų4285.9 Ų85.922%0.21544%0.441CS..Hα-helixtrans-66.5-40.1-179.1-61.6171.1000110.8V42 M46 Q48 F49 I53 Y54 T55V42-I51 HydrophobicContact CG1-CG2 3.92Å; M46-I51 HydrophobicContact CB-CD1 3.48Å; M46-I51 VanDerWaalsContact CB-CD1 3.48Å; M46-I51 HydrophobicContact CG-CD1 3.71Å; Q48-I51 HydrophobicContact CB-CD1 4.05Å; Q48-I51 HydrophobicContact CB-CG1 4.33Å; F49-I51 PolarHBondContact O-N 3.32Å; F49-I51 VanDerWaalsContact O-N 3.16Å; I51-I53 VanDerWaalsContact C-N 3.26Å; I51-I53 PolarHBondContact O-N 2.9Å; I51-Y54 PolarHBondContact O-N 3.34Å; I51-T55 HydrophobicContact CG2-CG2 4.32Å; I51-T55 WeakPolarHBondContact O-CG2 3.32Å; I51-T55 PolarHBondContact O-N 3.2Å; I51-T55 PolarHBondContact O-OG1 3.33Å; I51-T55 VanDerWaalsContact O-OG1 3.07Å
52T95Very high94.9Very high20 Ų2087.2 Ų87.212%0.12345%0.445CS..Hα-helixtrans-61.6-38.1177.9740000111.1G39 F49 S50 T55 T56G39-T52 WeakPolarHBondContact O-CG2 3.45Å; F49-T52 HydrophobicContact CD2-CG2 4.46Å; F49-T52 PolarHBondContact O-N 3.17Å; F49-T52 VanDerWaalsContact O-N 3.12Å; F49-T52 PolarHBondContact O-OG1 2.84Å; S50-T52 PolarHBondContact O-N 3.38Å; T52-T55 WeakPolarHBondContact CA-OG1 3.39Å; T52-T55 PolarHBondContact O-OG1 3.48Å; T52-T56 VanDerWaalsContact O-CB 3.24Å; T52-T56 WeakPolarHBondContact O-CB 3.29Å; T52-T56 PolarHBondContact O-N 2.9Å; T52-T56 PolarHBondContact O-OG1 3.13Å
53I96.4Very high94.9Very high85 Ų8584.5 Ų84.544%0.43643%0.428SS..Hα-helixtrans-65.2-49.7177.6-60.3173.7000109.7F49 S50 I51 T55 T56 L57F49-I53 HydrophobicContact CD1-CD1 3.79Å; F49-I53 HydrophobicContact CD1-CG1 4.17Å; F49-I53 HydrophobicContact CE1-CD1 3.68Å; F49-I53 HydrophobicContact CE1-CG1 3.89Å; F49-I53 HydrophobicContact CZ-CG1 4.43Å; F49-I53 PolarHBondContact O-N 3.39Å; S50-I53 PolarHBondContact O-N 3.08Å; I51-I53 VanDerWaalsContact C-N 3.26Å; I51-I53 PolarHBondContact O-N 2.9Å; I53-T55 PolarHBondContact O-N 2.88Å; I53-T56 PolarHBondContact O-N 2.91Å; I53-L57 VanDerWaalsContact O-CB 3.25Å; I53-L57 WeakPolarHBondContact O-CB 3.47Å; I53-L57 PolarHBondContact O-N 3.33Å
54Y96.1Very high94.7Very high164 Ų16485.6 Ų85.664%0.64344%0.435SS*.Hα-helixtrans-63.2-41.7-179.3-67.5-53.4000112.5S50 I51 L57 A58S50-Y54 WeakPolarHBondContact O-CD2 3.35Å; S50-Y54 PolarHBondContact O-N 2.87Å; S50-Y54 VanDerWaalsContact O-N 3.1Å; I51-Y54 PolarHBondContact O-N 3.34Å; Y54-L57 PolarHBondContact O-N 2.92Å; Y54-A58 VanDerWaalsContact O-CB 3.31Å; Y54-A58 WeakPolarHBondContact O-CB 3.37Å; Y54-A58 PolarHBondContact O-N 3.34Å
55T94.3Very high94.5Very high42 Ų4283.4 Ų83.426%0.25843%0.433SS..Hα-helixtrans-66.9-40176.753.50000111.9G39 I51 T52 I53 A58 G59G39-T55 WeakPolarHBondContact CA-OG1 3.45Å; I51-T55 HydrophobicContact CG2-CG2 4.32Å; I51-T55 WeakPolarHBondContact O-CG2 3.32Å; I51-T55 PolarHBondContact O-N 3.2Å; I51-T55 PolarHBondContact O-OG1 3.33Å; I51-T55 VanDerWaalsContact O-OG1 3.07Å; T52-T55 WeakPolarHBondContact CA-OG1 3.39Å; T52-T55 PolarHBondContact O-OG1 3.48Å; I53-T55 PolarHBondContact O-N 2.88Å; T55-A58 PolarHBondContact O-N 3.28Å; T55-G59 PolarHBondContact O-N 3.08Å
56T95.3Very high94.1Very high57 Ų5783.6 Ų83.635%0.3543%0.426SS..Hα-helixtrans-67.8-41178-56.50000110.8T52 I53 G59 F60T52-T56 VanDerWaalsContact O-CB 3.24Å; T52-T56 WeakPolarHBondContact O-CB 3.29Å; T52-T56 PolarHBondContact O-N 2.9Å; T52-T56 PolarHBondContact O-OG1 3.13Å; I53-T56 PolarHBondContact O-N 2.91Å; T56-G59 PolarHBondContact O-N 3.07Å; T56-F60 WeakPolarHBondContact O-CB 3.07Å; T56-F60 PolarHBondContact O-N 3.48Å
57L96.8Very high93.8Very high92 Ų9279.9 Ų79.948%0.48241%0.41SS..Hα-helixtrans-65.4-42.6176.4-176.763000111.5I53 Y54 G59 F60 L61I53-L57 VanDerWaalsContact O-CB 3.25Å; I53-L57 WeakPolarHBondContact O-CB 3.47Å; I53-L57 PolarHBondContact O-N 3.33Å; Y54-L57 PolarHBondContact O-N 2.92Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 2.91Å; L57-F60 HydrophobicContact CD1-CD1 4.48Å; L57-F60 WeakPolarHBondContact O-CB 3Å; L57-F60 PolarHBondContact O-N 3.48Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 3.25Å
58A96.8Very high93.3Very high49 Ų4977.5 Ų77.541%0.40540%0.403SS..Hα-helixtrans-60.5-44.5173.200000111.1Y54 T55 F60 L61 L62Y54-A58 VanDerWaalsContact O-CB 3.31Å; Y54-A58 WeakPolarHBondContact O-CB 3.37Å; Y54-A58 PolarHBondContact O-N 3.34Å; T55-A58 PolarHBondContact O-N 3.28Å; A58-F60 VanDerWaalsContact C-N 3.34Å; A58-F60 PolarHBondContact O-N 3.29Å; A58-L61 PolarHBondContact O-N 3.04Å; A58-L62 VanDerWaalsContact O-CG 3.32Å; A58-L62 WeakPolarHBondContact O-CG 2.92Å; A58-L62 PolarHBondContact O-N 3.27Å
59G96.3Very high92.8Very high6 Ų673.8 Ų73.86%0.06239%0.389CS..Hα-helixtrans-60.6-40.2174.400000113.3T55 T56 L57 L62 A63T55-G59 PolarHBondContact O-N 3.08Å; T56-G59 PolarHBondContact O-N 3.07Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 2.91Å; G59-L62 PolarHBondContact O-N 2.86Å; G59-A63 WeakPolarHBondContact O-CB 3.35Å; G59-A63 PolarHBondContact O-N 2.92Å
60F96.5Very high91.6Very high84 Ų8471.4 Ų71.437%0.36839%0.389SS..Hα-helixtrans-61.9-48.2174.6171.9-94.1000111.8Y28 L32 T56 L57 A58 L62 A63 C64Y28-F60 WeakPolarHBondContact OH-CD2 2.98Å; Y28-F60 WeakPolarHBondContact OH-CE2 3.3Å; L32-F60 HydrophobicContact CD2-CB 4.06Å; T56-F60 WeakPolarHBondContact O-CB 3.07Å; T56-F60 PolarHBondContact O-N 3.48Å; L57-F60 HydrophobicContact CD1-CD1 4.48Å; L57-F60 WeakPolarHBondContact O-CB 3Å; L57-F60 PolarHBondContact O-N 3.48Å; A58-F60 VanDerWaalsContact C-N 3.34Å; A58-F60 PolarHBondContact O-N 3.29Å; F60-L62 VanDerWaalsContact C-N 3.32Å; F60-L62 PolarHBondContact O-N 2.93Å; F60-A63 WeakPolarHBondContact O-CB 3.37Å; F60-A63 PolarHBondContact O-N 3.36Å; F60-A63 VanDerWaalsContact O-N 3.15Å; F60-C64 PolarHBondContact O-N 3.49Å; F60-C64 PolarHBondContact O-SG 2.81Å
61L96.7Very high90.4Very high101 Ų10174.5 Ų74.553%0.52939%0.391SS..Hα-helixtrans-61.9-41.2178.2-68.1175.1000111.8L57 A58 C64 M65L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 3.25Å; A58-L61 PolarHBondContact O-N 3.04Å; L61-C64 PolarHBondContact O-N 2.92Å; L61-M65 WeakPolarHBondContact O-CG 3.36Å; L61-M65 PolarHBondContact O-N 2.97Å
62L94.2Very high88.8Confident110 Ų11076.7 Ų76.758%0.57641%0.408SS*.Hα-helixtrans-62.6-43.2173.6-71172.5000111.7A58 G59 F60 M65 L66A58-L62 VanDerWaalsContact O-CG 3.32Å; A58-L62 WeakPolarHBondContact O-CG 2.92Å; A58-L62 PolarHBondContact O-N 3.27Å; G59-L62 PolarHBondContact O-N 2.86Å; F60-L62 VanDerWaalsContact C-N 3.32Å; F60-L62 PolarHBondContact O-N 2.93Å; L62-M65 PolarHBondContact O-N 2.7Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 WeakPolarHBondContact O-CG 3.46Å; L62-L66 PolarHBondContact O-N 2.86Å
63A94Very high87.2Confident1 Ų181 Ų811%0.00843%0.425CS..Hα-helixtrans-63.4-41.5176.800000111.7Y28 V31 G59 F60 L66 V67Y28-A63 HydrophobicContact CD2-CB 3.64Å; Y28-A63 HydrophobicContact CE2-CB 3.71Å; V31-A63 HydrophobicContact CB-CB 4.34Å; V31-A63 HydrophobicContact CG1-CB 3.89Å; G59-A63 WeakPolarHBondContact O-CB 3.35Å; G59-A63 PolarHBondContact O-N 2.92Å; F60-A63 WeakPolarHBondContact O-CB 3.37Å; F60-A63 PolarHBondContact O-N 3.36Å; F60-A63 VanDerWaalsContact O-N 3.15Å; A63-L66 PolarHBondContact O-N 3.47Å; A63-V67 WeakPolarHBondContact O-CB 3.5Å; A63-V67 WeakPolarHBondContact O-CG2 3.09Å; A63-V67 PolarHBondContact O-N 3.37Å
64C91.4Very high85.2Confident26 Ų2680 Ų8018%0.17642%0.42CS..Hα-helixtrans-60.3-46.8173.1-68.80000111.4F60 L61 L66 V67 L68F60-C64 PolarHBondContact O-N 3.49Å; F60-C64 PolarHBondContact O-SG 2.81Å; L61-C64 PolarHBondContact O-N 2.92Å; C64-L66 VanDerWaalsContact C-N 3.25Å; C64-L66 PolarHBondContact O-N 3.08Å; C64-V67 PolarHBondContact O-N 3.28Å; C64-L68 HydrophobicContact CB-CD1 3.95Å; C64-L68 HydrophobicContact CB-CG 4.5Å; C64-L68 WeakPolarHBondContact O-CB 3.28Å; C64-L68 VanDerWaalsContact O-CG 3.28Å; C64-L68 WeakPolarHBondContact O-CG 3.17Å; C64-L68 PolarHBondContact O-N 2.88Å
65M89.7Confident83.3Confident135 Ų13582 Ų8267%0.66543%0.427SS*.Hα-helixtrans-62.3-30.4175.4-74-104.491.500112.8L61 L62 P69L61-M65 WeakPolarHBondContact O-CG 3.36Å; L61-M65 PolarHBondContact O-N 2.97Å; L62-M65 PolarHBondContact O-N 2.7Å; M65-P69 WeakPolarHBondContact O-CD 3.48Å; M65-P69 WeakPolarHBondContact O-CG 3.42Å
66L87Confident81.5Confident94 Ų9487.8 Ų87.849%0.49244%0.444SS..Hα-helixtrans-84.8-23.1178.7-74.6171.5000113.9L62 A63 C64 W71L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 WeakPolarHBondContact O-CG 3.46Å; L62-L66 PolarHBondContact O-N 2.86Å; A63-L66 PolarHBondContact O-N 3.47Å; C64-L66 VanDerWaalsContact C-N 3.25Å; C64-L66 PolarHBondContact O-N 3.08Å; L66-W71 PolarHBondContact O-NE1 3.38Å
67V86.6Confident79.5Confident40 Ų4091.5 Ų91.524%0.24246%0.457CS..Hα-helixtrans-107.7-32.9-173.5175.90000112.7A24 Y28 A63 C64A24-V67 HydrophobicContact CB-CG1 3.87Å; Y28-V67 HydrophobicContact CD2-CG2 4.41Å; A63-V67 WeakPolarHBondContact O-CB 3.5Å; A63-V67 WeakPolarHBondContact O-CG2 3.09Å; A63-V67 PolarHBondContact O-N 3.37Å; C64-V67 PolarHBondContact O-N 3.28Å
68L83.9Confident77.2Confident137 Ų13792.7 Ų92.772%0.71747%0.47SS*.SBendtrans-74.1-41.7-177-68.5174.4000114.7C64C64-L68 HydrophobicContact CB-CD1 3.95Å; C64-L68 HydrophobicContact CB-CG 4.5Å; C64-L68 WeakPolarHBondContact O-CB 3.28Å; C64-L68 VanDerWaalsContact O-CG 3.28Å; C64-L68 WeakPolarHBondContact O-CG 3.17Å; C64-L68 PolarHBondContact O-N 2.88Å
69P78.9Confident75.2Confident41 Ų4193.9 Ų93.927%0.26647%0.472SS..SBendtrans-59.8139.4173.6-1627.8000108.2M65 W71M65-P69 WeakPolarHBondContact O-CD 3.48Å; M65-P69 WeakPolarHBondContact O-CG 3.42Å; P69-W71 HydrophobicContact CB-CD2 4.3Å; P69-W71 HydrophobicContact CB-CG 4.47Å; P69-W71 HydrophobicContact CB-CZ2 4.14Å; P69-W71 HydrophobicContact CG-CZ2 3.92Å; P69-W71 PolarHBondContact O-N 3.09Å
70P68.3Low72.9Confident108 Ų10896.9 Ų96.970%0.70150%0.496SS*.  trans-71.67117730.4-35.3000109.9
71W70.5Confident70.6Confident130 Ų13097.9 Ų97.949%0.49251%0.513SS..  trans-61.1134.1179-63.7104000109.1L66 P69 F73 L74L66-W71 PolarHBondContact O-NE1 3.38Å; P69-W71 HydrophobicContact CB-CD2 4.3Å; P69-W71 HydrophobicContact CB-CG 4.47Å; P69-W71 HydrophobicContact CB-CZ2 4.14Å; P69-W71 HydrophobicContact CG-CZ2 3.92Å; P69-W71 PolarHBondContact O-N 3.09Å; W71-F73 PolarHBondContact O-N 3.12Å; W71-L74 WeakPolarHBondContact O-CB 3.41Å; W71-L74 PolarHBondContact O-N 3.2Å
72P59.4Low68.2Low89 Ų8996.7 Ų96.758%0.57851%0.51SS*.G310 helixtrans-59.3-21.9-174.523.7-34.4000112.9L74 R75P72-L74 PolarHBondContact O-N 3.44Å; P72-R75 PolarHBondContact O-N 2.9Å; P72-R75 VanDerWaalsContact O-N 3.12Å
73F61.6Low66.5Low110 Ų11097.8 Ų97.848%0.48252%0.515SS..G310 helixtrans-57-28.2173.5-176.8-115.5000113.7K23 W71K23-F73 HydrophobicContact CD-CE1 3.98Å; K23-F73 HydrophobicContact CD-CZ 4.5Å; W71-F73 PolarHBondContact O-N 3.12Å
74L54.4Low64.6Low64 Ų64100.2 Ų100.234%0.33553%0.533SS..G310 helixtrans-76.7-24.6179.5-158.963000112.8G20 A24 W71 P72G20-L74 WeakPolarHBondContact O-CD1 3.44Å; A24-L74 HydrophobicContact CB-CD1 4.27Å; W71-L74 WeakPolarHBondContact O-CB 3.41Å; W71-L74 PolarHBondContact O-N 3.2Å; P72-L74 PolarHBondContact O-N 3.44Å
75R57.7Low63.1Low205 Ų205104.5 Ų104.577%0.77455%0.55SS**G310 helixtrans-103.212.8-174.2-60.2-144.6-70178-3.6114.7P72 H77P72-R75 PolarHBondContact O-N 2.9Å; P72-R75 VanDerWaalsContact O-N 3.12Å; R75-H77 VanDerWaalsContact C-N 3.31Å; R75-H77 PolarHBondContact O-N 3.4Å
76R54.9Low61.6Low165 Ų165102.1 Ų102.162%0.62354%0.538SS*.SBendtrans-74.7-16.2-174.3-80.6-168.8178.31382.5115.3P78R76-P78 WeakPolarHBondContact O-CD 3.18Å
77H54.1Low60.5Low135 Ų135104.1 Ų104.163%0.62555%0.545SS*.  trans-120.691175.1-59.8-67.6000108.1R75 V79R75-H77 VanDerWaalsContact C-N 3.31Å; R75-H77 PolarHBondContact O-N 3.4Å; H77-V79 HydrophobicContact CB-CG1 4.19Å; H77-V79 PolarHBondContact O-N 2.75Å
78P49.4Very low59.5Low117 Ų117106.5 Ų106.576%0.7656%0.56SS**  trans-60.687.3153.628.8-32.2000105.4R76 A80R76-P78 WeakPolarHBondContact O-CD 3.18Å; P78-A80 PolarHBondContact O-N 3.19Å
79V53.4Low58.6Low73 Ų73104.6 Ų104.644%0.44255%0.554SS.*  trans-65.2104.1161.6-32.30000101.7V19 H77 C81V19-V79 HydrophobicContact CG2-CG1 4.31Å; H77-V79 HydrophobicContact CB-CG1 4.19Å; H77-V79 PolarHBondContact O-N 2.75Å; V79-C81 PolarHBondContact O-N 3.35Å
80A48.4Very low57.9Low69 Ų69110 Ų11057%0.5757%0.57SS**  trans-45.3134.3161.300000105.2P78 T82P78-A80 PolarHBondContact O-N 3.19Å; A80-T82 PolarHBondContact O-N 2.99Å; A80-T82 PolarHBondContact O-OG1 3.46Å
81C47.8Very low58.1Low105 Ų105114.8 Ų114.871%0.70957%0.574SS**  trans-67.760-178.1-155.90000109.7V79 L83V79-C81 PolarHBondContact O-N 3.35Å; C81-L83 PolarHBondContact O-N 2.95Å
82T47Very low57.6Low77 Ų77112.7 Ų112.747%0.47258%0.578SS.*  trans-83.1106.7172.3-240000104.2A80 S84 Q85A80-T82 PolarHBondContact O-N 2.99Å; A80-T82 PolarHBondContact O-OG1 3.46Å; T82-S84 WeakPolarHBondContact CB-OG 3.5Å; T82-S84 VanDerWaalsContact CG2-OG 3.23Å; T82-S84 WeakPolarHBondContact CG2-OG 3.47Å; T82-S84 PolarHBondContact O-N 3.47Å; T82-Q85 PolarHBondContact O-N 2.8Å
83L57.6Low58.2Low132 Ų132115.4 Ų115.469%0.69158%0.58SS**Hα-helixtrans-44.3-26.4173.2-70.7165.2000112.2C81 Q85 M86 Q87C81-L83 PolarHBondContact O-N 2.95Å; L83-Q85 PolarHBondContact O-N 3.24Å; L83-M86 PolarHBondContact O-N 2.87Å; L83-Q87 WeakPolarHBondContact O-CG 3.1Å; L83-Q87 PolarHBondContact O-N 3.47Å
84S55.9Low58.8Low53 Ų53118.3 Ų118.337%0.37159%0.593SS.*Hα-helixtrans-57.7-41.6174.863.60000114.8T82 Q87 V88T82-S84 WeakPolarHBondContact CB-OG 3.5Å; T82-S84 VanDerWaalsContact CG2-OG 3.23Å; T82-S84 WeakPolarHBondContact CG2-OG 3.47Å; T82-S84 PolarHBondContact O-N 3.47Å; S84-Q87 PolarHBondContact O-N 3.35Å; S84-V88 WeakPolarHBondContact O-CG2 3.46Å; S84-V88 PolarHBondContact O-N 3.44Å; S84-V88 VanDerWaalsContact O-N 3.09Å
85Q59Low60.1Low116 Ų116126.1 Ų126.154%0.54262%0.618SS.*Hα-helixtrans-73.4-40-178.4-67.9-64.1-51.800111.3T82 L83 Q87 V88 V89T82-Q85 PolarHBondContact O-N 2.8Å; L83-Q85 PolarHBondContact O-N 3.24Å; Q85-Q87 VanDerWaalsContact C-N 3.29Å; Q85-Q87 PolarHBondContact O-N 3.11Å; Q85-V88 PolarHBondContact O-N 3.2Å; Q85-V89 WeakPolarHBondContact O-CG2 3.23Å; Q85-V89 PolarHBondContact O-N 3.47Å; Q85-V89 VanDerWaalsContact O-N 3.08Å
86M58.6Low60.6Low85 Ų85125.5 Ų125.542%0.41962%0.621SS.*Hα-helixtrans-58.2-44.7170.6-99.5-157.8-178.900110.5F18 L83 V88 V89 Y90F18-M86 HydrophobicContact CB-CE 4.37Å; F18-M86 HydrophobicContact CD2-CE 3.28Å; F18-M86 HydrophobicContact CE2-CE 3.75Å; F18-M86 HydrophobicContact CG-CE 4Å; L83-M86 PolarHBondContact O-N 2.87Å; M86-V88 VanDerWaalsContact C-N 3.34Å; M86-V88 PolarHBondContact O-N 3.46Å; M86-V89 PolarHBondContact O-N 3.13Å; M86-Y90 WeakPolarHBondContact O-CB 3.33Å; M86-Y90 WeakPolarHBondContact O-CD2 3.37Å; M86-Y90 PolarHBondContact O-N 3.09Å; M86-Y90 HydrophobicContact SD-CE2 4.43Å
87Q63.7Low61.1Low135 Ų135127.9 Ų127.963%0.63164%0.639SS**Hα-helixtrans-59.6-41.2178.4-76.2179.5-66.600112.6L83 S84 Q85 R91L83-Q87 WeakPolarHBondContact O-CG 3.1Å; L83-Q87 PolarHBondContact O-N 3.47Å; S84-Q87 PolarHBondContact O-N 3.35Å; Q85-Q87 VanDerWaalsContact C-N 3.29Å; Q85-Q87 PolarHBondContact O-N 3.11Å; Q87-R91 WeakPolarHBondContact O-CB 3.32Å; Q87-R91 PolarHBondContact O-N 3.16Å
88V64.1Low61.4Low91 Ų91127.6 Ų127.655%0.55264%0.64SS**Hα-helixtrans-68.2-45.4179.1175.40000111.6S84 Q85 M86 Y90 R91 C92S84-V88 WeakPolarHBondContact O-CG2 3.46Å; S84-V88 PolarHBondContact O-N 3.44Å; S84-V88 VanDerWaalsContact O-N 3.09Å; Q85-V88 PolarHBondContact O-N 3.2Å; M86-V88 VanDerWaalsContact C-N 3.34Å; M86-V88 PolarHBondContact O-N 3.46Å; V88-Y90 PolarHBondContact O-N 3.22Å; V88-R91 PolarHBondContact O-N 3.42Å; V88-C92 WeakPolarHBondContact O-CB 3.48Å; V88-C92 PolarHBondContact O-N 2.9Å
89V65.3Low62Low97 Ų97128.1 Ų128.159%0.58863%0.633SS**Hα-helixtrans-61.9-45.9178.1173.50000110.5Q85 M86 C92 K93Q85-V89 WeakPolarHBondContact O-CG2 3.23Å; Q85-V89 PolarHBondContact O-N 3.47Å; Q85-V89 VanDerWaalsContact O-N 3.08Å; M86-V89 PolarHBondContact O-N 3.13Å; V89-C92 PolarHBondContact O-N 3.05Å; V89-K93 WeakPolarHBondContact O-CB 3.34Å; V89-K93 PolarHBondContact O-N 3.24Å
90Y65.9Low62.5Low155 Ų155131.2 Ų131.261%0.60864%0.644SS**Hα-helixtrans-65-41.1176-90.4-84.7000112.4M86 V88 C92 K93 K94M86-Y90 WeakPolarHBondContact O-CB 3.33Å; M86-Y90 WeakPolarHBondContact O-CD2 3.37Å; M86-Y90 PolarHBondContact O-N 3.09Å; M86-Y90 HydrophobicContact SD-CE2 4.43Å; V88-Y90 PolarHBondContact O-N 3.22Å; Y90-C92 PolarHBondContact O-N 2.91Å; Y90-K93 PolarHBondContact O-N 2.61Å; Y90-K94 WeakPolarHBondContact O-CB 3.41Å; Y90-K94 PolarHBondContact O-N 3.23Å
91R72.4Confident63.4Low208 Ų208134.8 Ų134.879%0.78565%0.648SS**Hα-helixtrans-65.3-38.8179.5-167.8178.6-169.1-164.63.6111.8Q87 V88 R95Q87-R91 WeakPolarHBondContact O-CB 3.32Å; Q87-R91 PolarHBondContact O-N 3.16Å; V88-R91 PolarHBondContact O-N 3.42Å; R91-R95 PolarHBondContact O-N 3.1Å
92C60.3Low64.3Low85 Ų85136.7 Ų136.757%0.57465%0.645SS**Hα-helixtrans-70.7-35.1176.7-161.30000111.8V88 V89 Y90V88-C92 WeakPolarHBondContact O-CB 3.48Å; V88-C92 PolarHBondContact O-N 2.9Å; V89-C92 PolarHBondContact O-N 3.05Å; Y90-C92 PolarHBondContact O-N 2.91Å
93K71.6Confident65.5Low146 Ų146140.7 Ų140.764%0.63566%0.656SS**Hα-helixtrans-66.9-46.5176.2-142.6-176.1-172.5-167.10111.3V89 Y90 R95 K96V89-K93 WeakPolarHBondContact O-CB 3.34Å; V89-K93 PolarHBondContact O-N 3.24Å; Y90-K93 PolarHBondContact O-N 2.61Å; K93-R95 PolarHBondContact O-N 3.22Å; K93-R95 VanDerWaalsContact O-N 3.13Å; K93-K96 PolarHBondContact O-N 3.35Å; K93-K96 VanDerWaalsContact O-N 3.17Å
94K73.4Confident66.1Low171 Ų171141.3 Ų141.374%0.74365%0.654SS**THydrogen-bonded Turntrans-67.5-11.3-179.3-150-176.2-172.2-178.30114.6Y90Y90-K94 WeakPolarHBondContact O-CB 3.41Å; Y90-K94 PolarHBondContact O-N 3.23Å
95R81.1Confident66.8Low229 Ų229148.1 Ų148.186%0.86468%0.675SS**THydrogen-bonded Turntrans-88.2-10.4176.9-154.6-179.9-145.8-125.92.8113.2R91 K93R91-R95 PolarHBondContact O-N 3.1Å; K93-R95 PolarHBondContact O-N 3.22Å; K93-R95 VanDerWaalsContact O-N 3.13Å
96K68.4Low67.5Low192 Ų192150.8 Ų150.884%0.83569%0.686SS**THydrogen-bonded Turntrans-104.2-11.2-179.6-72.8-160.9177.4-169.40114K93K93-K96 PolarHBondContact O-N 3.35Å; K93-K96 VanDerWaalsContact O-N 3.17Å
97E65.2Low68.3Low215 Ų215156.7 Ų156.7100%1.00571%0.711SS**  trans-91.50163.2-78.3165.990.400108.9

Retrieved 97 of 97 residues in 211.4 ms (Link to these results)