A0A077ZEW5_TRITR Loading...

EF-hand 4 and Dynamin N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 590 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
1M34Very low38.1Very low244 Ų244149.5 Ų149.5100%1.20280%0.797SS**  0122.10-71-178.4-176.100106.2A3M1-A3 PolarHBondContact O-N 3.15Å; M1-A3 VanDerWaalsContact O-N 3.09Å
2G35.9Very low38.5Very low78 Ų78150.4 Ų150.480%0.80479%0.788SS**  trans-61.2112.8-175.300000110.6K4G2-K4 PolarHBondContact O-N 3.09Å; G2-K4 VanDerWaalsContact O-N 3.15Å
3A39.7Very low38.7Very low80 Ų80153.3 Ų153.366%0.66180%0.795SS**  trans-62115.7168.400000106.6M1 Q5M1-A3 PolarHBondContact O-N 3.15Å; M1-A3 VanDerWaalsContact O-N 3.09Å; A3-Q5 PolarHBondContact O-N 2.95Å; A3-Q5 VanDerWaalsContact O-N 3.09Å
4K37.7Very low39.7Very low197 Ų197152.4 Ų152.486%0.85779%0.785SS**  trans-57.9117.4176-71.1175.9176.81770106.7G2 A6G2-K4 PolarHBondContact O-N 3.09Å; G2-K4 VanDerWaalsContact O-N 3.15Å; K4-A6 PolarHBondContact O-N 3.15Å
5Q35.6Very low41.4Very low182 Ų182148.9 Ų148.985%0.8579%0.788SS**  trans-42.6120.8160.1-78.7174.5-22.200106.8A3 K7A3-Q5 PolarHBondContact O-N 2.95Å; A3-Q5 VanDerWaalsContact O-N 3.09Å; Q5-K7 VanDerWaalsContact C-N 3.33Å; Q5-K7 PolarHBondContact O-N 3.13Å
6A39.9Very low43.5Very low86 Ų86143.5 Ų143.571%0.71176%0.759SS**  trans-58.7102.4176.300000106.8K4K4-A6 PolarHBondContact O-N 3.15Å
7K34.6Very low45.4Very low190 Ų190137.6 Ų137.683%0.82673%0.731SS**PPolyproline II helixtrans-58.8133.3172.3-78.5-173.8173.4-172.30106.9Q5 L9Q5-K7 VanDerWaalsContact C-N 3.33Å; Q5-K7 PolarHBondContact O-N 3.13Å; K7-L9 PolarHBondContact O-N 2.95Å
8P38.3Very low47.2Very low92 Ų92139.5 Ų139.560%0.59774%0.735SS**PPolyproline II helixtrans-51.4132.2172.2-22.831.6000109.1E10P8-E10 PolarHBondContact O-N 3.17Å
9L42.8Very low49Very low152 Ų152134.1 Ų134.180%0.79671%0.707SS**PPolyproline II helixtrans-52.1129.2174.2-89.4100000108.8K7 R11K7-L9 PolarHBondContact O-N 2.95Å; L9-R11 PolarHBondContact O-N 3.09Å; L9-R11 VanDerWaalsContact O-N 3.12Å
10E36.8Very low50.7Low181 Ų181130.3 Ų130.385%0.84669%0.689SS**PPolyproline II helixtrans-51.7119.3177.3-73178.4166.400110.2P8 K12P8-E10 PolarHBondContact O-N 3.17Å; E10-K12 PolarHBondContact O-N 2.89Å
11R43.3Very low51.8Low163 Ų163127.4 Ų127.462%0.61568%0.678SS**  trans-62.193.8179.6-73-178.9173.1164.4-0.2110L9 E13 S380 D384L9-R11 PolarHBondContact O-N 3.09Å; L9-R11 VanDerWaalsContact O-N 3.12Å; R11-E13 PolarHBondContact O-N 3.06Å; R11-S380 PolarHBondContact NH2-OG 3.29Å; R11-D384 IonicContact NH2-OD2 2.73Å
12K43.2Very low54Low160 Ų160124.6 Ų124.670%0.69666%0.662SS**  trans-80.8102.7161.1-70.5-175.3179.9178.30107.2E10 H14E10-K12 PolarHBondContact O-N 2.89Å; K12-H14 PolarHBondContact O-N 3.01Å
13E41.5Very low56.3Low188 Ų188122 Ų12288%0.87963%0.632SS**  trans-63.969.8164.9-68.3178176.600109.1R11 A15R11-E13 PolarHBondContact O-N 3.06Å; E13-A15 PolarHBondContact O-N 3.06Å; E13-A15 VanDerWaalsContact O-N 3.17Å
14H52.3Low58.5Low140 Ų140118.3 Ų118.365%0.64860%0.601SS**  trans-64.5115159.5-70.3-65.9000105.3K12 L16K12-H14 PolarHBondContact O-N 3.01Å; H14-L16 PolarHBondContact O-N 2.88Å
15A65Low61Low101 Ų101110.1 Ų110.184%0.83557%0.567SS**  trans-45.9112.717100000107.7E13E13-A15 PolarHBondContact O-N 3.06Å; E13-A15 VanDerWaalsContact O-N 3.17Å
16L74.7Confident63.6Low62 Ų62107 Ų10733%0.32555%0.553SS.*PPolyproline II helixtrans-61.4138.3-175.9-69169000108.1H14 L30 Y31 A34H14-L16 PolarHBondContact O-N 2.88Å; L16-L30 HydrophobicContact CD2-CB 4.34Å; L16-Y31 HydrophobicContact CB-CD2 4.35Å; L16-Y31 HydrophobicContact CB-CE1 4.49Å; L16-Y31 HydrophobicContact CB-CE2 3.63Å; L16-Y31 HydrophobicContact CD1-CD1 3.91Å; L16-Y31 HydrophobicContact CD1-CD2 4.3Å; L16-Y31 HydrophobicContact CD1-CE1 3.57Å; L16-Y31 HydrophobicContact CD1-CE2 4.05Å; L16-Y31 HydrophobicContact CD1-CG 4.26Å; L16-Y31 HydrophobicContact CD2-CD2 4.12Å; L16-Y31 HydrophobicContact CD2-CE2 4.25Å; L16-Y31 HydrophobicContact CD2-CG 4.49Å; L16-Y31 HydrophobicContact CG-CD2 4.49Å; L16-Y31 HydrophobicContact CG-CE2 4.18Å; L16-A34 HydrophobicContact CD2-CB 4.27Å
17P76.7Confident66.1Low44 Ų44102.9 Ų102.929%0.28652%0.519SS..PPolyproline II helixtrans-65.3155.1-170.828.8-37.5000111.9L19 A27 L30P17-L19 PolarHBondContact O-N 2.78Å; P17-A27 HydrophobicContact CG-CB 3.92Å; P17-L30 HydrophobicContact CG-CD1 3.88Å
18E76.9Confident68.9Low171 Ų17194 Ų9480%0.79948%0.481SS*.PPolyproline II helixtrans-60.9135.4170.8-71.1-175.4174.800111T20 S23E18-T20 PolarHBondContact O-N 3.15Å; E18-S23 PolarHBondContact O-OG 2.8Å
19L82.4Confident71.6Confident37 Ų3792.3 Ų92.319%0.19446%0.462CS..  trans-80.5109.9-179.2-65.1171.5000109.6P17 A27 Y31 R395 F396 V399P17-L19 PolarHBondContact O-N 2.78Å; L19-A27 HydrophobicContact CD2-CB 3.67Å; L19-Y31 HydrophobicContact CD2-CE2 4.3Å; L19-R395 HydrophobicContact CD1-CB 3.63Å; L19-F396 HydrophobicContact CD2-CD1 3.88Å; L19-F396 HydrophobicContact CD2-CE1 3.33Å; L19-F396 HydrophobicContact CD2-CE2 4.37Å; L19-F396 HydrophobicContact CD2-CZ 3.6Å; L19-V399 HydrophobicContact CB-CG2 4.04Å
20T82.1Confident74.1Confident57 Ų5788.1 Ų88.135%0.3544%0.44SS..  trans-127.3159.1171.7710000109.2E18 Q22 S23 M24 V399E18-T20 PolarHBondContact O-N 3.15Å; T20-Q22 PolarHBondContact O-N 3.47Å; T20-S23 PolarHBondContact N-OG 2.92Å; T20-S23 PolarHBondContact O-N 3.32Å; T20-S23 VanDerWaalsContact O-N 3.16Å; T20-S23 PolarHBondContact O-OG 3.49Å; T20-S23 WeakPolarHBondContact OG1-CB 3.48Å; T20-S23 PolarHBondContact OG1-N 3.49Å; T20-S23 VanDerWaalsContact OG1-N 3.1Å; T20-S23 PolarHBondContact OG1-OG 2.82Å; T20-M24 PolarHBondContact O-N 2.88Å; T20-V399 WeakPolarHBondContact O-CG1 3.29Å
21P75.3Confident76.8Confident71 Ų7180.3 Ų80.346%0.46140%0.403SS..THydrogen-bonded Turntrans-57.7-34-179.5-25.834.4000112.9V399 P401P21-V399 HydrophobicContact CG-CG1 4.13Å; P21-V399 VanDerWaalsContact N-CG1 3.29Å; P21-P401 HydrophobicContact CB-CB 4.48Å
22Q78.6Confident79.3Confident185 Ų18572.6 Ų72.686%0.86437%0.374SS*.THydrogen-bonded Turntrans-78.3-36.9178.8-63.7178.62.700112.6T20 M24T20-Q22 PolarHBondContact O-N 3.47Å; Q22-M24 VanDerWaalsContact C-N 3.29Å
23S84.5Confident81.7Confident24 Ų2468.8 Ų68.817%0.16836%0.357CS..THydrogen-bonded Turntrans-80.2-9.9178.465.80000113.3E18 T20 E26 A27E18-S23 PolarHBondContact O-OG 2.8Å; T20-S23 PolarHBondContact N-OG 2.92Å; T20-S23 PolarHBondContact O-N 3.32Å; T20-S23 VanDerWaalsContact O-N 3.16Å; T20-S23 PolarHBondContact O-OG 3.49Å; T20-S23 WeakPolarHBondContact OG1-CB 3.48Å; T20-S23 PolarHBondContact OG1-N 3.49Å; T20-S23 VanDerWaalsContact OG1-N 3.1Å; T20-S23 PolarHBondContact OG1-OG 2.82Å; S23-E26 PolarHBondContact O-N 3.15Å; S23-E26 VanDerWaalsContact O-N 3.14Å; S23-A27 VanDerWaalsContact O-CB 3.31Å; S23-A27 WeakPolarHBondContact O-CB 3.49Å; S23-A27 PolarHBondContact O-N 3.19Å
24M87Confident84.2Confident2 Ų262.2 Ų62.21%0.0134%0.335CS..Hα-helixtrans-50.4-48-173.6178.9-179.4-179.600114.1T20 Q22 E26 A27 L28 H293 L297 F396 I400T20-M24 PolarHBondContact O-N 2.88Å; Q22-M24 VanDerWaalsContact C-N 3.29Å; M24-E26 PolarHBondContact O-N 3.15Å; M24-A27 PolarHBondContact O-N 2.96Å; M24-L28 VanDerWaalsContact O-CB 3.32Å; M24-L28 WeakPolarHBondContact O-CB 3.16Å; M24-L28 PolarHBondContact O-N 3.12Å; M24-H293 HydrophobicContact CE-CB 3.86Å; M24-H293 HydrophobicContact SD-CB 3.82Å; M24-L297 HydrophobicContact CE-CB 4.48Å; M24-F396 HydrophobicContact CE-CD1 4.37Å; M24-F396 HydrophobicContact CG-CD1 4.13Å; M24-F396 HydrophobicContact CG-CE1 4.43Å; M24-I400 HydrophobicContact CE-CD1 4.15Å; M24-I400 HydrophobicContact CE-CG1 3.87Å; M24-I400 HydrophobicContact SD-CG1 4.2Å
25P89.4Confident86.2Confident24 Ų2456.9 Ų56.916%0.15631%0.31CS..Hα-helixtrans-60.4-45.3179.1-25.837.6000113.3R29 F58 T59P25-R29 WeakPolarHBondContact O-CB 3.47Å; P25-R29 PolarHBondContact O-N 3.45Å; P25-F58 WeakPolarHBondContact CB-O 3.47Å; P25-T59 HydrophobicContact CB-CG2 4.5Å
26E90.8Very high87.7Confident117 Ų11752.1 Ų52.155%0.54727%0.27SS..Hα-helixtrans-72.6-37.6-179.3-64.6-172.9164.100112S23 M24 R29 L30 T59S23-E26 PolarHBondContact O-N 3.15Å; S23-E26 VanDerWaalsContact O-N 3.14Å; M24-E26 PolarHBondContact O-N 3.15Å; E26-R29 WeakPolarHBondContact O-CB 3.45Å; E26-R29 PolarHBondContact O-N 2.69Å; E26-L30 WeakPolarHBondContact O-CG 3.39Å; E26-L30 PolarHBondContact O-N 3.17Å; E26-L30 VanDerWaalsContact O-N 3.1Å; E26-T59 HydrophobicContact CG-CG2 4.38Å
27A92.1Very high88.6Confident0 Ų050.5 Ų50.50%026%0.262CS..Hα-helixtrans-63-51.7174.600000110.2P17 L19 S23 M24 R29 L30 Y31 F396P17-A27 HydrophobicContact CG-CB 3.92Å; L19-A27 HydrophobicContact CD2-CB 3.67Å; S23-A27 VanDerWaalsContact O-CB 3.31Å; S23-A27 WeakPolarHBondContact O-CB 3.49Å; S23-A27 PolarHBondContact O-N 3.19Å; M24-A27 PolarHBondContact O-N 2.96Å; A27-R29 PolarHBondContact O-N 2.97Å; A27-L30 PolarHBondContact O-N 3.34Å; A27-Y31 VanDerWaalsContact O-CD2 3.25Å; A27-Y31 WeakPolarHBondContact O-CD2 3.47Å; A27-Y31 PolarHBondContact O-N 3.34Å; A27-F396 HydrophobicContact CB-CE1 4.15Å; A27-F396 HydrophobicContact CB-CZ 4.37Å
28L94.1Very high89.4Confident4 Ų451.1 Ų51.12%0.02127%0.266CS..Hα-helixtrans-55.9-41.9179.4-176.760.7000111.8M24 L30 Y31 Y32 F58 R296 L297 V300 F388 F396M24-L28 VanDerWaalsContact O-CB 3.32Å; M24-L28 WeakPolarHBondContact O-CB 3.16Å; M24-L28 PolarHBondContact O-N 3.12Å; L28-L30 PolarHBondContact O-N 3.48Å; L28-Y31 PolarHBondContact O-N 3.14Å; L28-Y32 WeakPolarHBondContact O-CB 3.36Å; L28-Y32 PolarHBondContact O-N 3.46Å; L28-F58 HydrophobicContact CB-CD1 4.47Å; L28-F58 HydrophobicContact CD2-CD1 4.35Å; L28-F58 HydrophobicContact CD2-CE1 4.48Å; L28-F58 HydrophobicContact CG-CD1 4.17Å; L28-F58 HydrophobicContact CG-CE1 4.12Å; L28-R296 HydrophobicContact CD2-CB 4Å; L28-L297 HydrophobicContact CD1-CD1 3.95Å; L28-V300 HydrophobicContact CD1-CB 4.3Å; L28-V300 HydrophobicContact CD1-CG1 4.22Å; L28-V300 HydrophobicContact CD1-CG2 4.28Å; L28-V300 HydrophobicContact CD2-CG2 4.22Å; L28-V300 HydrophobicContact CG-CG2 4.24Å; L28-F388 HydrophobicContact CD1-CE2 4.5Å; L28-F388 HydrophobicContact CD1-CZ 4.3Å; L28-F396 HydrophobicContact CB-CE1 3.94Å; L28-F396 HydrophobicContact CB-CZ 4.09Å; L28-F396 HydrophobicContact CD1-CD2 4.44Å; L28-F396 HydrophobicContact CD1-CE1 4.34Å; L28-F396 HydrophobicContact CD1-CE2 4.07Å; L28-F396 HydrophobicContact CD1-CZ 4.03Å
29R94.2Very high90.1Very high55 Ų5543.1 Ų43.121%0.20823%0.229CC..Hα-helixtrans-58-45.5174-174.2-176.870.5783.6112.7P25 E26 A27 K33 D55 F58P25-R29 WeakPolarHBondContact O-CB 3.47Å; P25-R29 PolarHBondContact O-N 3.45Å; E26-R29 WeakPolarHBondContact O-CB 3.45Å; E26-R29 PolarHBondContact O-N 2.69Å; A27-R29 PolarHBondContact O-N 2.97Å; R29-K33 WeakPolarHBondContact O-CB 3.4Å; R29-K33 WeakPolarHBondContact O-CG 3.3Å; R29-K33 PolarHBondContact O-N 3.49Å; R29-D55 WeakPolarHBondContact CD-OD1 3.27Å; R29-D55 WeakPolarHBondContact CG-OD1 3.44Å; R29-D55 IonicContact CZ-OD1 2.82Å; R29-D55 IonicContact NE-OD1 3.71Å; R29-D55 IonicContact NH1-OD1 3.8Å; R29-D55 PolarHBondContact NH1-OD1 3.48Å; R29-F58 HydrophobicContact CB-CB 3.84Å; R29-F58 HydrophobicContact CB-CD1 3.92Å; R29-F58 HydrophobicContact CB-CD2 3.91Å; R29-F58 HydrophobicContact CB-CE1 4.48Å; R29-F58 HydrophobicContact CB-CE2 4.47Å; R29-F58 HydrophobicContact CB-CG 3.61Å; R29-F58 HydrophobicContact CG-CB 4.19Å; R29-F58 HydrophobicContact CG-CD2 3.65Å; R29-F58 HydrophobicContact CG-CE2 4.17Å; R29-F58 HydrophobicContact CG-CG 3.89Å
30L94.2Very high90.5Very high65 Ų6541.5 Ų41.534%0.3422%0.22SC..Hα-helixtrans-69.5-40.9179.6-70.5172.9000112.1L16 P17 E26 A27 L28 K33 A34L16-L30 HydrophobicContact CD2-CB 4.34Å; P17-L30 HydrophobicContact CG-CD1 3.88Å; E26-L30 WeakPolarHBondContact O-CG 3.39Å; E26-L30 PolarHBondContact O-N 3.17Å; E26-L30 VanDerWaalsContact O-N 3.1Å; A27-L30 PolarHBondContact O-N 3.34Å; L28-L30 PolarHBondContact O-N 3.48Å; L30-K33 PolarHBondContact O-N 3Å; L30-A34 WeakPolarHBondContact O-CB 3.43Å; L30-A34 PolarHBondContact O-N 3.1Å
31Y94.5Very high90.9Very high17 Ų1743 Ų437%0.06723%0.225CC..Hα-helixtrans-63.9-44.3175.2-86-103.3000111.6L16 L19 A27 L28 K33 A34 K35 D392 F396L16-Y31 HydrophobicContact CB-CD2 4.35Å; L16-Y31 HydrophobicContact CB-CE1 4.49Å; L16-Y31 HydrophobicContact CB-CE2 3.63Å; L16-Y31 HydrophobicContact CD1-CD1 3.91Å; L16-Y31 HydrophobicContact CD1-CD2 4.3Å; L16-Y31 HydrophobicContact CD1-CE1 3.57Å; L16-Y31 HydrophobicContact CD1-CE2 4.05Å; L16-Y31 HydrophobicContact CD1-CG 4.26Å; L16-Y31 HydrophobicContact CD2-CD2 4.12Å; L16-Y31 HydrophobicContact CD2-CE2 4.25Å; L16-Y31 HydrophobicContact CD2-CG 4.49Å; L16-Y31 HydrophobicContact CG-CD2 4.49Å; L16-Y31 HydrophobicContact CG-CE2 4.18Å; L19-Y31 HydrophobicContact CD2-CE2 4.3Å; A27-Y31 VanDerWaalsContact O-CD2 3.25Å; A27-Y31 WeakPolarHBondContact O-CD2 3.47Å; A27-Y31 PolarHBondContact O-N 3.34Å; L28-Y31 PolarHBondContact O-N 3.14Å; Y31-K33 PolarHBondContact O-N 2.8Å; Y31-A34 PolarHBondContact O-N 2.64Å; Y31-K35 PolarHBondContact O-N 2.63Å; Y31-D392 HydrophobicContact CD1-CB 4.02Å; Y31-D392 WeakPolarHBondContact CD1-OD2 3.28Å; Y31-D392 HydrophobicContact CE1-CB 4.04Å; Y31-D392 WeakPolarHBondContact CE1-OD1 3.35Å; Y31-D392 WeakPolarHBondContact CE1-OD2 3.39Å; Y31-F396 HydrophobicContact CD1-CE2 4.3Å; Y31-F396 HydrophobicContact CD2-CE2 4.4Å; Y31-F396 AromaticContact CD2-CZ 3.96Å; Y31-F396 HydrophobicContact CD2-CZ 3.96Å; Y31-F396 HydrophobicContact CE2-CZ 4.43Å; Y31-F396 HydrophobicContact CG-CE2 4.09Å; Y31-F396 HydrophobicContact CG-CZ 4.06Å
32Y95.7Very high91.4Very high1 Ų142.5 Ų42.50%0.00422%0.219CC..Iπ-helixtrans-56.3-49.7173.4168.6-109.2000111.2L28 A34 V36 L37 E40 L53 F58 V300 R303L28-Y32 WeakPolarHBondContact O-CB 3.36Å; L28-Y32 PolarHBondContact O-N 3.46Å; Y32-A34 VanDerWaalsContact C-N 3.3Å; Y32-A34 PolarHBondContact O-N 3.42Å; Y32-V36 HydrophobicContact CD2-CB 3.66Å; Y32-V36 HydrophobicContact CD2-CG1 3.85Å; Y32-V36 HydrophobicContact CD2-CG2 4.4Å; Y32-V36 HydrophobicContact CE2-CB 4.08Å; Y32-V36 HydrophobicContact CE2-CG1 3.85Å; Y32-V36 PolarHBondContact O-N 3.18Å; Y32-L37 HydrophobicContact CD1-CB 4.4Å; Y32-L37 HydrophobicContact CE1-CB 4.06Å; Y32-L37 HydrophobicContact CE1-CD1 4.16Å; Y32-L37 HydrophobicContact CE1-CD2 4.44Å; Y32-L37 HydrophobicContact CE1-CG 4.46Å; Y32-L37 HydrophobicContact CE2-CB 4.4Å; Y32-L37 WeakPolarHBondContact O-CB 3.48Å; Y32-L37 PolarHBondContact O-N 3.01Å; Y32-E40 PolarHBondContact OH-OE2 3.39Å; Y32-L53 HydrophobicContact CE1-CB 3.89Å; Y32-L53 HydrophobicContact CE2-CD1 4.45Å; Y32-L53 PolarHBondContact OH-N 3.23Å; Y32-L53 VanDerWaalsContact OH-N 3.13Å; Y32-F58 HydrophobicContact CD1-CE1 4.47Å; Y32-F58 AromaticContact CD1-CE2 3.9Å; Y32-F58 HydrophobicContact CD1-CE2 3.9Å; Y32-F58 AromaticContact CD1-CZ 3.43Å; Y32-F58 HydrophobicContact CD1-CZ 3.43Å; Y32-F58 VanDerWaalsContact CD1-CZ 3.43Å; Y32-F58 HydrophobicContact CE1-CE2 4.31Å; Y32-F58 HydrophobicContact CE1-CZ 4.06Å; Y32-F58 HydrophobicContact CG-CE1 4.42Å; Y32-F58 AromaticContact CG-CZ 3.73Å; Y32-F58 HydrophobicContact CG-CZ 3.73Å; Y32-V300 HydrophobicContact CD2-CG1 4Å; Y32-R303 PolarHBondContact OH-NH1 2.77Å
33K94.7Very high91.6Very high80 Ų8034 Ų3435%0.34818%0.179SC..Iπ-helixtrans-62.6-34.2178.8-80.2-173.9162.2-177.10114R29 L30 Y31 L37 P38 D55R29-K33 WeakPolarHBondContact O-CB 3.4Å; R29-K33 WeakPolarHBondContact O-CG 3.3Å; R29-K33 PolarHBondContact O-N 3.49Å; L30-K33 PolarHBondContact O-N 3Å; Y31-K33 PolarHBondContact O-N 2.8Å; K33-L37 HydrophobicContact CG-CD2 3.98Å; K33-P38 WeakPolarHBondContact O-CD 3.34Å; K33-D55 WeakPolarHBondContact CE-OD1 3.32Å; K33-D55 IonicContact NZ-OD1 2.64Å; K33-D55 PolarHBondContact NZ-OD1 3.09Å; K33-D55 IonicContact NZ-OD2 3.98Å; K33-D55 PolarHBondContact NZ-OD2 3.16Å
34A93.6Very high91.3Very high49 Ų4934.9 Ų34.941%0.40519%0.185SC..Iπ-helixtrans-80.2-44.5-177.800000112.6L16 L30 Y31 Y32L16-A34 HydrophobicContact CD2-CB 4.27Å; L30-A34 WeakPolarHBondContact O-CB 3.43Å; L30-A34 PolarHBondContact O-N 3.1Å; Y31-A34 PolarHBondContact O-N 2.64Å; Y32-A34 VanDerWaalsContact C-N 3.3Å; Y32-A34 PolarHBondContact O-N 3.42Å
35K94.4Very high90.8Very high29 Ų2935.4 Ų35.413%0.12619%0.187CC..Iπ-helixtrans-109.6-27.7-166.9-64.4-171.1170.9-166.50115.2Y31 D384 F388 D392Y31-K35 PolarHBondContact O-N 2.63Å; K35-D384 HydrophobicContact CB-CB 4.26Å; K35-D384 HydrophobicContact CG-CB 4.33Å; K35-F388 HydrophobicContact CB-CB 4.29Å; K35-F388 HydrophobicContact CD-CB 4.07Å; K35-D392 WeakPolarHBondContact CD-OD2 2.98Å; K35-D392 WeakPolarHBondContact CE-OD2 3.49Å; K35-D392 IonicContact NZ-OD1 2.88Å; K35-D392 IonicContact NZ-OD2 3.08Å; K35-D392 PolarHBondContact NZ-OD2 3.45Å
36V95Very high90.2Very high0 Ų038.2 Ų38.20%020%0.201CC..Iπ-helixtrans-108.5-52.9-170.9-176.30000111.7Y32 T39 E40 V300 A304 L385 F388Y32-V36 HydrophobicContact CD2-CB 3.66Å; Y32-V36 HydrophobicContact CD2-CG1 3.85Å; Y32-V36 HydrophobicContact CD2-CG2 4.4Å; Y32-V36 HydrophobicContact CE2-CB 4.08Å; Y32-V36 HydrophobicContact CE2-CG1 3.85Å; Y32-V36 PolarHBondContact O-N 3.18Å; V36-T39 PolarHBondContact O-N 2.91Å; V36-T39 VanDerWaalsContact O-N 3.14Å; V36-E40 HydrophobicContact CG1-CG 4.21Å; V36-E40 PolarHBondContact O-N 2.77Å; V36-E40 VanDerWaalsContact O-N 3.11Å; V36-V300 HydrophobicContact CG2-CG1 4.5Å; V36-A304 HydrophobicContact CG1-CB 4.14Å; V36-A304 HydrophobicContact CG2-CB 3.87Å; V36-L385 HydrophobicContact CB-CD2 4.31Å; V36-L385 HydrophobicContact CG1-CD2 4.28Å; V36-L385 HydrophobicContact CG2-CD2 4.16Å; V36-F388 HydrophobicContact CG2-CD1 3.95Å; V36-F388 HydrophobicContact CG2-CD2 4.42Å; V36-F388 HydrophobicContact CG2-CE1 4.22Å; V36-F388 HydrophobicContact CG2-CG 4.06Å
37L94.6Very high89.2Confident29 Ų2936.6 Ų36.615%0.15220%0.199CC..Hα-helixtrans-54.4-40.5-177179.764000114.2Y32 K33 T39 E40 L41 P52Y32-L37 HydrophobicContact CD1-CB 4.4Å; Y32-L37 HydrophobicContact CE1-CB 4.06Å; Y32-L37 HydrophobicContact CE1-CD1 4.16Å; Y32-L37 HydrophobicContact CE1-CD2 4.44Å; Y32-L37 HydrophobicContact CE1-CG 4.46Å; Y32-L37 HydrophobicContact CE2-CB 4.4Å; Y32-L37 WeakPolarHBondContact O-CB 3.48Å; Y32-L37 PolarHBondContact O-N 3.01Å; K33-L37 HydrophobicContact CG-CD2 3.98Å; L37-T39 VanDerWaalsContact C-N 3.28Å; L37-T39 PolarHBondContact O-N 3.37Å; L37-E40 PolarHBondContact O-N 3.24Å; L37-L41 HydrophobicContact CD1-CD1 4.04Å; L37-L41 HydrophobicContact CD1-CD2 4.27Å; L37-L41 HydrophobicContact CD1-CG 3.86Å; L37-L41 HydrophobicContact CG-CD1 3.95Å; L37-L41 HydrophobicContact CG-CG 4.21Å; L37-L41 WeakPolarHBondContact O-CG 3.22Å; L37-L41 PolarHBondContact O-N 2.85Å; L37-P52 HydrophobicContact CD1-CB 3.74Å; L37-P52 HydrophobicContact CD1-CG 4.23Å
38P93.5Very high88Confident57 Ų5740.1 Ų40.137%0.3721%0.214SC..Hα-helixtrans-58.4-42178.9-25.136.3000112.3K33 L42K33-P38 WeakPolarHBondContact O-CD 3.34Å; P38-L42 VanDerWaalsContact O-CG 3.28Å; P38-L42 WeakPolarHBondContact O-CG 3.28Å; P38-L42 PolarHBondContact O-N 2.94Å; P38-L42 VanDerWaalsContact O-N 3.09Å
39T91.6Very high87.1Confident2 Ų242.1 Ų42.11%0.01223%0.228CC..Hα-helixtrans-72.7-38.7179.6-49.30000111.6V36 L37 L41 L42 L43 A307 A311 I377 L385V36-T39 PolarHBondContact O-N 2.91Å; V36-T39 VanDerWaalsContact O-N 3.14Å; L37-T39 VanDerWaalsContact C-N 3.28Å; L37-T39 PolarHBondContact O-N 3.37Å; T39-L41 VanDerWaalsContact C-N 3.34Å; T39-L41 PolarHBondContact O-N 3.28Å; T39-L42 PolarHBondContact O-N 3.47Å; T39-L43 HydrophobicContact CG2-CD1 3.85Å; T39-L43 HydrophobicContact CG2-CG 4.5Å; T39-L43 WeakPolarHBondContact O-CB 3.47Å; T39-L43 WeakPolarHBondContact O-CG 3.46Å; T39-L43 PolarHBondContact O-N 3.43Å; T39-A307 HydrophobicContact CG2-CB 4.44Å; T39-A311 HydrophobicContact CG2-CB 4.36Å; T39-I377 HydrophobicContact CG2-CD1 4.03Å; T39-I377 HydrophobicContact CG2-CG2 4.44Å; T39-L385 HydrophobicContact CG2-CD1 3.7Å
40E90.8Very high86.4Confident3 Ų340.6 Ų40.61%0.01423%0.226CC..Hα-helixtrans-58.5-44.6173.4-73-174.1167.800112.3Y32 V36 L37 L43 S44 Y45 R303 A307Y32-E40 PolarHBondContact OH-OE2 3.39Å; V36-E40 HydrophobicContact CG1-CG 4.21Å; V36-E40 PolarHBondContact O-N 2.77Å; V36-E40 VanDerWaalsContact O-N 3.11Å; L37-E40 PolarHBondContact O-N 3.24Å; E40-L43 PolarHBondContact O-N 3.44Å; E40-S44 PolarHBondContact O-N 3.34Å; E40-S44 VanDerWaalsContact O-N 3.09Å; E40-Y45 HydrophobicContact CB-CG 4.41Å; E40-Y45 HydrophobicContact CG-CD1 4.2Å; E40-Y45 HydrophobicContact CG-CG 4.13Å; E40-Y45 WeakPolarHBondContact O-CB 3.23Å; E40-Y45 PolarHBondContact O-N 3.33Å; E40-R303 VanDerWaalsContact OE1-CB 3.29Å; E40-R303 WeakPolarHBondContact OE1-CB 3.41Å; E40-R303 WeakPolarHBondContact OE1-CD 3.5Å; E40-R303 WeakPolarHBondContact OE1-CG 3.39Å; E40-R303 IonicContact OE1-CZ 2.68Å; E40-R303 IonicContact OE1-NH1 2.94Å; E40-R303 PolarHBondContact OE1-NH1 3.31Å; E40-R303 IonicContact OE2-NH1 3.78Å; E40-R303 PolarHBondContact OE2-NH1 3.27Å; E40-A307 HydrophobicContact CG-CB 4.34Å
41L89.4Confident86Confident88 Ų8839 Ų3946%0.46122%0.219SC..Hα-helixtrans-68-40.3179.8-69.3175.7000112L37 T39 L43 S44 P52L37-L41 HydrophobicContact CD1-CD1 4.04Å; L37-L41 HydrophobicContact CD1-CD2 4.27Å; L37-L41 HydrophobicContact CD1-CG 3.86Å; L37-L41 HydrophobicContact CG-CD1 3.95Å; L37-L41 HydrophobicContact CG-CG 4.21Å; L37-L41 WeakPolarHBondContact O-CG 3.22Å; L37-L41 PolarHBondContact O-N 2.85Å; T39-L41 VanDerWaalsContact C-N 3.34Å; T39-L41 PolarHBondContact O-N 3.28Å; L41-L43 VanDerWaalsContact C-N 3.35Å; L41-S44 PolarHBondContact O-N 2.86Å; L41-P52 HydrophobicContact CD2-CG 4.02Å
42L86.5Confident85.8Confident62 Ų6240.1 Ų40.133%0.32523%0.229SC..Hα-helixtrans-61.2-45.9174.8-73.2169.8000110.7P38 T39 S44 P375P38-L42 VanDerWaalsContact O-CG 3.28Å; P38-L42 WeakPolarHBondContact O-CG 3.28Å; P38-L42 PolarHBondContact O-N 2.94Å; P38-L42 VanDerWaalsContact O-N 3.09Å; T39-L42 PolarHBondContact O-N 3.47Å; L42-S44 VanDerWaalsContact C-N 3.26Å; L42-S44 PolarHBondContact O-N 3.37Å; L42-P375 VanDerWaalsContact O-CG 3.23Å; L42-P375 WeakPolarHBondContact O-CG 3.41Å
43L82.5Confident85.6Confident5 Ų540.8 Ų40.83%0.02623%0.232CC..Hα-helixtrans-75.3-7.6-178.8-74.7168.1000114.8T39 E40 L41 Y45 A307 F310 A311 L374 I377T39-L43 HydrophobicContact CG2-CD1 3.85Å; T39-L43 HydrophobicContact CG2-CG 4.5Å; T39-L43 WeakPolarHBondContact O-CB 3.47Å; T39-L43 WeakPolarHBondContact O-CG 3.46Å; T39-L43 PolarHBondContact O-N 3.43Å; E40-L43 PolarHBondContact O-N 3.44Å; L41-L43 VanDerWaalsContact C-N 3.35Å; L43-Y45 VanDerWaalsContact C-N 3.3Å; L43-Y45 PolarHBondContact O-N 3.02Å; L43-A307 WeakPolarHBondContact CD1-O 3.25Å; L43-F310 HydrophobicContact CD1-CB 3.66Å; L43-F310 HydrophobicContact CD2-CB 4.16Å; L43-F310 HydrophobicContact CG-CB 4.49Å; L43-A311 HydrophobicContact CD1-CB 4.47Å; L43-L374 HydrophobicContact CD2-CD2 4.05Å; L43-I377 HydrophobicContact CD1-CD1 3.88Å; L43-I377 HydrophobicContact CD2-CD1 3.52Å; L43-I377 HydrophobicContact CG-CD1 3.53Å
44S78.9Confident85.5Confident43 Ų4339.2 Ų39.230%0.30123%0.228SC..THydrogen-bonded Turntrans53.148.6-169.2-51.40000111.7E40 L41 L42 D46 V47E40-S44 PolarHBondContact O-N 3.34Å; E40-S44 VanDerWaalsContact O-N 3.09Å; L41-S44 PolarHBondContact O-N 2.86Å; L42-S44 VanDerWaalsContact C-N 3.26Å; L42-S44 PolarHBondContact O-N 3.37Å; S44-D46 WeakPolarHBondContact CA-OD1 3.49Å; S44-D46 PolarHBondContact O-N 3.08Å; S44-D46 VanDerWaalsContact O-N 3.11Å; S44-V47 WeakPolarHBondContact O-CB 3.33Å; S44-V47 WeakPolarHBondContact O-CG2 3.47Å; S44-V47 PolarHBondContact O-N 3.24Å
45Y75.6Confident85.4Confident13 Ų1339.9 Ų39.95%0.05123%0.225CC..G310 helixtrans-53.6-31.1-176-179-106.3000113.8E40 L43 V47 F48 C49 R303 H306E40-Y45 HydrophobicContact CB-CG 4.41Å; E40-Y45 HydrophobicContact CG-CD1 4.2Å; E40-Y45 HydrophobicContact CG-CG 4.13Å; E40-Y45 WeakPolarHBondContact O-CB 3.23Å; E40-Y45 PolarHBondContact O-N 3.33Å; L43-Y45 VanDerWaalsContact C-N 3.3Å; L43-Y45 PolarHBondContact O-N 3.02Å; Y45-V47 PolarHBondContact O-N 3.3Å; Y45-F48 PolarHBondContact O-N 3.31Å; Y45-F48 VanDerWaalsContact O-N 3.16Å; Y45-C49 HydrophobicContact CD1-CB 4.06Å; Y45-C49 HydrophobicContact CD2-CB 4.34Å; Y45-C49 HydrophobicContact CE1-CB 3.4Å; Y45-C49 VanDerWaalsContact CE1-CB 3.4Å; Y45-C49 HydrophobicContact CE2-CB 3.7Å; Y45-C49 PolarHBondContact O-N 3.36Å; Y45-C49 VanDerWaalsContact OH-CB 3.26Å; Y45-C49 WeakPolarHBondContact OH-CB 3.47Å; Y45-C49 PolarHBondContact OH-SG 3.38Å; Y45-R303 HydrophobicContact CE1-CG 3.99Å; Y45-H306 HydrophobicContact CE2-CB 3.73Å; Y45-H306 PolarHBondContact OH-ND1 3.27Å
46D76.7Confident85.3Confident83 Ų8338.7 Ų38.744%0.44422%0.22SC..G310 helixtrans-63-18.9178.763-52.3000114.5S44 F48S44-D46 WeakPolarHBondContact CA-OD1 3.49Å; S44-D46 PolarHBondContact O-N 3.08Å; S44-D46 VanDerWaalsContact O-N 3.11Å; D46-F48 VanDerWaalsContact C-N 3.34Å
47V71.3Confident85.2Confident84 Ų8439.9 Ų39.951%0.50923%0.226SC..G310 helixtrans-73.3-27.1176.6179.30000111.9S44 Y45S44-V47 WeakPolarHBondContact O-CB 3.33Å; S44-V47 WeakPolarHBondContact O-CG2 3.47Å; S44-V47 PolarHBondContact O-N 3.24Å; Y45-V47 PolarHBondContact O-N 3.3Å
48F65.9Low85.1Confident73 Ų7338.7 Ų38.732%0.3222%0.219SC..THydrogen-bonded Turntrans-108.9-44.8-176.2162-111.8000113.3Y45 D46 F310 A361Y45-F48 PolarHBondContact O-N 3.31Å; Y45-F48 VanDerWaalsContact O-N 3.16Å; D46-F48 VanDerWaalsContact C-N 3.34Å; F48-F310 AromaticContact CD1-CE2 3.63Å; F48-F310 HydrophobicContact CD1-CE2 3.63Å; F48-F310 AromaticContact CD1-CZ 3.49Å; F48-F310 HydrophobicContact CD1-CZ 3.49Å; F48-F310 VanDerWaalsContact CD1-CZ 3.49Å; F48-F310 AromaticContact CE1-CE2 3.68Å; F48-F310 HydrophobicContact CE1-CE2 3.68Å; F48-F310 AromaticContact CE1-CZ 3.61Å; F48-F310 HydrophobicContact CE1-CZ 3.61Å; F48-F310 HydrophobicContact CG-CZ 4.11Å; F48-F310 HydrophobicContact CZ-CZ 4.34Å; F48-A361 HydrophobicContact CD2-CB 3.51Å; F48-A361 HydrophobicContact CE2-CB 3.3Å; F48-A361 HydrophobicContact CZ-CB 4.22Å
49C75Confident84.9Confident46 Ų4639.6 Ų39.631%0.31122%0.223SC..SBendtrans-106.3-129.3-177.2-80.90000109.8Y45Y45-C49 HydrophobicContact CD1-CB 4.06Å; Y45-C49 HydrophobicContact CD2-CB 4.34Å; Y45-C49 HydrophobicContact CE1-CB 3.4Å; Y45-C49 VanDerWaalsContact CE1-CB 3.4Å; Y45-C49 HydrophobicContact CE2-CB 3.7Å; Y45-C49 PolarHBondContact O-N 3.36Å; Y45-C49 VanDerWaalsContact OH-CB 3.26Å; Y45-C49 WeakPolarHBondContact OH-CB 3.47Å; Y45-C49 PolarHBondContact OH-SG 3.38Å
50S80.2Confident84.9Confident24 Ų2441 Ų4117%0.16823%0.234CC..  trans-104.6151.7-179.6440000110.6E183 R303S50-E183 WeakPolarHBondContact CB-OE1 3.4Å; S50-R303 PolarHBondContact O-NH2 2.99Å; S50-R303 VanDerWaalsContact O-NH2 3.16Å; S50-R303 PolarHBondContact OG-NH2 2.99Å
51P86.2Confident85Confident30 Ų3042.3 Ų42.320%0.19524%0.242CC..PPolyproline II helixtrans-58.6156.9175.527.3-36.2000111.4R303P51-R303 PolarHBondContact O-NH2 3.09Å
52P90.2Very high85.2Confident41 Ų4138.4 Ų38.427%0.26622%0.222SC..PPolyproline II helixtrans-50.2143.9178.5-28.135.7000113.2L37 L41 L54L37-P52 HydrophobicContact CD1-CB 3.74Å; L37-P52 HydrophobicContact CD1-CG 4.23Å; L41-P52 HydrophobicContact CD2-CG 4.02Å; P52-L54 PolarHBondContact O-N 2.85Å
53L92Very high85.7Confident15 Ų1535.5 Ų35.58%0.07921%0.208CC..PPolyproline II helixtrans-66.2133.4-179.4-61.4176.8000110.6Y32 E57 F58 E299 V300Y32-L53 HydrophobicContact CE1-CB 3.89Å; Y32-L53 HydrophobicContact CE2-CD1 4.45Å; Y32-L53 PolarHBondContact OH-N 3.23Å; Y32-L53 VanDerWaalsContact OH-N 3.13Å; L53-E57 WeakPolarHBondContact CD2-OE2 3.34Å; L53-F58 HydrophobicContact CB-CE2 3.6Å; L53-F58 HydrophobicContact CB-CZ 3.74Å; L53-F58 HydrophobicContact CD1-CE1 4.19Å; L53-F58 HydrophobicContact CD1-CE2 4.32Å; L53-F58 HydrophobicContact CD1-CZ 3.62Å; L53-F58 HydrophobicContact CG-CZ 4.34Å; L53-E299 WeakPolarHBondContact CD2-OE1 3.42Å; L53-V300 HydrophobicContact CD1-CG2 3.78Å
54L91.5Very high86.4Confident48 Ų4835.5 Ų35.525%0.25121%0.208SC..PPolyproline II helixtrans-76.7149.4176.9-60.4175000110.7P52 A56 E57 F58 Q126P52-L54 PolarHBondContact O-N 2.85Å; L54-A56 PolarHBondContact O-N 3.48Å; L54-E57 HydrophobicContact CB-CG 4.02Å; L54-E57 WeakPolarHBondContact O-CB 3.44Å; L54-E57 PolarHBondContact O-N 2.89Å; L54-F58 VanDerWaalsContact O-CD2 3.26Å; L54-F58 WeakPolarHBondContact O-CD2 3.29Å; L54-Q126 HydrophobicContact CD1-CB 4Å; L54-Q126 HydrophobicContact CD1-CG 4.13Å
55D91.9Very high87.3Confident63 Ų6333.4 Ų33.434%0.33719%0.193SC..Hα-helixtrans-55.7-36.7176.7-79.4-50.5000112.8R29 K33 E57 F58R29-D55 WeakPolarHBondContact CD-OD1 3.27Å; R29-D55 WeakPolarHBondContact CG-OD1 3.44Å; R29-D55 IonicContact CZ-OD1 2.82Å; R29-D55 IonicContact NE-OD1 3.71Å; R29-D55 IonicContact NH1-OD1 3.8Å; R29-D55 PolarHBondContact NH1-OD1 3.48Å; K33-D55 WeakPolarHBondContact CE-OD1 3.32Å; K33-D55 IonicContact NZ-OD1 2.64Å; K33-D55 PolarHBondContact NZ-OD1 3.09Å; K33-D55 IonicContact NZ-OD2 3.98Å; K33-D55 PolarHBondContact NZ-OD2 3.16Å; D55-E57 VanDerWaalsContact C-N 3.31Å; D55-E57 PolarHBondContact O-N 3.32Å; D55-F58 PolarHBondContact O-N 3.09Å
56A92.1Very high88.4Confident3 Ų332.9 Ų32.93%0.02519%0.191CC..Hα-helixtrans-64.8-32.517700000112.9L54 F58 T59 C60 L121 P124L54-A56 PolarHBondContact O-N 3.48Å; A56-F58 PolarHBondContact O-N 3.42Å; A56-T59 PolarHBondContact O-N 3.29Å; A56-T59 VanDerWaalsContact O-N 3.12Å; A56-T59 PolarHBondContact O-OG1 2.73Å; A56-C60 WeakPolarHBondContact O-CB 3.44Å; A56-C60 PolarHBondContact O-N 2.7Å; A56-C60 PolarHBondContact O-SG 3.48Å; A56-L121 WeakPolarHBondContact CB-O 3.33Å; A56-P124 HydrophobicContact CB-CB 3.96Å
57E92.5Very high89.3Confident26 Ų2628.9 Ų28.912%0.12117%0.17CC..Hα-helixtrans-66.5-25-177.4-70.4173.2-159.600112.2L53 L54 D55 P124 K184 R296L53-E57 WeakPolarHBondContact CD2-OE2 3.34Å; L54-E57 HydrophobicContact CB-CG 4.02Å; L54-E57 WeakPolarHBondContact O-CB 3.44Å; L54-E57 PolarHBondContact O-N 2.89Å; D55-E57 VanDerWaalsContact C-N 3.31Å; D55-E57 PolarHBondContact O-N 3.32Å; E57-P124 HydrophobicContact CG-CB 3.97Å; E57-K184 VanDerWaalsContact OE1-CE 3.31Å; E57-K184 WeakPolarHBondContact OE1-CE 3.49Å; E57-K184 IonicContact OE1-NZ 3.86Å; E57-K184 PolarHBondContact OE1-NZ 3.41Å; E57-K184 IonicContact OE2-NZ 2.69Å; E57-K184 PolarHBondContact OE2-NZ 3.42Å; E57-R296 PolarHBondContact O-NE 2.96Å; E57-R296 PolarHBondContact O-NH2 3.38Å
58F92.4Very high90.4Very high4 Ų424.9 Ų24.92%0.01815%0.146CC..Hα-helixtrans-77.1-29.1174.9-66.8-88.5000113.1P25 L28 R29 Y32 L53 L54 D55 A56 R296 V300P25-F58 WeakPolarHBondContact CB-O 3.47Å; L28-F58 HydrophobicContact CB-CD1 4.47Å; L28-F58 HydrophobicContact CD2-CD1 4.35Å; L28-F58 HydrophobicContact CD2-CE1 4.48Å; L28-F58 HydrophobicContact CG-CD1 4.17Å; L28-F58 HydrophobicContact CG-CE1 4.12Å; R29-F58 HydrophobicContact CB-CB 3.84Å; R29-F58 HydrophobicContact CB-CD1 3.92Å; R29-F58 HydrophobicContact CB-CD2 3.91Å; R29-F58 HydrophobicContact CB-CE1 4.48Å; R29-F58 HydrophobicContact CB-CE2 4.47Å; R29-F58 HydrophobicContact CB-CG 3.61Å; R29-F58 HydrophobicContact CG-CB 4.19Å; R29-F58 HydrophobicContact CG-CD2 3.65Å; R29-F58 HydrophobicContact CG-CE2 4.17Å; R29-F58 HydrophobicContact CG-CG 3.89Å; Y32-F58 HydrophobicContact CD1-CE1 4.47Å; Y32-F58 AromaticContact CD1-CE2 3.9Å; Y32-F58 HydrophobicContact CD1-CE2 3.9Å; Y32-F58 AromaticContact CD1-CZ 3.43Å; Y32-F58 HydrophobicContact CD1-CZ 3.43Å; Y32-F58 VanDerWaalsContact CD1-CZ 3.43Å; Y32-F58 HydrophobicContact CE1-CE2 4.31Å; Y32-F58 HydrophobicContact CE1-CZ 4.06Å; Y32-F58 HydrophobicContact CG-CE1 4.42Å; Y32-F58 AromaticContact CG-CZ 3.73Å; Y32-F58 HydrophobicContact CG-CZ 3.73Å; L53-F58 HydrophobicContact CB-CE2 3.6Å; L53-F58 HydrophobicContact CB-CZ 3.74Å; L53-F58 HydrophobicContact CD1-CE1 4.19Å; L53-F58 HydrophobicContact CD1-CE2 4.32Å; L53-F58 HydrophobicContact CD1-CZ 3.62Å; L53-F58 HydrophobicContact CG-CZ 4.34Å; L54-F58 VanDerWaalsContact O-CD2 3.26Å; L54-F58 WeakPolarHBondContact O-CD2 3.29Å; D55-F58 PolarHBondContact O-N 3.09Å; A56-F58 PolarHBondContact O-N 3.42Å; F58-R296 PolarHBondContact O-NH1 3.38Å; F58-V300 HydrophobicContact CE1-CG2 3.78Å; F58-V300 HydrophobicContact CZ-CG2 4.31Å
59T90.1Very high91.5Very high75 Ų7522.8 Ų22.846%0.4614%0.137SC..Hα-helixtrans-112.1-11.8-167.754.80000113.9P25 E26 A56P25-T59 HydrophobicContact CB-CG2 4.5Å; E26-T59 HydrophobicContact CG-CG2 4.38Å; A56-T59 PolarHBondContact O-N 3.29Å; A56-T59 VanDerWaalsContact O-N 3.12Å; A56-T59 PolarHBondContact O-OG1 2.73Å
60C91.6Very high92Very high33 Ų3322.5 Ų22.522%0.22313%0.13CC..SBendtrans-66.1159.6177.861.40000112.4A56 P124 R296A56-C60 WeakPolarHBondContact O-CB 3.44Å; A56-C60 PolarHBondContact O-N 2.7Å; A56-C60 PolarHBondContact O-SG 3.48Å; C60-P124 HydrophobicContact CB-CG 4.19Å; C60-R296 PolarHBondContact O-NH1 3.19Å; C60-R296 VanDerWaalsContact O-NH1 3.1Å; C60-R296 PolarHBondContact O-NH2 3.1Å; C60-R296 PolarHBondContact SG-NH2 2.9Å
61S92Very high92.3Very high29 Ų2923.2 Ų23.220%0.20313%0.134CC..PPolyproline II helixtrans-68.5156.5167.5580000110.8A63 S153S61-A63 PolarHBondContact O-N 3.5Å; S61-S153 PolarHBondContact OG-N 3.08Å; S61-S153 PolarHBondContact OG-OG 2.89Å
62P94.5Very high92.5Very high6 Ų621.9 Ų21.94%0.03913%0.126CC..PPolyproline II helixtrans-53.8139.4171.622-34.6000111.8H151 I152 S153 D186 L288 T289 I292P62-H151 WeakPolarHBondContact CD-O 3.44Å; P62-H151 VanDerWaalsContact CG-O 3.25Å; P62-H151 WeakPolarHBondContact CG-O 3.44Å; P62-I152 HydrophobicContact CG-CG1 4.16Å; P62-I152 CarbonylContact O-C 3.54Å; P62-I152 WeakPolarHBondContact O-CA 3.45Å; P62-S153 PolarHBondContact O-N 2.99Å; P62-D186 WeakPolarHBondContact CA-OD2 3.36Å; P62-D186 HydrophobicContact CB-CB 4.34Å; P62-L288 HydrophobicContact CB-CB 3.99Å; P62-L288 HydrophobicContact CG-CB 4.27Å; P62-T289 HydrophobicContact CG-CG2 4.32Å; P62-I292 VanDerWaalsContact CA-CD1 3.48Å; P62-I292 HydrophobicContact CB-CB 4.43Å; P62-I292 HydrophobicContact CB-CD1 3.84Å; P62-I292 HydrophobicContact CG-CD1 4.33Å; P62-I292 VanDerWaalsContact N-CD1 3.32Å
63A96.3Very high92.5Very high2 Ų220.5 Ų20.52%0.01712%0.119CC..EExtended strand (participates in β ladder)trans-108.6135.6-179.300000111.6S61 Y125 S153 V185 D186 C187S61-A63 PolarHBondContact O-N 3.5Å; A63-Y125 VanDerWaalsContact CB-OH 3.29Å; A63-Y125 WeakPolarHBondContact CB-OH 3.43Å; A63-S153 CarbonylContact C-O 3.59Å; A63-S153 WeakPolarHBondContact CA-O 3.46Å; A63-V185 HydrophobicContact CB-CB 4.13Å; A63-V185 HydrophobicContact CB-CG1 3.78Å; A63-V185 WeakPolarHBondContact O-CB 3.32Å; A63-D186 PolarHBondContact N-OD2 3.11Å; A63-D186 PolarHBondContact O-N 3.3Å; A63-C187 PolarHBondContact O-N 3.25Å; A63-C187 VanDerWaalsContact O-N 3.16Å
64V97.6Very high92.6Very high4 Ų420.2 Ų20.22%0.02412%0.117CC..EExtended strand (participates in β ladder)trans-113.8115.1177-178.20000109V66 I152 S153 I154 I155 C187 L189 L285 L288V64-V66 HydrophobicContact CG1-CG2 4.48Å; V64-I152 HydrophobicContact CB-CG2 4.48Å; V64-I152 HydrophobicContact CG2-CG2 3.59Å; V64-S153 PolarHBondContact N-O 3.28Å; V64-I154 CarbonylContact O-C 3.58Å; V64-I154 WeakPolarHBondContact O-CA 3.26Å; V64-I155 PolarHBondContact O-N 3.26Å; V64-C187 CarbonylContact C-O 3.57Å; V64-C187 WeakPolarHBondContact CA-O 3.25Å; V64-C187 HydrophobicContact CG1-CB 4.49Å; V64-C187 HydrophobicContact CG2-CB 4.27Å; V64-L189 HydrophobicContact CG1-CB 4.46Å; V64-L189 HydrophobicContact CG1-CD1 3.6Å; V64-L189 HydrophobicContact CG1-CG 3.59Å; V64-L285 HydrophobicContact CG1-CD2 4.22Å; V64-L285 HydrophobicContact CG2-CD2 4.05Å; V64-L288 HydrophobicContact CG2-CD1 3.66Å
65L98.2Very high92.6Very high0 Ų018.4 Ų18.40%011%0.108CC..EExtended strand (participates in β ladder)trans-90120.4175.5-175.368.4000110.1V67 I155 T157 L178 F181 V185 C187 I188 L189L65-V67 HydrophobicContact CD2-CG2 3.82Å; L65-V67 HydrophobicContact CG-CG2 3.74Å; L65-I155 HydrophobicContact CD1-CB 3.77Å; L65-I155 HydrophobicContact CD1-CD1 4.47Å; L65-I155 HydrophobicContact CD1-CG2 3.57Å; L65-T157 HydrophobicContact CD1-CG2 3.39Å; L65-T157 HydrophobicContact CG-CG2 4.12Å; L65-L178 HydrophobicContact CD2-CD2 4.43Å; L65-F181 HydrophobicContact CD1-CB 3.84Å; L65-F181 HydrophobicContact CD1-CD2 4.46Å; L65-F181 HydrophobicContact CD1-CG 4.18Å; L65-F181 HydrophobicContact CD2-CB 3.85Å; L65-F181 HydrophobicContact CG-CB 4.46Å; L65-V185 HydrophobicContact CB-CB 4.3Å; L65-V185 HydrophobicContact CB-CG1 3.96Å; L65-V185 HydrophobicContact CB-CG2 3.85Å; L65-V185 HydrophobicContact CD2-CG2 4.49Å; L65-C187 PolarHBondContact N-O 3.44Å; L65-I188 HydrophobicContact CB-CG1 4.44Å; L65-I188 HydrophobicContact CD2-CG1 4.4Å; L65-I188 HydrophobicContact CD2-CG2 4.48Å; L65-I188 CarbonylContact O-C 3.56Å; L65-I188 WeakPolarHBondContact O-CA 3.33Å; L65-L189 PolarHBondContact O-N 3.13Å
66V97.5Very high92.5Very high1 Ų118 Ų181%0.00611%0.108CC..EExtended strand (participates in β ladder)trans-99.8112.3178.8-171.90000109.6V64 K74 M77 I78 I154 I155 T157 L189 M191V64-V66 HydrophobicContact CG1-CG2 4.48Å; V66-K74 HydrophobicContact CG1-CB 3.8Å; V66-K74 HydrophobicContact CG1-CD 4.07Å; V66-K74 HydrophobicContact CG1-CG 3.79Å; V66-M77 HydrophobicContact CG1-CE 3.98Å; V66-M77 HydrophobicContact CG2-CE 4.44Å; V66-I78 HydrophobicContact CB-CD1 4.19Å; V66-I78 HydrophobicContact CG1-CD1 4.45Å; V66-I78 HydrophobicContact CG2-CD1 3.92Å; V66-I78 HydrophobicContact CG2-CG1 4.16Å; V66-I154 HydrophobicContact CG2-CG2 4.03Å; V66-I155 PolarHBondContact N-O 3.16Å; V66-T157 WeakPolarHBondContact O-CB 3.25Å; V66-T157 WeakPolarHBondContact O-CG2 3.27Å; V66-T157 PolarHBondContact O-N 3.22Å; V66-T157 PolarHBondContact O-OG1 3.15Å; V66-L189 HydrophobicContact CG2-CB 4.43Å; V66-L189 HydrophobicContact CG2-CD1 4.31Å; V66-M191 HydrophobicContact CG1-CG 4.25Å; V66-M191 HydrophobicContact CG1-SD 3.68Å
67V96Very high92.5Very high0 Ų017.9 Ų17.90%011%0.107CC..EExtended strand (participates in β ladder)trans-118.6145.9-176.3-175.30000110L65 T157 I160 L178 I188 L189 F190 M191L65-V67 HydrophobicContact CD2-CG2 3.82Å; L65-V67 HydrophobicContact CG-CG2 3.74Å; V67-T157 HydrophobicContact CG2-CG2 4.34Å; V67-I160 HydrophobicContact CG1-CD1 3.99Å; V67-L178 HydrophobicContact CG1-CD1 4.16Å; V67-L178 HydrophobicContact CG2-CD2 4.14Å; V67-I188 HydrophobicContact CG2-CG2 4.08Å; V67-L189 PolarHBondContact N-O 3.27Å; V67-F190 HydrophobicContact CB-CD2 4.14Å; V67-F190 HydrophobicContact CB-CE2 4.29Å; V67-F190 HydrophobicContact CG1-CD2 4.08Å; V67-F190 HydrophobicContact CG1-CE2 3.71Å; V67-F190 HydrophobicContact CG1-CZ 4.09Å; V67-F190 CarbonylContact O-C 3.59Å; V67-F190 WeakPolarHBondContact O-CA 3.39Å; V67-M191 PolarHBondContact O-N 3.44Å
68G93.8Very high92.6Very high0 Ų016.7 Ų16.70%010%0.102CC..EExtended strand (participates in β ladder)trans162.7165.8176.100000112.4K74 I160G68-K74 PolarHBondContact O-NZ 2.93Å; G68-I160 PolarHBondContact O-N 3.09Å
69E90.8Very high92.5Very high29 Ų2917.3 Ų17.314%0.13611%0.105CC..BIsolated β-bridgetrans-58.6168.1179.5-68.7-165.8169.500113.1V72 K74 I160 V203E69-V72 HydrophobicContact CB-CG1 3.72Å; E69-V72 WeakPolarHBondContact O-CG1 3.45Å; E69-V72 VanDerWaalsContact O-CG2 3.3Å; E69-V72 WeakPolarHBondContact O-CG2 3.48Å; E69-K74 PolarHBondContact O-NZ 3.29Å; E69-I160 HydrophobicContact CG-CB 4.39Å; E69-V203 HydrophobicContact CG-CG2 3.55Å; E69-V203 WeakPolarHBondContact OE1-CG2 3.33Å
70Y85.1Confident92.3Very high39 Ų3915.3 Ų15.315%0.1539%0.091CC..THydrogen-bonded Turntrans-63.3141173-179.5-106.9000112V72 G92 P93 E94 P95 I160Y70-V72 VanDerWaalsContact C-N 3.27Å; Y70-V72 PolarHBondContact O-N 3Å; Y70-G92 PolarHBondContact OH-O 2.96Å; Y70-P93 WeakPolarHBondContact CE1-O 3.46Å; Y70-P93 WeakPolarHBondContact OH-CA 3.38Å; Y70-P93 PolarHBondContact OH-O 2.83Å; Y70-E94 WeakPolarHBondContact OH-CA 3.43Å; Y70-E94 PolarHBondContact OH-N 3.13Å; Y70-E94 VanDerWaalsContact OH-N 3.1Å; Y70-E94 PolarHBondContact OH-O 3.1Å; Y70-P95 HydrophobicContact CD2-CB 4.39Å; Y70-P95 HydrophobicContact CE2-CB 4.39Å; Y70-I160 PolarHBondContact N-O 3.43Å
71S86.1Confident92.2Very high39 Ų3914.2 Ų14.227%0.2738%0.082SC..THydrogen-bonded Turntrans61.313.5-177.3-560000118G73 K223S71-G73 PolarHBondContact O-N 3.07Å; S71-K223 PolarHBondContact O-NZ 3.2Å
72V90.3Very high91.9Very high3 Ų313.1 Ų13.12%0.0187%0.074CC..SBendtrans-70.8-12.9173.8-55.50000113.8E69 Y70 K74 M191 D193 N222E69-V72 HydrophobicContact CB-CG1 3.72Å; E69-V72 WeakPolarHBondContact O-CG1 3.45Å; E69-V72 VanDerWaalsContact O-CG2 3.3Å; E69-V72 WeakPolarHBondContact O-CG2 3.48Å; Y70-V72 VanDerWaalsContact C-N 3.27Å; Y70-V72 PolarHBondContact O-N 3Å; V72-K74 HydrophobicContact CG2-CD 4.45Å; V72-K74 HydrophobicContact CG2-CG 3.69Å; V72-M191 HydrophobicContact CG2-CB 3.8Å; V72-D193 HydrophobicContact CB-CB 4.3Å; V72-D193 HydrophobicContact CG1-CB 4.05Å; V72-N222 PolarHBondContact O-ND2 3.45Å
73G90.8Very high91.3Very high12 Ų1216.9 Ų16.912%0.1249%0.093CC..SBendtrans99.123.5177.700000115.8S71 T76 M77S71-G73 PolarHBondContact O-N 3.07Å; G73-T76 PolarHBondContact O-N 2.94Å; G73-M77 WeakPolarHBondContact O-CB 3.32Å; G73-M77 PolarHBondContact O-N 2.91Å
74K93.1Very high90.6Very high8 Ų819.4 Ų19.44%0.03511%0.106CC..Hα-helixtrans-51.3-62176.6-61.6-173.8-65.4-65.20113V66 G68 E69 V72 T76 M77 I78 T157 M191V66-K74 HydrophobicContact CG1-CB 3.8Å; V66-K74 HydrophobicContact CG1-CD 4.07Å; V66-K74 HydrophobicContact CG1-CG 3.79Å; G68-K74 PolarHBondContact O-NZ 2.93Å; E69-K74 PolarHBondContact O-NZ 3.29Å; V72-K74 HydrophobicContact CG2-CD 4.45Å; V72-K74 HydrophobicContact CG2-CG 3.69Å; K74-T76 VanDerWaalsContact C-N 3.27Å; K74-T76 PolarHBondContact O-N 3.03Å; K74-M77 PolarHBondContact O-N 3.4Å; K74-I78 VanDerWaalsContact O-CG1 3.31Å; K74-I78 WeakPolarHBondContact O-CG1 3.38Å; K74-I78 PolarHBondContact O-N 3.35Å; K74-T157 WeakPolarHBondContact CE-O 3.32Å; K74-M191 VanDerWaalsContact CA-SD 3.55Å; K74-M191 HydrophobicContact CB-SD 4.15Å; K74-M191 HydrophobicContact CG-SD 3.79Å
75T91.9Very high90Very high11 Ų1126 Ų267%0.06714%0.136CC..Hα-helixtrans-61.7-35.8180-50.20000112.1I78 N79 Y86 T91 D156T75-I78 PolarHBondContact O-N 3.12Å; T75-N79 WeakPolarHBondContact O-CB 3.41Å; T75-N79 VanDerWaalsContact O-CG 3.31Å; T75-N79 PolarHBondContact O-N 3.47Å; T75-Y86 HydrophobicContact CG2-CE1 3.87Å; T75-T91 HydrophobicContact CG2-CG2 3.92Å; T75-D156 WeakPolarHBondContact CB-OD2 3.29Å; T75-D156 PolarHBondContact OG1-OD2 3.38Å
76T90.4Very high89.2Confident54 Ų5426.2 Ų26.233%0.33114%0.137SC..Hα-helixtrans-63.9-46.7176.1-52.20000111.7G73 K74 I78 N79 H80 W261G73-T76 PolarHBondContact O-N 2.94Å; K74-T76 VanDerWaalsContact C-N 3.27Å; K74-T76 PolarHBondContact O-N 3.03Å; T76-I78 VanDerWaalsContact C-N 3.33Å; T76-I78 PolarHBondContact O-N 2.82Å; T76-N79 PolarHBondContact O-N 2.97Å; T76-H80 VanDerWaalsContact O-CB 3.3Å; T76-H80 WeakPolarHBondContact O-CB 3.14Å; T76-H80 PolarHBondContact O-N 2.94Å; T76-W261 HydrophobicContact CG2-CB 3.89Å
77M92.6Very high88.1Confident1 Ų129.5 Ų29.51%0.00515%0.154CC..Hα-helixtrans-61.7-41.8175.9177178.881.500111.5V66 G73 K74 H80 F81 L189 M191 F260V66-M77 HydrophobicContact CG1-CE 3.98Å; V66-M77 HydrophobicContact CG2-CE 4.44Å; G73-M77 WeakPolarHBondContact O-CB 3.32Å; G73-M77 PolarHBondContact O-N 2.91Å; K74-M77 PolarHBondContact O-N 3.4Å; M77-H80 WeakPolarHBondContact O-CB 3.31Å; M77-H80 PolarHBondContact O-N 3.33Å; M77-F81 HydrophobicContact CE-CE2 4.11Å; M77-F81 HydrophobicContact CG-CD2 3.94Å; M77-F81 HydrophobicContact CG-CE1 4.5Å; M77-F81 HydrophobicContact CG-CE2 3.41Å; M77-F81 VanDerWaalsContact CG-CE2 3.41Å; M77-F81 HydrophobicContact CG-CZ 3.73Å; M77-F81 WeakPolarHBondContact O-CG 3.42Å; M77-F81 PolarHBondContact O-N 3.45Å; M77-F81 HydrophobicContact SD-CE2 3.8Å; M77-F81 HydrophobicContact SD-CZ 4.08Å; M77-L189 HydrophobicContact CE-CD1 3.64Å; M77-M191 HydrophobicContact CB-CE 3.94Å; M77-M191 HydrophobicContact CB-SD 4.46Å; M77-M191 HydrophobicContact CE-CE 3.96Å; M77-M191 HydrophobicContact CE-CG 4.22Å; M77-M191 HydrophobicContact CE-SD 3.37Å; M77-M191 WeakPolarHBondContact CE-SD 3.49Å; M77-M191 HydrophobicContact CG-CE 4.37Å; M77-M191 HydrophobicContact SD-CE 3.53Å; M77-M191 VanDerWaalsContact SD-CE 3.53Å; M77-M191 HydrophobicContact SD-SD 3.82Å; M77-F260 HydrophobicContact CB-CB 3.69Å; M77-F260 HydrophobicContact CB-CG 4.3Å; M77-F260 HydrophobicContact CG-CB 3.53Å; M77-F260 HydrophobicContact CG-CD1 4.21Å; M77-F260 HydrophobicContact CG-CD2 4.14Å; M77-F260 HydrophobicContact CG-CG 3.7Å; M77-F260 HydrophobicContact SD-CB 4.4Å; M77-F260 HydrophobicContact SD-CD1 4.43Å; M77-F260 HydrophobicContact SD-CD2 3.88Å; M77-F260 HydrophobicContact SD-CE2 4.29Å; M77-F260 HydrophobicContact SD-CG 3.97Å
78I93Very high86.9Confident1 Ų132.4 Ų32.41%0.00518%0.175CC..Hα-helixtrans-62.4-50.9177.4-66.9166000110.2V66 K74 T75 T76 H80 F81 L82 Y86 L103 I154 D156V66-I78 HydrophobicContact CB-CD1 4.19Å; V66-I78 HydrophobicContact CG1-CD1 4.45Å; V66-I78 HydrophobicContact CG2-CD1 3.92Å; V66-I78 HydrophobicContact CG2-CG1 4.16Å; K74-I78 VanDerWaalsContact O-CG1 3.31Å; K74-I78 WeakPolarHBondContact O-CG1 3.38Å; K74-I78 PolarHBondContact O-N 3.35Å; T75-I78 PolarHBondContact O-N 3.12Å; T76-I78 VanDerWaalsContact C-N 3.33Å; T76-I78 PolarHBondContact O-N 2.82Å; I78-H80 PolarHBondContact O-N 3.08Å; I78-F81 PolarHBondContact O-N 2.99Å; I78-F81 VanDerWaalsContact O-N 3.08Å; I78-L82 HydrophobicContact CG2-CD1 3.75Å; I78-L82 HydrophobicContact CG2-CG 4.21Å; I78-L82 VanDerWaalsContact O-CG 3.28Å; I78-L82 WeakPolarHBondContact O-CG 3.3Å; I78-L82 PolarHBondContact O-N 3.29Å; I78-Y86 HydrophobicContact CB-CE1 4.5Å; I78-Y86 HydrophobicContact CG2-CD1 4.05Å; I78-Y86 HydrophobicContact CG2-CE1 3.9Å; I78-L103 HydrophobicContact CG2-CD1 3.5Å; I78-L103 VanDerWaalsContact CG2-CD1 3.5Å; I78-I154 HydrophobicContact CD1-CG2 3.91Å; I78-I154 HydrophobicContact CG1-CG2 3.96Å; I78-I154 HydrophobicContact CG2-CG2 4.28Å; I78-D156 HydrophobicContact CD1-CB 3.57Å
79N89.9Confident85.7Confident16 Ų1633.1 Ų33.19%0.08618%0.179CC..Hα-helixtrans-58.4-38.9176.6-73.5-7.7000111.6T75 T76 L82 N83 M84 Y86 S89T75-N79 WeakPolarHBondContact O-CB 3.41Å; T75-N79 VanDerWaalsContact O-CG 3.31Å; T75-N79 PolarHBondContact O-N 3.47Å; T76-N79 PolarHBondContact O-N 2.97Å; N79-L82 PolarHBondContact O-N 3.11Å; N79-N83 PolarHBondContact O-N 3.34Å; N79-M84 VanDerWaalsContact CA-O 3.3Å; N79-M84 WeakPolarHBondContact CA-O 3.4Å; N79-M84 WeakPolarHBondContact CB-O 3.2Å; N79-M84 PolarHBondContact O-N 3.34Å; N79-M84 PolarHBondContact OD1-O 3.11Å; N79-Y86 WeakPolarHBondContact OD1-CD1 3.23Å; N79-Y86 WeakPolarHBondContact OD1-CE1 3.22Å; N79-S89 PolarHBondContact ND2-OG 3.48Å
80H87.3Confident84.2Confident34 Ų3441.2 Ų41.216%0.15721%0.209CC..Hα-helixtrans-61.2-44.2174.6178.583.4000111.8T76 M77 I78 N83 F260 W261 D262 R412T76-H80 VanDerWaalsContact O-CB 3.3Å; T76-H80 WeakPolarHBondContact O-CB 3.14Å; T76-H80 PolarHBondContact O-N 2.94Å; M77-H80 WeakPolarHBondContact O-CB 3.31Å; M77-H80 PolarHBondContact O-N 3.33Å; I78-H80 PolarHBondContact O-N 3.08Å; H80-N83 PolarHBondContact O-N 3.14Å; H80-F260 WeakPolarHBondContact CB-O 3.31Å; H80-W261 PolarHBondContact CE1-O 3.3Å; H80-W261 PolarHBondContact ND1-O 2.9Å; H80-D262 IonicContact CE1-OD1 3.9Å; H80-D262 IonicContact CG-OD1 2.85Å; H80-D262 IonicContact ND1-OD1 3.55Å; H80-D262 PolarHBondContact ND1-OD1 3.45Å; H80-R412 PolarHBondContact CE1-NH1 2.91Å; H80-R412 VanDerWaalsContact CE1-NH1 3.35Å; H80-R412 PolarHBondContact ND1-NH1 2.77Å; H80-R412 WeakPolarHBondContact O-CD 3.28Å; H80-R412 PolarHBondContact O-NH1 3.21Å
81F89.5Confident82.8Confident9 Ų943.1 Ų43.14%0.03923%0.225CC..Hα-helixtrans-70.4-37.3176.8-66.9-31000113.3M77 I78 N83 L148 F260 L285 L413M77-F81 HydrophobicContact CE-CE2 4.11Å; M77-F81 HydrophobicContact CG-CD2 3.94Å; M77-F81 HydrophobicContact CG-CE1 4.5Å; M77-F81 HydrophobicContact CG-CE2 3.41Å; M77-F81 VanDerWaalsContact CG-CE2 3.41Å; M77-F81 HydrophobicContact CG-CZ 3.73Å; M77-F81 WeakPolarHBondContact O-CG 3.42Å; M77-F81 PolarHBondContact O-N 3.45Å; M77-F81 HydrophobicContact SD-CE2 3.8Å; M77-F81 HydrophobicContact SD-CZ 4.08Å; I78-F81 PolarHBondContact O-N 2.99Å; I78-F81 VanDerWaalsContact O-N 3.08Å; F81-N83 PolarHBondContact O-N 3.34Å; F81-L148 HydrophobicContact CB-CD2 4.24Å; F81-F260 AromaticContact CE1-CD1 3.73Å; F81-F260 HydrophobicContact CE1-CD1 3.73Å; F81-F260 HydrophobicContact CE1-CE1 4.21Å; F81-F260 AromaticContact CZ-CD1 3.64Å; F81-F260 HydrophobicContact CZ-CD1 3.64Å; F81-F260 AromaticContact CZ-CE1 3.92Å; F81-F260 HydrophobicContact CZ-CE1 3.92Å; F81-F260 HydrophobicContact CZ-CG 4.43Å; F81-L285 HydrophobicContact CE2-CD1 4.06Å; F81-L285 HydrophobicContact CZ-CD1 4.43Å; F81-L413 HydrophobicContact CB-CD2 4.49Å; F81-L413 HydrophobicContact CB-CG 4.47Å; F81-L413 HydrophobicContact CD1-CD2 3.6Å; F81-L413 HydrophobicContact CD1-CG 4.38Å; F81-L413 HydrophobicContact CD2-CD2 4.31Å; F81-L413 HydrophobicContact CE1-CD2 3.77Å; F81-L413 HydrophobicContact CE2-CD2 4.44Å; F81-L413 HydrophobicContact CG-CD2 3.9Å; F81-L413 HydrophobicContact CG-CG 4.39Å; F81-L413 HydrophobicContact CZ-CD2 4.19Å
82L85.4Confident81.3Confident7 Ų742.9 Ų42.94%0.03723%0.228CC..Hα-helixtrans-72.6-14.3178.2-61.9177.3000113I78 N79 M84 Y86 L103 C146 L148 L149 I154I78-L82 HydrophobicContact CG2-CD1 3.75Å; I78-L82 HydrophobicContact CG2-CG 4.21Å; I78-L82 VanDerWaalsContact O-CG 3.28Å; I78-L82 WeakPolarHBondContact O-CG 3.3Å; I78-L82 PolarHBondContact O-N 3.29Å; N79-L82 PolarHBondContact O-N 3.11Å; L82-M84 HydrophobicContact CB-CG 3.9Å; L82-M84 PolarHBondContact O-N 2.98Å; L82-Y86 HydrophobicContact CD1-CD1 4.17Å; L82-L103 HydrophobicContact CD1-CD1 3.82Å; L82-C146 HydrophobicContact CD2-CB 4.39Å; L82-L148 HydrophobicContact CD2-CD2 4.34Å; L82-L149 HydrophobicContact CD2-CD1 4.06Å; L82-L149 HydrophobicContact CD2-CD2 3.79Å; L82-L149 HydrophobicContact CD2-CG 3.72Å; L82-I154 HydrophobicContact CD2-CD1 4.28Å
83N82.1Confident79.3Confident84 Ų8448.5 Ų48.545%0.44926%0.264SS..THydrogen-bonded Turntrans54.929.3-169.9-167.242.7000112.5N79 H80 F81 R412N79-N83 PolarHBondContact O-N 3.34Å; H80-N83 PolarHBondContact O-N 3.14Å; F81-N83 PolarHBondContact O-N 3.34Å; N83-R412 HydrophobicContact CB-CG 4.33Å; N83-R412 PolarHBondContact OD1-NE 3.32Å; N83-R412 PolarHBondContact OD1-NH2 3.22Å
84M80.9Confident77.5Confident56 Ų5655.2 Ų55.228%0.27629%0.293SS..SBendtrans-162.7158.1179.869.9-173.1-31.300110.7N79 L82 H109 C144 C146N79-M84 VanDerWaalsContact CA-O 3.3Å; N79-M84 WeakPolarHBondContact CA-O 3.4Å; N79-M84 WeakPolarHBondContact CB-O 3.2Å; N79-M84 PolarHBondContact O-N 3.34Å; N79-M84 PolarHBondContact OD1-O 3.11Å; L82-M84 HydrophobicContact CB-CG 3.9Å; L82-M84 PolarHBondContact O-N 2.98Å; M84-H109 WeakPolarHBondContact CE-CE1 3.43Å; M84-C144 HydrophobicContact SD-CB 4.32Å; M84-C146 HydrophobicContact SD-CB 4.07Å
85E84.3Confident75.7Confident142 Ų14259.1 Ų59.166%0.66432%0.319SS*.PPolyproline II helixtrans-85.9124.1168.1-63.4-168.5161.600109.7
86Y82.6Confident74Confident5 Ų561 Ų612%0.0233%0.33CS..PPolyproline II helixtrans-82.3159.2176.970.8-100.5000111.2T75 I78 N79 L82 S88 S89 C101 L103 I142 D156T75-Y86 HydrophobicContact CG2-CE1 3.87Å; I78-Y86 HydrophobicContact CB-CE1 4.5Å; I78-Y86 HydrophobicContact CG2-CD1 4.05Å; I78-Y86 HydrophobicContact CG2-CE1 3.9Å; N79-Y86 WeakPolarHBondContact OD1-CD1 3.23Å; N79-Y86 WeakPolarHBondContact OD1-CE1 3.22Å; L82-Y86 HydrophobicContact CD1-CD1 4.17Å; Y86-S88 PolarHBondContact O-N 2.95Å; Y86-S89 WeakPolarHBondContact O-CB 3.28Å; Y86-S89 PolarHBondContact O-N 2.98Å; Y86-S89 PolarHBondContact O-OG 2.93Å; Y86-C101 HydrophobicContact CE2-CB 4.37Å; Y86-L103 HydrophobicContact CD1-CD1 3.69Å; Y86-L103 HydrophobicContact CD1-CD2 4.35Å; Y86-L103 HydrophobicContact CD2-CD2 3.72Å; Y86-L103 HydrophobicContact CE1-CD1 3.93Å; Y86-L103 HydrophobicContact CE2-CD2 4.06Å; Y86-L103 HydrophobicContact CG-CD1 4.03Å; Y86-L103 HydrophobicContact CG-CD2 3.91Å; Y86-I142 HydrophobicContact CD2-CD1 3.83Å; Y86-I142 HydrophobicContact CE2-CD1 3.96Å; Y86-D156 PolarHBondContact OH-OD2 3.48Å
87L74.5Confident72.6Confident69 Ų6959.2 Ų59.236%0.36132%0.319SS..THydrogen-bonded Turntrans-58.3137-179.4-70177.3000111.7S89 H109 Q111 I142L87-S89 PolarHBondContact O-N 3.19Å; L87-H109 HydrophobicContact CD1-CB 3.98Å; L87-H109 HydrophobicContact CG-CB 4.36Å; L87-Q111 HydrophobicContact CD1-CB 4.34Å; L87-I142 HydrophobicContact CB-CG2 4.25Å; L87-I142 VanDerWaalsContact O-CD1 3.3Å; L87-I142 WeakPolarHBondContact O-CD1 3.4Å
88S71.1Confident71.9Confident62 Ų6263 Ų6343%0.43434%0.339SS..THydrogen-bonded Turntrans65.912.8-173.4-59.20000115.4Y86 R90 Q111Y86-S88 PolarHBondContact O-N 2.95Å; S88-R90 PolarHBondContact O-N 3.38Å; S88-Q111 PolarHBondContact OG-NE2 3.47Å; S88-Q111 PolarHBondContact OG-OE1 2.77Å
89S68.4Low71.7Confident14 Ų1464.1 Ų64.110%0.09835%0.347CS..  trans-72.469.5167.378.40000110.8N79 Y86 L87 T91N79-S89 PolarHBondContact ND2-OG 3.48Å; Y86-S89 WeakPolarHBondContact O-CB 3.28Å; Y86-S89 PolarHBondContact O-N 2.98Å; Y86-S89 PolarHBondContact O-OG 2.93Å; L87-S89 PolarHBondContact O-N 3.19Å; S89-T91 PolarHBondContact O-N 3.45Å
90R59.2Low71.9Confident200 Ų20063.3 Ų63.376%0.75534%0.342SS*.  trans-80.9113.5169.1-68.1-170.8-175-147.81.7108.2S88 T96S88-R90 PolarHBondContact O-N 3.38Å; R90-T96 WeakPolarHBondContact O-CB 3.5Å; R90-T96 PolarHBondContact O-OG1 3.16Å; R90-T96 VanDerWaalsContact O-OG1 3.09Å
91T55.5Low72.2Confident79 Ų7961.9 Ų61.949%0.48534%0.336SS..  trans-99.7138.4170.157.50000109.3T75 S89T75-T91 HydrophobicContact CG2-CG2 3.92Å; S89-T91 PolarHBondContact O-N 3.45Å
92G54.5Low72.6Confident33 Ų3361.6 Ų61.634%0.3434%0.335SS..  trans-168.7174.4-178.900000111.3Y70Y70-G92 PolarHBondContact OH-O 2.96Å
93P47.8Very low73Confident121 Ų12161.3 Ų61.379%0.78633%0.334SS*.SBendtrans-86.3-13.8176.732.2-33.9000114Y70Y70-P93 WeakPolarHBondContact CE1-O 3.46Å; Y70-P93 WeakPolarHBondContact OH-CA 3.38Å; Y70-P93 PolarHBondContact OH-O 2.83Å
94E53.3Low73.6Confident153 Ų15358.6 Ų58.672%0.71532%0.321SS*.SBendtrans-94.7148.3170.1-64-177.7170.800111.2Y70 T96Y70-E94 WeakPolarHBondContact OH-CA 3.43Å; Y70-E94 PolarHBondContact OH-N 3.13Å; Y70-E94 VanDerWaalsContact OH-N 3.1Å; Y70-E94 PolarHBondContact OH-O 3.1Å; E94-T96 VanDerWaalsContact C-N 3.34Å; E94-T96 WeakPolarHBondContact O-CA 3.28Å; E94-T96 WeakPolarHBondContact O-CG2 3.39Å; E94-T96 PolarHBondContact O-N 3.02Å
95P55.8Low74.2Confident90 Ų9060.1 Ų60.158%0.58432%0.324SS*.  trans-45.990.5-175.718-31.4000113.2Y70Y70-P95 HydrophobicContact CD2-CB 4.39Å; Y70-P95 HydrophobicContact CE2-CB 4.39Å
96T55.3Low74.5Confident51 Ų5153.6 Ų53.631%0.31330%0.295SS..  trans-88.7-27.6-168.444.30000113.2R90 E94R90-T96 WeakPolarHBondContact O-CB 3.5Å; R90-T96 PolarHBondContact O-OG1 3.16Å; R90-T96 VanDerWaalsContact O-OG1 3.09Å; E94-T96 VanDerWaalsContact C-N 3.34Å; E94-T96 WeakPolarHBondContact O-CA 3.28Å; E94-T96 WeakPolarHBondContact O-CG2 3.39Å; E94-T96 PolarHBondContact O-N 3.02Å
97T61.2Low74.9Confident16 Ų1658.2 Ų58.210%0.09833%0.326CS..  trans-107.996.3177.1550000110.4P158T97-P158 VanDerWaalsContact O-CA 3.3Å; T97-P158 WeakPolarHBondContact O-CA 3.31Å; T97-P158 WeakPolarHBondContact O-CB 3.36Å
98D78.6Confident75.5Confident80 Ų8060.4 Ų60.443%0.42834%0.338SS..  trans-983.5171.274-36.2000112.9R138D98-R138 IonicContact OD2-CZ 2.92Å; D98-R138 IonicContact OD2-NE 3.83Å; D98-R138 IonicContact OD2-NH2 2.77Å
99T89.1Confident76.4Confident25 Ų2561.8 Ų61.815%0.15334%0.337CS..SBendtrans-120.9147.7-175.959.60000112.5R138 F140T99-R138 CarbonylContact C-O 3.59Å; T99-R138 WeakPolarHBondContact CA-O 3.36Å; T99-R138 VanDerWaalsContact CB-O 3.27Å; T99-R138 WeakPolarHBondContact CB-O 3.49Å; T99-R138 HydrophobicContact CG2-CB 4.33Å; T99-F140 HydrophobicContact CG2-CD2 4.08Å; T99-F140 HydrophobicContact CG2-CE2 3.69Å
100F94Very high77.4Confident0 Ų063.4 Ų63.40%035%0.348CS..EExtended strand (participates in β ladder)trans-79.7131.9166.6-68.9-90.8000109.9L135 R138 C139 F140 T157 P158 Y172 Y174 V177 L178 F181F100-L135 HydrophobicContact CD2-CD1 3.77Å; F100-L135 HydrophobicContact CE2-CD1 3.64Å; F100-R138 PolarHBondContact N-O 3.18Å; F100-C139 HydrophobicContact CB-CB 4.21Å; F100-C139 CarbonylContact O-C 3.5Å; F100-C139 WeakPolarHBondContact O-CA 3.33Å; F100-F140 PolarHBondContact O-N 2.8Å; F100-T157 HydrophobicContact CD1-CG2 4.07Å; F100-T157 HydrophobicContact CE1-CG2 3.97Å; F100-P158 HydrophobicContact CD2-CG 4.07Å; F100-P158 HydrophobicContact CE2-CG 4.1Å; F100-P158 HydrophobicContact CG-CG 4.31Å; F100-P158 HydrophobicContact CZ-CG 4.35Å; F100-Y172 AromaticContact CE2-CE2 3.66Å; F100-Y172 HydrophobicContact CE2-CE2 3.66Å; F100-Y172 AromaticContact CE2-CZ 3.8Å; F100-Y172 HydrophobicContact CZ-CE2 4.35Å; F100-Y174 HydrophobicContact CE1-CE2 4.04Å; F100-Y174 HydrophobicContact CE2-CD2 4.36Å; F100-Y174 HydrophobicContact CE2-CE2 4.49Å; F100-Y174 AromaticContact CZ-CD2 3.65Å; F100-Y174 HydrophobicContact CZ-CD2 3.65Å; F100-Y174 AromaticContact CZ-CE2 3.57Å; F100-Y174 HydrophobicContact CZ-CE2 3.57Å; F100-V177 HydrophobicContact CE1-CG1 3.94Å; F100-V177 HydrophobicContact CE2-CG1 3.81Å; F100-V177 HydrophobicContact CZ-CB 4.22Å; F100-V177 HydrophobicContact CZ-CG1 3.45Å; F100-V177 VanDerWaalsContact CZ-CG1 3.45Å; F100-L178 HydrophobicContact CE1-CD2 4.29Å; F100-F181 HydrophobicContact CD1-CD2 4.31Å; F100-F181 AromaticContact CD1-CE2 3.72Å; F100-F181 HydrophobicContact CD1-CE2 3.72Å; F100-F181 HydrophobicContact CE1-CD2 4.22Å; F100-F181 AromaticContact CE1-CE2 3.98Å; F100-F181 HydrophobicContact CE1-CE2 3.98Å; F100-F181 HydrophobicContact CG-CE2 4.23Å
101C94.2Very high78.9Confident3 Ų356.9 Ų56.92%0.0233%0.326CS..EExtended strand (participates in β ladder)trans-121.6112-179-690000109.8Y86 L103 F140 I142 I155 D156Y86-C101 HydrophobicContact CE2-CB 4.37Å; C101-L103 HydrophobicContact CB-CD2 4.37Å; C101-F140 CarbonylContact C-O 3.26Å; C101-F140 WeakPolarHBondContact CA-O 3.19Å; C101-I142 HydrophobicContact CB-CD1 3.89Å; C101-I155 CarbonylContact O-C 3.57Å; C101-I155 WeakPolarHBondContact O-CA 3.32Å; C101-D156 HydrophobicContact CB-CB 4.13Å; C101-D156 PolarHBondContact N-O 3.21Å; C101-D156 PolarHBondContact O-N 3.21Å
102I96Very high80.7Confident4 Ų456.2 Ų56.22%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-95103.1177-56.3171.8000107.7F123 Y125 L128 F140 T141 I142 I155 F181I102-F123 HydrophobicContact CD1-CE2 3.94Å; I102-F123 HydrophobicContact CD1-CZ 3.84Å; I102-Y125 HydrophobicContact CD1-CD2 3.74Å; I102-Y125 HydrophobicContact CD1-CE2 4.19Å; I102-Y125 HydrophobicContact CD1-CG 4.33Å; I102-Y125 HydrophobicContact CG2-CD2 4.32Å; I102-Y125 HydrophobicContact CG2-CE2 3.81Å; I102-L128 HydrophobicContact CD1-CD1 4.35Å; I102-F140 PolarHBondContact N-O 2.94Å; I102-T141 CarbonylContact O-C 3.54Å; I102-T141 WeakPolarHBondContact O-CA 3.38Å; I102-I142 PolarHBondContact O-N 3.5Å; I102-I155 HydrophobicContact CG1-CG1 4.4Å; I102-I155 HydrophobicContact CG1-CG2 4.42Å; I102-I155 HydrophobicContact CG2-CG1 4.46Å; I102-F181 HydrophobicContact CD1-CE1 4.25Å; I102-F181 HydrophobicContact CD1-CZ 4.36Å
103L95.5Very high82.4Confident1 Ų156.7 Ų56.71%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-87.7124.7-179.8-49.8-174.2000110I78 L82 Y86 C101 I142 L149 S153 I154I78-L103 HydrophobicContact CG2-CD1 3.5Å; I78-L103 VanDerWaalsContact CG2-CD1 3.5Å; L82-L103 HydrophobicContact CD1-CD1 3.82Å; Y86-L103 HydrophobicContact CD1-CD1 3.69Å; Y86-L103 HydrophobicContact CD1-CD2 4.35Å; Y86-L103 HydrophobicContact CD2-CD2 3.72Å; Y86-L103 HydrophobicContact CE1-CD1 3.93Å; Y86-L103 HydrophobicContact CE2-CD2 4.06Å; Y86-L103 HydrophobicContact CG-CD1 4.03Å; Y86-L103 HydrophobicContact CG-CD2 3.91Å; C101-L103 HydrophobicContact CB-CD2 4.37Å; L103-I142 WeakPolarHBondContact CA-O 3.44Å; L103-I142 HydrophobicContact CD2-CB 3.69Å; L103-I142 HydrophobicContact CD2-CD1 3.88Å; L103-I142 HydrophobicContact CD2-CG1 4.38Å; L103-I142 HydrophobicContact CD2-CG2 4.04Å; L103-L149 HydrophobicContact CB-CD1 4.38Å; L103-L149 HydrophobicContact CB-CD2 4.13Å; L103-S153 WeakPolarHBondContact O-CA 3.02Å; L103-I154 WeakPolarHBondContact CA-O 3.25Å; L103-I154 HydrophobicContact CB-CB 4.28Å; L103-I154 WeakPolarHBondContact CB-O 3.26Å; L103-I154 HydrophobicContact CD1-CB 4.38Å; L103-I154 HydrophobicContact CD1-CG2 4.5Å; L103-I154 PolarHBondContact N-O 3.24Å; L103-I154 PolarHBondContact O-N 3.05Å; L103-I154 VanDerWaalsContact O-N 3.08Å
104S94.3Very high84.5Confident26 Ų2651 Ų5118%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-139.7163.2179.856.60000110.9I142 T143 C144S104-I142 PolarHBondContact N-O 3.34Å; S104-T143 VanDerWaalsContact O-CA 3.3Å; S104-T143 WeakPolarHBondContact O-CA 3.39Å; S104-C144 PolarHBondContact O-N 3.36Å; S104-C144 VanDerWaalsContact O-N 3.16Å
105Y93.4Very high86.4Confident89 Ų8945.6 Ų45.635%0.34926%0.257SS..EExtended strand (participates in β ladder)trans-71.2136176.4179.1-106.4000111.6C146 L149 R150Y105-C146 WeakPolarHBondContact CD2-O 3.49Å; Y105-L149 WeakPolarHBondContact CB-O 3.43Å; Y105-R150 HydrophobicContact CD1-CG 3.81Å; Y105-R150 HydrophobicContact CD2-CG 3.45Å; Y105-R150 VanDerWaalsContact CD2-CG 3.45Å; Y105-R150 HydrophobicContact CE1-CG 4.06Å; Y105-R150 HydrophobicContact CE2-CG 3.73Å; Y105-R150 HydrophobicContact CG-CB 4.47Å; Y105-R150 HydrophobicContact CG-CG 3.51Å; Y105-R150 PolarHBondContact OH-NE 3.45Å; Y105-R150 PolarHBondContact OH-NH2 3.15Å
106G91.2Very high88.1Confident5 Ų545.3 Ų45.35%0.05225%0.253CS..  trans-151.5163.6164.200000111.6D108 C144 P145G106-D108 VanDerWaalsContact C-N 3.26Å; G106-D108 PolarHBondContact O-N 3.06Å; G106-C144 PolarHBondContact N-O 2.91Å; G106-C144 VanDerWaalsContact N-O 3.15Å; G106-C144 CarbonylContact O-C 3.55Å; G106-P145 WeakPolarHBondContact O-CA 3.44Å; G106-P145 VanDerWaalsContact O-N 3.13Å
107P89.1Confident89.8Confident102 Ų10244 Ų4466%0.66224%0.244SC*.SBendtrans-66.3-31.4-179.527.6-34.3000112.3
108D88.4Confident91.2Very high115 Ų11544.5 Ų44.562%0.61525%0.246SC*.SBendtrans-124.6155.5-175.6-60.5-58.3000111G106 C110 T143G106-D108 VanDerWaalsContact C-N 3.26Å; G106-D108 PolarHBondContact O-N 3.06Å; D108-C110 PolarHBondContact O-N 2.91Å; D108-C110 VanDerWaalsContact O-N 3.14Å; D108-T143 CarbonylContact O-C 3.57Å; D108-T143 PolarHBondContact O-OG1 2.93Å
109H89.4Confident91.7Very high90 Ų9047.4 Ų47.442%0.41726%0.261SS..  trans-68.1105.5167.7-71.7-73.1000109.8M84 L87 T143 C144M84-H109 WeakPolarHBondContact CE-CE1 3.43Å; L87-H109 HydrophobicContact CD1-CB 3.98Å; L87-H109 HydrophobicContact CG-CB 4.36Å; H109-T143 VanDerWaalsContact CA-O 3.32Å; H109-T143 WeakPolarHBondContact CA-O 3.5Å; H109-C144 PolarHBondContact ND1-SG 3.25Å
110C90.7Very high91.8Very high49 Ų4949.2 Ų49.233%0.33127%0.27SS..EExtended strand (participates in β ladder)trans-132.9144.6178.9-162.90000110.2D108 I142 T143D108-C110 PolarHBondContact O-N 2.91Å; D108-C110 VanDerWaalsContact O-N 3.14Å; C110-I142 CarbonylContact O-C 3.54Å; C110-I142 VanDerWaalsContact O-CA 3.3Å; C110-I142 WeakPolarHBondContact O-CA 3.36Å; C110-T143 VanDerWaalsContact CB-OG1 3.23Å; C110-T143 WeakPolarHBondContact CB-OG1 3.44Å; C110-T143 PolarHBondContact N-O 3.44Å; C110-T143 PolarHBondContact N-OG1 3.26Å; C110-T143 PolarHBondContact O-N 2.83Å
111Q90.6Very high91.6Very high63 Ų6356.1 Ų56.129%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-124.4118171.4178.9176.7-15.700108.1L87 S88 F140 I142L87-Q111 HydrophobicContact CD1-CB 4.34Å; S88-Q111 PolarHBondContact OG-NE2 3.47Å; S88-Q111 PolarHBondContact OG-OE1 2.77Å; Q111-F140 HydrophobicContact CG-CB 4.1Å; Q111-F140 HydrophobicContact CG-CD1 3.86Å; Q111-F140 HydrophobicContact CG-CG 4.22Å; Q111-F140 VanDerWaalsContact NE2-CD1 3.27Å; Q111-I142 HydrophobicContact CB-CG1 4.27Å; Q111-I142 HydrophobicContact CG-CG1 4Å
112L91.5Very high91.4Very high65 Ų6564.2 Ų64.234%0.3434%0.341SS..EExtended strand (participates in β ladder)trans-119.6131.9179.5-64176.5000109.5M117 F140 T141L112-M117 HydrophobicContact CB-CG 4.28Å; L112-M117 HydrophobicContact CB-SD 4.14Å; L112-M117 HydrophobicContact CD1-SD 3.79Å; L112-F140 CarbonylContact O-C 3.46Å; L112-F140 WeakPolarHBondContact O-CA 3.41Å; L112-T141 PolarHBondContact N-O 2.82Å; L112-T141 PolarHBondContact O-N 2.69Å
113P91.3Very high91.2Very high43 Ų4364.3 Ų64.328%0.27934%0.342SS..EExtended strand (participates in β ladder)trans-62.3145.8171.8-20.331.8000111.5T115 T116 M117 F140P113-T115 WeakPolarHBondContact CB-OG1 3.47Å; P113-T115 PolarHBondContact O-N 2.92Å; P113-T115 VanDerWaalsContact O-N 3.15Å; P113-T116 WeakPolarHBondContact O-CB 3.32Å; P113-T116 PolarHBondContact O-N 3.39Å; P113-M117 PolarHBondContact O-N 3.45Å; P113-F140 HydrophobicContact CB-CD1 4.33Å; P113-F140 HydrophobicContact CB-CE1 4.22Å; P113-F140 HydrophobicContact CG-CD1 4.31Å; P113-F140 HydrophobicContact CG-CE1 4.04Å
114A92.3Very high91.1Very high0 Ų064.9 Ų64.90%035%0.345CS..Hα-helixtrans-59.7-27.7177.600000112.4T116 M117 I118 L136 C139A114-T116 PolarHBondContact O-N 3.39Å; A114-M117 PolarHBondContact O-N 3.14Å; A114-M117 VanDerWaalsContact O-N 3.07Å; A114-I118 VanDerWaalsContact O-CG1 3.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.5Å; A114-I118 PolarHBondContact O-N 2.97Å; A114-L136 HydrophobicContact CB-CD2 4.21Å; A114-C139 HydrophobicContact CB-CB 3.74Å; A114-C139 VanDerWaalsContact CB-O 3.29Å; A114-C139 WeakPolarHBondContact CB-O 3.46Å; A114-C139 PolarHBondContact N-O 3.16Å
115T92.1Very high91.1Very high41 Ų4164.1 Ų64.125%0.25234%0.338SS..Hα-helixtrans-54.1-33.7172.154.80000113.1P113 L136P113-T115 WeakPolarHBondContact CB-OG1 3.47Å; P113-T115 PolarHBondContact O-N 2.92Å; P113-T115 VanDerWaalsContact O-N 3.15Å; T115-L136 HydrophobicContact CG2-CB 3.4Å; T115-L136 HydrophobicContact CG2-CD1 4.23Å; T115-L136 HydrophobicContact CG2-CG 4.45Å
116T91.5Very high91.1Very high83 Ų8362.2 Ų62.251%0.50933%0.333SS..Hα-helixtrans-81.9-35.3178.3-52.20000110.9P113 A114P113-T116 WeakPolarHBondContact O-CB 3.32Å; P113-T116 PolarHBondContact O-N 3.39Å; A114-T116 PolarHBondContact O-N 3.39Å
117M91.9Very high91Very high24 Ų2462.6 Ų62.612%0.11834%0.337CS..Hα-helixtrans-78.8-22-175.6-62.6-58.1-61.700114.3L112 P113 A114 N119 D120 F123 T141L112-M117 HydrophobicContact CB-CG 4.28Å; L112-M117 HydrophobicContact CB-SD 4.14Å; L112-M117 HydrophobicContact CD1-SD 3.79Å; P113-M117 PolarHBondContact O-N 3.45Å; A114-M117 PolarHBondContact O-N 3.14Å; A114-M117 VanDerWaalsContact O-N 3.07Å; M117-N119 PolarHBondContact O-N 2.92Å; M117-N119 VanDerWaalsContact O-N 3.11Å; M117-D120 HydrophobicContact CE-CB 4.27Å; M117-D120 WeakPolarHBondContact O-CB 3.45Å; M117-D120 PolarHBondContact O-N 3.37Å; M117-F123 HydrophobicContact CB-CB 4.48Å; M117-F123 HydrophobicContact CB-CD1 4.03Å; M117-F123 HydrophobicContact CB-CD2 3.89Å; M117-F123 HydrophobicContact CB-CE1 4.14Å; M117-F123 HydrophobicContact CB-CE2 4.02Å; M117-F123 HydrophobicContact CB-CG 3.89Å; M117-F123 HydrophobicContact CB-CZ 4.13Å; M117-F123 HydrophobicContact CE-CB 4.47Å; M117-F123 HydrophobicContact CE-CD2 4.18Å; M117-F123 WeakPolarHBondContact O-CB 3.42Å; M117-F123 WeakPolarHBondContact O-CD1 3.32Å; M117-T141 HydrophobicContact CE-CG2 4.43Å
118I90.9Very high91.2Very high27 Ų2757.7 Ų57.714%0.13831%0.305CS..THydrogen-bonded Turntrans-55.1-33.1179.9-77159.1000112.8A114 D120 Q126 L136A114-I118 VanDerWaalsContact O-CG1 3.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.5Å; A114-I118 PolarHBondContact O-N 2.97Å; I118-D120 VanDerWaalsContact C-N 3.34Å; I118-Q126 WeakPolarHBondContact O-CG 3.27Å; I118-L136 HydrophobicContact CD1-CD1 3.32Å; I118-L136 HydrophobicContact CD1-CD2 3.36Å; I118-L136 HydrophobicContact CD1-CG 3.92Å; I118-L136 HydrophobicContact CG1-CD2 4.29Å
119N88.4Confident91.4Very high140 Ų14055 Ų5575%0.74930%0.295SS*.THydrogen-bonded Turntrans-85.4-8.3-179.8-63.3-35.9000113M117M117-N119 PolarHBondContact O-N 2.92Å; M117-N119 VanDerWaalsContact O-N 3.11Å
120D91.8Very high91.5Very high63 Ų6359.3 Ų59.334%0.33731%0.308SS..  trans-75.3126.9176.2-172.4-2.9000109.8M117 I118 K122 F123 Q126M117-D120 HydrophobicContact CE-CB 4.27Å; M117-D120 WeakPolarHBondContact O-CB 3.45Å; M117-D120 PolarHBondContact O-N 3.37Å; I118-D120 VanDerWaalsContact C-N 3.34Å; D120-K122 PolarHBondContact O-N 3.17Å; D120-K122 PolarHBondContact OD1-N 2.64Å; D120-F123 HydrophobicContact CB-CB 4.1Å; D120-F123 WeakPolarHBondContact O-CB 3.44Å; D120-F123 PolarHBondContact O-N 2.68Å; D120-Q126 PolarHBondContact O-NE2 2.74Å
121L89Confident91.5Very high146 Ų14659.4 Ų59.476%0.76430%0.303SS*.THydrogen-bonded Turntrans-67.4-19.9177.9-65.3175.2000112.7A56A56-L121 WeakPolarHBondContact CB-O 3.33Å
122K89.6Confident91.5Very high173 Ų17357.9 Ų57.975%0.75230%0.304SS*.THydrogen-bonded Turntrans-88.1-8.4176.8-66.7-176.8178.4-1790113.3D120 P124D120-K122 PolarHBondContact O-N 3.17Å; D120-K122 PolarHBondContact OD1-N 2.64Å; K122-P124 WeakPolarHBondContact O-CD 3.29Å
123F93.3Very high91.5Very high6 Ų660.5 Ų60.53%0.02631%0.314CS..  trans-86.4113.1-178.7-173.5-114.6000110.1I102 M117 D120 Y125 Q126 L128 T141I102-F123 HydrophobicContact CD1-CE2 3.94Å; I102-F123 HydrophobicContact CD1-CZ 3.84Å; M117-F123 HydrophobicContact CB-CB 4.48Å; M117-F123 HydrophobicContact CB-CD1 4.03Å; M117-F123 HydrophobicContact CB-CD2 3.89Å; M117-F123 HydrophobicContact CB-CE1 4.14Å; M117-F123 HydrophobicContact CB-CE2 4.02Å; M117-F123 HydrophobicContact CB-CG 3.89Å; M117-F123 HydrophobicContact CB-CZ 4.13Å; M117-F123 HydrophobicContact CE-CB 4.47Å; M117-F123 HydrophobicContact CE-CD2 4.18Å; M117-F123 WeakPolarHBondContact O-CB 3.42Å; M117-F123 WeakPolarHBondContact O-CD1 3.32Å; D120-F123 HydrophobicContact CB-CB 4.1Å; D120-F123 WeakPolarHBondContact O-CB 3.44Å; D120-F123 PolarHBondContact O-N 2.68Å; F123-Y125 HydrophobicContact CD2-CD2 4.22Å; F123-Y125 HydrophobicContact CE1-CD2 4.5Å; F123-Y125 WeakPolarHBondContact CE1-O 3.47Å; F123-Y125 AromaticContact CE2-CD2 3.7Å; F123-Y125 HydrophobicContact CE2-CD2 3.7Å; F123-Y125 AromaticContact CZ-CD2 3.87Å; F123-Y125 HydrophobicContact CZ-CD2 3.87Å; F123-Y125 HydrophobicContact CZ-CG 4.28Å; F123-Y125 PolarHBondContact O-N 2.89Å; F123-Q126 HydrophobicContact CD1-CG 4.45Å; F123-Q126 VanDerWaalsContact O-CG 3.32Å; F123-Q126 WeakPolarHBondContact O-CG 3.45Å; F123-L128 HydrophobicContact CE1-CD1 4.38Å; F123-L128 HydrophobicContact CZ-CD1 4.23Å; F123-T141 WeakPolarHBondContact CE2-OG1 3.37Å
124P92.9Very high91.4Very high13 Ų1360.4 Ų60.48%0.08432%0.317CS..THydrogen-bonded Turntrans-79.3-3-174.832.5-34.9000113.4A56 E57 C60 K122A56-P124 HydrophobicContact CB-CB 3.96Å; E57-P124 HydrophobicContact CG-CB 3.97Å; C60-P124 HydrophobicContact CB-CG 4.19Å; K122-P124 WeakPolarHBondContact O-CD 3.29Å
125Y94.7Very high91.4Very high9 Ų960.4 Ų60.44%0.03532%0.317CS..THydrogen-bonded Turntrans-106.832.9-174.5-45-73.1000113.5A63 I102 F123 G127 L128 I155 Y180 F181 K184A63-Y125 VanDerWaalsContact CB-OH 3.29Å; A63-Y125 WeakPolarHBondContact CB-OH 3.43Å; I102-Y125 HydrophobicContact CD1-CD2 3.74Å; I102-Y125 HydrophobicContact CD1-CE2 4.19Å; I102-Y125 HydrophobicContact CD1-CG 4.33Å; I102-Y125 HydrophobicContact CG2-CD2 4.32Å; I102-Y125 HydrophobicContact CG2-CE2 3.81Å; F123-Y125 HydrophobicContact CD2-CD2 4.22Å; F123-Y125 HydrophobicContact CE1-CD2 4.5Å; F123-Y125 WeakPolarHBondContact CE1-O 3.47Å; F123-Y125 AromaticContact CE2-CD2 3.7Å; F123-Y125 HydrophobicContact CE2-CD2 3.7Å; F123-Y125 AromaticContact CZ-CD2 3.87Å; F123-Y125 HydrophobicContact CZ-CD2 3.87Å; F123-Y125 HydrophobicContact CZ-CG 4.28Å; F123-Y125 PolarHBondContact O-N 2.89Å; Y125-G127 PolarHBondContact O-N 3.36Å; Y125-G127 VanDerWaalsContact O-N 3.13Å; Y125-L128 WeakPolarHBondContact O-CB 3.26Å; Y125-L128 VanDerWaalsContact O-CG 3.25Å; Y125-L128 WeakPolarHBondContact O-CG 3.03Å; Y125-L128 PolarHBondContact O-N 2.95Å; Y125-I155 HydrophobicContact CE1-CD1 4.06Å; Y125-I155 HydrophobicContact CE2-CD1 4.47Å; Y125-Y180 VanDerWaalsContact C-OH 3.31Å; Y125-Y180 VanDerWaalsContact CA-OH 3.27Å; Y125-Y180 WeakPolarHBondContact CA-OH 3.29Å; Y125-F181 HydrophobicContact CD1-CD1 4.16Å; Y125-F181 HydrophobicContact CD1-CE1 4.01Å; Y125-F181 HydrophobicContact CE1-CD1 4.29Å; Y125-F181 HydrophobicContact CE1-CE1 4.4Å; Y125-F181 HydrophobicContact CG-CE1 4.25Å; Y125-K184 HydrophobicContact CD1-CB 4.28Å; Y125-K184 HydrophobicContact CE1-CB 4.08Å
126Q92Very high91.4Very high49 Ų4958.6 Ų58.623%0.22931%0.306CS..G310 helixtrans-60.2-24.8180-57.7-178.2-14.900112.8L54 I118 D120 F123 L128 S129L54-Q126 HydrophobicContact CD1-CB 4Å; L54-Q126 HydrophobicContact CD1-CG 4.13Å; I118-Q126 WeakPolarHBondContact O-CG 3.27Å; D120-Q126 PolarHBondContact O-NE2 2.74Å; F123-Q126 HydrophobicContact CD1-CG 4.45Å; F123-Q126 VanDerWaalsContact O-CG 3.32Å; F123-Q126 WeakPolarHBondContact O-CG 3.45Å; Q126-L128 PolarHBondContact O-N 2.86Å; Q126-L128 VanDerWaalsContact O-N 3.16Å; Q126-S129 WeakPolarHBondContact O-CB 3.34Å; Q126-S129 PolarHBondContact O-N 2.97Å; Q126-S129 PolarHBondContact O-OG 3.16Å
127G90.7Very high91.3Very high13 Ų1359.3 Ų59.313%0.13431%0.306CS..G310 helixtrans-61.7-17.117500000114.2Y125 S129 R130 Y180Y125-G127 PolarHBondContact O-N 3.36Å; Y125-G127 VanDerWaalsContact O-N 3.13Å; G127-S129 PolarHBondContact O-N 2.95Å; G127-S129 VanDerWaalsContact O-N 3.09Å; G127-R130 WeakPolarHBondContact O-CB 3.11Å; G127-R130 WeakPolarHBondContact O-CG 3.15Å; G127-R130 PolarHBondContact O-N 3.36Å; G127-R130 VanDerWaalsContact O-N 3.1Å; G127-Y180 WeakPolarHBondContact CA-OH 3.01Å; G127-Y180 PolarHBondContact N-OH 3.25Å
128L93Very high91.3Very high0 Ų061.8 Ų61.80%031%0.314CS..G310 helixtrans-57.6-24.2173.4-69.8172.8000113.1I102 F123 Y125 Q126 R130 F131 L135 L136 Y180 F181I102-L128 HydrophobicContact CD1-CD1 4.35Å; F123-L128 HydrophobicContact CE1-CD1 4.38Å; F123-L128 HydrophobicContact CZ-CD1 4.23Å; Y125-L128 WeakPolarHBondContact O-CB 3.26Å; Y125-L128 VanDerWaalsContact O-CG 3.25Å; Y125-L128 WeakPolarHBondContact O-CG 3.03Å; Y125-L128 PolarHBondContact O-N 2.95Å; Q126-L128 PolarHBondContact O-N 2.86Å; Q126-L128 VanDerWaalsContact O-N 3.16Å; L128-R130 PolarHBondContact O-N 2.84Å; L128-R130 VanDerWaalsContact O-N 3.13Å; L128-F131 HydrophobicContact CD2-CD2 4.34Å; L128-F131 HydrophobicContact CD2-CE2 4.43Å; L128-F131 PolarHBondContact O-N 3.11Å; L128-L135 HydrophobicContact CD2-CD2 4.01Å; L128-L136 HydrophobicContact CB-CD2 3.82Å; L128-Y180 HydrophobicContact CD2-CD1 3.64Å; L128-Y180 HydrophobicContact CD2-CE1 3.51Å; L128-Y180 HydrophobicContact CG-CD1 4.3Å; L128-Y180 HydrophobicContact CG-CE1 3.65Å; L128-F181 HydrophobicContact CD1-CE1 4.35Å; L128-F181 HydrophobicContact CD1-CZ 4.03Å; L128-F181 HydrophobicContact CD2-CE1 4.27Å; L128-F181 HydrophobicContact CD2-CE2 4.08Å; L128-F181 HydrophobicContact CD2-CZ 3.73Å; L128-F181 HydrophobicContact CG-CZ 4.44Å
129S91.6Very high91.4Very high59 Ų5960.6 Ų60.641%0.41331%0.308SS..G310 helixtrans-55.2-27.9175.356.60000113.8Q126 G127 F131 G132Q126-S129 WeakPolarHBondContact O-CB 3.34Å; Q126-S129 PolarHBondContact O-N 2.97Å; Q126-S129 PolarHBondContact O-OG 3.16Å; G127-S129 PolarHBondContact O-N 2.95Å; G127-S129 VanDerWaalsContact O-N 3.09Å; S129-F131 VanDerWaalsContact C-N 3.27Å; S129-F131 PolarHBondContact O-N 3.47Å; S129-G132 PolarHBondContact O-N 2.79Å
130R90.9Very high91.6Very high179 Ų17955.7 Ų55.768%0.67528%0.28SS*.G310 helixtrans-66.4-25.9-179.2-62.9177.1-179.5-168.1-1.8113.5G127 L128 G132G127-R130 WeakPolarHBondContact O-CB 3.11Å; G127-R130 WeakPolarHBondContact O-CG 3.15Å; G127-R130 PolarHBondContact O-N 3.36Å; G127-R130 VanDerWaalsContact O-N 3.1Å; L128-R130 PolarHBondContact O-N 2.84Å; L128-R130 VanDerWaalsContact O-N 3.13Å; R130-G132 VanDerWaalsContact C-N 3.27Å; R130-G132 PolarHBondContact O-N 3.13Å
131F92.3Very high91.7Very high52 Ų5253 Ų5323%0.22827%0.266CS..G310 helixtrans-84.1-2.2179.3-59.2-76.5000113.5L128 S129 L135 L176 V177 Y180L128-F131 HydrophobicContact CD2-CD2 4.34Å; L128-F131 HydrophobicContact CD2-CE2 4.43Å; L128-F131 PolarHBondContact O-N 3.11Å; S129-F131 VanDerWaalsContact C-N 3.27Å; S129-F131 PolarHBondContact O-N 3.47Å; F131-L135 HydrophobicContact CB-CB 3.94Å; F131-L135 HydrophobicContact CB-CD2 3.38Å; F131-L135 HydrophobicContact CB-CG 4.3Å; F131-L135 HydrophobicContact CD2-CD2 3.6Å; F131-L135 HydrophobicContact CG-CD2 3.63Å; F131-L176 HydrophobicContact CE1-CB 3.77Å; F131-V177 HydrophobicContact CB-CG2 4.42Å; F131-V177 HydrophobicContact CD1-CG2 3.57Å; F131-V177 HydrophobicContact CD2-CG2 4Å; F131-V177 HydrophobicContact CE1-CG2 3.7Å; F131-V177 HydrophobicContact CE2-CG2 4.12Å; F131-V177 HydrophobicContact CG-CG2 3.73Å; F131-V177 HydrophobicContact CZ-CG2 3.98Å; F131-Y180 HydrophobicContact CE2-CD1 4.12Å; F131-Y180 HydrophobicContact CE2-CD2 4.42Å; F131-Y180 AromaticContact CE2-CG 3.84Å; F131-Y180 HydrophobicContact CE2-CG 3.84Å; F131-Y180 HydrophobicContact CZ-CG 4.21Å
132G91Very high91.9Very high30 Ų3046 Ų4631%0.30923%0.23SC..  trans80.9173.4175.900000114.8S129 R130 A134 L135 L136S129-G132 PolarHBondContact O-N 2.79Å; R130-G132 VanDerWaalsContact C-N 3.27Å; R130-G132 PolarHBondContact O-N 3.13Å; G132-A134 PolarHBondContact O-N 3.46Å; G132-L135 PolarHBondContact O-N 2.57Å; G132-L136 WeakPolarHBondContact O-CG 3.47Å; G132-L136 PolarHBondContact O-N 3.24Å
133Q90.6Very high92.1Very high121 Ų12139.2 Ų39.257%0.56520%0.203SC*.Hα-helixtrans-62.5-26.3-172.2-66.5-62.7-27.700113.8L135 L136 N137Q133-L135 PolarHBondContact O-N 2.99Å; Q133-L136 PolarHBondContact O-N 3.24Å; Q133-N137 WeakPolarHBondContact O-CB 3.4Å; Q133-N137 VanDerWaalsContact O-CG 3.28Å; Q133-N137 PolarHBondContact O-N 3.09Å; Q133-N137 PolarHBondContact O-ND2 3.05Å
134A89.5Confident91.9Very high40 Ų4039 Ų3933%0.33120%0.202SC..Hα-helixtrans-64.6-38.9-179.900000112.8G132 P171G132-A134 PolarHBondContact O-N 3.46Å; A134-P171 HydrophobicContact CB-CB 3.86Å; A134-P171 HydrophobicContact CB-CG 3.96Å
135L92.4Very high91.7Very high1 Ų141 Ų411%0.00521%0.214CC..Hα-helixtrans-73.3-45.1172.4177.468.5000111F100 L128 F131 G132 Q133 N137 R138 C139 Y172 V177F100-L135 HydrophobicContact CD2-CD1 3.77Å; F100-L135 HydrophobicContact CE2-CD1 3.64Å; L128-L135 HydrophobicContact CD2-CD2 4.01Å; F131-L135 HydrophobicContact CB-CB 3.94Å; F131-L135 HydrophobicContact CB-CD2 3.38Å; F131-L135 HydrophobicContact CB-CG 4.3Å; F131-L135 HydrophobicContact CD2-CD2 3.6Å; F131-L135 HydrophobicContact CG-CD2 3.63Å; G132-L135 PolarHBondContact O-N 2.57Å; Q133-L135 PolarHBondContact O-N 2.99Å; L135-N137 PolarHBondContact O-N 3.16Å; L135-R138 CarbonylContact O-C 3.59Å; L135-R138 VanDerWaalsContact O-C 3.26Å; L135-R138 WeakPolarHBondContact O-CA 3.39Å; L135-R138 PolarHBondContact O-N 3.13Å; L135-C139 PolarHBondContact O-N 2.66Å; L135-Y172 HydrophobicContact CB-CD1 4.14Å; L135-Y172 HydrophobicContact CB-CG 4.11Å; L135-Y172 HydrophobicContact CD1-CD1 3.86Å; L135-Y172 HydrophobicContact CD1-CD2 3.76Å; L135-Y172 HydrophobicContact CD1-CE1 3.94Å; L135-Y172 HydrophobicContact CD1-CE2 3.83Å; L135-Y172 HydrophobicContact CD1-CG 3.79Å; L135-V177 HydrophobicContact CD1-CG1 4.2Å; L135-V177 HydrophobicContact CD1-CG2 4.09Å; L135-V177 HydrophobicContact CD2-CB 4.45Å; L135-V177 HydrophobicContact CD2-CG1 4.02Å; L135-V177 HydrophobicContact CD2-CG2 3.48Å; L135-V177 VanDerWaalsContact CD2-CG2 3.48Å; L135-V177 HydrophobicContact CG-CG2 4.39Å
136L91.7Very high91.3Very high3 Ų340.8 Ų40.82%0.01622%0.215CC..Hα-helixtrans-61.7-32.7-174.3-61.9174.6000113A114 T115 I118 L128 G132 Q133 R138 C139A114-L136 HydrophobicContact CB-CD2 4.21Å; T115-L136 HydrophobicContact CG2-CB 3.4Å; T115-L136 HydrophobicContact CG2-CD1 4.23Å; T115-L136 HydrophobicContact CG2-CG 4.45Å; I118-L136 HydrophobicContact CD1-CD1 3.32Å; I118-L136 HydrophobicContact CD1-CD2 3.36Å; I118-L136 HydrophobicContact CD1-CG 3.92Å; I118-L136 HydrophobicContact CG1-CD2 4.29Å; L128-L136 HydrophobicContact CB-CD2 3.82Å; G132-L136 WeakPolarHBondContact O-CG 3.47Å; G132-L136 PolarHBondContact O-N 3.24Å; Q133-L136 PolarHBondContact O-N 3.24Å; L136-R138 PolarHBondContact O-N 2.8Å; L136-C139 PolarHBondContact O-N 3.21Å
137N89.9Confident90.9Very high97 Ų9741.1 Ų41.152%0.51922%0.221SC..THydrogen-bonded Turntrans-73.7-12.6173.5-70.1-24.4000113.5Q133 L135Q133-N137 WeakPolarHBondContact O-CB 3.4Å; Q133-N137 VanDerWaalsContact O-CG 3.28Å; Q133-N137 PolarHBondContact O-N 3.09Å; Q133-N137 PolarHBondContact O-ND2 3.05Å; L135-N137 PolarHBondContact O-N 3.16Å
138R90.7Very high90.7Very high77 Ų7740.6 Ų40.629%0.29122%0.215SC..THydrogen-bonded Turntrans-112.614.8175.7-71-173.9167.2-169.70.5112.5D98 T99 F100 L135 L136 Y172D98-R138 IonicContact OD2-CZ 2.92Å; D98-R138 IonicContact OD2-NE 3.83Å; D98-R138 IonicContact OD2-NH2 2.77Å; T99-R138 CarbonylContact C-O 3.59Å; T99-R138 WeakPolarHBondContact CA-O 3.36Å; T99-R138 VanDerWaalsContact CB-O 3.27Å; T99-R138 WeakPolarHBondContact CB-O 3.49Å; T99-R138 HydrophobicContact CG2-CB 4.33Å; F100-R138 PolarHBondContact N-O 3.18Å; L135-R138 CarbonylContact O-C 3.59Å; L135-R138 VanDerWaalsContact O-C 3.26Å; L135-R138 WeakPolarHBondContact O-CA 3.39Å; L135-R138 PolarHBondContact O-N 3.13Å; L136-R138 PolarHBondContact O-N 2.8Å; R138-Y172 HydrophobicContact CB-CE1 4.28Å
139C93.5Very high90.6Very high1 Ų140.7 Ų40.71%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-123.3125.7174.3-174.90000108.3F100 A114 L135 L136F100-C139 HydrophobicContact CB-CB 4.21Å; F100-C139 CarbonylContact O-C 3.5Å; F100-C139 WeakPolarHBondContact O-CA 3.33Å; A114-C139 HydrophobicContact CB-CB 3.74Å; A114-C139 VanDerWaalsContact CB-O 3.29Å; A114-C139 WeakPolarHBondContact CB-O 3.46Å; A114-C139 PolarHBondContact N-O 3.16Å; L135-C139 PolarHBondContact O-N 2.66Å; L136-C139 PolarHBondContact O-N 3.21Å
140F93.5Very high90.4Very high38 Ų3845.1 Ų45.117%0.16722%0.223CC..EExtended strand (participates in β ladder)trans-124.4139.3-177.6-64.7-85.9000110T99 F100 C101 I102 Q111 L112 P113T99-F140 HydrophobicContact CG2-CD2 4.08Å; T99-F140 HydrophobicContact CG2-CE2 3.69Å; F100-F140 PolarHBondContact O-N 2.8Å; C101-F140 CarbonylContact C-O 3.26Å; C101-F140 WeakPolarHBondContact CA-O 3.19Å; I102-F140 PolarHBondContact N-O 2.94Å; Q111-F140 HydrophobicContact CG-CB 4.1Å; Q111-F140 HydrophobicContact CG-CD1 3.86Å; Q111-F140 HydrophobicContact CG-CG 4.22Å; Q111-F140 VanDerWaalsContact NE2-CD1 3.27Å; L112-F140 CarbonylContact O-C 3.46Å; L112-F140 WeakPolarHBondContact O-CA 3.41Å; P113-F140 HydrophobicContact CB-CD1 4.33Å; P113-F140 HydrophobicContact CB-CE1 4.22Å; P113-F140 HydrophobicContact CG-CD1 4.31Å; P113-F140 HydrophobicContact CG-CE1 4.04Å
141T93.5Very high90.3Very high6 Ų638.8 Ų38.84%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-95.5123.7164.7-570000108I102 L112 M117 F123I102-T141 CarbonylContact O-C 3.54Å; I102-T141 WeakPolarHBondContact O-CA 3.38Å; L112-T141 PolarHBondContact N-O 2.82Å; L112-T141 PolarHBondContact O-N 2.69Å; M117-T141 HydrophobicContact CE-CG2 4.43Å; F123-T141 WeakPolarHBondContact CE2-OG1 3.37Å
142I93.9Very high90.4Very high0 Ų036.4 Ų36.40%019%0.191CC..EExtended strand (participates in β ladder)trans-114.6124179.6-63.3157.5000107.2Y86 L87 C101 I102 L103 S104 C110 Q111Y86-I142 HydrophobicContact CD2-CD1 3.83Å; Y86-I142 HydrophobicContact CE2-CD1 3.96Å; L87-I142 HydrophobicContact CB-CG2 4.25Å; L87-I142 VanDerWaalsContact O-CD1 3.3Å; L87-I142 WeakPolarHBondContact O-CD1 3.4Å; C101-I142 HydrophobicContact CB-CD1 3.89Å; I102-I142 PolarHBondContact O-N 3.5Å; L103-I142 WeakPolarHBondContact CA-O 3.44Å; L103-I142 HydrophobicContact CD2-CB 3.69Å; L103-I142 HydrophobicContact CD2-CD1 3.88Å; L103-I142 HydrophobicContact CD2-CG1 4.38Å; L103-I142 HydrophobicContact CD2-CG2 4.04Å; S104-I142 PolarHBondContact N-O 3.34Å; C110-I142 CarbonylContact O-C 3.54Å; C110-I142 VanDerWaalsContact O-CA 3.3Å; C110-I142 WeakPolarHBondContact O-CA 3.36Å; Q111-I142 HydrophobicContact CB-CG1 4.27Å; Q111-I142 HydrophobicContact CG-CG1 4Å
143T93.1Very high90.6Very high30 Ų3035.6 Ų35.618%0.18418%0.181CC..EExtended strand (participates in β ladder)trans-103.5134.6174.266.30000109.5S104 D108 H109 C110S104-T143 VanDerWaalsContact O-CA 3.3Å; S104-T143 WeakPolarHBondContact O-CA 3.39Å; D108-T143 CarbonylContact O-C 3.57Å; D108-T143 PolarHBondContact O-OG1 2.93Å; H109-T143 VanDerWaalsContact CA-O 3.32Å; H109-T143 WeakPolarHBondContact CA-O 3.5Å; C110-T143 VanDerWaalsContact CB-OG1 3.23Å; C110-T143 WeakPolarHBondContact CB-OG1 3.44Å; C110-T143 PolarHBondContact N-O 3.44Å; C110-T143 PolarHBondContact N-OG1 3.26Å; C110-T143 PolarHBondContact O-N 2.83Å
144C89.2Confident90.9Very high1 Ų130.3 Ų30.31%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-138148.6176.3-63.90000110.5M84 S104 G106 H109 C146 L149M84-C144 HydrophobicContact SD-CB 4.32Å; S104-C144 PolarHBondContact O-N 3.36Å; S104-C144 VanDerWaalsContact O-N 3.16Å; G106-C144 PolarHBondContact N-O 2.91Å; G106-C144 VanDerWaalsContact N-O 3.15Å; G106-C144 CarbonylContact O-C 3.55Å; H109-C144 PolarHBondContact ND1-SG 3.25Å; C144-C146 PolarHBondContact O-N 3.03Å; C144-L149 HydrophobicContact CB-CD1 4.11Å
145P88.2Confident91.2Very high54 Ų5428.4 Ų28.435%0.35114%0.14SC..  trans-76.945.4175.333-36000112.7G106G106-P145 WeakPolarHBondContact O-CA 3.44Å; G106-P145 VanDerWaalsContact O-N 3.13Å
146C85.9Confident91.3Very high6 Ų628.5 Ų28.54%0.04114%0.141CC..  trans-88.9125.6177.3-1770000110.2L82 M84 Y105 C144 L148 L149L82-C146 HydrophobicContact CD2-CB 4.39Å; M84-C146 HydrophobicContact SD-CB 4.07Å; Y105-C146 WeakPolarHBondContact CD2-O 3.49Å; C144-C146 PolarHBondContact O-N 3.03Å; C146-L148 VanDerWaalsContact C-N 3.27Å; C146-L148 PolarHBondContact O-N 3.35Å; C146-L149 HydrophobicContact CB-CB 4.28Å; C146-L149 HydrophobicContact CB-CD1 3.89Å; C146-L149 HydrophobicContact CB-CG 3.95Å; C146-L149 PolarHBondContact O-N 3.36Å; C146-L149 VanDerWaalsContact O-N 3.1Å
147P83.1Confident91.5Very high56 Ų5628.3 Ų28.336%0.36414%0.14SC..SBendtrans-55.8-39.4178.1-27.135.2000113.7L149 R150 H151 N409P147-L149 VanDerWaalsContact C-N 3.26Å; P147-L149 PolarHBondContact O-N 3.28Å; P147-R150 VanDerWaalsContact O-CB 3.3Å; P147-R150 WeakPolarHBondContact O-CB 3.4Å; P147-R150 PolarHBondContact O-N 3.18Å; P147-R150 VanDerWaalsContact O-N 3.13Å; P147-H151 PolarHBondContact O-CD2 3.49Å; P147-N409 CarbonylContact C-O 3.54Å; P147-N409 HydrophobicContact CB-CB 4.19Å
148L86.4Confident91.5Very high2 Ų223.7 Ų23.71%0.0112%0.115CC..G310 helixtrans-58.2-40.1178172.457.9000111.9F81 L82 C146 R150 H151 I152 Y410 L413F81-L148 HydrophobicContact CB-CD2 4.24Å; L82-L148 HydrophobicContact CD2-CD2 4.34Å; C146-L148 VanDerWaalsContact C-N 3.27Å; C146-L148 PolarHBondContact O-N 3.35Å; L148-R150 PolarHBondContact O-N 3.24Å; L148-R150 VanDerWaalsContact O-N 3.1Å; L148-H151 PolarHBondContact O-N 3.15Å; L148-I152 HydrophobicContact CD1-CD1 4.24Å; L148-I152 PolarHBondContact O-N 2.9Å; L148-I152 VanDerWaalsContact O-N 3.17Å; L148-Y410 HydrophobicContact CD1-CD1 4.16Å; L148-L413 HydrophobicContact CD1-CB 4.39Å; L148-L413 HydrophobicContact CD1-CD1 3.63Å; L148-L413 HydrophobicContact CD1-CG 4.33Å; L148-L413 HydrophobicContact CD2-CD1 3.61Å; L148-L413 HydrophobicContact CD2-CG 3.94Å; L148-L413 HydrophobicContact CG-CD1 4.26Å
149L91.1Very high91.5Very high2 Ų220.1 Ų20.11%0.0110%0.102CC..G310 helixtrans-67.5-12.5-177.4-68.1177.8000113.7L82 L103 Y105 C144 C146 P147 H151 I152 I154L82-L149 HydrophobicContact CD2-CD1 4.06Å; L82-L149 HydrophobicContact CD2-CD2 3.79Å; L82-L149 HydrophobicContact CD2-CG 3.72Å; L103-L149 HydrophobicContact CB-CD1 4.38Å; L103-L149 HydrophobicContact CB-CD2 4.13Å; Y105-L149 WeakPolarHBondContact CB-O 3.43Å; C144-L149 HydrophobicContact CB-CD1 4.11Å; C146-L149 HydrophobicContact CB-CB 4.28Å; C146-L149 HydrophobicContact CB-CD1 3.89Å; C146-L149 HydrophobicContact CB-CG 3.95Å; C146-L149 PolarHBondContact O-N 3.36Å; C146-L149 VanDerWaalsContact O-N 3.1Å; P147-L149 VanDerWaalsContact C-N 3.26Å; P147-L149 PolarHBondContact O-N 3.28Å; L149-H151 PolarHBondContact O-N 3.17Å; L149-I152 CarbonylContact C-O 3.32Å; L149-I152 VanDerWaalsContact CA-O 3.25Å; L149-I152 WeakPolarHBondContact CA-O 3.23Å; L149-I152 WeakPolarHBondContact CD2-O 3.39Å; L149-I154 HydrophobicContact CD2-CD1 4.42Å; L149-I154 HydrophobicContact CD2-CG1 4.39Å
150R88.4Confident91.3Very high151 Ų15120.3 Ų20.357%0.5710%0.103SC*.G310 helixtrans-68.7-25171.9-66.9-179.2165-171.9-3.9112.1Y105 P147 L148Y105-R150 HydrophobicContact CD1-CG 3.81Å; Y105-R150 HydrophobicContact CD2-CG 3.45Å; Y105-R150 VanDerWaalsContact CD2-CG 3.45Å; Y105-R150 HydrophobicContact CE1-CG 4.06Å; Y105-R150 HydrophobicContact CE2-CG 3.73Å; Y105-R150 HydrophobicContact CG-CB 4.47Å; Y105-R150 HydrophobicContact CG-CG 3.51Å; Y105-R150 PolarHBondContact OH-NE 3.45Å; Y105-R150 PolarHBondContact OH-NH2 3.15Å; P147-R150 VanDerWaalsContact O-CB 3.3Å; P147-R150 WeakPolarHBondContact O-CB 3.4Å; P147-R150 PolarHBondContact O-N 3.18Å; P147-R150 VanDerWaalsContact O-N 3.13Å; L148-R150 PolarHBondContact O-N 3.24Å; L148-R150 VanDerWaalsContact O-N 3.1Å
151H88.5Confident90.8Very high46 Ų4619.8 Ų19.821%0.21310%0.102CC..THydrogen-bonded Turntrans-108.9-28-171.7-57.8-63.8000111.9P62 P147 L148 L149 T289 A408 N409 Y410P62-H151 WeakPolarHBondContact CD-O 3.44Å; P62-H151 VanDerWaalsContact CG-O 3.25Å; P62-H151 WeakPolarHBondContact CG-O 3.44Å; P147-H151 PolarHBondContact O-CD2 3.49Å; L148-H151 PolarHBondContact O-N 3.15Å; L149-H151 PolarHBondContact O-N 3.17Å; H151-T289 HydrophobicContact CB-CG2 4.01Å; H151-A408 VanDerWaalsContact CE1-CB 3.42Å; H151-A408 WeakPolarHBondContact CE1-CB 3.33Å; H151-N409 PolarHBondContact NE2-N 3.04Å; H151-Y410 HydrophobicContact CB-CE1 4.14Å
152I93.5Very high89.8Confident3 Ų322.8 Ų22.82%0.01512%0.12CC..  trans-140.5137.8-176.9-57.6179.9000109.3P62 V64 L148 L149 I154 L285 T289 L413P62-I152 HydrophobicContact CG-CG1 4.16Å; P62-I152 CarbonylContact O-C 3.54Å; P62-I152 WeakPolarHBondContact O-CA 3.45Å; V64-I152 HydrophobicContact CB-CG2 4.48Å; V64-I152 HydrophobicContact CG2-CG2 3.59Å; L148-I152 HydrophobicContact CD1-CD1 4.24Å; L148-I152 PolarHBondContact O-N 2.9Å; L148-I152 VanDerWaalsContact O-N 3.17Å; L149-I152 CarbonylContact C-O 3.32Å; L149-I152 VanDerWaalsContact CA-O 3.25Å; L149-I152 WeakPolarHBondContact CA-O 3.23Å; L149-I152 WeakPolarHBondContact CD2-O 3.39Å; I152-I154 HydrophobicContact CG2-CG1 4.39Å; I152-L285 VanDerWaalsContact CD1-O 3.22Å; I152-L285 WeakPolarHBondContact CD1-O 3.39Å; I152-T289 HydrophobicContact CG1-CG2 4.08Å; I152-L413 HydrophobicContact CD1-CD1 4.45Å
153S95.4Very high88.7Confident13 Ų1324.4 Ų24.49%0.09114%0.137CC..EExtended strand (participates in β ladder)trans-97.1143.3166.6-70.40000110.1S61 P62 A63 V64 L103S61-S153 PolarHBondContact OG-N 3.08Å; S61-S153 PolarHBondContact OG-OG 2.89Å; P62-S153 PolarHBondContact O-N 2.99Å; A63-S153 CarbonylContact C-O 3.59Å; A63-S153 WeakPolarHBondContact CA-O 3.46Å; V64-S153 PolarHBondContact N-O 3.28Å; L103-S153 WeakPolarHBondContact O-CA 3.02Å
154I96.8Very high87.2Confident10 Ų1029.9 Ų29.95%0.05116%0.161CC..EExtended strand (participates in β ladder)trans-121.4132.5-178.1-59.7175.8000108.8V64 V66 I78 L82 L103 L149 I152V64-I154 CarbonylContact O-C 3.58Å; V64-I154 WeakPolarHBondContact O-CA 3.26Å; V66-I154 HydrophobicContact CG2-CG2 4.03Å; I78-I154 HydrophobicContact CD1-CG2 3.91Å; I78-I154 HydrophobicContact CG1-CG2 3.96Å; I78-I154 HydrophobicContact CG2-CG2 4.28Å; L82-I154 HydrophobicContact CD2-CD1 4.28Å; L103-I154 WeakPolarHBondContact CA-O 3.25Å; L103-I154 HydrophobicContact CB-CB 4.28Å; L103-I154 WeakPolarHBondContact CB-O 3.26Å; L103-I154 HydrophobicContact CD1-CB 4.38Å; L103-I154 HydrophobicContact CD1-CG2 4.5Å; L103-I154 PolarHBondContact N-O 3.24Å; L103-I154 PolarHBondContact O-N 3.05Å; L103-I154 VanDerWaalsContact O-N 3.08Å; L149-I154 HydrophobicContact CD2-CD1 4.42Å; L149-I154 HydrophobicContact CD2-CG1 4.39Å; I152-I154 HydrophobicContact CG2-CG1 4.39Å
155I96.9Very high85.9Confident0 Ų041.1 Ų41.10%020%0.203CC..EExtended strand (participates in β ladder)trans-110.7106.2175.6-54.4178000107.9V64 L65 V66 C101 I102 Y125 F181 V185V64-I155 PolarHBondContact O-N 3.26Å; L65-I155 HydrophobicContact CD1-CB 3.77Å; L65-I155 HydrophobicContact CD1-CD1 4.47Å; L65-I155 HydrophobicContact CD1-CG2 3.57Å; V66-I155 PolarHBondContact N-O 3.16Å; C101-I155 CarbonylContact O-C 3.57Å; C101-I155 WeakPolarHBondContact O-CA 3.32Å; I102-I155 HydrophobicContact CG1-CG1 4.4Å; I102-I155 HydrophobicContact CG1-CG2 4.42Å; I102-I155 HydrophobicContact CG2-CG1 4.46Å; Y125-I155 HydrophobicContact CE1-CD1 4.06Å; Y125-I155 HydrophobicContact CE2-CD1 4.47Å; I155-F181 HydrophobicContact CD1-CD1 3.56Å; I155-F181 HydrophobicContact CD1-CE1 3.8Å; I155-F181 HydrophobicContact CD1-CG 4.38Å; I155-F181 HydrophobicContact CG2-CE1 4.38Å; I155-F181 HydrophobicContact CG2-CZ 4.42Å; I155-V185 HydrophobicContact CD1-CG1 3.7Å
156D95.1Very high84.8Confident2 Ų243.1 Ų43.11%0.01121%0.208CC..EExtended strand (participates in β ladder)trans-81.3126.1170.8-159.9-1.8000109T75 I78 Y86 C101T75-D156 WeakPolarHBondContact CB-OD2 3.29Å; T75-D156 PolarHBondContact OG1-OD2 3.38Å; I78-D156 HydrophobicContact CD1-CB 3.57Å; Y86-D156 PolarHBondContact OH-OD2 3.48Å; C101-D156 HydrophobicContact CB-CB 4.13Å; C101-D156 PolarHBondContact N-O 3.21Å; C101-D156 PolarHBondContact O-N 3.21Å
157T94.5Very high83.8Confident0 Ų045.1 Ų45.10%022%0.219CC..PPolyproline II helixtrans-102.6149.4-179.567.90000111.4L65 V66 V67 K74 F100 G159 L178L65-T157 HydrophobicContact CD1-CG2 3.39Å; L65-T157 HydrophobicContact CG-CG2 4.12Å; V66-T157 WeakPolarHBondContact O-CB 3.25Å; V66-T157 WeakPolarHBondContact O-CG2 3.27Å; V66-T157 PolarHBondContact O-N 3.22Å; V66-T157 PolarHBondContact O-OG1 3.15Å; V67-T157 HydrophobicContact CG2-CG2 4.34Å; K74-T157 WeakPolarHBondContact CE-O 3.32Å; F100-T157 HydrophobicContact CD1-CG2 4.07Å; F100-T157 HydrophobicContact CE1-CG2 3.97Å; T157-G159 PolarHBondContact O-N 3.29Å; T157-L178 HydrophobicContact CG2-CD2 3.92Å
158P90.5Very high83.1Confident0 Ų050.7 Ų50.70%024%0.238CC..PPolyproline II helixtrans-54.4141.2168.1-25.634.2000111.3T97 F100 I160 Y174T97-P158 VanDerWaalsContact O-CA 3.3Å; T97-P158 WeakPolarHBondContact O-CA 3.31Å; T97-P158 WeakPolarHBondContact O-CB 3.36Å; F100-P158 HydrophobicContact CD2-CG 4.07Å; F100-P158 HydrophobicContact CE2-CG 4.1Å; F100-P158 HydrophobicContact CG-CG 4.31Å; F100-P158 HydrophobicContact CZ-CG 4.35Å; P158-I160 PolarHBondContact O-N 3.08Å; P158-Y174 PolarHBondContact O-OH 2.69Å
159G90Very high82.7Confident2 Ų254.2 Ų54.22%0.02126%0.263CS..PPolyproline II helixtrans-55.8138.2176.700000112.8T157 L161 R170T157-G159 PolarHBondContact O-N 3.29Å; G159-L161 PolarHBondContact O-N 3Å; G159-L161 VanDerWaalsContact O-N 3.16Å; G159-R170 PolarHBondContact O-NH2 3.06Å
160I88.9Confident82.4Confident5 Ų555.6 Ų55.63%0.02627%0.268CS..BIsolated β-bridgetrans-61.1120.1171.6-54.9168.8000107.1V67 G68 E69 Y70 P158 Y174 F190 E202 V203 I206V67-I160 HydrophobicContact CG1-CD1 3.99Å; G68-I160 PolarHBondContact O-N 3.09Å; E69-I160 HydrophobicContact CG-CB 4.39Å; Y70-I160 PolarHBondContact N-O 3.43Å; P158-I160 PolarHBondContact O-N 3.08Å; I160-Y174 HydrophobicContact CG1-CE1 4.11Å; I160-F190 HydrophobicContact CD1-CZ 4.01Å; I160-E202 HydrophobicContact CG2-CB 3.96Å; I160-V203 HydrophobicContact CD1-CG2 4.08Å; I160-V203 HydrophobicContact CG2-CG2 4.21Å; I160-I206 HydrophobicContact CB-CD1 4.38Å; I160-I206 HydrophobicContact CD1-CD1 3.66Å; I160-I206 HydrophobicContact CG1-CD1 3.74Å; I160-I206 HydrophobicContact CG2-CD1 3.73Å
161L83.4Confident82.3Confident27 Ų2751.9 Ų51.914%0.14126%0.264CS..PPolyproline II helixtrans-85.9133.5178.3-59.3175.1000108.3G159 Q166G159-L161 PolarHBondContact O-N 3Å; G159-L161 VanDerWaalsContact O-N 3.16Å; L161-Q166 HydrophobicContact CB-CB 4.03Å; L161-Q166 HydrophobicContact CD1-CB 4.15Å
162T73.7Confident82.4Confident68 Ų6850.7 Ų50.742%0.41726%0.257SS..PPolyproline II helixtrans-92.7129.9175.551.50000109.6
163G70.7Confident82.3Confident34 Ų3454.3 Ų54.335%0.35128%0.277SS..SBendtrans101.1129.2177.700000115.2R165 Q166 T167 E202G163-R165 VanDerWaalsContact C-N 3.26Å; G163-R165 PolarHBondContact O-N 3.09Å; G163-Q166 PolarHBondContact O-N 2.9Å; G163-T167 PolarHBondContact O-N 2.88Å; G163-T167 PolarHBondContact O-OG1 2.97Å; G163-E202 WeakPolarHBondContact CA-OE1 3.35Å; G163-E202 PolarHBondContact N-OE1 3.29Å
164E61.8Low82.2Confident146 Ų14654.3 Ų54.368%0.68228%0.275SS*.Hα-helixtrans-51.5-35.4-174.9-64.1-177.9177.200115.4Q166 T167 K168E164-Q166 VanDerWaalsContact C-N 3.34Å; E164-T167 PolarHBondContact O-N 3.21Å; E164-K168 WeakPolarHBondContact O-CG 3.4Å; E164-K168 PolarHBondContact O-N 3.31Å; E164-K168 VanDerWaalsContact O-N 3.09Å
165R60.8Low82Confident236 Ų23655 Ų5589%0.89128%0.278SS*.Hα-helixtrans-66.8-36.4-179.3-68.4-174.5-177.7-177.71.2112.1G163G163-R165 VanDerWaalsContact C-N 3.26Å; G163-R165 PolarHBondContact O-N 3.09Å
166Q65.6Low81.8Confident97 Ų9758.9 Ų58.945%0.45330%0.299SS..Hα-helixtrans-77.6-36.1177.5-61.1-172.624.600110.7L161 G163 E164 K168 S169L161-Q166 HydrophobicContact CB-CB 4.03Å; L161-Q166 HydrophobicContact CD1-CB 4.15Å; G163-Q166 PolarHBondContact O-N 2.9Å; E164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-K168 VanDerWaalsContact C-N 3.34Å; Q166-K168 PolarHBondContact O-N 2.95Å; Q166-S169 VanDerWaalsContact O-CB 3.25Å; Q166-S169 WeakPolarHBondContact O-CB 3.43Å; Q166-S169 PolarHBondContact O-N 2.91Å; Q166-S169 VanDerWaalsContact O-N 3.08Å; Q166-S169 PolarHBondContact O-OG 3.47Å
167T64Low81.8Confident47 Ų4758.8 Ų58.829%0.28830%0.298SS..Hα-helixtrans-61-42.5176.3-470000111.8G163 E164 S169 R170G163-T167 PolarHBondContact O-N 2.88Å; G163-T167 PolarHBondContact O-OG1 2.97Å; E164-T167 PolarHBondContact O-N 3.21Å; T167-S169 PolarHBondContact O-N 3.18Å; T167-S169 VanDerWaalsContact O-N 3.09Å; T167-R170 PolarHBondContact O-N 2.98Å
168K69.9Low81.9Confident173 Ų17358.9 Ų58.975%0.75230%0.299SS*.THydrogen-bonded Turntrans-65.3-9176.1-72.4178.2-177.7175.70114.5E164 Q166 R170E164-K168 WeakPolarHBondContact O-CG 3.4Å; E164-K168 PolarHBondContact O-N 3.31Å; E164-K168 VanDerWaalsContact O-N 3.09Å; Q166-K168 VanDerWaalsContact C-N 3.34Å; Q166-K168 PolarHBondContact O-N 2.95Å; K168-R170 VanDerWaalsContact C-N 3.3Å
169S77.1Confident82Confident77 Ų7761.6 Ų61.654%0.53831%0.312SS..THydrogen-bonded Turntrans-76.9-16.2176.176.10000113.3Q166 T167Q166-S169 VanDerWaalsContact O-CB 3.25Å; Q166-S169 WeakPolarHBondContact O-CB 3.43Å; Q166-S169 PolarHBondContact O-N 2.91Å; Q166-S169 VanDerWaalsContact O-N 3.08Å; Q166-S169 PolarHBondContact O-OG 3.47Å; T167-S169 PolarHBondContact O-N 3.18Å; T167-S169 VanDerWaalsContact O-N 3.09Å
170R85.1Confident82.3Confident30 Ų3062.8 Ų62.811%0.11332%0.316CS..  trans-80.7130.4-180-63.6-173.8180-143.31.5110.2G159 T167 K168 Y172G159-R170 PolarHBondContact O-NH2 3.06Å; T167-R170 PolarHBondContact O-N 2.98Å; K168-R170 VanDerWaalsContact C-N 3.3Å; R170-Y172 PolarHBondContact O-N 3.46Å
171P86.2Confident82.6Confident74 Ų7462.6 Ų62.648%0.48132%0.315SS..SBendtrans-829.718035.9-37.1000113.1A134A134-P171 HydrophobicContact CB-CB 3.86Å; A134-P171 HydrophobicContact CB-CG 3.96Å
172Y90.4Very high83.2Confident20 Ų2061.3 Ų61.38%0.07831%0.308CS..SBendtrans-142.8158.2-179.557.2-98.9000109.5F100 L135 R138 R170 Y174 V177F100-Y172 AromaticContact CE2-CE2 3.66Å; F100-Y172 HydrophobicContact CE2-CE2 3.66Å; F100-Y172 AromaticContact CE2-CZ 3.8Å; F100-Y172 HydrophobicContact CZ-CE2 4.35Å; L135-Y172 HydrophobicContact CB-CD1 4.14Å; L135-Y172 HydrophobicContact CB-CG 4.11Å; L135-Y172 HydrophobicContact CD1-CD1 3.86Å; L135-Y172 HydrophobicContact CD1-CD2 3.76Å; L135-Y172 HydrophobicContact CD1-CE1 3.94Å; L135-Y172 HydrophobicContact CD1-CE2 3.83Å; L135-Y172 HydrophobicContact CD1-CG 3.79Å; R138-Y172 HydrophobicContact CB-CE1 4.28Å; R170-Y172 PolarHBondContact O-N 3.46Å; Y172-Y174 HydrophobicContact CE2-CD2 4.29Å; Y172-Y174 PolarHBondContact O-N 3.36Å; Y172-V177 HydrophobicContact CD2-CG2 4.26Å
173D91.4Very high84.1Confident79 Ų7960.7 Ų60.742%0.42230%0.3SS..  trans-76.7108.3175.6-167.8-36.5000110.1D175 L176 V177D173-D175 PolarHBondContact OD1-N 3.4Å; D173-L176 HydrophobicContact CB-CB 4.16Å; D173-L176 HydrophobicContact CB-CD1 4.01Å; D173-L176 HydrophobicContact CB-CG 4.18Å; D173-L176 PolarHBondContact OD1-N 2.88Å; D173-L176 VanDerWaalsContact OD1-N 3.15Å; D173-L176 WeakPolarHBondContact OD2-CD1 3.3Å; D173-V177 WeakPolarHBondContact O-CG2 3.45Å; D173-V177 PolarHBondContact O-N 2.86Å
174Y92.5Very high85.1Confident14 Ų1460.7 Ų60.76%0.05529%0.29CS..Hα-helixtrans-68-36.9-178.4-180-113.6000112.7F100 P158 I160 Y172 V177 L178 I206F100-Y174 HydrophobicContact CE1-CE2 4.04Å; F100-Y174 HydrophobicContact CE2-CD2 4.36Å; F100-Y174 HydrophobicContact CE2-CE2 4.49Å; F100-Y174 AromaticContact CZ-CD2 3.65Å; F100-Y174 HydrophobicContact CZ-CD2 3.65Å; F100-Y174 AromaticContact CZ-CE2 3.57Å; F100-Y174 HydrophobicContact CZ-CE2 3.57Å; P158-Y174 PolarHBondContact O-OH 2.69Å; I160-Y174 HydrophobicContact CG1-CE1 4.11Å; Y172-Y174 HydrophobicContact CE2-CD2 4.29Å; Y172-Y174 PolarHBondContact O-N 3.36Å; Y174-V177 PolarHBondContact O-N 3.49Å; Y174-L178 HydrophobicContact CD1-CD1 4.02Å; Y174-L178 HydrophobicContact CD1-CG 4.37Å; Y174-L178 HydrophobicContact CD2-CG 4.41Å; Y174-L178 HydrophobicContact CE1-CD1 3.34Å; Y174-L178 HydrophobicContact CE1-CG 3.93Å; Y174-L178 HydrophobicContact CE2-CD1 4.28Å; Y174-L178 HydrophobicContact CE2-CD2 4.12Å; Y174-L178 HydrophobicContact CE2-CG 4.01Å; Y174-L178 PolarHBondContact O-N 3.19Å; Y174-I206 HydrophobicContact CD1-CD1 4.09Å; Y174-I206 HydrophobicContact CE1-CD1 3.71Å
175D92.9Very high86.7Confident23 Ų2353.7 Ų53.712%0.12326%0.258CS..Hα-helixtrans-69.3-43.3-173.7-65.210.8000109.3D173 L178 Q179 R205D173-D175 PolarHBondContact OD1-N 3.4Å; D175-L178 PolarHBondContact O-N 3.15Å; D175-Q179 WeakPolarHBondContact O-CG 3.42Å; D175-Q179 PolarHBondContact O-N 3.44Å; D175-R205 IonicContact OD2-CZ 3.9Å; D175-R205 IonicContact OD2-NE 3.7Å; D175-R205 PolarHBondContact OD2-NE 3.35Å; D175-R205 IonicContact OD2-NH2 3.93Å
176L93Very high88.3Confident82 Ų8243.4 Ų43.443%0.42922%0.221SC..Hα-helixtrans-67.2-34.6175.3-64.7179.1000113F131 D173 Q179 Y180F131-L176 HydrophobicContact CE1-CB 3.77Å; D173-L176 HydrophobicContact CB-CB 4.16Å; D173-L176 HydrophobicContact CB-CD1 4.01Å; D173-L176 HydrophobicContact CB-CG 4.18Å; D173-L176 PolarHBondContact OD1-N 2.88Å; D173-L176 VanDerWaalsContact OD1-N 3.15Å; D173-L176 WeakPolarHBondContact OD2-CD1 3.3Å; L176-Q179 PolarHBondContact O-N 3.09Å; L176-Y180 PolarHBondContact O-N 2.93Å
177V95.3Very high89.8Confident0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-67.8-40.4176.2173.60000111F100 F131 L135 Y172 D173 Y174 Y180 F181F100-V177 HydrophobicContact CE1-CG1 3.94Å; F100-V177 HydrophobicContact CE2-CG1 3.81Å; F100-V177 HydrophobicContact CZ-CB 4.22Å; F100-V177 HydrophobicContact CZ-CG1 3.45Å; F100-V177 VanDerWaalsContact CZ-CG1 3.45Å; F131-V177 HydrophobicContact CB-CG2 4.42Å; F131-V177 HydrophobicContact CD1-CG2 3.57Å; F131-V177 HydrophobicContact CD2-CG2 4Å; F131-V177 HydrophobicContact CE1-CG2 3.7Å; F131-V177 HydrophobicContact CE2-CG2 4.12Å; F131-V177 HydrophobicContact CG-CG2 3.73Å; F131-V177 HydrophobicContact CZ-CG2 3.98Å; L135-V177 HydrophobicContact CD1-CG1 4.2Å; L135-V177 HydrophobicContact CD1-CG2 4.09Å; L135-V177 HydrophobicContact CD2-CB 4.45Å; L135-V177 HydrophobicContact CD2-CG1 4.02Å; L135-V177 HydrophobicContact CD2-CG2 3.48Å; L135-V177 VanDerWaalsContact CD2-CG2 3.48Å; L135-V177 HydrophobicContact CG-CG2 4.39Å; Y172-V177 HydrophobicContact CD2-CG2 4.26Å; D173-V177 WeakPolarHBondContact O-CG2 3.45Å; D173-V177 PolarHBondContact O-N 2.86Å; Y174-V177 PolarHBondContact O-N 3.49Å; V177-Y180 PolarHBondContact O-N 2.94Å; V177-F181 HydrophobicContact CG1-CD2 3.85Å; V177-F181 HydrophobicContact CG1-CE2 3.68Å; V177-F181 VanDerWaalsContact O-CD2 3.32Å; V177-F181 WeakPolarHBondContact O-CD2 3.15Å; V177-F181 PolarHBondContact O-N 3.03Å
178L96Very high91.4Very high2 Ų236.7 Ų36.71%0.0119%0.186CC..Hα-helixtrans-63.6-42.1173.6-75.6-173000112L65 V67 F100 T157 Y174 D175 Y180 F181 A182 I206L65-L178 HydrophobicContact CD2-CD2 4.43Å; V67-L178 HydrophobicContact CG1-CD1 4.16Å; V67-L178 HydrophobicContact CG2-CD2 4.14Å; F100-L178 HydrophobicContact CE1-CD2 4.29Å; T157-L178 HydrophobicContact CG2-CD2 3.92Å; Y174-L178 HydrophobicContact CD1-CD1 4.02Å; Y174-L178 HydrophobicContact CD1-CG 4.37Å; Y174-L178 HydrophobicContact CD2-CG 4.41Å; Y174-L178 HydrophobicContact CE1-CD1 3.34Å; Y174-L178 HydrophobicContact CE1-CG 3.93Å; Y174-L178 HydrophobicContact CE2-CD1 4.28Å; Y174-L178 HydrophobicContact CE2-CD2 4.12Å; Y174-L178 HydrophobicContact CE2-CG 4.01Å; Y174-L178 PolarHBondContact O-N 3.19Å; D175-L178 PolarHBondContact O-N 3.15Å; L178-Y180 VanDerWaalsContact C-N 3.32Å; L178-Y180 PolarHBondContact O-N 2.98Å; L178-F181 PolarHBondContact O-N 3.49Å; L178-A182 VanDerWaalsContact O-CB 3.27Å; L178-A182 WeakPolarHBondContact O-CB 3.33Å; L178-A182 PolarHBondContact O-N 3.27Å; L178-I206 HydrophobicContact CD1-CD1 4.14Å; L178-I206 HydrophobicContact CD1-CG1 4.3Å; L178-I206 HydrophobicContact CD1-CG2 3.67Å
179Q94.1Very high92.7Very high58 Ų5828.6 Ų28.627%0.27115%0.151SC..Hα-helixtrans-60-42.8174.6-76-179.9-20.500111.9D175 L176 F181 A182 E183 N209D175-Q179 WeakPolarHBondContact O-CG 3.42Å; D175-Q179 PolarHBondContact O-N 3.44Å; L176-Q179 PolarHBondContact O-N 3.09Å; Q179-F181 PolarHBondContact O-N 3.41Å; Q179-A182 WeakPolarHBondContact O-CB 3.35Å; Q179-A182 PolarHBondContact O-N 2.99Å; Q179-E183 PolarHBondContact O-N 3.07Å; Q179-N209 HydrophobicContact CG-CB 4.29Å; Q179-N209 VanDerWaalsContact NE2-CB 3.31Å; Q179-N209 PolarHBondContact NE2-O 3.29Å
180Y94.6Very high93.7Very high27 Ų2725 Ų2511%0.10613%0.126CC..Hα-helixtrans-59.9-46.6175.2170.3-98.3000112.2Y125 G127 L128 F131 L176 V177 L178 E183 K184Y125-Y180 VanDerWaalsContact C-OH 3.31Å; Y125-Y180 VanDerWaalsContact CA-OH 3.27Å; Y125-Y180 WeakPolarHBondContact CA-OH 3.29Å; G127-Y180 WeakPolarHBondContact CA-OH 3.01Å; G127-Y180 PolarHBondContact N-OH 3.25Å; L128-Y180 HydrophobicContact CD2-CD1 3.64Å; L128-Y180 HydrophobicContact CD2-CE1 3.51Å; L128-Y180 HydrophobicContact CG-CD1 4.3Å; L128-Y180 HydrophobicContact CG-CE1 3.65Å; F131-Y180 HydrophobicContact CE2-CD1 4.12Å; F131-Y180 HydrophobicContact CE2-CD2 4.42Å; F131-Y180 AromaticContact CE2-CG 3.84Å; F131-Y180 HydrophobicContact CE2-CG 3.84Å; F131-Y180 HydrophobicContact CZ-CG 4.21Å; L176-Y180 PolarHBondContact O-N 2.93Å; V177-Y180 PolarHBondContact O-N 2.94Å; L178-Y180 VanDerWaalsContact C-N 3.32Å; L178-Y180 PolarHBondContact O-N 2.98Å; Y180-E183 PolarHBondContact O-N 3.48Å; Y180-K184 HydrophobicContact CE2-CG 4.26Å; Y180-K184 WeakPolarHBondContact O-CG 3.45Å; Y180-K184 PolarHBondContact O-N 3.29Å
181F96.7Very high94.1Very high1 Ų123.7 Ų23.70%0.00412%0.121CC..Hα-helixtrans-64.9-41.3175.4-78.1-60.5000111.7L65 F100 I102 Y125 L128 I155 V177 L178 Q179 E183 K184 V185L65-F181 HydrophobicContact CD1-CB 3.84Å; L65-F181 HydrophobicContact CD1-CD2 4.46Å; L65-F181 HydrophobicContact CD1-CG 4.18Å; L65-F181 HydrophobicContact CD2-CB 3.85Å; L65-F181 HydrophobicContact CG-CB 4.46Å; F100-F181 HydrophobicContact CD1-CD2 4.31Å; F100-F181 AromaticContact CD1-CE2 3.72Å; F100-F181 HydrophobicContact CD1-CE2 3.72Å; F100-F181 HydrophobicContact CE1-CD2 4.22Å; F100-F181 AromaticContact CE1-CE2 3.98Å; F100-F181 HydrophobicContact CE1-CE2 3.98Å; F100-F181 HydrophobicContact CG-CE2 4.23Å; I102-F181 HydrophobicContact CD1-CE1 4.25Å; I102-F181 HydrophobicContact CD1-CZ 4.36Å; Y125-F181 HydrophobicContact CD1-CD1 4.16Å; Y125-F181 HydrophobicContact CD1-CE1 4.01Å; Y125-F181 HydrophobicContact CE1-CD1 4.29Å; Y125-F181 HydrophobicContact CE1-CE1 4.4Å; Y125-F181 HydrophobicContact CG-CE1 4.25Å; L128-F181 HydrophobicContact CD1-CE1 4.35Å; L128-F181 HydrophobicContact CD1-CZ 4.03Å; L128-F181 HydrophobicContact CD2-CE1 4.27Å; L128-F181 HydrophobicContact CD2-CE2 4.08Å; L128-F181 HydrophobicContact CD2-CZ 3.73Å; L128-F181 HydrophobicContact CG-CZ 4.44Å; I155-F181 HydrophobicContact CD1-CD1 3.56Å; I155-F181 HydrophobicContact CD1-CE1 3.8Å; I155-F181 HydrophobicContact CD1-CG 4.38Å; I155-F181 HydrophobicContact CG2-CE1 4.38Å; I155-F181 HydrophobicContact CG2-CZ 4.42Å; V177-F181 HydrophobicContact CG1-CD2 3.85Å; V177-F181 HydrophobicContact CG1-CE2 3.68Å; V177-F181 VanDerWaalsContact O-CD2 3.32Å; V177-F181 WeakPolarHBondContact O-CD2 3.15Å; V177-F181 PolarHBondContact O-N 3.03Å; L178-F181 PolarHBondContact O-N 3.49Å; Q179-F181 PolarHBondContact O-N 3.41Å; F181-E183 VanDerWaalsContact C-N 3.27Å; F181-E183 PolarHBondContact O-N 2.82Å; F181-K184 CarbonylContact O-C 3.19Å; F181-K184 PolarHBondContact O-N 2.82Å; F181-V185 WeakPolarHBondContact O-CG1 3.44Å; F181-V185 VanDerWaalsContact O-CG2 3.3Å; F181-V185 WeakPolarHBondContact O-CG2 3.27Å; F181-V185 PolarHBondContact O-N 2.92Å
182A95.5Very high94.6Very high0 Ų020.7 Ų20.70%010%0.1CC..Hα-helixtrans-59.1-35.5179.100000113.4L178 Q179 K184 I188 L210 F213 K216L178-A182 VanDerWaalsContact O-CB 3.27Å; L178-A182 WeakPolarHBondContact O-CB 3.33Å; L178-A182 PolarHBondContact O-N 3.27Å; Q179-A182 WeakPolarHBondContact O-CB 3.35Å; Q179-A182 PolarHBondContact O-N 2.99Å; A182-K184 VanDerWaalsContact C-N 3.35Å; A182-I188 HydrophobicContact CB-CD1 3.65Å; A182-L210 HydrophobicContact CB-CD2 3.39Å; A182-F213 HydrophobicContact CB-CD2 3.57Å; A182-F213 HydrophobicContact CB-CE2 3.74Å; A182-F213 HydrophobicContact CB-CG 4.08Å; A182-F213 HydrophobicContact CB-CZ 4.38Å; A182-K216 PolarHBondContact O-NZ 2.82Å
183E91.6Very high94.7Very high55 Ų5520 Ų2026%0.25710%0.098SC..Hα-helixtrans-62.1-43.6171.7-169.8-173150.200111.1S50 Q179 Y180 F181 F213 K216S50-E183 WeakPolarHBondContact CB-OE1 3.4Å; Q179-E183 PolarHBondContact O-N 3.07Å; Y180-E183 PolarHBondContact O-N 3.48Å; F181-E183 VanDerWaalsContact C-N 3.27Å; F181-E183 PolarHBondContact O-N 2.82Å; E183-F213 HydrophobicContact CB-CE1 4.3Å; E183-F213 HydrophobicContact CB-CZ 4.15Å; E183-K216 PolarHBondContact O-NZ 2.81Å
184K92.5Very high94.7Very high33 Ų3316.6 Ų16.614%0.1438%0.08CC..Hα-helixtrans-88.5-20.4-171.6-60.9-60175.2-176.80115.8E57 Y125 Y180 F181 A182E57-K184 VanDerWaalsContact OE1-CE 3.31Å; E57-K184 WeakPolarHBondContact OE1-CE 3.49Å; E57-K184 IonicContact OE1-NZ 3.86Å; E57-K184 PolarHBondContact OE1-NZ 3.41Å; E57-K184 IonicContact OE2-NZ 2.69Å; E57-K184 PolarHBondContact OE2-NZ 3.42Å; Y125-K184 HydrophobicContact CD1-CB 4.28Å; Y125-K184 HydrophobicContact CE1-CB 4.08Å; Y180-K184 HydrophobicContact CE2-CG 4.26Å; Y180-K184 WeakPolarHBondContact O-CG 3.45Å; Y180-K184 PolarHBondContact O-N 3.29Å; F181-K184 CarbonylContact O-C 3.19Å; F181-K184 PolarHBondContact O-N 2.82Å; A182-K184 VanDerWaalsContact C-N 3.35Å
185V95.3Very high94.5Very high0 Ų021.2 Ų21.20%011%0.105CC..  trans-89.3161.3179.3-61.10000112.3A63 L65 I155 F181 I188 K216A63-V185 HydrophobicContact CB-CB 4.13Å; A63-V185 HydrophobicContact CB-CG1 3.78Å; A63-V185 WeakPolarHBondContact O-CB 3.32Å; L65-V185 HydrophobicContact CB-CB 4.3Å; L65-V185 HydrophobicContact CB-CG1 3.96Å; L65-V185 HydrophobicContact CB-CG2 3.85Å; L65-V185 HydrophobicContact CD2-CG2 4.49Å; I155-V185 HydrophobicContact CD1-CG1 3.7Å; F181-V185 WeakPolarHBondContact O-CG1 3.44Å; F181-V185 VanDerWaalsContact O-CG2 3.3Å; F181-V185 WeakPolarHBondContact O-CG2 3.27Å; F181-V185 PolarHBondContact O-N 2.92Å; V185-I188 HydrophobicContact CG2-CG1 3.85Å; V185-K216 WeakPolarHBondContact O-CD 3.45Å; V185-K216 PolarHBondContact O-NZ 3.43Å
186D95Very high94.1Very high20 Ų2025 Ų2511%0.10712%0.12CC..SBendtrans-93.4-31.4177.8-56.8-84.8000111.2P62 A63 L288 R295P62-D186 WeakPolarHBondContact CA-OD2 3.36Å; P62-D186 HydrophobicContact CB-CB 4.34Å; A63-D186 PolarHBondContact N-OD2 3.11Å; A63-D186 PolarHBondContact O-N 3.3Å; D186-L288 HydrophobicContact CB-CD2 4.47Å; D186-R295 PolarHBondContact O-NH1 2.77Å
187C96.3Very high93.3Very high3 Ų322.1 Ų22.12%0.0211%0.106CC..EExtended strand (participates in β ladder)trans-137.9141-179.2179.50000111A63 V64 L65 L218 L288A63-C187 PolarHBondContact O-N 3.25Å; A63-C187 VanDerWaalsContact O-N 3.16Å; V64-C187 CarbonylContact C-O 3.57Å; V64-C187 WeakPolarHBondContact CA-O 3.25Å; V64-C187 HydrophobicContact CG1-CB 4.49Å; V64-C187 HydrophobicContact CG2-CB 4.27Å; L65-C187 PolarHBondContact N-O 3.44Å; C187-L218 VanDerWaalsContact SG-CD1 3.58Å; C187-L288 HydrophobicContact CB-CD1 3.55Å; C187-L288 HydrophobicContact CB-CD2 4.01Å; C187-L288 HydrophobicContact CB-CG 4.44Å
188I97.8Very high92.5Very high0 Ų029.3 Ų29.30%015%0.145CC..EExtended strand (participates in β ladder)trans-115.5105.6173.6-55.4172.5000107.5L65 V67 A182 V185 F190 L210 F213 K216 I217 L218L65-I188 HydrophobicContact CB-CG1 4.44Å; L65-I188 HydrophobicContact CD2-CG1 4.4Å; L65-I188 HydrophobicContact CD2-CG2 4.48Å; L65-I188 CarbonylContact O-C 3.56Å; L65-I188 WeakPolarHBondContact O-CA 3.33Å; V67-I188 HydrophobicContact CG2-CG2 4.08Å; A182-I188 HydrophobicContact CB-CD1 3.65Å; V185-I188 HydrophobicContact CG2-CG1 3.85Å; I188-F190 PolarHBondContact O-N 3.46Å; I188-L210 HydrophobicContact CD1-CD2 4.38Å; I188-F213 HydrophobicContact CD1-CB 4.17Å; I188-K216 PolarHBondContact N-O 3.01Å; I188-I217 HydrophobicContact CB-CG1 4.2Å; I188-I217 HydrophobicContact CD1-CG1 4.19Å; I188-I217 CarbonylContact O-C 3.49Å; I188-I217 WeakPolarHBondContact O-CA 3.42Å; I188-L218 PolarHBondContact O-N 3.37Å
189L97.7Very high91.8Very high3 Ų330.2 Ų30.22%0.01615%0.149CC..EExtended strand (participates in β ladder)trans-81106.6170.3-67.3-176.9000108.9V64 L65 V66 V67 M77 L218 V220 L281 L285V64-L189 HydrophobicContact CG1-CB 4.46Å; V64-L189 HydrophobicContact CG1-CD1 3.6Å; V64-L189 HydrophobicContact CG1-CG 3.59Å; L65-L189 PolarHBondContact O-N 3.13Å; V66-L189 HydrophobicContact CG2-CB 4.43Å; V66-L189 HydrophobicContact CG2-CD1 4.31Å; V67-L189 PolarHBondContact N-O 3.27Å; M77-L189 HydrophobicContact CE-CD1 3.64Å; L189-L218 HydrophobicContact CD2-CB 3.83Å; L189-L218 HydrophobicContact CD2-CD1 4.01Å; L189-L218 HydrophobicContact CD2-CG 4.44Å; L189-V220 HydrophobicContact CD2-CG2 4.29Å; L189-L281 HydrophobicContact CD2-CD1 3.99Å; L189-L285 HydrophobicContact CD1-CD1 4.4Å; L189-L285 HydrophobicContact CD1-CD2 4.24Å; L189-L285 HydrophobicContact CD2-CD2 4.19Å; L189-L285 HydrophobicContact CG-CD2 4.47Å
190F97Very high91.3Very high2 Ų228.4 Ų28.41%0.00915%0.146CC..EExtended strand (participates in β ladder)trans-97.3108.7176.6-148.5-68.4000110.2V67 I160 I188 F192 V203 I206 L207 L210 I217 L218 I219 V220V67-F190 HydrophobicContact CB-CD2 4.14Å; V67-F190 HydrophobicContact CB-CE2 4.29Å; V67-F190 HydrophobicContact CG1-CD2 4.08Å; V67-F190 HydrophobicContact CG1-CE2 3.71Å; V67-F190 HydrophobicContact CG1-CZ 4.09Å; V67-F190 CarbonylContact O-C 3.59Å; V67-F190 WeakPolarHBondContact O-CA 3.39Å; I160-F190 HydrophobicContact CD1-CZ 4.01Å; I188-F190 PolarHBondContact O-N 3.46Å; F190-F192 HydrophobicContact CD1-CD2 4.23Å; F190-F192 HydrophobicContact CD1-CE1 4.45Å; F190-F192 AromaticContact CD1-CE2 3.46Å; F190-F192 HydrophobicContact CD1-CE2 3.46Å; F190-F192 VanDerWaalsContact CD1-CE2 3.46Å; F190-F192 AromaticContact CD1-CZ 3.59Å; F190-F192 HydrophobicContact CD1-CZ 3.59Å; F190-F192 HydrophobicContact CE1-CE1 4.23Å; F190-F192 HydrophobicContact CE1-CE2 4.03Å; F190-F192 AromaticContact CE1-CZ 3.65Å; F190-F192 HydrophobicContact CE1-CZ 3.65Å; F190-F192 HydrophobicContact CG-CE2 4.36Å; F190-V203 HydrophobicContact CE1-CG1 3.88Å; F190-V203 HydrophobicContact CZ-CG1 3.94Å; F190-I206 HydrophobicContact CE2-CG2 4.09Å; F190-I206 HydrophobicContact CZ-CG2 4.46Å; F190-L207 HydrophobicContact CD1-CD2 4.41Å; F190-L207 HydrophobicContact CD2-CD2 3.65Å; F190-L207 HydrophobicContact CE1-CD2 4.26Å; F190-L207 HydrophobicContact CE1-CG 4.45Å; F190-L207 HydrophobicContact CE2-CD2 3.46Å; F190-L207 VanDerWaalsContact CE2-CD2 3.46Å; F190-L207 HydrophobicContact CE2-CG 3.93Å; F190-L207 HydrophobicContact CG-CD2 4.13Å; F190-L207 HydrophobicContact CZ-CD1 4.48Å; F190-L207 HydrophobicContact CZ-CD2 3.79Å; F190-L207 HydrophobicContact CZ-CG 3.85Å; F190-L210 HydrophobicContact CE2-CD1 4.3Å; F190-I217 HydrophobicContact CB-CG2 4.13Å; F190-L218 PolarHBondContact N-O 3.1Å; F190-I219 HydrophobicContact CB-CD1 3.93Å; F190-V220 PolarHBondContact O-N 2.83Å
191M95.5Very high91Very high1 Ų133 Ų331%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-97.1132.4-173.4-63-173.275.600112.9V66 V67 V72 K74 M77 V220 N222V66-M191 HydrophobicContact CG1-CG 4.25Å; V66-M191 HydrophobicContact CG1-SD 3.68Å; V67-M191 PolarHBondContact O-N 3.44Å; V72-M191 HydrophobicContact CG2-CB 3.8Å; K74-M191 VanDerWaalsContact CA-SD 3.55Å; K74-M191 HydrophobicContact CB-SD 4.15Å; K74-M191 HydrophobicContact CG-SD 3.79Å; M77-M191 HydrophobicContact CB-CE 3.94Å; M77-M191 HydrophobicContact CB-SD 4.46Å; M77-M191 HydrophobicContact CE-CE 3.96Å; M77-M191 HydrophobicContact CE-CG 4.22Å; M77-M191 HydrophobicContact CE-SD 3.37Å; M77-M191 WeakPolarHBondContact CE-SD 3.49Å; M77-M191 HydrophobicContact CG-CE 4.37Å; M77-M191 HydrophobicContact SD-CE 3.53Å; M77-M191 VanDerWaalsContact SD-CE 3.53Å; M77-M191 HydrophobicContact SD-SD 3.82Å; M191-V220 CarbonylContact C-O 3.56Å; M191-V220 WeakPolarHBondContact CA-O 3.44Å; M191-V220 HydrophobicContact CG-CB 4.26Å; M191-N222 HydrophobicContact CE-CB 3.87Å
192F95.1Very high90.6Very high12 Ų1234 Ų345%0.05317%0.173CC..EExtended strand (participates in β ladder)trans-115.8154.3170.7-65.7-87.9000110.4F190 M199 V203 L207 I219 V220 L221 N222 L239 L243F190-F192 HydrophobicContact CD1-CD2 4.23Å; F190-F192 HydrophobicContact CD1-CE1 4.45Å; F190-F192 AromaticContact CD1-CE2 3.46Å; F190-F192 HydrophobicContact CD1-CE2 3.46Å; F190-F192 VanDerWaalsContact CD1-CE2 3.46Å; F190-F192 AromaticContact CD1-CZ 3.59Å; F190-F192 HydrophobicContact CD1-CZ 3.59Å; F190-F192 HydrophobicContact CE1-CE1 4.23Å; F190-F192 HydrophobicContact CE1-CE2 4.03Å; F190-F192 AromaticContact CE1-CZ 3.65Å; F190-F192 HydrophobicContact CE1-CZ 3.65Å; F190-F192 HydrophobicContact CG-CE2 4.36Å; F192-M199 HydrophobicContact CE1-CE 4.1Å; F192-M199 HydrophobicContact CE1-CG 4.1Å; F192-M199 HydrophobicContact CE1-SD 4.42Å; F192-M199 HydrophobicContact CZ-CE 4.18Å; F192-V203 HydrophobicContact CE1-CG1 4.11Å; F192-V203 HydrophobicContact CZ-CG1 4.42Å; F192-L207 HydrophobicContact CZ-CD1 4.4Å; F192-I219 HydrophobicContact CD2-CG2 3.86Å; F192-I219 HydrophobicContact CE2-CD1 4.37Å; F192-I219 HydrophobicContact CE2-CG2 3.85Å; F192-V220 PolarHBondContact N-O 2.92Å; F192-L221 HydrophobicContact CB-CD1 3.96Å; F192-N222 PolarHBondContact O-N 3.47Å; F192-L239 HydrophobicContact CB-CD2 4.15Å; F192-L239 HydrophobicContact CD1-CD1 4.02Å; F192-L239 HydrophobicContact CD2-CD1 4.31Å; F192-L239 HydrophobicContact CD2-CD2 4.14Å; F192-L239 HydrophobicContact CE1-CD1 4.05Å; F192-L239 HydrophobicContact CE2-CD1 4.34Å; F192-L239 HydrophobicContact CG-CD1 4.16Å; F192-L239 HydrophobicContact CG-CD2 4.06Å; F192-L239 HydrophobicContact CZ-CD1 4.21Å; F192-L243 HydrophobicContact CE2-CD2 4.42Å; F192-L243 HydrophobicContact CZ-CD2 4.13Å
193D92.8Very high90.5Very high5 Ų534 Ų343%0.02717%0.173CC..EExtended strand (participates in β ladder)trans-102.4128.6171.9-175.9-24.1000108.5V72 L195 K196 K223V72-D193 HydrophobicContact CB-CB 4.3Å; V72-D193 HydrophobicContact CG1-CB 4.05Å; D193-L195 PolarHBondContact O-N 2.87Å; D193-L195 VanDerWaalsContact O-N 3.09Å; D193-L195 WeakPolarHBondContact OD1-CB 3.25Å; D193-L195 PolarHBondContact OD1-N 3.42Å; D193-K196 HydrophobicContact CB-CB 4.25Å; D193-K196 CarbonylContact O-C 3.49Å; D193-K196 VanDerWaalsContact O-C 3.32Å; D193-K196 PolarHBondContact O-N 3.3Å; D193-K223 WeakPolarHBondContact OD2-CE 3.43Å; D193-K223 IonicContact OD2-NZ 3.9Å; D193-K223 PolarHBondContact OD2-NZ 2.86Å
194V91.8Very high90.5Very high7 Ų734.5 Ų34.54%0.04218%0.175CC..THydrogen-bonded Turntrans-57.1-24.9178.679.60000113.5V197 L221 N222 K223 M226 C227 V235V194-V197 WeakPolarHBondContact O-CG2 3.39Å; V194-L221 HydrophobicContact CB-CD1 4.2Å; V194-L221 HydrophobicContact CB-CG 4.34Å; V194-L221 HydrophobicContact CG2-CD2 4.25Å; V194-L221 HydrophobicContact CG2-CG 4.43Å; V194-N222 PolarHBondContact N-O 3.47Å; V194-N222 VanDerWaalsContact N-O 3.15Å; V194-K223 HydrophobicContact CG1-CB 4.29Å; V194-K223 WeakPolarHBondContact CG1-O 3.42Å; V194-M226 HydrophobicContact CG1-CB 4.23Å; V194-C227 HydrophobicContact CG2-CB 4.35Å; V194-C227 VanDerWaalsContact CG2-SG 3.58Å; V194-V235 HydrophobicContact CG2-CB 4.38Å; V194-V235 HydrophobicContact CG2-CG1 3.8Å
195L88.7Confident90.5Very high112 Ų11237.3 Ų37.359%0.58618%0.184SC*.THydrogen-bonded Turntrans-87.9-13178.8-58.5177000113.1D193 M226D193-L195 PolarHBondContact O-N 2.87Å; D193-L195 VanDerWaalsContact O-N 3.09Å; D193-L195 WeakPolarHBondContact OD1-CB 3.25Å; D193-L195 PolarHBondContact OD1-N 3.42Å; L195-M226 HydrophobicContact CD1-CB 4.46Å; L195-M226 HydrophobicContact CD2-CB 4.37Å
196K84.6Confident90.4Very high101 Ų10137.5 Ų37.544%0.43919%0.185SC..BIsolated β-bridgetrans-132.964.4-177.5-60.2-177.9-177.81790110.8D193D193-K196 HydrophobicContact CB-CB 4.25Å; D193-K196 CarbonylContact O-C 3.49Å; D193-K196 VanDerWaalsContact O-C 3.32Å; D193-K196 PolarHBondContact O-N 3.3Å
197V75.4Confident90.4Very high22 Ų2236.5 Ų36.513%0.13318%0.18CC..  trans-83.3-19.5-173.8-170.30000111.9V194 M199 V235 L239V194-V197 WeakPolarHBondContact O-CG2 3.39Å; V197-M199 PolarHBondContact O-N 3.23Å; V197-V235 HydrophobicContact CB-CG1 4.27Å; V197-V235 HydrophobicContact CG1-CG1 4.06Å; V197-V235 HydrophobicContact CG2-CB 4.1Å; V197-V235 HydrophobicContact CG2-CG1 3.23Å; V197-V235 HydrophobicContact CG2-CG2 3.88Å; V197-L239 HydrophobicContact CG1-CB 3.98Å; V197-L239 HydrophobicContact CG1-CD1 4.47Å
198D78.9Confident90.2Very high152 Ų15240.5 Ų40.581%0.81320%0.2SC*.SBendtrans-62.1108.2176.9-70.2-29.9000109.7G200D198-G200 PolarHBondContact O-N 3.5Å
199M81.8Confident90Very high21 Ų2143.1 Ų43.110%0.10322%0.215CC..  trans-72.4115.6178.6-64.2-172-163.100110.7F192 V197 K204 L207 L239 T242 L243 I246F192-M199 HydrophobicContact CE1-CE 4.1Å; F192-M199 HydrophobicContact CE1-CG 4.1Å; F192-M199 HydrophobicContact CE1-SD 4.42Å; F192-M199 HydrophobicContact CZ-CE 4.18Å; V197-M199 PolarHBondContact O-N 3.23Å; M199-K204 HydrophobicContact CB-CG 4.18Å; M199-K204 VanDerWaalsContact O-CE 3.31Å; M199-K204 WeakPolarHBondContact O-CE 3.48Å; M199-L207 HydrophobicContact SD-CD1 4.18Å; M199-L239 HydrophobicContact CE-CD1 3.25Å; M199-T242 HydrophobicContact CE-CG2 3.59Å; M199-T242 HydrophobicContact CG-CG2 4.31Å; M199-T242 HydrophobicContact SD-CG2 3.47Å; M199-T242 WeakPolarHBondContact SD-CG2 3.35Å; M199-L243 HydrophobicContact CE-CD2 3.53Å; M199-L243 HydrophobicContact CE-CG 3.61Å; M199-L243 HydrophobicContact SD-CD2 4.48Å; M199-I246 HydrophobicContact SD-CD1 3.68Å
200G82.8Confident89.8Confident19 Ų1943 Ų4320%0.19621%0.214CC..  trans-60.5158168.100000112.6D198 E202 V203 K204D198-G200 PolarHBondContact O-N 3.5Å; G200-E202 PolarHBondContact O-N 2.84Å; G200-V203 PolarHBondContact O-N 3.5Å; G200-V203 VanDerWaalsContact O-N 3.13Å; G200-K204 WeakPolarHBondContact O-CG 3.46Å; G200-K204 PolarHBondContact O-N 3.47Å; G200-K204 VanDerWaalsContact O-N 3.1Å
201E87.8Confident89.6Confident124 Ų12445.7 Ų45.758%0.57923%0.227SC*.Hα-helixtrans-61-30177.3-68.4-58.6124.900112K204 R205E201-K204 IonicContact OE1-NZ 2.8Å; E201-K204 PolarHBondContact OE1-NZ 3.37Å; E201-R205 WeakPolarHBondContact O-CB 3.25Å; E201-R205 PolarHBondContact O-N 3.05Å
202E89.2Confident89.2Confident21 Ų2150 Ų5010%0.09826%0.263CS..Hα-helixtrans-66.1-42.6174.5-61.984.9174.100112.4I160 G163 G200 R205 I206I160-E202 HydrophobicContact CG2-CB 3.96Å; G163-E202 WeakPolarHBondContact CA-OE1 3.35Å; G163-E202 PolarHBondContact N-OE1 3.29Å; G200-E202 PolarHBondContact O-N 2.84Å; E202-R205 PolarHBondContact O-N 2.83Å; E202-I206 WeakPolarHBondContact O-CG1 3.33Å; E202-I206 PolarHBondContact O-N 3.33Å
203V92.1Very high89Confident2 Ų251.6 Ų51.61%0.01227%0.269CS..Hα-helixtrans-64.5-44.4176.4175.60000110.3E69 I160 F190 F192 G200 R205 I206 L207E69-V203 HydrophobicContact CG-CG2 3.55Å; E69-V203 WeakPolarHBondContact OE1-CG2 3.33Å; I160-V203 HydrophobicContact CD1-CG2 4.08Å; I160-V203 HydrophobicContact CG2-CG2 4.21Å; F190-V203 HydrophobicContact CE1-CG1 3.88Å; F190-V203 HydrophobicContact CZ-CG1 3.94Å; F192-V203 HydrophobicContact CE1-CG1 4.11Å; F192-V203 HydrophobicContact CZ-CG1 4.42Å; G200-V203 PolarHBondContact O-N 3.5Å; G200-V203 VanDerWaalsContact O-N 3.13Å; V203-R205 VanDerWaalsContact C-N 3.35Å; V203-R205 PolarHBondContact O-N 3.02Å; V203-I206 PolarHBondContact O-N 2.96Å; V203-L207 HydrophobicContact CG1-CD1 4.01Å; V203-L207 HydrophobicContact CG1-CG 4.49Å; V203-L207 WeakPolarHBondContact O-CG 3.31Å; V203-L207 PolarHBondContact O-N 3.39Å
204K92Very high89Confident65 Ų6555 Ų5528%0.28329%0.285SS..Hα-helixtrans-59.6-45.1175.9-62.8179.8-168.9160.50111.6M199 G200 E201 I206 L207 L208 I246M199-K204 HydrophobicContact CB-CG 4.18Å; M199-K204 VanDerWaalsContact O-CE 3.31Å; M199-K204 WeakPolarHBondContact O-CE 3.48Å; G200-K204 WeakPolarHBondContact O-CG 3.46Å; G200-K204 PolarHBondContact O-N 3.47Å; G200-K204 VanDerWaalsContact O-N 3.1Å; E201-K204 IonicContact OE1-NZ 2.8Å; E201-K204 PolarHBondContact OE1-NZ 3.37Å; K204-I206 PolarHBondContact O-N 3.42Å; K204-L207 PolarHBondContact O-N 3.47Å; K204-L208 VanDerWaalsContact O-CG 3.3Å; K204-L208 WeakPolarHBondContact O-CG 3.2Å; K204-L208 PolarHBondContact O-N 3.25Å; K204-I246 HydrophobicContact CB-CD1 4.27Å; K204-I246 HydrophobicContact CD-CD1 4.45Å; K204-I246 HydrophobicContact CG-CD1 3.78Å
205R92Very high88.9Confident92 Ų9263.1 Ų63.135%0.34732%0.323SS..Hα-helixtrans-60.8-44.4177.6-176.1175.265.7-109.2-4.9111.9D175 E201 E202 V203 L208 N209D175-R205 IonicContact OD2-CZ 3.9Å; D175-R205 IonicContact OD2-NE 3.7Å; D175-R205 PolarHBondContact OD2-NE 3.35Å; D175-R205 IonicContact OD2-NH2 3.93Å; E201-R205 WeakPolarHBondContact O-CB 3.25Å; E201-R205 PolarHBondContact O-N 3.05Å; E202-R205 PolarHBondContact O-N 2.83Å; V203-R205 VanDerWaalsContact C-N 3.35Å; V203-R205 PolarHBondContact O-N 3.02Å; R205-L208 PolarHBondContact O-N 2.97Å; R205-N209 WeakPolarHBondContact O-CB 3.36Å; R205-N209 VanDerWaalsContact O-CG 3.29Å; R205-N209 PolarHBondContact O-N 3.01Å
206I94.1Very high89.1Confident3 Ų360.3 Ų60.32%0.01531%0.306CS..Hα-helixtrans-64-44.2177.1-69.6163.5000110.8I160 Y174 L178 F190 E202 V203 K204 L208 N209 L210I160-I206 HydrophobicContact CB-CD1 4.38Å; I160-I206 HydrophobicContact CD1-CD1 3.66Å; I160-I206 HydrophobicContact CG1-CD1 3.74Å; I160-I206 HydrophobicContact CG2-CD1 3.73Å; Y174-I206 HydrophobicContact CD1-CD1 4.09Å; Y174-I206 HydrophobicContact CE1-CD1 3.71Å; L178-I206 HydrophobicContact CD1-CD1 4.14Å; L178-I206 HydrophobicContact CD1-CG1 4.3Å; L178-I206 HydrophobicContact CD1-CG2 3.67Å; F190-I206 HydrophobicContact CE2-CG2 4.09Å; F190-I206 HydrophobicContact CZ-CG2 4.46Å; E202-I206 WeakPolarHBondContact O-CG1 3.33Å; E202-I206 PolarHBondContact O-N 3.33Å; V203-I206 PolarHBondContact O-N 2.96Å; K204-I206 PolarHBondContact O-N 3.42Å; I206-L208 PolarHBondContact O-N 3.01Å; I206-N209 WeakPolarHBondContact O-CB 3.45Å; I206-N209 PolarHBondContact O-N 3.47Å; I206-L210 HydrophobicContact CG2-CD1 3.82Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CB 3.44Å; I206-L210 VanDerWaalsContact O-CG 3.29Å; I206-L210 WeakPolarHBondContact O-CG 3.36Å; I206-L210 PolarHBondContact O-N 3.32Å
207L94.1Very high89.6Confident0 Ų056.4 Ų56.40%029%0.289CS..Hα-helixtrans-61.8-41.3177-74.4169.5000112.4F190 F192 M199 V203 K204 N209 L210 Q211 L243 I246F190-L207 HydrophobicContact CD1-CD2 4.41Å; F190-L207 HydrophobicContact CD2-CD2 3.65Å; F190-L207 HydrophobicContact CE1-CD2 4.26Å; F190-L207 HydrophobicContact CE1-CG 4.45Å; F190-L207 HydrophobicContact CE2-CD2 3.46Å; F190-L207 VanDerWaalsContact CE2-CD2 3.46Å; F190-L207 HydrophobicContact CE2-CG 3.93Å; F190-L207 HydrophobicContact CG-CD2 4.13Å; F190-L207 HydrophobicContact CZ-CD1 4.48Å; F190-L207 HydrophobicContact CZ-CD2 3.79Å; F190-L207 HydrophobicContact CZ-CG 3.85Å; F192-L207 HydrophobicContact CZ-CD1 4.4Å; M199-L207 HydrophobicContact SD-CD1 4.18Å; V203-L207 HydrophobicContact CG1-CD1 4.01Å; V203-L207 HydrophobicContact CG1-CG 4.49Å; V203-L207 WeakPolarHBondContact O-CG 3.31Å; V203-L207 PolarHBondContact O-N 3.39Å; K204-L207 PolarHBondContact O-N 3.47Å; L207-N209 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 2.58Å; L207-L210 CarbonylContact O-C 3.58Å; L207-L210 PolarHBondContact O-N 2.73Å; L207-L210 VanDerWaalsContact O-N 3.17Å; L207-Q211 PolarHBondContact O-N 3.22Å; L207-L243 HydrophobicContact CD1-CD2 3.83Å; L207-I246 HydrophobicContact CB-CG2 3.73Å; L207-I246 HydrophobicContact CD1-CD1 4.38Å
208L93.5Very high90.6Very high86 Ų8656.9 Ų56.945%0.4529%0.291SS..Hα-helixtrans-60.8-43.2173.3-72.1169000111.6K204 R205 I206 L210 Q211 I246K204-L208 VanDerWaalsContact O-CG 3.3Å; K204-L208 WeakPolarHBondContact O-CG 3.2Å; K204-L208 PolarHBondContact O-N 3.25Å; R205-L208 PolarHBondContact O-N 2.97Å; I206-L208 PolarHBondContact O-N 3.01Å; L208-L210 PolarHBondContact O-N 3.41Å; L208-Q211 VanDerWaalsContact O-CB 3.25Å; L208-Q211 WeakPolarHBondContact O-CB 3.32Å; L208-Q211 PolarHBondContact O-N 3.42Å; L208-I246 HydrophobicContact CD2-CG2 3.96Å; L208-I246 HydrophobicContact CG-CG2 3.99Å
209N92.9Very high91.4Very high56 Ų5649.8 Ų49.830%0.29925%0.253SS..Hα-helixtrans-65.9-23.6176.8-77.7-7.5000113.4Q179 R205 I206 L207Q179-N209 HydrophobicContact CG-CB 4.29Å; Q179-N209 VanDerWaalsContact NE2-CB 3.31Å; Q179-N209 PolarHBondContact NE2-O 3.29Å; R205-N209 WeakPolarHBondContact O-CB 3.36Å; R205-N209 VanDerWaalsContact O-CG 3.29Å; R205-N209 PolarHBondContact O-N 3.01Å; I206-N209 WeakPolarHBondContact O-CB 3.45Å; I206-N209 PolarHBondContact O-N 3.47Å; L207-N209 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 2.58Å
210L94.1Very high92.1Very high1 Ų148.8 Ų48.81%0.00525%0.248CC..THydrogen-bonded Turntrans-98.31178-65.7178.3000113.3A182 I188 F190 I206 L207 L208 A212 F213 I217A182-L210 HydrophobicContact CB-CD2 3.39Å; I188-L210 HydrophobicContact CD1-CD2 4.38Å; F190-L210 HydrophobicContact CE2-CD1 4.3Å; I206-L210 HydrophobicContact CG2-CD1 3.82Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CB 3.44Å; I206-L210 VanDerWaalsContact O-CG 3.29Å; I206-L210 WeakPolarHBondContact O-CG 3.36Å; I206-L210 PolarHBondContact O-N 3.32Å; L207-L210 CarbonylContact O-C 3.58Å; L207-L210 PolarHBondContact O-N 2.73Å; L207-L210 VanDerWaalsContact O-N 3.17Å; L208-L210 PolarHBondContact O-N 3.41Å; L210-A212 PolarHBondContact O-N 2.98Å; L210-F213 HydrophobicContact CD2-CD2 4.11Å; L210-F213 CarbonylContact O-C 3.59Å; L210-F213 WeakPolarHBondContact O-CA 3.45Å; L210-F213 PolarHBondContact O-N 3.19Å; L210-I217 HydrophobicContact CB-CD1 4.05Å
211Q91.7Very high92.7Very high58 Ų5847.9 Ų47.927%0.27124%0.239SC..G310 helixtrans-56.4-35.8-178.5-171.6-17512.300112.3L207 L208 F213 E214 L247L207-Q211 PolarHBondContact O-N 3.22Å; L208-Q211 VanDerWaalsContact O-CB 3.25Å; L208-Q211 WeakPolarHBondContact O-CB 3.32Å; L208-Q211 PolarHBondContact O-N 3.42Å; Q211-F213 PolarHBondContact O-N 3.49Å; Q211-F213 VanDerWaalsContact O-N 3.08Å; Q211-E214 WeakPolarHBondContact O-CB 3.26Å; Q211-E214 PolarHBondContact O-N 3.24Å; Q211-E214 VanDerWaalsContact O-N 3.14Å; Q211-L247 PolarHBondContact NE2-O 2.8Å
212A87.7Confident93Very high92 Ų9242.3 Ų42.376%0.7621%0.213SC*.G310 helixtrans-62.5-15175.800000114L210L210-A212 PolarHBondContact O-N 2.98Å
213F91.7Very high93.2Very high45 Ų4544.1 Ų44.120%0.19722%0.221CC..G310 helixtrans-114.321.5-179.9-50.7-71.3000112.1A182 E183 I188 L210 Q211 E215 K216A182-F213 HydrophobicContact CB-CD2 3.57Å; A182-F213 HydrophobicContact CB-CE2 3.74Å; A182-F213 HydrophobicContact CB-CG 4.08Å; A182-F213 HydrophobicContact CB-CZ 4.38Å; E183-F213 HydrophobicContact CB-CE1 4.3Å; E183-F213 HydrophobicContact CB-CZ 4.15Å; I188-F213 HydrophobicContact CD1-CB 4.17Å; L210-F213 HydrophobicContact CD2-CD2 4.11Å; L210-F213 CarbonylContact O-C 3.59Å; L210-F213 WeakPolarHBondContact O-CA 3.45Å; L210-F213 PolarHBondContact O-N 3.19Å; Q211-F213 PolarHBondContact O-N 3.49Å; Q211-F213 VanDerWaalsContact O-N 3.08Å; F213-E215 PolarHBondContact O-N 3.39Å; F213-E215 VanDerWaalsContact O-N 3.14Å; F213-K216 HydrophobicContact CB-CD 4.48Å; F213-K216 WeakPolarHBondContact O-CB 3.4Å; F213-K216 PolarHBondContact O-N 2.99Å
214E91.3Very high93.1Very high77 Ų7744 Ų4436%0.3622%0.22SC..G310 helixtrans-51.9-39.1-173.264.6176.4-166.300114Q211 K216 I217 T249Q211-E214 WeakPolarHBondContact O-CB 3.26Å; Q211-E214 PolarHBondContact O-N 3.24Å; Q211-E214 VanDerWaalsContact O-N 3.14Å; E214-K216 PolarHBondContact O-N 3.04Å; E214-K216 VanDerWaalsContact O-N 3.12Å; E214-I217 PolarHBondContact O-N 3.49Å; E214-T249 WeakPolarHBondContact OE2-CG2 3.47Å
215E90.1Very high92.9Very high177 Ų17741.1 Ų41.183%0.82721%0.207SC*.G310 helixtrans-62.9-20.3179.6-60.7-175.2169.400113.3F213F213-E215 PolarHBondContact O-N 3.39Å; F213-E215 VanDerWaalsContact O-N 3.14Å
216K92.9Very high92.6Very high53 Ų5340.2 Ų40.223%0.2321%0.208CC..G310 helixtrans-91.5-12.6177.6-55.9-175.3-177.3-175.80112.7A182 E183 V185 I188 F213 E214A182-K216 PolarHBondContact O-NZ 2.82Å; E183-K216 PolarHBondContact O-NZ 2.81Å; V185-K216 WeakPolarHBondContact O-CD 3.45Å; V185-K216 PolarHBondContact O-NZ 3.43Å; I188-K216 PolarHBondContact N-O 3.01Å; F213-K216 HydrophobicContact CB-CD 4.48Å; F213-K216 WeakPolarHBondContact O-CB 3.4Å; F213-K216 PolarHBondContact O-N 2.99Å; E214-K216 PolarHBondContact O-N 3.04Å; E214-K216 VanDerWaalsContact O-N 3.12Å
217I95.5Very high92.2Very high18 Ų1840.7 Ų40.79%0.09221%0.211CC..EExtended strand (participates in β ladder)trans-85.9120.6-171.6-58.6176.5000110.5I188 F190 L210 E214 I219 L247I188-I217 HydrophobicContact CB-CG1 4.2Å; I188-I217 HydrophobicContact CD1-CG1 4.19Å; I188-I217 CarbonylContact O-C 3.49Å; I188-I217 WeakPolarHBondContact O-CA 3.42Å; F190-I217 HydrophobicContact CB-CG2 4.13Å; L210-I217 HydrophobicContact CB-CD1 4.05Å; E214-I217 PolarHBondContact O-N 3.49Å; I217-I219 HydrophobicContact CG2-CD1 3.55Å; I217-I219 HydrophobicContact CG2-CG1 4.4Å; I217-L247 HydrophobicContact CD1-CD2 4.47Å
218L96.3Very high91.9Very high32 Ų3244.1 Ų44.117%0.16823%0.23CC..EExtended strand (participates in β ladder)trans-108.5124.7167.9-56.6-179.2000109.6C187 I188 L189 F190 Y256 L281 E284C187-L218 VanDerWaalsContact SG-CD1 3.58Å; I188-L218 PolarHBondContact O-N 3.37Å; L189-L218 HydrophobicContact CD2-CB 3.83Å; L189-L218 HydrophobicContact CD2-CD1 4.01Å; L189-L218 HydrophobicContact CD2-CG 4.44Å; F190-L218 PolarHBondContact N-O 3.1Å; L218-Y256 HydrophobicContact CB-CE2 4.36Å; L218-Y256 HydrophobicContact CD2-CE2 4.1Å; L218-L281 HydrophobicContact CD1-CD1 4.15Å; L218-E284 HydrophobicContact CD1-CB 4.07Å
219I96.4Very high91.6Very high4 Ų442 Ų422%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-91.5123.7-177.6-53.6-62.4000109.8F190 F192 I217 L243 I255 Y256F190-I219 HydrophobicContact CB-CD1 3.93Å; F192-I219 HydrophobicContact CD2-CG2 3.86Å; F192-I219 HydrophobicContact CE2-CD1 4.37Å; F192-I219 HydrophobicContact CE2-CG2 3.85Å; I217-I219 HydrophobicContact CG2-CD1 3.55Å; I217-I219 HydrophobicContact CG2-CG1 4.4Å; I219-L243 HydrophobicContact CB-CD1 4.45Å; I219-L243 HydrophobicContact CD1-CD1 4.23Å; I219-L243 HydrophobicContact CD1-CD2 4.43Å; I219-L243 HydrophobicContact CG1-CD1 4.03Å; I219-L243 HydrophobicContact CG2-CD1 3.75Å; I219-I255 HydrophobicContact CB-CG1 4.4Å; I219-I255 HydrophobicContact CG2-CG1 4.04Å; I219-I255 HydrophobicContact CG2-CG2 4.23Å; I219-Y256 WeakPolarHBondContact O-CD2 3.33Å; I219-Y256 PolarHBondContact O-N 2.92Å
220V96.6Very high91.5Very high0 Ų046.7 Ų46.70%024%0.244CC..EExtended strand (participates in β ladder)trans-116.8124.6179.9-178.90000110.1L189 F190 M191 F192 Y256 F260 L281L189-V220 HydrophobicContact CD2-CG2 4.29Å; F190-V220 PolarHBondContact O-N 2.83Å; M191-V220 CarbonylContact C-O 3.56Å; M191-V220 WeakPolarHBondContact CA-O 3.44Å; M191-V220 HydrophobicContact CG-CB 4.26Å; F192-V220 PolarHBondContact N-O 2.92Å; V220-Y256 CarbonylContact C-O 3.37Å; V220-Y256 WeakPolarHBondContact CA-O 3.39Å; V220-F260 HydrophobicContact CG1-CD2 4.3Å; V220-F260 HydrophobicContact CG1-CE2 3.44Å; V220-F260 VanDerWaalsContact CG1-CE2 3.44Å; V220-F260 HydrophobicContact CG1-CZ 4.04Å; V220-L281 HydrophobicContact CG2-CD1 4.18Å; V220-L281 HydrophobicContact CG2-CD2 3.91Å
221L95.5Very high91.2Very high0 Ų049.7 Ų49.70%026%0.262CS..EExtended strand (participates in β ladder)trans-100.299170.9-174.863.7000109F192 V194 S224 F232 V235 L239 I255 Y256 G258F192-L221 HydrophobicContact CB-CD1 3.96Å; V194-L221 HydrophobicContact CB-CD1 4.2Å; V194-L221 HydrophobicContact CB-CG 4.34Å; V194-L221 HydrophobicContact CG2-CD2 4.25Å; V194-L221 HydrophobicContact CG2-CG 4.43Å; L221-S224 PolarHBondContact O-OG 3.01Å; L221-F232 HydrophobicContact CD2-CE2 4.35Å; L221-V235 HydrophobicContact CD1-CG1 4.38Å; L221-V235 HydrophobicContact CD2-CG1 3.99Å; L221-L239 HydrophobicContact CD1-CD2 3.96Å; L221-I255 HydrophobicContact CB-CG2 3.76Å; L221-Y256 PolarHBondContact N-O 3.37Å; L221-G258 PolarHBondContact O-N 2.93Å; L221-G258 VanDerWaalsContact O-N 3.09Å
222N94.4Very high91.2Very high7 Ų747 Ų474%0.03725%0.25CC..EExtended strand (participates in β ladder)trans-85.7162.7-176.8-165.423.2000111.9V72 M191 F192 V194 S224 G258 F260V72-N222 PolarHBondContact O-ND2 3.45Å; M191-N222 HydrophobicContact CE-CB 3.87Å; F192-N222 PolarHBondContact O-N 3.47Å; V194-N222 PolarHBondContact N-O 3.47Å; V194-N222 VanDerWaalsContact N-O 3.15Å; N222-S224 PolarHBondContact O-N 3.12Å; N222-G258 CarbonylContact C-O 3.56Å; N222-G258 WeakPolarHBondContact CA-O 3.3Å; N222-F260 WeakPolarHBondContact OD1-CD2 3.41Å; N222-F260 PolarHBondContact OD1-N 3.46Å
223K92.2Very high91.4Very high59 Ų5947.1 Ų47.126%0.25724%0.238SC..  trans61.829.4-178.2-48.9-177.4-168.9165.10113S71 D193 V194 D225 M226 G258S71-K223 PolarHBondContact O-NZ 3.2Å; D193-K223 WeakPolarHBondContact OD2-CE 3.43Å; D193-K223 IonicContact OD2-NZ 3.9Å; D193-K223 PolarHBondContact OD2-NZ 2.86Å; V194-K223 HydrophobicContact CG1-CB 4.29Å; V194-K223 WeakPolarHBondContact CG1-O 3.42Å; K223-D225 PolarHBondContact O-N 3.18Å; K223-D225 VanDerWaalsContact O-N 3.11Å; K223-M226 HydrophobicContact CB-CG 3.89Å; K223-M226 VanDerWaalsContact O-CB 3.28Å; K223-M226 WeakPolarHBondContact O-CB 3.36Å; K223-M226 VanDerWaalsContact O-CG 3.27Å; K223-M226 WeakPolarHBondContact O-CG 3.47Å; K223-M226 PolarHBondContact O-N 3.22Å; K223-G258 PolarHBondContact N-O 3.32Å; K223-G258 VanDerWaalsContact N-O 3.13Å
224S90.6Very high91.4Very high0 Ų054.8 Ų54.80%027%0.265CS..G310 helixtrans-66.6-12.4-175-68.30000113.8L221 N222 M226 C227 G258 T259 L274L221-S224 PolarHBondContact O-OG 3.01Å; N222-S224 PolarHBondContact O-N 3.12Å; S224-M226 PolarHBondContact O-N 3.34Å; S224-C227 PolarHBondContact O-SG 2.87Å; S224-G258 PolarHBondContact N-O 2.93Å; S224-T259 PolarHBondContact N-OG1 3.1Å; S224-L274 VanDerWaalsContact CB-CD2 3.43Å
225D87Confident91.5Very high3 Ų352 Ų522%0.01625%0.254CS..G310 helixtrans-73.7-11.3171.367.1-49.5000113.9K223 C227 T259 M265 Q266 S267K223-D225 PolarHBondContact O-N 3.18Å; K223-D225 VanDerWaalsContact O-N 3.11Å; D225-C227 VanDerWaalsContact C-N 3.32Å; D225-T259 VanDerWaalsContact CG-OG1 3.23Å; D225-T259 PolarHBondContact N-OG1 3.13Å; D225-T259 WeakPolarHBondContact OD1-CB 3.37Å; D225-T259 WeakPolarHBondContact OD1-CG2 3.45Å; D225-T259 PolarHBondContact OD1-OG1 3.26Å; D225-M265 HydrophobicContact CB-CB 4.26Å; D225-M265 HydrophobicContact CB-CG 4.27Å; D225-Q266 PolarHBondContact OD2-N 3.34Å; D225-S267 WeakPolarHBondContact O-CB 3.29Å; D225-S267 PolarHBondContact O-N 3.18Å
226M86.7Confident91.6Very high74 Ų7446 Ų4637%0.36523%0.225SC..G310 helixtrans-83.6-2.9-178.6-59.1-62.8-59.800114.1V194 L195 K223 S224 Q266V194-M226 HydrophobicContact CG1-CB 4.23Å; L195-M226 HydrophobicContact CD1-CB 4.46Å; L195-M226 HydrophobicContact CD2-CB 4.37Å; K223-M226 HydrophobicContact CB-CG 3.89Å; K223-M226 VanDerWaalsContact O-CB 3.28Å; K223-M226 WeakPolarHBondContact O-CB 3.36Å; K223-M226 VanDerWaalsContact O-CG 3.27Å; K223-M226 WeakPolarHBondContact O-CG 3.47Å; K223-M226 PolarHBondContact O-N 3.22Å; S224-M226 PolarHBondContact O-N 3.34Å; M226-Q266 HydrophobicContact SD-CG 4.34Å; M226-Q266 PolarHBondContact SD-NE2 2.85Å; M226-Q266 PolarHBondContact SD-OE1 2.79Å
227C85.3Confident91.5Very high12 Ų1245.5 Ų45.58%0.08124%0.235CC..SBendtrans-127.7148.8-176.557.70000112.4V194 S224 D225 T231 F232V194-C227 HydrophobicContact CG2-CB 4.35Å; V194-C227 VanDerWaalsContact CG2-SG 3.58Å; S224-C227 PolarHBondContact O-SG 2.87Å; D225-C227 VanDerWaalsContact C-N 3.32Å; C227-T231 HydrophobicContact CB-CG2 4.34Å; C227-F232 VanDerWaalsContact SG-CB 3.57Å
228D87.6Confident91.4Very high72 Ų7247.7 Ų47.739%0.38525%0.252SS..  trans-70.3161.317067-58.1000111.4M230 T231 F232D228-M230 VanDerWaalsContact C-N 3.25Å; D228-M230 PolarHBondContact O-N 3.27Å; D228-M230 VanDerWaalsContact O-N 3.16Å; D228-M230 WeakPolarHBondContact OD2-CB 3.36Å; D228-M230 PolarHBondContact OD2-N 3.43Å; D228-T231 PolarHBondContact O-N 2.84Å; D228-T231 WeakPolarHBondContact OD1-CB 3.24Å; D228-T231 PolarHBondContact OD1-OG1 3.43Å; D228-T231 PolarHBondContact OD2-N 3.06Å; D228-F232 WeakPolarHBondContact O-CB 3.32Å; D228-F232 PolarHBondContact O-N 2.84Å
229S88.2Confident91.3Very high41 Ų4146.2 Ų46.229%0.28724%0.244SC..Hα-helixtrans-56.4-32.7-178.3-58.70000114.5N233 D269 N270S229-N233 WeakPolarHBondContact O-CB 3.44Å; S229-N233 PolarHBondContact O-N 3.19Å; S229-N233 PolarHBondContact O-ND2 2.91Å; S229-D269 WeakPolarHBondContact OG-CB 3.3Å; S229-N270 WeakPolarHBondContact CB-OD1 3.3Å; S229-N270 PolarHBondContact OG-OD1 3.33Å
230M89Confident91.1Very high155 Ų15547.4 Ų47.476%0.76425%0.252SS*.Hα-helixtrans-73.7-49.2-179.9-173.9179.3-76.900111.2D228 F232 N233 R234D228-M230 VanDerWaalsContact C-N 3.25Å; D228-M230 PolarHBondContact O-N 3.27Å; D228-M230 VanDerWaalsContact O-N 3.16Å; D228-M230 WeakPolarHBondContact OD2-CB 3.36Å; D228-M230 PolarHBondContact OD2-N 3.43Å; M230-F232 VanDerWaalsContact C-N 3.32Å; M230-F232 PolarHBondContact O-N 2.79Å; M230-N233 PolarHBondContact O-N 3.18Å; M230-R234 WeakPolarHBondContact O-CB 3.3Å; M230-R234 PolarHBondContact O-N 2.87Å; M230-R234 VanDerWaalsContact O-N 3.09Å
231T89.3Confident90.8Very high64 Ų6455 Ų5539%0.39328%0.28SS..Hα-helixtrans-62.7-42176.4-56.40000111.1C227 D228 N233 R234 V235C227-T231 HydrophobicContact CB-CG2 4.34Å; D228-T231 PolarHBondContact O-N 2.84Å; D228-T231 WeakPolarHBondContact OD1-CB 3.24Å; D228-T231 PolarHBondContact OD1-OG1 3.43Å; D228-T231 PolarHBondContact OD2-N 3.06Å; T231-N233 PolarHBondContact O-N 2.84Å; T231-R234 PolarHBondContact O-N 2.88Å; T231-V235 HydrophobicContact CG2-CG2 4.16Å; T231-V235 WeakPolarHBondContact O-CB 3.34Å; T231-V235 WeakPolarHBondContact O-CG2 3.3Å; T231-V235 PolarHBondContact O-N 3.49Å
232F91Very high90.6Very high1 Ų156.6 Ų56.60%0.00429%0.29CS..Hα-helixtrans-53.1-53.8175.9176.4-105.6000112.1L221 C227 D228 M230 R234 V235 K236 C257 L273 L274L221-F232 HydrophobicContact CD2-CE2 4.35Å; C227-F232 VanDerWaalsContact SG-CB 3.57Å; D228-F232 WeakPolarHBondContact O-CB 3.32Å; D228-F232 PolarHBondContact O-N 2.84Å; M230-F232 VanDerWaalsContact C-N 3.32Å; M230-F232 PolarHBondContact O-N 2.79Å; F232-R234 VanDerWaalsContact C-N 3.34Å; F232-R234 PolarHBondContact O-N 3.43Å; F232-V235 PolarHBondContact O-N 2.89Å; F232-K236 HydrophobicContact CE1-CD 4.28Å; F232-K236 HydrophobicContact CZ-CD 4.22Å; F232-K236 WeakPolarHBondContact O-CB 3.32Å; F232-K236 PolarHBondContact O-N 2.89Å; F232-C257 HydrophobicContact CE2-CB 3.74Å; F232-C257 HydrophobicContact CZ-CB 3.59Å; F232-C257 VanDerWaalsContact CZ-SG 3.58Å; F232-L273 HydrophobicContact CE1-CD2 3.65Å; F232-L273 HydrophobicContact CZ-CD2 4.12Å; F232-L274 HydrophobicContact CE2-CD2 4.13Å; F232-L274 HydrophobicContact CZ-CD2 4.17Å
233N91.8Very high90.5Very high96 Ų9656.2 Ų56.251%0.51329%0.288SS..Hα-helixtrans-65.4-36.7-179.2-77.7-55.4000112.4S229 M230 T231 G237S229-N233 WeakPolarHBondContact O-CB 3.44Å; S229-N233 PolarHBondContact O-N 3.19Å; S229-N233 PolarHBondContact O-ND2 2.91Å; M230-N233 PolarHBondContact O-N 3.18Å; T231-N233 PolarHBondContact O-N 2.84Å; N233-G237 PolarHBondContact O-N 2.96Å
234R92.1Very high90.3Very high205 Ų20555 Ų5577%0.77429%0.287SS*.Hα-helixtrans-63.6-46.1174.8179.3179.8172.4171.1-2.3111.7M230 T231 F232 S238M230-R234 WeakPolarHBondContact O-CB 3.3Å; M230-R234 PolarHBondContact O-N 2.87Å; M230-R234 VanDerWaalsContact O-N 3.09Å; T231-R234 PolarHBondContact O-N 2.88Å; F232-R234 VanDerWaalsContact C-N 3.34Å; F232-R234 PolarHBondContact O-N 3.43Å; R234-S238 WeakPolarHBondContact O-CB 3.33Å; R234-S238 PolarHBondContact O-N 3.31Å
235V92.6Very high90.3Very high20 Ų2063 Ų6312%0.12132%0.317CS..Hα-helixtrans-62.2-51.4177.8158.80000110.6V194 V197 L221 T231 F232 G237 S238 L239V194-V235 HydrophobicContact CG2-CB 4.38Å; V194-V235 HydrophobicContact CG2-CG1 3.8Å; V197-V235 HydrophobicContact CB-CG1 4.27Å; V197-V235 HydrophobicContact CG1-CG1 4.06Å; V197-V235 HydrophobicContact CG2-CB 4.1Å; V197-V235 HydrophobicContact CG2-CG1 3.23Å; V197-V235 HydrophobicContact CG2-CG2 3.88Å; L221-V235 HydrophobicContact CD1-CG1 4.38Å; L221-V235 HydrophobicContact CD2-CG1 3.99Å; T231-V235 HydrophobicContact CG2-CG2 4.16Å; T231-V235 WeakPolarHBondContact O-CB 3.34Å; T231-V235 WeakPolarHBondContact O-CG2 3.3Å; T231-V235 PolarHBondContact O-N 3.49Å; F232-V235 PolarHBondContact O-N 2.89Å; V235-G237 PolarHBondContact O-N 3.46Å; V235-S238 PolarHBondContact O-N 3.04Å; V235-L239 WeakPolarHBondContact O-CB 3.27Å; V235-L239 PolarHBondContact O-N 3.38Å
236K92.4Very high90.4Very high49 Ų4963.8 Ų63.821%0.21332%0.321CS..Hα-helixtrans-55.9-49.6178.1-172.9172.6-176.4163.40110.8F232 S238 L239 T240 I255 D277F232-K236 HydrophobicContact CE1-CD 4.28Å; F232-K236 HydrophobicContact CZ-CD 4.22Å; F232-K236 WeakPolarHBondContact O-CB 3.32Å; F232-K236 PolarHBondContact O-N 2.89Å; K236-S238 PolarHBondContact O-N 2.65Å; K236-L239 PolarHBondContact O-N 2.96Å; K236-T240 WeakPolarHBondContact O-CB 3.38Å; K236-T240 PolarHBondContact O-N 2.78Å; K236-T240 PolarHBondContact O-OG1 2.83Å; K236-I255 HydrophobicContact CG-CD1 4.47Å; K236-D277 IonicContact NZ-OD2 2.71Å
237G92.3Very high90.5Very high43 Ų4360.7 Ų60.744%0.44331%0.306SS..Hα-helixtrans-61.5-41.6177.700000114N233 V235 W241N233-G237 PolarHBondContact O-N 2.96Å; V235-G237 PolarHBondContact O-N 3.46Å; G237-W241 WeakPolarHBondContact O-CB 3.29Å; G237-W241 PolarHBondContact O-N 3.43Å
238S92.4Very high90.6Very high65 Ų6566.8 Ų66.846%0.45533%0.333SS..Hα-helixtrans-65.7-40176.5-171.90000112.5R234 V235 K236 T242R234-S238 WeakPolarHBondContact O-CB 3.33Å; R234-S238 PolarHBondContact O-N 3.31Å; V235-S238 PolarHBondContact O-N 3.04Å; K236-S238 PolarHBondContact O-N 2.65Å; S238-T242 PolarHBondContact O-N 3.28Å; S238-T242 VanDerWaalsContact O-N 3.15Å; S238-T242 PolarHBondContact O-OG1 3.05Å
239L93.3Very high90.4Very high1 Ų165 Ų651%0.00533%0.325CS..Hα-helixtrans-65.4-49.8177.1-179.854.9000110.6F192 V197 M199 L221 V235 K236 W241 T242 L243 I255F192-L239 HydrophobicContact CB-CD2 4.15Å; F192-L239 HydrophobicContact CD1-CD1 4.02Å; F192-L239 HydrophobicContact CD2-CD1 4.31Å; F192-L239 HydrophobicContact CD2-CD2 4.14Å; F192-L239 HydrophobicContact CE1-CD1 4.05Å; F192-L239 HydrophobicContact CE2-CD1 4.34Å; F192-L239 HydrophobicContact CG-CD1 4.16Å; F192-L239 HydrophobicContact CG-CD2 4.06Å; F192-L239 HydrophobicContact CZ-CD1 4.21Å; V197-L239 HydrophobicContact CG1-CB 3.98Å; V197-L239 HydrophobicContact CG1-CD1 4.47Å; M199-L239 HydrophobicContact CE-CD1 3.25Å; L221-L239 HydrophobicContact CD1-CD2 3.96Å; V235-L239 WeakPolarHBondContact O-CB 3.27Å; V235-L239 PolarHBondContact O-N 3.38Å; K236-L239 PolarHBondContact O-N 2.96Å; L239-W241 VanDerWaalsContact C-N 3.33Å; L239-W241 PolarHBondContact O-N 2.87Å; L239-T242 PolarHBondContact O-N 3.2Å; L239-L243 HydrophobicContact CD1-CD1 3.92Å; L239-L243 HydrophobicContact CD1-CG 4.07Å; L239-L243 HydrophobicContact CG-CD1 3.9Å; L239-L243 HydrophobicContact CG-CG 4.47Å; L239-L243 WeakPolarHBondContact O-CG 3.48Å; L239-L243 PolarHBondContact O-N 2.82Å; L239-I255 HydrophobicContact CB-CD1 4.11Å; L239-I255 HydrophobicContact CD2-CD1 3.93Å; L239-I255 HydrophobicContact CD2-CG2 4.43Å; L239-I255 HydrophobicContact CG-CD1 3.78Å
240T92.5Very high90.2Very high28 Ų2870.4 Ų70.417%0.17236%0.356CS..Hα-helixtrans-53.7-48.9175.9-62.80000111.7K236 T242 L243 S244 V252 I255K236-T240 WeakPolarHBondContact O-CB 3.38Å; K236-T240 PolarHBondContact O-N 2.78Å; K236-T240 PolarHBondContact O-OG1 2.83Å; T240-T242 VanDerWaalsContact C-N 3.35Å; T240-T242 PolarHBondContact O-N 3.16Å; T240-L243 PolarHBondContact O-N 2.96Å; T240-S244 PolarHBondContact O-N 3.17Å; T240-S244 PolarHBondContact O-OG 2.99Å; T240-V252 HydrophobicContact CG2-CG1 3.16Å; T240-I255 WeakPolarHBondContact OG1-CD1 3.31Å
241W90.6Very high90.1Very high160 Ų16070.8 Ų70.861%0.60636%0.356SS*.Hα-helixtrans-62-42.8-179.2-174.584.8000112.4G237 L239 R245G237-W241 WeakPolarHBondContact O-CB 3.29Å; G237-W241 PolarHBondContact O-N 3.43Å; L239-W241 VanDerWaalsContact C-N 3.33Å; L239-W241 PolarHBondContact O-N 2.87Å; W241-R245 VanDerWaalsContact CH2-CD 3.5Å; W241-R245 WeakPolarHBondContact O-CG 3.46Å; W241-R245 PolarHBondContact O-N 3.31Å
242T90.6Very high90Very high33 Ų3372.7 Ų72.720%0.20237%0.367CS..Hα-helixtrans-65.5-44.5178-53.90000111.4M199 S238 L239 T240 R245 I246M199-T242 HydrophobicContact CE-CG2 3.59Å; M199-T242 HydrophobicContact CG-CG2 4.31Å; M199-T242 HydrophobicContact SD-CG2 3.47Å; M199-T242 WeakPolarHBondContact SD-CG2 3.35Å; S238-T242 PolarHBondContact O-N 3.28Å; S238-T242 VanDerWaalsContact O-N 3.15Å; S238-T242 PolarHBondContact O-OG1 3.05Å; L239-T242 PolarHBondContact O-N 3.2Å; T240-T242 VanDerWaalsContact C-N 3.35Å; T240-T242 PolarHBondContact O-N 3.16Å; T242-R245 PolarHBondContact O-N 2.87Å; T242-I246 HydrophobicContact CG2-CD1 3.84Å; T242-I246 WeakPolarHBondContact O-CG1 3.43Å; T242-I246 PolarHBondContact O-N 3.19Å
243L92.4Very high90Very high0 Ų073.7 Ų73.70%037%0.374CS..Hα-helixtrans-62.8-44.7178.9-72.2172000112.4F192 M199 L207 I219 L239 T240 R245 I246 L247 P253 I255F192-L243 HydrophobicContact CE2-CD2 4.42Å; F192-L243 HydrophobicContact CZ-CD2 4.13Å; M199-L243 HydrophobicContact CE-CD2 3.53Å; M199-L243 HydrophobicContact CE-CG 3.61Å; M199-L243 HydrophobicContact SD-CD2 4.48Å; L207-L243 HydrophobicContact CD1-CD2 3.83Å; I219-L243 HydrophobicContact CB-CD1 4.45Å; I219-L243 HydrophobicContact CD1-CD1 4.23Å; I219-L243 HydrophobicContact CD1-CD2 4.43Å; I219-L243 HydrophobicContact CG1-CD1 4.03Å; I219-L243 HydrophobicContact CG2-CD1 3.75Å; L239-L243 HydrophobicContact CD1-CD1 3.92Å; L239-L243 HydrophobicContact CD1-CG 4.07Å; L239-L243 HydrophobicContact CG-CD1 3.9Å; L239-L243 HydrophobicContact CG-CG 4.47Å; L239-L243 WeakPolarHBondContact O-CG 3.48Å; L239-L243 PolarHBondContact O-N 2.82Å; T240-L243 PolarHBondContact O-N 2.96Å; L243-R245 PolarHBondContact O-N 3.08Å; L243-I246 PolarHBondContact O-N 3.03Å; L243-I246 VanDerWaalsContact O-N 3.09Å; L243-L247 PolarHBondContact O-N 3.14Å; L243-P253 HydrophobicContact CB-CG 3.91Å; L243-I255 HydrophobicContact CD1-CD1 4.29Å
244S89.7Confident90.1Very high32 Ų3274.9 Ų74.922%0.22437%0.371CS..Hα-helixtrans-57.4-34.4177-66.10000112.6T240 Q248 P253T240-S244 PolarHBondContact O-N 3.17Å; T240-S244 PolarHBondContact O-OG 2.99Å; S244-Q248 WeakPolarHBondContact O-CA 3.34Å; S244-Q248 PolarHBondContact O-N 3.31Å; S244-P253 WeakPolarHBondContact OG-CD 3.3Å
245R89.2Confident90.2Very high169 Ų16965.4 Ų65.464%0.63834%0.336SS*.Hα-helixtrans-73.6-34.9177.1-70.3-176.465.1-158.4-2.4113.4W241 T242 L243W241-R245 VanDerWaalsContact CH2-CD 3.5Å; W241-R245 WeakPolarHBondContact O-CG 3.46Å; W241-R245 PolarHBondContact O-N 3.31Å; T242-R245 PolarHBondContact O-N 2.87Å; L243-R245 PolarHBondContact O-N 3.08Å
246I90.1Very high90.4Very high20 Ų2065 Ų6510%0.10333%0.332CS..Hα-helixtrans-80.4-48.5-176.3-65.5166.5000110.6M199 K204 L207 L208 T242 L243 Q248M199-I246 HydrophobicContact SD-CD1 3.68Å; K204-I246 HydrophobicContact CB-CD1 4.27Å; K204-I246 HydrophobicContact CD-CD1 4.45Å; K204-I246 HydrophobicContact CG-CD1 3.78Å; L207-I246 HydrophobicContact CB-CG2 3.73Å; L207-I246 HydrophobicContact CD1-CD1 4.38Å; L208-I246 HydrophobicContact CD2-CG2 3.96Å; L208-I246 HydrophobicContact CG-CG2 3.99Å; T242-I246 HydrophobicContact CG2-CD1 3.84Å; T242-I246 WeakPolarHBondContact O-CG1 3.43Å; T242-I246 PolarHBondContact O-N 3.19Å; L243-I246 PolarHBondContact O-N 3.03Å; L243-I246 VanDerWaalsContact O-N 3.09Å; I246-Q248 VanDerWaalsContact C-N 3.26Å; I246-Q248 PolarHBondContact O-N 3.22Å
247L88.5Confident90.5Very high8 Ų862.7 Ų62.74%0.04232%0.322CS..Hα-helixtrans-74.2-19.5-179.4-61.7174.9000112.2Q211 I217 L243 T249Q211-L247 PolarHBondContact NE2-O 2.8Å; I217-L247 HydrophobicContact CD1-CD2 4.47Å; L243-L247 PolarHBondContact O-N 3.14Å; L247-T249 HydrophobicContact CB-CG2 3.81Å; L247-T249 PolarHBondContact O-N 3.38Å
248Q87Confident90.4Very high140 Ų14060.6 Ų60.665%0.65430%0.301SS*.  trans58.228.3-177.6-53178.9-9.200113S244 I246S244-Q248 WeakPolarHBondContact O-CA 3.34Å; S244-Q248 PolarHBondContact O-N 3.31Å; I246-Q248 VanDerWaalsContact C-N 3.26Å; I246-Q248 PolarHBondContact O-N 3.22Å
249T83.2Confident90.1Very high36 Ų3658.7 Ų58.722%0.22129%0.287CS..  trans-73.5142.2178.456.40000110.9E214 L247 E251E214-T249 WeakPolarHBondContact OE2-CG2 3.47Å; L247-T249 HydrophobicContact CB-CG2 3.81Å; L247-T249 PolarHBondContact O-N 3.38Å; T249-E251 VanDerWaalsContact CB-O 3.31Å; T249-E251 WeakPolarHBondContact CB-O 3.4Å; T249-E251 PolarHBondContact OG1-O 2.98Å
250V84Confident89.8Confident153 Ų15358.8 Ų58.893%0.92729%0.287SS*.SBendtrans-70.3-39.2171.6-178.90000110.1
251E87.6Confident89.2Confident163 Ų16361.7 Ų61.776%0.76230%0.295SS*.SBendtrans-89.4145.9178.2-62.2-170.9172.800111.4T249T249-E251 VanDerWaalsContact CB-O 3.31Å; T249-E251 WeakPolarHBondContact CB-O 3.4Å; T249-E251 PolarHBondContact OG1-O 2.98Å
252V88Confident88.5Confident104 Ų10457.7 Ų57.763%0.6329%0.285SS*.PPolyproline II helixtrans-72.1122.2179.4179.80000108.7T240 R254T240-V252 HydrophobicContact CG2-CG1 3.16Å; V252-R254 PolarHBondContact O-N 3.5Å
253P89.8Confident87.7Confident23 Ų2361.9 Ų61.915%0.14930%0.302CS..PPolyproline II helixtrans-64.4132.3-177.625.7-33.1000110.5L243 S244L243-P253 HydrophobicContact CB-CG 3.91Å; S244-P253 WeakPolarHBondContact OG-CD 3.3Å
254R93.3Very high86.6Confident121 Ų12166.8 Ų66.846%0.45733%0.334SS..PPolyproline II helixtrans-69.8131.7175.1-176.4171.8-178.3164.74.2109.9V252 Y256 D277 D280V252-R254 PolarHBondContact O-N 3.5Å; R254-Y256 HydrophobicContact CG-CE2 4.21Å; R254-D277 IonicContact NH2-OD1 3.59Å; R254-D277 PolarHBondContact NH2-OD1 3.27Å; R254-D280 IonicContact CZ-OD2 3.31Å; R254-D280 IonicContact NH1-OD2 3.64Å; R254-D280 IonicContact NH2-OD2 2.85Å; R254-D280 PolarHBondContact NH2-OD2 3.46Å
255I95.3Very high85.7Confident6 Ų667.8 Ų67.83%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-112.2115.4176.6-57-179.3000108.7I219 L221 K236 L239 T240 L243I219-I255 HydrophobicContact CB-CG1 4.4Å; I219-I255 HydrophobicContact CG2-CG1 4.04Å; I219-I255 HydrophobicContact CG2-CG2 4.23Å; L221-I255 HydrophobicContact CB-CG2 3.76Å; K236-I255 HydrophobicContact CG-CD1 4.47Å; L239-I255 HydrophobicContact CB-CD1 4.11Å; L239-I255 HydrophobicContact CD2-CD1 3.93Å; L239-I255 HydrophobicContact CD2-CG2 4.43Å; L239-I255 HydrophobicContact CG-CD1 3.78Å; T240-I255 WeakPolarHBondContact OG1-CD1 3.31Å; L243-I255 HydrophobicContact CD1-CD1 4.29Å
256Y96.1Very high84.9Confident11 Ų1165.4 Ų65.44%0.04333%0.332CS..EExtended strand (participates in β ladder)trans-82.1115.3174.8-61.2-91.1000109.2L218 I219 V220 L221 R254 D280 L281 E284L218-Y256 HydrophobicContact CB-CE2 4.36Å; L218-Y256 HydrophobicContact CD2-CE2 4.1Å; I219-Y256 WeakPolarHBondContact O-CD2 3.33Å; I219-Y256 PolarHBondContact O-N 2.92Å; V220-Y256 CarbonylContact C-O 3.37Å; V220-Y256 WeakPolarHBondContact CA-O 3.39Å; L221-Y256 PolarHBondContact N-O 3.37Å; R254-Y256 HydrophobicContact CG-CE2 4.21Å; Y256-D280 HydrophobicContact CD1-CB 4.39Å; Y256-D280 HydrophobicContact CE1-CB 3.99Å; Y256-L281 HydrophobicContact CD1-CB 3.76Å; Y256-L281 HydrophobicContact CD1-CD1 4.39Å; Y256-L281 HydrophobicContact CD2-CD1 4.2Å; Y256-L281 HydrophobicContact CE1-CB 4.34Å; Y256-L281 HydrophobicContact CG-CB 4.1Å; Y256-L281 HydrophobicContact CG-CD1 4.09Å; Y256-E284 WeakPolarHBondContact OH-CG 3.49Å
257C94Very high84.1Confident0 Ų065.6 Ų65.60%034%0.336CS..EExtended strand (participates in β ladder)trans-101.4130.8-177.7-55.20000109.8F232 L274 D277F232-C257 HydrophobicContact CE2-CB 3.74Å; F232-C257 HydrophobicContact CZ-CB 3.59Å; F232-C257 VanDerWaalsContact CZ-SG 3.58Å; C257-L274 HydrophobicContact CB-CD2 3.64Å; C257-D277 PolarHBondContact N-OD2 3.46Å; C257-D277 VanDerWaalsContact N-OD2 3.07Å; C257-D277 VanDerWaalsContact O-CB 3.25Å; C257-D277 WeakPolarHBondContact O-CB 3.23Å
258G90Very high83.4Confident0 Ų070.5 Ų70.50%036%0.361CS..  trans-171.2-175.9179.400000113.6L221 N222 K223 S224L221-G258 PolarHBondContact O-N 2.93Å; L221-G258 VanDerWaalsContact O-N 3.09Å; N222-G258 CarbonylContact C-O 3.56Å; N222-G258 WeakPolarHBondContact CA-O 3.3Å; K223-G258 PolarHBondContact N-O 3.32Å; K223-G258 VanDerWaalsContact N-O 3.13Å; S224-G258 PolarHBondContact N-O 2.93Å
259T87Confident82.9Confident25 Ų2569 Ų6915%0.15336%0.358CS..  trans-136.4114.1173.2-53.70000108.6S224 D225 W261S224-T259 PolarHBondContact N-OG1 3.1Å; D225-T259 VanDerWaalsContact CG-OG1 3.23Å; D225-T259 PolarHBondContact N-OG1 3.13Å; D225-T259 WeakPolarHBondContact OD1-CB 3.37Å; D225-T259 WeakPolarHBondContact OD1-CG2 3.45Å; D225-T259 PolarHBondContact OD1-OG1 3.26Å; T259-W261 HydrophobicContact CG2-CD2 4.34Å; T259-W261 HydrophobicContact CG2-CG 4.03Å; T259-W261 PolarHBondContact O-N 2.93Å
260F87.3Confident82.8Confident2 Ų268.2 Ų68.21%0.00935%0.352CS..  trans-106.768-169.6-54.1-84.4000111.2M77 H80 F81 V220 N222 T278 L281M77-F260 HydrophobicContact CB-CB 3.69Å; M77-F260 HydrophobicContact CB-CG 4.3Å; M77-F260 HydrophobicContact CG-CB 3.53Å; M77-F260 HydrophobicContact CG-CD1 4.21Å; M77-F260 HydrophobicContact CG-CD2 4.14Å; M77-F260 HydrophobicContact CG-CG 3.7Å; M77-F260 HydrophobicContact SD-CB 4.4Å; M77-F260 HydrophobicContact SD-CD1 4.43Å; M77-F260 HydrophobicContact SD-CD2 3.88Å; M77-F260 HydrophobicContact SD-CE2 4.29Å; M77-F260 HydrophobicContact SD-CG 3.97Å; H80-F260 WeakPolarHBondContact CB-O 3.31Å; F81-F260 AromaticContact CE1-CD1 3.73Å; F81-F260 HydrophobicContact CE1-CD1 3.73Å; F81-F260 HydrophobicContact CE1-CE1 4.21Å; F81-F260 AromaticContact CZ-CD1 3.64Å; F81-F260 HydrophobicContact CZ-CD1 3.64Å; F81-F260 AromaticContact CZ-CE1 3.92Å; F81-F260 HydrophobicContact CZ-CE1 3.92Å; F81-F260 HydrophobicContact CZ-CG 4.43Å; V220-F260 HydrophobicContact CG1-CD2 4.3Å; V220-F260 HydrophobicContact CG1-CE2 3.44Å; V220-F260 VanDerWaalsContact CG1-CE2 3.44Å; V220-F260 HydrophobicContact CG1-CZ 4.04Å; N222-F260 WeakPolarHBondContact OD1-CD2 3.41Å; N222-F260 PolarHBondContact OD1-N 3.46Å; F260-T278 HydrophobicContact CE1-CG2 3.99Å; F260-L281 HydrophobicContact CE1-CD2 3.73Å; F260-L281 HydrophobicContact CE2-CD2 4.43Å; F260-L281 HydrophobicContact CZ-CD2 3.49Å; F260-L281 VanDerWaalsContact CZ-CD2 3.49Å
261W80.4Confident82.6Confident90 Ų9065.7 Ų65.734%0.34133%0.326SS..SBendtrans-150172.3177.169.7-10.5000110.8T76 H80 T259 Q263T76-W261 HydrophobicContact CG2-CB 3.89Å; H80-W261 PolarHBondContact CE1-O 3.3Å; H80-W261 PolarHBondContact ND1-O 2.9Å; T259-W261 HydrophobicContact CG2-CD2 4.34Å; T259-W261 HydrophobicContact CG2-CG 4.03Å; T259-W261 PolarHBondContact O-N 2.93Å; W261-Q263 VanDerWaalsContact C-N 3.34Å; W261-Q263 HydrophobicContact CD2-CB 3.8Å; W261-Q263 HydrophobicContact CD2-CG 4.03Å; W261-Q263 HydrophobicContact CE3-CB 4.15Å; W261-Q263 HydrophobicContact CE3-CG 3.91Å; W261-Q263 HydrophobicContact CG-CB 4.28Å; W261-Q263 HydrophobicContact CH2-CB 4.18Å; W261-Q263 HydrophobicContact CH2-CG 4.35Å; W261-Q263 HydrophobicContact CZ2-CB 3.83Å; W261-Q263 HydrophobicContact CZ2-CG 4.46Å; W261-Q263 HydrophobicContact CZ3-CB 4.32Å; W261-Q263 HydrophobicContact CZ3-CG 4.06Å; W261-Q263 PolarHBondContact NE1-O 3.27Å
262D74.8Confident82.2Confident75 Ų7565.3 Ų65.340%0.40132%0.324SS..SBendtrans-92.26.2-172.6-68.610.3000113.5H80 R412H80-D262 IonicContact CE1-OD1 3.9Å; H80-D262 IonicContact CG-OD1 2.85Å; H80-D262 IonicContact ND1-OD1 3.55Å; H80-D262 PolarHBondContact ND1-OD1 3.45Å; D262-R412 IonicContact OD1-CZ 2.99Å; D262-R412 IonicContact OD1-NH1 3.36Å; D262-R412 PolarHBondContact OD1-NH1 2.74Å; D262-R412 IonicContact OD1-NH2 3.62Å; D262-R412 PolarHBondContact OD1-NH2 3.14Å; D262-R412 IonicContact OD2-CZ 3.65Å; D262-R412 IonicContact OD2-NH1 3.53Å; D262-R412 PolarHBondContact OD2-NH1 2.84Å; D262-R412 IonicContact OD2-NH2 3.77Å; D262-R412 PolarHBondContact OD2-NH2 2.78Å
263Q74.6Confident82Confident121 Ų12163.4 Ų63.457%0.56531%0.31SS*.SBendtrans-89.9150.8178.9-61.9-63.6-35.800110.7W261W261-Q263 VanDerWaalsContact C-N 3.34Å; W261-Q263 HydrophobicContact CD2-CB 3.8Å; W261-Q263 HydrophobicContact CD2-CG 4.03Å; W261-Q263 HydrophobicContact CE3-CB 4.15Å; W261-Q263 HydrophobicContact CE3-CG 3.91Å; W261-Q263 HydrophobicContact CG-CB 4.28Å; W261-Q263 HydrophobicContact CH2-CB 4.18Å; W261-Q263 HydrophobicContact CH2-CG 4.35Å; W261-Q263 HydrophobicContact CZ2-CB 3.83Å; W261-Q263 HydrophobicContact CZ2-CG 4.46Å; W261-Q263 HydrophobicContact CZ3-CB 4.32Å; W261-Q263 HydrophobicContact CZ3-CG 4.06Å; W261-Q263 PolarHBondContact NE1-O 3.27Å
264P69Low81.8Confident103 Ų10362.5 Ų62.567%0.66930%0.304SS*.PPolyproline II helixtrans-60.2145.9174.926.2-34.6000111Q266P264-Q266 PolarHBondContact O-N 2.92Å
265M71Confident81.4Confident53 Ų5358.4 Ų58.426%0.26129%0.29SS..PPolyproline II helixtrans-59.6130.4175.1-75.9-179.4-93.500110.4D225 R271 E275D225-M265 HydrophobicContact CB-CB 4.26Å; D225-M265 HydrophobicContact CB-CG 4.27Å; M265-R271 HydrophobicContact CE-CG 3.7Å; M265-R271 HydrophobicContact SD-CB 4.45Å; M265-R271 HydrophobicContact SD-CG 4.14Å; M265-E275 HydrophobicContact CE-CG 4.28Å
266Q72.4Confident80.8Confident119 Ų11962.4 Ų62.456%0.55631%0.308SS*.SBendtrans-74.4-41.3-178.9-65-176.932.800112.5D225 M226 P264D225-Q266 PolarHBondContact OD2-N 3.34Å; M226-Q266 HydrophobicContact SD-CG 4.34Å; M226-Q266 PolarHBondContact SD-NE2 2.85Å; M226-Q266 PolarHBondContact SD-OE1 2.79Å; P264-Q266 PolarHBondContact O-N 2.92Å
267S73.3Confident80.6Confident25 Ų2562.3 Ų62.318%0.17531%0.309CS..  trans-108.6138170.4-178.70000111.1D225 D269D225-S267 WeakPolarHBondContact O-CB 3.29Å; D225-S267 PolarHBondContact O-N 3.18Å; S267-D269 PolarHBondContact OG-N 3.01Å; S267-D269 PolarHBondContact OG-OD2 3.48Å
268L73.3Confident80.4Confident110 Ų11064 Ų6458%0.57632%0.319SS*.  trans-96.2-6.6175.8-63.9175.7000113N270 R271L268-N270 VanDerWaalsContact C-N 3.28Å; L268-N270 PolarHBondContact O-N 3.46Å; L268-R271 VanDerWaalsContact O-CB 3.3Å; L268-R271 WeakPolarHBondContact O-CB 3.39Å; L268-R271 PolarHBondContact O-N 3.3Å; L268-R271 VanDerWaalsContact O-N 3.16Å
269D77.3Confident80.1Confident109 Ų10967.6 Ų67.658%0.58333%0.333SS*.THydrogen-bonded Turntrans-59.4-36.7-168.7-63.4-19.9000113.3S229 S267S229-D269 WeakPolarHBondContact OG-CB 3.3Å; S267-D269 PolarHBondContact OG-N 3.01Å; S267-D269 PolarHBondContact OG-OD2 3.48Å
270N80.2Confident80.4Confident20 Ų2068.4 Ų68.411%0.10734%0.336CS..THydrogen-bonded Turntrans-111.115.4-177.4-55.7-53.2000112.7S229 L268 E272 L273 L274S229-N270 WeakPolarHBondContact CB-OD1 3.3Å; S229-N270 PolarHBondContact OG-OD1 3.33Å; L268-N270 VanDerWaalsContact C-N 3.28Å; L268-N270 PolarHBondContact O-N 3.46Å; N270-E272 PolarHBondContact O-N 2.94Å; N270-L273 WeakPolarHBondContact O-CB 3.41Å; N270-L273 PolarHBondContact O-N 3.16Å; N270-L273 VanDerWaalsContact O-N 3.12Å; N270-L274 HydrophobicContact CB-CD1 4.42Å; N270-L274 HydrophobicContact CB-CG 4.18Å; N270-L274 WeakPolarHBondContact O-CG 3.44Å; N270-L274 PolarHBondContact O-N 2.8Å
271R79.8Confident80.7Confident99 Ų9968.3 Ų68.337%0.37434%0.336SS..Hα-helixtrans-51-52.2-168.8173.8168.4-179.5157.66.6113.6M265 L268 L273 L274 E275M265-R271 HydrophobicContact CE-CG 3.7Å; M265-R271 HydrophobicContact SD-CB 4.45Å; M265-R271 HydrophobicContact SD-CG 4.14Å; L268-R271 VanDerWaalsContact O-CB 3.3Å; L268-R271 WeakPolarHBondContact O-CB 3.39Å; L268-R271 PolarHBondContact O-N 3.3Å; L268-R271 VanDerWaalsContact O-N 3.16Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 2.86Å; R271-L274 PolarHBondContact O-N 3.4Å; R271-E275 HydrophobicContact CG-CG 4.3Å; R271-E275 WeakPolarHBondContact CG-OE1 3.3Å; R271-E275 IonicContact CZ-OE1 3.14Å; R271-E275 VanDerWaalsContact CZ-OE1 3.27Å; R271-E275 IonicContact NE-OE1 2.92Å; R271-E275 PolarHBondContact NE-OE1 3.1Å; R271-E275 IonicContact NH2-OE1 3.48Å; R271-E275 PolarHBondContact NH2-OE1 3.04Å; R271-E275 WeakPolarHBondContact O-CB 3.45Å; R271-E275 WeakPolarHBondContact O-CG 3.43Å; R271-E275 PolarHBondContact O-N 3.47Å
272E79.7Confident81.2Confident156 Ų15664.5 Ų64.573%0.72932%0.323SS*.Hα-helixtrans-58.8-42.9-177.7-175.6-179.8-178.200111.9N270 Q276N270-E272 PolarHBondContact O-N 2.94Å; E272-Q276 VanDerWaalsContact O-CB 3.3Å; E272-Q276 WeakPolarHBondContact O-CB 3.47Å; E272-Q276 PolarHBondContact O-N 2.86Å
273L83.9Confident81.9Confident64 Ų6467 Ų6734%0.33533%0.33SS..Hα-helixtrans-65.7-44.7178179.368.2000111.7F232 N270 R271 Q276 D277F232-L273 HydrophobicContact CE1-CD2 3.65Å; F232-L273 HydrophobicContact CZ-CD2 4.12Å; N270-L273 WeakPolarHBondContact O-CB 3.41Å; N270-L273 PolarHBondContact O-N 3.16Å; N270-L273 VanDerWaalsContact O-N 3.12Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 2.86Å; L273-Q276 PolarHBondContact O-N 3.15Å; L273-D277 PolarHBondContact O-N 3.44Å
274L86Confident82.7Confident4 Ų464.8 Ų64.82%0.02132%0.32CS..Hα-helixtrans-66.1-41.2179.7-62.3-176.4000111.7S224 F232 C257 N270 R271 Q276 T278S224-L274 VanDerWaalsContact CB-CD2 3.43Å; F232-L274 HydrophobicContact CE2-CD2 4.13Å; F232-L274 HydrophobicContact CZ-CD2 4.17Å; C257-L274 HydrophobicContact CB-CD2 3.64Å; N270-L274 HydrophobicContact CB-CD1 4.42Å; N270-L274 HydrophobicContact CB-CG 4.18Å; N270-L274 WeakPolarHBondContact O-CG 3.44Å; N270-L274 PolarHBondContact O-N 2.8Å; R271-L274 PolarHBondContact O-N 3.4Å; L274-Q276 VanDerWaalsContact C-N 3.34Å; L274-T278 VanDerWaalsContact O-CB 3.27Å; L274-T278 WeakPolarHBondContact O-CB 3.36Å; L274-T278 PolarHBondContact O-N 2.73Å; L274-T278 PolarHBondContact O-OG1 3.43Å
275E83.1Confident83.8Confident35 Ų3560.1 Ų60.116%0.16429%0.289CS..Hα-helixtrans-64.6-40.2174.6-73177.517400111.1M265 R271 T278 R279 Y419M265-E275 HydrophobicContact CE-CG 4.28Å; R271-E275 HydrophobicContact CG-CG 4.3Å; R271-E275 WeakPolarHBondContact CG-OE1 3.3Å; R271-E275 IonicContact CZ-OE1 3.14Å; R271-E275 VanDerWaalsContact CZ-OE1 3.27Å; R271-E275 IonicContact NE-OE1 2.92Å; R271-E275 PolarHBondContact NE-OE1 3.1Å; R271-E275 IonicContact NH2-OE1 3.48Å; R271-E275 PolarHBondContact NH2-OE1 3.04Å; R271-E275 WeakPolarHBondContact O-CB 3.45Å; R271-E275 WeakPolarHBondContact O-CG 3.43Å; R271-E275 PolarHBondContact O-N 3.47Å; E275-T278 PolarHBondContact O-N 2.71Å; E275-R279 WeakPolarHBondContact O-CG 3.42Å; E275-R279 PolarHBondContact O-N 3.34Å; E275-Y419 PolarHBondContact OE1-OH 3.32Å; E275-Y419 PolarHBondContact OE2-OH 3.29Å; E275-Y419 VanDerWaalsContact OE2-OH 3.07Å
276Q84.6Confident84.7Confident89 Ų8958.8 Ų58.842%0.41628%0.281SS..Hα-helixtrans-63.9-49.8175.5-176.2173.113.200112.4E272 L273 L274 T278 R279 D280E272-Q276 VanDerWaalsContact O-CB 3.3Å; E272-Q276 WeakPolarHBondContact O-CB 3.47Å; E272-Q276 PolarHBondContact O-N 2.86Å; L273-Q276 PolarHBondContact O-N 3.15Å; L274-Q276 VanDerWaalsContact C-N 3.34Å; Q276-T278 VanDerWaalsContact C-N 3.26Å; Q276-T278 PolarHBondContact O-N 2.99Å; Q276-R279 PolarHBondContact O-N 2.82Å; Q276-D280 PolarHBondContact O-N 2.74Å
277D91.7Very high85.5Confident9 Ų954.4 Ų54.45%0.04826%0.264CS..Hα-helixtrans-63.1-34.9177.5-90.3-13.3000111.3K236 R254 C257 L273 D280 L281K236-D277 IonicContact NZ-OD2 2.71Å; R254-D277 IonicContact NH2-OD1 3.59Å; R254-D277 PolarHBondContact NH2-OD1 3.27Å; C257-D277 PolarHBondContact N-OD2 3.46Å; C257-D277 VanDerWaalsContact N-OD2 3.07Å; C257-D277 VanDerWaalsContact O-CB 3.25Å; C257-D277 WeakPolarHBondContact O-CB 3.23Å; L273-D277 PolarHBondContact O-N 3.44Å; D277-D280 PolarHBondContact O-N 3.08Å; D277-L281 WeakPolarHBondContact O-CB 3.32Å; D277-L281 PolarHBondContact O-N 2.87Å
278T88.2Confident86.3Confident36 Ų3653.6 Ų53.622%0.22126%0.257CS..Hα-helixtrans-63.5-45.2173.3-61.30000111.4F260 L274 E275 Q276 L281 C282F260-T278 HydrophobicContact CE1-CG2 3.99Å; L274-T278 VanDerWaalsContact O-CB 3.27Å; L274-T278 WeakPolarHBondContact O-CB 3.36Å; L274-T278 PolarHBondContact O-N 2.73Å; L274-T278 PolarHBondContact O-OG1 3.43Å; E275-T278 PolarHBondContact O-N 2.71Å; Q276-T278 VanDerWaalsContact C-N 3.26Å; Q276-T278 PolarHBondContact O-N 2.99Å; T278-L281 PolarHBondContact O-N 2.93Å; T278-C282 PolarHBondContact O-N 3.38Å; T278-C282 PolarHBondContact O-SG 3.5Å
279R85.4Confident86.9Confident75 Ų7549.1 Ų49.128%0.28324%0.235SC..Hα-helixtrans-61.7-44.2175.6-74.5-173.8-62-99.40.3111.7E275 Q276 C282 K283E275-R279 WeakPolarHBondContact O-CG 3.42Å; E275-R279 PolarHBondContact O-N 3.34Å; Q276-R279 PolarHBondContact O-N 2.82Å; R279-C282 PolarHBondContact O-N 2.88Å; R279-K283 WeakPolarHBondContact O-CB 3.16Å; R279-K283 PolarHBondContact O-N 3.2Å
280D91.7Very high87.3Confident42 Ų4245 Ų4523%0.22521%0.211CC..Hα-helixtrans-65.3-40.8179.7-73.6-7.6000111.1R254 Y256 Q276 D277 K283 E284R254-D280 IonicContact CZ-OD2 3.31Å; R254-D280 IonicContact NH1-OD2 3.64Å; R254-D280 IonicContact NH2-OD2 2.85Å; R254-D280 PolarHBondContact NH2-OD2 3.46Å; Y256-D280 HydrophobicContact CD1-CB 4.39Å; Y256-D280 HydrophobicContact CE1-CB 3.99Å; Q276-D280 PolarHBondContact O-N 2.74Å; D277-D280 PolarHBondContact O-N 3.08Å; D280-K283 WeakPolarHBondContact O-CB 3.31Å; D280-K283 PolarHBondContact O-N 3.17Å; D280-E284 WeakPolarHBondContact O-CG 3.33Å; D280-E284 PolarHBondContact O-N 2.65Å
281L93.7Very high87.6Confident0 Ų045.2 Ų45.20%021%0.214CC..Hα-helixtrans-61.1-47.1173.5-179.464.1000111.6L189 L218 V220 Y256 F260 D277 T278 K283 E284 L285L189-L281 HydrophobicContact CD2-CD1 3.99Å; L218-L281 HydrophobicContact CD1-CD1 4.15Å; V220-L281 HydrophobicContact CG2-CD1 4.18Å; V220-L281 HydrophobicContact CG2-CD2 3.91Å; Y256-L281 HydrophobicContact CD1-CB 3.76Å; Y256-L281 HydrophobicContact CD1-CD1 4.39Å; Y256-L281 HydrophobicContact CD2-CD1 4.2Å; Y256-L281 HydrophobicContact CE1-CB 4.34Å; Y256-L281 HydrophobicContact CG-CB 4.1Å; Y256-L281 HydrophobicContact CG-CD1 4.09Å; F260-L281 HydrophobicContact CE1-CD2 3.73Å; F260-L281 HydrophobicContact CE2-CD2 4.43Å; F260-L281 HydrophobicContact CZ-CD2 3.49Å; F260-L281 VanDerWaalsContact CZ-CD2 3.49Å; D277-L281 WeakPolarHBondContact O-CB 3.32Å; D277-L281 PolarHBondContact O-N 2.87Å; T278-L281 PolarHBondContact O-N 2.93Å; L281-K283 VanDerWaalsContact C-N 3.28Å; L281-K283 PolarHBondContact O-N 2.8Å; L281-E284 PolarHBondContact O-N 2.86Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 2.9Å
282C90.9Very high88.1Confident11 Ų1140.7 Ų40.77%0.07420%0.197CC..Hα-helixtrans-60.8-39.6176.8-69.60000111.6T278 R279 L285 R286 L413T278-C282 PolarHBondContact O-N 3.38Å; T278-C282 PolarHBondContact O-SG 3.5Å; R279-C282 PolarHBondContact O-N 2.88Å; C282-L285 PolarHBondContact O-N 2.79Å; C282-R286 WeakPolarHBondContact O-CG 3.49Å; C282-R286 PolarHBondContact O-N 3.16Å; C282-L413 HydrophobicContact CB-CD2 4.07Å; C282-L413 WeakPolarHBondContact SG-CD2 3.21Å
283K89.3Confident88.5Confident128 Ų12834.5 Ų34.556%0.55717%0.169SC*.Hα-helixtrans-61.2-44.2175.5-176.5-175174.9-172.20111.6R279 D280 L281 R286 S287R279-K283 WeakPolarHBondContact O-CB 3.16Å; R279-K283 PolarHBondContact O-N 3.2Å; D280-K283 WeakPolarHBondContact O-CB 3.31Å; D280-K283 PolarHBondContact O-N 3.17Å; L281-K283 VanDerWaalsContact C-N 3.28Å; L281-K283 PolarHBondContact O-N 2.8Å; K283-R286 PolarHBondContact O-N 2.99Å; K283-S287 PolarHBondContact O-N 2.59Å
284E92Very high88.8Confident73 Ų7334 Ų3434%0.34117%0.168SC..Hα-helixtrans-63.1-43175.2-67-56.4163.900112L218 Y256 D280 L281 R286 S287 L288L218-E284 HydrophobicContact CD1-CB 4.07Å; Y256-E284 WeakPolarHBondContact OH-CG 3.49Å; D280-E284 WeakPolarHBondContact O-CG 3.33Å; D280-E284 PolarHBondContact O-N 2.65Å; L281-E284 PolarHBondContact O-N 2.86Å; E284-R286 VanDerWaalsContact C-N 3.28Å; E284-R286 PolarHBondContact O-N 2.62Å; E284-S287 PolarHBondContact O-N 3.5Å; E284-S287 VanDerWaalsContact O-N 3.09Å; E284-S287 PolarHBondContact O-OG 3.42Å; E284-L288 PolarHBondContact O-N 2.83Å
285L92.4Very high89Confident5 Ų537.8 Ų37.83%0.02618%0.182CC..Hα-helixtrans-62.6-36.6177-68.4177.6000112.2V64 F81 I152 L189 L281 C282 L288 L413V64-L285 HydrophobicContact CG1-CD2 4.22Å; V64-L285 HydrophobicContact CG2-CD2 4.05Å; F81-L285 HydrophobicContact CE2-CD1 4.06Å; F81-L285 HydrophobicContact CZ-CD1 4.43Å; I152-L285 VanDerWaalsContact CD1-O 3.22Å; I152-L285 WeakPolarHBondContact CD1-O 3.39Å; L189-L285 HydrophobicContact CD1-CD1 4.4Å; L189-L285 HydrophobicContact CD1-CD2 4.24Å; L189-L285 HydrophobicContact CD2-CD2 4.19Å; L189-L285 HydrophobicContact CG-CD2 4.47Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 2.9Å; C282-L285 PolarHBondContact O-N 2.79Å; L285-L288 HydrophobicContact CD2-CD1 4.01Å; L285-L288 WeakPolarHBondContact O-CB 3.13Å; L285-L288 PolarHBondContact O-N 2.81Å; L285-L413 HydrophobicContact CB-CD1 4.16Å; L285-L413 HydrophobicContact CD1-CD1 4.17Å; L285-L413 HydrophobicContact CD1-CD2 3.99Å
286R88.7Confident89.4Confident25 Ų2537.3 Ų37.39%0.09418%0.178CC..Hα-helixtrans-69.7-32.7173.1-68.9-169.8-54.1-114.67.1112.8C282 K283 E284 L288 T289 Y410 L413 A414 D415C282-R286 WeakPolarHBondContact O-CG 3.49Å; C282-R286 PolarHBondContact O-N 3.16Å; K283-R286 PolarHBondContact O-N 2.99Å; E284-R286 VanDerWaalsContact C-N 3.28Å; E284-R286 PolarHBondContact O-N 2.62Å; R286-L288 PolarHBondContact O-N 2.79Å; R286-T289 PolarHBondContact O-N 3.12Å; R286-T289 PolarHBondContact O-OG1 3.1Å; R286-Y410 HydrophobicContact CB-CE1 4.35Å; R286-Y410 HydrophobicContact CG-CD1 3.83Å; R286-Y410 HydrophobicContact CG-CD2 3.99Å; R286-Y410 HydrophobicContact CG-CE1 4.04Å; R286-Y410 HydrophobicContact CG-CE2 4.19Å; R286-Y410 HydrophobicContact CG-CG 3.81Å; R286-L413 WeakPolarHBondContact CD-O 3.5Å; R286-L413 PolarHBondContact NH1-O 3.16Å; R286-A414 PolarHBondContact NH1-O 3.43Å; R286-D415 IonicContact CZ-OD1 2.72Å; R286-D415 VanDerWaalsContact CZ-OD1 3.31Å; R286-D415 IonicContact CZ-OD2 2.74Å; R286-D415 IonicContact NH1-OD1 3.68Å; R286-D415 PolarHBondContact NH1-OD1 3.09Å; R286-D415 IonicContact NH2-OD1 3.34Å; R286-D415 PolarHBondContact NH2-OD1 3.37Å; R286-D415 IonicContact NH2-OD2 2.89Å; R286-D415 PolarHBondContact NH2-OD2 3.35Å; R286-D415 VanDerWaalsContact NH2-OD2 3.16Å
287S89.4Confident89.8Confident28 Ų2833.3 Ų33.320%0.19616%0.16CC..Hα-helixtrans-64.4-23.4179830000111.9K283 E284 T289 Y290 S291K283-S287 PolarHBondContact O-N 2.59Å; E284-S287 PolarHBondContact O-N 3.5Å; E284-S287 VanDerWaalsContact O-N 3.09Å; E284-S287 PolarHBondContact O-OG 3.42Å; S287-T289 VanDerWaalsContact C-N 3.27Å; S287-T289 PolarHBondContact O-N 2.91Å; S287-Y290 PolarHBondContact O-N 2.66Å; S287-Y290 VanDerWaalsContact O-N 3.09Å; S287-S291 PolarHBondContact O-N 2.69Å; S287-S291 PolarHBondContact O-OG 2.7Å; S287-S291 VanDerWaalsContact O-OG 3.1Å
288L90.7Very high89.8Confident7 Ų736.9 Ų36.94%0.03718%0.178CC..Hα-helixtrans-57.4-33.9176.3-61.4177.1000113.7P62 V64 D186 C187 E284 L285 R286 Y290 S291 I292P62-L288 HydrophobicContact CB-CB 3.99Å; P62-L288 HydrophobicContact CG-CB 4.27Å; V64-L288 HydrophobicContact CG2-CD1 3.66Å; D186-L288 HydrophobicContact CB-CD2 4.47Å; C187-L288 HydrophobicContact CB-CD1 3.55Å; C187-L288 HydrophobicContact CB-CD2 4.01Å; C187-L288 HydrophobicContact CB-CG 4.44Å; E284-L288 PolarHBondContact O-N 2.83Å; L285-L288 HydrophobicContact CD2-CD1 4.01Å; L285-L288 WeakPolarHBondContact O-CB 3.13Å; L285-L288 PolarHBondContact O-N 2.81Å; R286-L288 PolarHBondContact O-N 2.79Å; L288-Y290 PolarHBondContact O-N 2.85Å; L288-S291 WeakPolarHBondContact CA-OG 3.5Å; L288-I292 WeakPolarHBondContact O-CB 3.39Å; L288-I292 PolarHBondContact O-N 2.99Å; L288-I292 VanDerWaalsContact O-N 3.11Å
289T86.7Confident90Very high16 Ų1638.1 Ų38.110%0.09818%0.182CC..Hα-helixtrans-66.6-21.2179.760.90000113.1P62 H151 I152 R286 S287 Y410P62-T289 HydrophobicContact CG-CG2 4.32Å; H151-T289 HydrophobicContact CB-CG2 4.01Å; I152-T289 HydrophobicContact CG1-CG2 4.08Å; R286-T289 PolarHBondContact O-N 3.12Å; R286-T289 PolarHBondContact O-OG1 3.1Å; S287-T289 VanDerWaalsContact C-N 3.27Å; S287-T289 PolarHBondContact O-N 2.91Å; T289-Y410 HydrophobicContact CG2-CE1 3.78Å; T289-Y410 PolarHBondContact OG1-OH 2.98Å
290Y84.5Confident90.4Very high23 Ų2334.6 Ų34.69%0.0917%0.168CC..Hα-helixtrans-99.8-47.4178.8-56.8-75.6000110.6S287 L288 I292 H293 G404 I406S287-Y290 PolarHBondContact O-N 2.66Å; S287-Y290 VanDerWaalsContact O-N 3.09Å; L288-Y290 PolarHBondContact O-N 2.85Å; Y290-I292 PolarHBondContact O-N 2.97Å; Y290-H293 PolarHBondContact O-N 2.96Å; Y290-G404 VanDerWaalsContact CZ-N 3.25Å; Y290-G404 VanDerWaalsContact OH-CA 3.29Å; Y290-G404 WeakPolarHBondContact OH-CA 3.13Å; Y290-I406 HydrophobicContact CD1-CD1 4.16Å; Y290-I406 HydrophobicContact CD1-CG1 4.46Å; Y290-I406 HydrophobicContact CE1-CB 3.77Å; Y290-I406 HydrophobicContact CE1-CD1 3.94Å; Y290-I406 HydrophobicContact CE1-CG1 3.82Å; Y290-I406 PolarHBondContact OH-N 2.89Å; Y290-I406 PolarHBondContact OH-O 3.32Å
291S87.9Confident90.5Very high24 Ų2433.8 Ų33.817%0.16817%0.165CC..Hα-helixtrans-65.9-21.2-177.162.10000113.3S287 L288 H293 V294 R295S287-S291 PolarHBondContact O-N 2.69Å; S287-S291 PolarHBondContact O-OG 2.7Å; S287-S291 VanDerWaalsContact O-OG 3.1Å; L288-S291 WeakPolarHBondContact CA-OG 3.5Å; S291-H293 VanDerWaalsContact C-N 3.27Å; S291-H293 PolarHBondContact O-N 2.79Å; S291-V294 WeakPolarHBondContact O-CB 3.44Å; S291-V294 PolarHBondContact O-N 3.26Å; S291-V294 VanDerWaalsContact O-N 3.17Å; S291-R295 WeakPolarHBondContact O-CB 3.48Å; S291-R295 WeakPolarHBondContact O-CG 3.09Å; S291-R295 PolarHBondContact O-N 3.26Å
292I89.7Confident90.4Very high4 Ų438.7 Ų38.72%0.02119%0.188CC..Hα-helixtrans-55.3-39.7175.8-170168.4000113.4P62 L288 Y290 V294 R295 R296P62-I292 VanDerWaalsContact CA-CD1 3.48Å; P62-I292 HydrophobicContact CB-CB 4.43Å; P62-I292 HydrophobicContact CB-CD1 3.84Å; P62-I292 HydrophobicContact CG-CD1 4.33Å; P62-I292 VanDerWaalsContact N-CD1 3.32Å; L288-I292 WeakPolarHBondContact O-CB 3.39Å; L288-I292 PolarHBondContact O-N 2.99Å; L288-I292 VanDerWaalsContact O-N 3.11Å; Y290-I292 PolarHBondContact O-N 2.97Å; I292-V294 PolarHBondContact O-N 2.83Å; I292-R295 PolarHBondContact O-N 2.9Å; I292-R296 VanDerWaalsContact CD1-NH2 3.26Å; I292-R296 HydrophobicContact CG1-CG 4.3Å; I292-R296 WeakPolarHBondContact O-CB 3.3Å; I292-R296 VanDerWaalsContact O-CG 3.31Å; I292-R296 WeakPolarHBondContact O-CG 3.47Å; I292-R296 PolarHBondContact O-N 3.27Å
293H88.4Confident90.4Very high27 Ų2738.4 Ų38.413%0.12519%0.185CC..Hα-helixtrans-66.3-41-179.7-65.2-59.5000111.6M24 Y290 S291 L297M24-H293 HydrophobicContact CE-CB 3.86Å; M24-H293 HydrophobicContact SD-CB 3.82Å; Y290-H293 PolarHBondContact O-N 2.96Å; S291-H293 VanDerWaalsContact C-N 3.27Å; S291-H293 PolarHBondContact O-N 2.79Å; H293-L297 WeakPolarHBondContact O-CB 3.46Å; H293-L297 PolarHBondContact O-N 3.14Å; H293-L297 VanDerWaalsContact O-N 3.15Å
294V89.9Confident90.6Very high53 Ų5332.3 Ų32.332%0.32116%0.159SC..Hα-helixtrans-65-47.5175.5179.80000110S291 I292 L297 I298 I400S291-V294 WeakPolarHBondContact O-CB 3.44Å; S291-V294 PolarHBondContact O-N 3.26Å; S291-V294 VanDerWaalsContact O-N 3.17Å; I292-V294 PolarHBondContact O-N 2.83Å; V294-L297 WeakPolarHBondContact O-CB 3.14Å; V294-L297 PolarHBondContact O-N 3.16Å; V294-I298 HydrophobicContact CG1-CD1 3.83Å; V294-I298 HydrophobicContact CG1-CG1 4.43Å; V294-I298 WeakPolarHBondContact O-CG1 3.41Å; V294-I298 PolarHBondContact O-N 2.95Å; V294-I400 HydrophobicContact CB-CD1 4.49Å; V294-I400 HydrophobicContact CG2-CD1 3.75Å; V294-I400 HydrophobicContact CG2-CG2 3.8Å
295R89.4Confident90.5Very high84 Ų8431.4 Ų31.432%0.31716%0.156SC..Hα-helixtrans-63.2-45-177.7-73.6173.4173.9-164.9-5.2112.6D186 S291 I292 L297 I298 E299D186-R295 PolarHBondContact O-NH1 2.77Å; S291-R295 WeakPolarHBondContact O-CB 3.48Å; S291-R295 WeakPolarHBondContact O-CG 3.09Å; S291-R295 PolarHBondContact O-N 3.26Å; I292-R295 PolarHBondContact O-N 2.9Å; R295-L297 VanDerWaalsContact C-N 3.31Å; R295-L297 PolarHBondContact O-N 3.09Å; R295-I298 WeakPolarHBondContact O-CB 3.37Å; R295-I298 PolarHBondContact O-N 3.23Å; R295-E299 PolarHBondContact O-N 3.22Å
296R92.2Very high90.3Very high24 Ų2434 Ų349%0.09117%0.167CC..Hα-helixtrans-59.7-42.3173.6-74.8174.5168.5150.78.2112L28 E57 F58 C60 I292 I298 E299 V300L28-R296 HydrophobicContact CD2-CB 4Å; E57-R296 PolarHBondContact O-NE 2.96Å; E57-R296 PolarHBondContact O-NH2 3.38Å; F58-R296 PolarHBondContact O-NH1 3.38Å; C60-R296 PolarHBondContact O-NH1 3.19Å; C60-R296 VanDerWaalsContact O-NH1 3.1Å; C60-R296 PolarHBondContact O-NH2 3.1Å; C60-R296 PolarHBondContact SG-NH2 2.9Å; I292-R296 VanDerWaalsContact CD1-NH2 3.26Å; I292-R296 HydrophobicContact CG1-CG 4.3Å; I292-R296 WeakPolarHBondContact O-CB 3.3Å; I292-R296 VanDerWaalsContact O-CG 3.31Å; I292-R296 WeakPolarHBondContact O-CG 3.47Å; I292-R296 PolarHBondContact O-N 3.27Å; R296-I298 VanDerWaalsContact C-N 3.35Å; R296-E299 PolarHBondContact O-N 3.14Å; R296-V300 VanDerWaalsContact O-CG2 3.3Å; R296-V300 WeakPolarHBondContact O-CG2 3.49Å; R296-V300 PolarHBondContact O-N 3.15Å
297L93.6Very high90.3Very high5 Ų532.8 Ų32.83%0.02616%0.163CC..Hα-helixtrans-62.5-44.2176-179.264000111M24 L28 H293 V294 R295 V300 T301 V393 F396 L397 I400M24-L297 HydrophobicContact CE-CB 4.48Å; L28-L297 HydrophobicContact CD1-CD1 3.95Å; H293-L297 WeakPolarHBondContact O-CB 3.46Å; H293-L297 PolarHBondContact O-N 3.14Å; H293-L297 VanDerWaalsContact O-N 3.15Å; V294-L297 WeakPolarHBondContact O-CB 3.14Å; V294-L297 PolarHBondContact O-N 3.16Å; R295-L297 VanDerWaalsContact C-N 3.31Å; R295-L297 PolarHBondContact O-N 3.09Å; L297-V300 PolarHBondContact O-N 3.33Å; L297-T301 VanDerWaalsContact O-CB 3.24Å; L297-T301 WeakPolarHBondContact O-CB 3.2Å; L297-T301 PolarHBondContact O-N 3.45Å; L297-T301 PolarHBondContact O-OG1 3.17Å; L297-V393 HydrophobicContact CD1-CG2 4.41Å; L297-F396 HydrophobicContact CD1-CB 3.75Å; L297-F396 HydrophobicContact CD1-CD2 4.02Å; L297-F396 HydrophobicContact CD1-CG 3.94Å; L297-F396 HydrophobicContact CD2-CB 3.69Å; L297-F396 HydrophobicContact CG-CB 4.37Å; L297-L397 HydrophobicContact CD2-CD2 3.85Å; L297-L397 HydrophobicContact CD2-CG 4.11Å; L297-I400 HydrophobicContact CD2-CD1 4.17Å
298I91.7Very high90.4Very high84 Ų8433.4 Ų33.443%0.43116%0.161SC..Hα-helixtrans-59.3-46.9176-70.5168000110.6V294 R295 R296 V300 T301 Q302V294-I298 HydrophobicContact CG1-CD1 3.83Å; V294-I298 HydrophobicContact CG1-CG1 4.43Å; V294-I298 WeakPolarHBondContact O-CG1 3.41Å; V294-I298 PolarHBondContact O-N 2.95Å; R295-I298 WeakPolarHBondContact O-CB 3.37Å; R295-I298 PolarHBondContact O-N 3.23Å; R296-I298 VanDerWaalsContact C-N 3.35Å; I298-V300 PolarHBondContact O-N 3.01Å; I298-T301 WeakPolarHBondContact O-CB 3.13Å; I298-T301 PolarHBondContact O-N 2.86Å; I298-Q302 HydrophobicContact CG2-CG 4.32Å; I298-Q302 WeakPolarHBondContact O-CG 3.31Å; I298-Q302 PolarHBondContact O-N 3.16Å
299E91.1Very high90.2Very high63 Ų6333.2 Ų33.229%0.29416%0.16SC..Hα-helixtrans-60.6-48-179.9-177.6174-172.200112L53 R295 R296 T301 Q302 R303L53-E299 WeakPolarHBondContact CD2-OE1 3.42Å; R295-E299 PolarHBondContact O-N 3.22Å; R296-E299 PolarHBondContact O-N 3.14Å; E299-T301 VanDerWaalsContact C-N 3.29Å; E299-T301 PolarHBondContact O-N 3.43Å; E299-Q302 PolarHBondContact O-N 3.1Å; E299-R303 WeakPolarHBondContact O-CB 3.44Å; E299-R303 WeakPolarHBondContact O-CG 3.36Å; E299-R303 PolarHBondContact O-N 3.13Å
300V94.4Very high90.2Very high1 Ų132.8 Ų32.81%0.00616%0.157CC..Hα-helixtrans-64.2-37176.2179.20000111.2L28 Y32 V36 L53 F58 R296 L297 I298 R303 A304 F388L28-V300 HydrophobicContact CD1-CB 4.3Å; L28-V300 HydrophobicContact CD1-CG1 4.22Å; L28-V300 HydrophobicContact CD1-CG2 4.28Å; L28-V300 HydrophobicContact CD2-CG2 4.22Å; L28-V300 HydrophobicContact CG-CG2 4.24Å; Y32-V300 HydrophobicContact CD2-CG1 4Å; V36-V300 HydrophobicContact CG2-CG1 4.5Å; L53-V300 HydrophobicContact CD1-CG2 3.78Å; F58-V300 HydrophobicContact CE1-CG2 3.78Å; F58-V300 HydrophobicContact CZ-CG2 4.31Å; R296-V300 VanDerWaalsContact O-CG2 3.3Å; R296-V300 WeakPolarHBondContact O-CG2 3.49Å; R296-V300 PolarHBondContact O-N 3.15Å; L297-V300 PolarHBondContact O-N 3.33Å; I298-V300 PolarHBondContact O-N 3.01Å; V300-R303 WeakPolarHBondContact O-CB 3.32Å; V300-R303 PolarHBondContact O-N 3.46Å; V300-A304 WeakPolarHBondContact O-CB 3.47Å; V300-A304 PolarHBondContact O-N 3.24Å; V300-F388 HydrophobicContact CB-CZ 4.4Å; V300-F388 HydrophobicContact CG1-CE1 3.82Å; V300-F388 HydrophobicContact CG1-CE2 4.35Å; V300-F388 HydrophobicContact CG1-CZ 3.45Å; V300-F388 VanDerWaalsContact CG1-CZ 3.45Å
301T94Very high90.4Very high24 Ų2431.7 Ų31.715%0.14715%0.152CC..Hα-helixtrans-64.9-46.3177.4-60.20000111.2L297 I298 E299 R303 A304 I305 L389 V393L297-T301 VanDerWaalsContact O-CB 3.24Å; L297-T301 WeakPolarHBondContact O-CB 3.2Å; L297-T301 PolarHBondContact O-N 3.45Å; L297-T301 PolarHBondContact O-OG1 3.17Å; I298-T301 WeakPolarHBondContact O-CB 3.13Å; I298-T301 PolarHBondContact O-N 2.86Å; E299-T301 VanDerWaalsContact C-N 3.29Å; E299-T301 PolarHBondContact O-N 3.43Å; T301-R303 VanDerWaalsContact C-N 3.33Å; T301-R303 PolarHBondContact O-N 3.17Å; T301-A304 PolarHBondContact O-N 2.84Å; T301-I305 HydrophobicContact CG2-CD1 3.96Å; T301-I305 VanDerWaalsContact O-CG1 3.3Å; T301-I305 WeakPolarHBondContact O-CG1 3.49Å; T301-I305 PolarHBondContact O-N 3.21Å; T301-L389 HydrophobicContact CG2-CD2 3.84Å; T301-V393 HydrophobicContact CG2-CG2 4.24Å; T301-V393 WeakPolarHBondContact OG1-CG2 3.12Å
302Q90.4Very high90.4Very high104 Ų10430.7 Ų30.749%0.48615%0.145SC..Hα-helixtrans-60.7-43.6176.3-74.3174.4-13.600111.3I298 E299 A304 I305 H306I298-Q302 HydrophobicContact CG2-CG 4.32Å; I298-Q302 WeakPolarHBondContact O-CG 3.31Å; I298-Q302 PolarHBondContact O-N 3.16Å; E299-Q302 PolarHBondContact O-N 3.1Å; Q302-A304 PolarHBondContact O-N 2.79Å; Q302-I305 PolarHBondContact O-N 3.11Å; Q302-H306 PolarHBondContact O-N 3.1Å; Q302-H306 PolarHBondContact O-ND1 3.43Å; Q302-H306 VanDerWaalsContact O-ND1 3.15Å
303R91.9Very high90.2Very high4 Ų430.6 Ų30.62%0.01515%0.145CC..Hα-helixtrans-57.1-47.8172.8-82.4173.8163.1-92.8-4.6112.9Y32 E40 Y45 S50 P51 E299 V300 T301 I305 H306 A307Y32-R303 PolarHBondContact OH-NH1 2.77Å; E40-R303 VanDerWaalsContact OE1-CB 3.29Å; E40-R303 WeakPolarHBondContact OE1-CB 3.41Å; E40-R303 WeakPolarHBondContact OE1-CD 3.5Å; E40-R303 WeakPolarHBondContact OE1-CG 3.39Å; E40-R303 IonicContact OE1-CZ 2.68Å; E40-R303 IonicContact OE1-NH1 2.94Å; E40-R303 PolarHBondContact OE1-NH1 3.31Å; E40-R303 IonicContact OE2-NH1 3.78Å; E40-R303 PolarHBondContact OE2-NH1 3.27Å; Y45-R303 HydrophobicContact CE1-CG 3.99Å; S50-R303 PolarHBondContact O-NH2 2.99Å; S50-R303 VanDerWaalsContact O-NH2 3.16Å; S50-R303 PolarHBondContact OG-NH2 2.99Å; P51-R303 PolarHBondContact O-NH2 3.09Å; E299-R303 WeakPolarHBondContact O-CB 3.44Å; E299-R303 WeakPolarHBondContact O-CG 3.36Å; E299-R303 PolarHBondContact O-N 3.13Å; V300-R303 WeakPolarHBondContact O-CB 3.32Å; V300-R303 PolarHBondContact O-N 3.46Å; T301-R303 VanDerWaalsContact C-N 3.33Å; T301-R303 PolarHBondContact O-N 3.17Å; R303-I305 PolarHBondContact O-N 2.98Å; R303-H306 PolarHBondContact O-N 3.27Å; R303-A307 VanDerWaalsContact O-CB 3.29Å; R303-A307 WeakPolarHBondContact O-CB 3.14Å; R303-A307 PolarHBondContact O-N 3.35Å
304A93.4Very high90Very high0 Ų029.3 Ų29.30%014%0.139CC..Hα-helixtrans-63.8-40.2177.200000112.4V36 V300 T301 Q302 R308 L385 F388 L389V36-A304 HydrophobicContact CG1-CB 4.14Å; V36-A304 HydrophobicContact CG2-CB 3.87Å; V300-A304 WeakPolarHBondContact O-CB 3.47Å; V300-A304 PolarHBondContact O-N 3.24Å; T301-A304 PolarHBondContact O-N 2.84Å; Q302-A304 PolarHBondContact O-N 2.79Å; A304-R308 VanDerWaalsContact O-CB 3.27Å; A304-R308 WeakPolarHBondContact O-CB 3.34Å; A304-R308 PolarHBondContact O-N 2.75Å; A304-L385 HydrophobicContact CB-CD2 4.18Å; A304-F388 HydrophobicContact CB-CD1 3.61Å; A304-F388 HydrophobicContact CB-CE1 3.91Å; A304-L389 HydrophobicContact CB-CD2 3.85Å; A304-L389 HydrophobicContact CB-CG 4.21Å
305I90.5Very high90Very high55 Ų5528.5 Ų28.528%0.28213%0.133SC..Hα-helixtrans-59.7-51174.1-72.3165.6000110.1T301 Q302 R303 R308 M309 L389T301-I305 HydrophobicContact CG2-CD1 3.96Å; T301-I305 VanDerWaalsContact O-CG1 3.3Å; T301-I305 WeakPolarHBondContact O-CG1 3.49Å; T301-I305 PolarHBondContact O-N 3.21Å; Q302-I305 PolarHBondContact O-N 3.11Å; R303-I305 PolarHBondContact O-N 2.98Å; I305-R308 PolarHBondContact O-N 3.22Å; I305-M309 HydrophobicContact CG2-CE 3.52Å; I305-M309 HydrophobicContact CG2-SD 4.2Å; I305-M309 WeakPolarHBondContact O-CG 3.32Å; I305-M309 PolarHBondContact O-N 3.21Å; I305-L389 HydrophobicContact CD1-CD2 4.44Å; I305-L389 HydrophobicContact CG1-CD1 3.97Å; I305-L389 HydrophobicContact CG1-CD2 3.72Å
306H87.6Confident89.8Confident58 Ų5825.2 Ų25.227%0.26912%0.121SC..Hα-helixtrans-61.2-51.8178.6-63.9145.9000111.6Y45 Q302 R303 R308 M309 F310Y45-H306 HydrophobicContact CE2-CB 3.73Å; Y45-H306 PolarHBondContact OH-ND1 3.27Å; Q302-H306 PolarHBondContact O-N 3.1Å; Q302-H306 PolarHBondContact O-ND1 3.43Å; Q302-H306 VanDerWaalsContact O-ND1 3.15Å; R303-H306 PolarHBondContact O-N 3.27Å; H306-R308 PolarHBondContact O-N 3.33Å; H306-M309 PolarHBondContact O-N 2.93Å; H306-F310 HydrophobicContact CB-CD2 4.41Å; H306-F310 HydrophobicContact CB-CE2 4.39Å; H306-F310 WeakPolarHBondContact O-CD2 3.27Å; H306-F310 PolarHBondContact O-N 2.82Å
307A89.6Confident89.4Confident0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-54.8-42178.700000111.6T39 E40 L43 R303 A311 L385T39-A307 HydrophobicContact CG2-CB 4.44Å; E40-A307 HydrophobicContact CG-CB 4.34Å; L43-A307 WeakPolarHBondContact CD1-O 3.25Å; R303-A307 VanDerWaalsContact O-CB 3.29Å; R303-A307 WeakPolarHBondContact O-CB 3.14Å; R303-A307 PolarHBondContact O-N 3.35Å; A307-A311 VanDerWaalsContact O-CB 3.32Å; A307-A311 WeakPolarHBondContact O-CB 3.18Å; A307-A311 PolarHBondContact O-N 3.23Å; A307-L385 HydrophobicContact CB-CD1 4.14Å; A307-L385 HydrophobicContact CB-CD2 4.3Å
308R90.7Very high89Confident41 Ų4125.3 Ų25.316%0.15512%0.122CC..Hα-helixtrans-62.5-48.1175.3-174.2-177.364.5179.2-1.1111.3A304 I305 H306 F310 A311 L312 L385 L389A304-R308 VanDerWaalsContact O-CB 3.27Å; A304-R308 WeakPolarHBondContact O-CB 3.34Å; A304-R308 PolarHBondContact O-N 2.75Å; I305-R308 PolarHBondContact O-N 3.22Å; H306-R308 PolarHBondContact O-N 3.33Å; R308-F310 PolarHBondContact O-N 3.37Å; R308-A311 WeakPolarHBondContact O-CB 3.19Å; R308-A311 PolarHBondContact O-N 2.87Å; R308-L312 HydrophobicContact CG-CD1 4.35Å; R308-L312 HydrophobicContact CG-CG 4.5Å; R308-L312 VanDerWaalsContact O-CG 3.31Å; R308-L312 WeakPolarHBondContact O-CG 3.45Å; R308-L312 PolarHBondContact O-N 2.8Å; R308-L385 HydrophobicContact CB-CB 4.23Å; R308-L385 HydrophobicContact CB-CD1 4Å; R308-L389 VanDerWaalsContact CZ-CD1 3.47Å
309M87.5Confident88.7Confident3 Ų325.1 Ų25.12%0.01513%0.133CC..Hα-helixtrans-62-43.6-179.6-70.6-175.2-6000112.2I305 H306 A311 L312 I313 L351 D355I305-M309 HydrophobicContact CG2-CE 3.52Å; I305-M309 HydrophobicContact CG2-SD 4.2Å; I305-M309 WeakPolarHBondContact O-CG 3.32Å; I305-M309 PolarHBondContact O-N 3.21Å; H306-M309 PolarHBondContact O-N 2.93Å; M309-A311 VanDerWaalsContact C-N 3.33Å; M309-A311 PolarHBondContact O-N 2.85Å; M309-L312 PolarHBondContact O-N 2.74Å; M309-I313 VanDerWaalsContact O-CG1 3.31Å; M309-I313 WeakPolarHBondContact O-CG1 3.45Å; M309-I313 PolarHBondContact O-N 3.22Å; M309-L351 HydrophobicContact CG-CD1 4.38Å; M309-D355 WeakPolarHBondContact CE-O 3.25Å; M309-D355 HydrophobicContact SD-CB 4.07Å
310F85.3Confident88.3Confident7 Ų726.1 Ų26.13%0.03113%0.134CC..Hα-helixtrans-63.1-39.1174.5-78.5-72.4000112.2L43 F48 H306 R308 I313 S314 P357 M362 L365L43-F310 HydrophobicContact CD1-CB 3.66Å; L43-F310 HydrophobicContact CD2-CB 4.16Å; L43-F310 HydrophobicContact CG-CB 4.49Å; F48-F310 AromaticContact CD1-CE2 3.63Å; F48-F310 HydrophobicContact CD1-CE2 3.63Å; F48-F310 AromaticContact CD1-CZ 3.49Å; F48-F310 HydrophobicContact CD1-CZ 3.49Å; F48-F310 VanDerWaalsContact CD1-CZ 3.49Å; F48-F310 AromaticContact CE1-CE2 3.68Å; F48-F310 HydrophobicContact CE1-CE2 3.68Å; F48-F310 AromaticContact CE1-CZ 3.61Å; F48-F310 HydrophobicContact CE1-CZ 3.61Å; F48-F310 HydrophobicContact CG-CZ 4.11Å; F48-F310 HydrophobicContact CZ-CZ 4.34Å; H306-F310 HydrophobicContact CB-CD2 4.41Å; H306-F310 HydrophobicContact CB-CE2 4.39Å; H306-F310 WeakPolarHBondContact O-CD2 3.27Å; H306-F310 PolarHBondContact O-N 2.82Å; R308-F310 PolarHBondContact O-N 3.37Å; F310-I313 PolarHBondContact O-N 3.31Å; F310-S314 WeakPolarHBondContact O-CB 3.39Å; F310-S314 PolarHBondContact O-N 2.92Å; F310-P357 HydrophobicContact CD1-CG 4.31Å; F310-P357 HydrophobicContact CD2-CG 4.4Å; F310-P357 HydrophobicContact CE1-CB 3.96Å; F310-P357 HydrophobicContact CE1-CG 3.83Å; F310-P357 HydrophobicContact CE2-CB 4.4Å; F310-P357 HydrophobicContact CE2-CG 3.9Å; F310-P357 HydrophobicContact CZ-CB 3.68Å; F310-P357 HydrophobicContact CZ-CG 3.59Å; F310-M362 HydrophobicContact CD1-CE 3.53Å; F310-M362 HydrophobicContact CD1-SD 4.25Å; F310-M362 HydrophobicContact CE1-CE 3.49Å; F310-M362 VanDerWaalsContact CE1-CE 3.49Å; F310-M362 HydrophobicContact CE1-SD 4.26Å; F310-L365 HydrophobicContact CD1-CD1 4.24Å; F310-L365 HydrophobicContact CE1-CD1 4.26Å
311A88.2Confident87.7Confident0 Ų027.9 Ų27.90%014%0.141CC..Hα-helixtrans-61.7-45.9175.800000112.3T39 L43 A307 R308 M309 S314 N315 I377 V382T39-A311 HydrophobicContact CG2-CB 4.36Å; L43-A311 HydrophobicContact CD1-CB 4.47Å; A307-A311 VanDerWaalsContact O-CB 3.32Å; A307-A311 WeakPolarHBondContact O-CB 3.18Å; A307-A311 PolarHBondContact O-N 3.23Å; R308-A311 WeakPolarHBondContact O-CB 3.19Å; R308-A311 PolarHBondContact O-N 2.87Å; M309-A311 VanDerWaalsContact C-N 3.33Å; M309-A311 PolarHBondContact O-N 2.85Å; A311-S314 WeakPolarHBondContact O-CB 3.35Å; A311-S314 PolarHBondContact O-N 2.85Å; A311-N315 PolarHBondContact O-N 2.91Å; A311-I377 HydrophobicContact CB-CB 4.32Å; A311-I377 HydrophobicContact CB-CD1 3.67Å; A311-I377 HydrophobicContact CB-CG1 4.4Å; A311-I377 HydrophobicContact CB-CG2 4.19Å; A311-V382 HydrophobicContact CB-CG2 4.11Å
312L88.7Confident87.1Confident4 Ų429.8 Ų29.82%0.02115%0.154CC..Hα-helixtrans-62.2-45.2178.2-66.4179.5000111.8R308 M309 S314 N315 E316 Y349 V382R308-L312 HydrophobicContact CG-CD1 4.35Å; R308-L312 HydrophobicContact CG-CG 4.5Å; R308-L312 VanDerWaalsContact O-CG 3.31Å; R308-L312 WeakPolarHBondContact O-CG 3.45Å; R308-L312 PolarHBondContact O-N 2.8Å; M309-L312 PolarHBondContact O-N 2.74Å; L312-S314 VanDerWaalsContact C-N 3.33Å; L312-S314 PolarHBondContact O-N 2.97Å; L312-N315 PolarHBondContact O-N 3.15Å; L312-E316 WeakPolarHBondContact O-CG 3.48Å; L312-E316 PolarHBondContact O-N 3Å; L312-E316 VanDerWaalsContact O-N 3.08Å; L312-Y349 HydrophobicContact CB-CE2 4.48Å; L312-Y349 HydrophobicContact CD1-CD1 3.8Å; L312-Y349 HydrophobicContact CD1-CD2 3.97Å; L312-Y349 HydrophobicContact CD1-CE1 3.97Å; L312-Y349 HydrophobicContact CD1-CE2 4.14Å; L312-Y349 HydrophobicContact CD1-CG 3.8Å; L312-Y349 HydrophobicContact CD2-CD1 4.33Å; L312-Y349 HydrophobicContact CD2-CE1 3.63Å; L312-Y349 HydrophobicContact CD2-CE2 3.99Å; L312-Y349 VanDerWaalsContact CD2-CZ 3.44Å; L312-Y349 WeakPolarHBondContact CD2-OH 3.36Å; L312-Y349 HydrophobicContact CG-CE1 4.42Å; L312-Y349 HydrophobicContact CG-CE2 4.42Å; L312-V382 HydrophobicContact CD2-CG1 3.91Å
313I86Confident86.4Confident1 Ų127.6 Ų27.61%0.00515%0.149CC..Hα-helixtrans-64.4-40.1177.6-65.9166.5000110.9M309 F310 E316 L317 L337 I341 Y342 V345 L356 P357 M362M309-I313 VanDerWaalsContact O-CG1 3.31Å; M309-I313 WeakPolarHBondContact O-CG1 3.45Å; M309-I313 PolarHBondContact O-N 3.22Å; F310-I313 PolarHBondContact O-N 3.31Å; I313-E316 PolarHBondContact O-N 3.38Å; I313-L317 HydrophobicContact CG2-CD1 4.35Å; I313-L317 PolarHBondContact O-N 3.37Å; I313-L337 HydrophobicContact CG2-CD2 3.71Å; I313-I341 HydrophobicContact CG2-CG2 4.3Å; I313-Y342 HydrophobicContact CD1-CE1 3.93Å; I313-V345 HydrophobicContact CG1-CG2 4.41Å; I313-L356 HydrophobicContact CD1-CD2 4.39Å; I313-P357 HydrophobicContact CD1-CG 4.35Å; I313-M362 HydrophobicContact CB-CE 4.26Å; I313-M362 HydrophobicContact CD1-CE 3.58Å; I313-M362 HydrophobicContact CG2-CE 3.82Å; I313-M362 HydrophobicContact CG2-SD 4.05Å
314S84.9Confident85.7Confident0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-60.5-47.9176.2-170.10000111.6F310 A311 L312 E316 L317 H318 P375F310-S314 WeakPolarHBondContact O-CB 3.39Å; F310-S314 PolarHBondContact O-N 2.92Å; A311-S314 WeakPolarHBondContact O-CB 3.35Å; A311-S314 PolarHBondContact O-N 2.85Å; L312-S314 VanDerWaalsContact C-N 3.33Å; L312-S314 PolarHBondContact O-N 2.97Å; S314-E316 PolarHBondContact O-N 3.33Å; S314-L317 WeakPolarHBondContact O-CB 3.34Å; S314-L317 PolarHBondContact O-N 3.42Å; S314-L317 VanDerWaalsContact O-N 3.12Å; S314-H318 PolarHBondContact O-CD2 3.31Å; S314-H318 PolarHBondContact O-N 3.14Å; S314-P375 PolarHBondContact OG-O 3.28Å
315N88.2Confident84.8Confident37 Ų3735.5 Ų35.520%0.19819%0.186CC..Hα-helixtrans-65-39.6-178.7-72.6-0.1000112.2A311 L312 L317 H318 A319 I377A311-N315 PolarHBondContact O-N 2.91Å; L312-N315 PolarHBondContact O-N 3.15Å; N315-L317 VanDerWaalsContact C-N 3.32Å; N315-L317 PolarHBondContact O-N 3.03Å; N315-H318 PolarHBondContact O-N 2.84Å; N315-A319 WeakPolarHBondContact O-CB 3.49Å; N315-A319 PolarHBondContact O-N 3.5Å; N315-I377 PolarHBondContact ND2-O 3.49Å; N315-I377 PolarHBondContact OD1-N 3.4Å; N315-I377 PolarHBondContact OD1-O 3.46Å
316E85.5Confident84Confident14 Ų1432.9 Ų32.97%0.06517%0.173CC..Hα-helixtrans-65.5-34.9173.4-68.5-63.8170.100112.1L312 I313 S314 A319 R320 I341 V345 R348L312-E316 WeakPolarHBondContact O-CG 3.48Å; L312-E316 PolarHBondContact O-N 3Å; L312-E316 VanDerWaalsContact O-N 3.08Å; I313-E316 PolarHBondContact O-N 3.38Å; S314-E316 PolarHBondContact O-N 3.33Å; E316-A319 PolarHBondContact O-N 3.28Å; E316-R320 VanDerWaalsContact O-CD 3.3Å; E316-R320 WeakPolarHBondContact O-CD 3.34Å; E316-R320 WeakPolarHBondContact O-CG 3.44Å; E316-R320 PolarHBondContact O-N 2.92Å; E316-I341 HydrophobicContact CB-CG2 3.98Å; E316-V345 HydrophobicContact CG-CG2 3.95Å; E316-R348 IonicContact OE1-CZ 2.63Å; E316-R348 IonicContact OE1-NE 3.69Å; E316-R348 IonicContact OE1-NH1 3.99Å; E316-R348 PolarHBondContact OE1-NH1 2.88Å; E316-R348 IonicContact OE2-NH1 3.65Å
317L83.9Confident83.1Confident0 Ų033.5 Ų33.50%018%0.178CC..Hα-helixtrans-63.6-46.2172.8-85.1169.6000112.2I313 S314 N315 A319 R320 Y321 F326 I333 L337 I341 L366 L374I313-L317 HydrophobicContact CG2-CD1 4.35Å; I313-L317 PolarHBondContact O-N 3.37Å; S314-L317 WeakPolarHBondContact O-CB 3.34Å; S314-L317 PolarHBondContact O-N 3.42Å; S314-L317 VanDerWaalsContact O-N 3.12Å; N315-L317 VanDerWaalsContact C-N 3.32Å; N315-L317 PolarHBondContact O-N 3.03Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 2.92Å; L317-R320 PolarHBondContact O-N 3.1Å; L317-Y321 PolarHBondContact O-N 3.48Å; L317-F326 HydrophobicContact CB-CE1 4.25Å; L317-F326 HydrophobicContact CB-CZ 4.16Å; L317-I333 HydrophobicContact CD2-CG2 3.63Å; L317-L337 HydrophobicContact CD1-CD2 4.17Å; L317-L337 HydrophobicContact CD2-CD2 4.41Å; L317-L337 HydrophobicContact CG-CD2 4.36Å; L317-I341 HydrophobicContact CD2-CD1 3.33Å; L317-I341 HydrophobicContact CG-CD1 3.69Å; L317-L366 HydrophobicContact CD1-CD2 4.29Å; L317-L374 HydrophobicContact CD1-CD1 3.52Å
318H84.9Confident82.4Confident31 Ų3140.2 Ų40.214%0.14421%0.213CC..Hα-helixtrans-65.4-33.7177.9-81-75.4000113S314 N315 R320 F326 L374 P375 E376S314-H318 PolarHBondContact O-CD2 3.31Å; S314-H318 PolarHBondContact O-N 3.14Å; N315-H318 PolarHBondContact O-N 2.84Å; H318-R320 PolarHBondContact O-N 3.29Å; H318-F326 AromaticContact CE1-CE2 3.65Å; H318-F326 AromaticContact CE1-CZ 3.94Å; H318-F326 AromaticContact ND1-CZ 3.99Å; H318-F326 AromaticContact NE2-CE2 3.85Å; H318-L374 PolarHBondContact CE1-O 2.98Å; H318-L374 PolarHBondContact NE2-O 3.23Å; H318-P375 VanDerWaalsContact NE2-C 3.34Å; H318-E376 HydrophobicContact CB-CB 4.45Å; H318-E376 HydrophobicContact CB-CG 4.25Å; H318-E376 PolarHBondContact NE2-N 2.87Å; H318-E376 VanDerWaalsContact NE2-N 3.15Å
319A85.7Confident81.6Confident81 Ų8141 Ų4167%0.66922%0.22SC*.Hα-helixtrans-63.6-27.3174.700000112.9N315 E316 L317N315-A319 WeakPolarHBondContact O-CB 3.49Å; N315-A319 PolarHBondContact O-N 3.5Å; E316-A319 PolarHBondContact O-N 3.28Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 2.92Å
320R84.1Confident80.8Confident83 Ų8344.7 Ų44.731%0.31324%0.236SC..Hα-helixtrans-102.2-34.8-173.7-70162.5165.5-112.92.7113.6E316 L317 H318 E340 E344E316-R320 VanDerWaalsContact O-CD 3.3Å; E316-R320 WeakPolarHBondContact O-CD 3.34Å; E316-R320 WeakPolarHBondContact O-CG 3.44Å; E316-R320 PolarHBondContact O-N 2.92Å; L317-R320 PolarHBondContact O-N 3.1Å; H318-R320 PolarHBondContact O-N 3.29Å; R320-E340 IonicContact CZ-OE2 3.72Å; R320-E340 VanDerWaalsContact NH1-CB 3.3Å; R320-E340 IonicContact NH1-OE2 2.64Å; R320-E340 PolarHBondContact NH1-OE2 3.19Å; R320-E340 IonicContact NH2-OE2 3.27Å; R320-E344 IonicContact CZ-OE2 3.4Å; R320-E344 IonicContact NE-OE2 3.42Å; R320-E344 PolarHBondContact NE-OE2 2.67Å; R320-E344 IonicContact NH2-OE2 3.98Å; R320-E344 PolarHBondContact NH2-OE2 3.41Å
321Y81.9Confident80.2Confident38 Ų3852.5 Ų52.515%0.14927%0.272CS..SBendtrans-133.9134.7-173.9-64-81.4000111.1L317 L329 C336L317-Y321 PolarHBondContact O-N 3.48Å; Y321-L329 HydrophobicContact CD1-CD1 4.49Å; Y321-L329 HydrophobicContact CE1-CD1 4.45Å; Y321-C336 HydrophobicContact CE2-CB 4.39Å
322P81Confident79.6Confident64 Ų6460.1 Ų60.142%0.41630%0.301SS..  trans-61.2144.7168.2-22.633.5000111.6F324 C325P322-F324 VanDerWaalsContact C-N 3.26Å; P322-F324 HydrophobicContact CB-CD1 3.57Å; P322-F324 HydrophobicContact CB-CE1 3.3Å; P322-F324 HydrophobicContact CB-CZ 4.14Å; P322-F324 HydrophobicContact CG-CE1 3.91Å; P322-F324 HydrophobicContact CG-CZ 4.4Å; P322-F324 PolarHBondContact O-N 3.26Å; P322-F324 VanDerWaalsContact O-N 3.13Å; P322-C325 VanDerWaalsContact O-CB 3.29Å; P322-C325 WeakPolarHBondContact O-CB 3.03Å; P322-C325 PolarHBondContact O-N 2.9Å
323P74.6Confident79Confident58 Ų5860 Ų6038%0.37730%0.301SS..G310 helixtrans-58.4-33.2-17416.9-30.2000114.3C325 F326 T373P323-C325 PolarHBondContact O-N 3.41Å; P323-C325 VanDerWaalsContact O-N 3.15Å; P323-F326 HydrophobicContact CB-CD2 4.38Å; P323-F326 HydrophobicContact CB-CE2 4.14Å; P323-F326 WeakPolarHBondContact O-CB 3.49Å; P323-F326 WeakPolarHBondContact O-CD2 3.4Å; P323-F326 WeakPolarHBondContact O-CG 3.4Å; P323-F326 PolarHBondContact O-N 3.47Å; P323-F326 VanDerWaalsContact O-N 3.15Å; P323-T373 HydrophobicContact CB-CG2 3.63Å
324F77.7Confident78.3Confident150 Ų15060.6 Ų60.666%0.65831%0.306SS*.G310 helixtrans-64.8-18.9178.674.6-95.7000113.3P322P322-F324 VanDerWaalsContact C-N 3.26Å; P322-F324 HydrophobicContact CB-CD1 3.57Å; P322-F324 HydrophobicContact CB-CE1 3.3Å; P322-F324 HydrophobicContact CB-CZ 4.14Å; P322-F324 HydrophobicContact CG-CE1 3.91Å; P322-F324 HydrophobicContact CG-CZ 4.4Å; P322-F324 PolarHBondContact O-N 3.26Å; P322-F324 VanDerWaalsContact O-N 3.13Å
325C74.8Confident78Confident21 Ų2163.8 Ų63.814%0.14233%0.325CS..G310 helixtrans-80.8-16.4178.6-69.60000113.1P322 P323 N327 L328 L329P322-C325 VanDerWaalsContact O-CB 3.29Å; P322-C325 WeakPolarHBondContact O-CB 3.03Å; P322-C325 PolarHBondContact O-N 2.9Å; P323-C325 PolarHBondContact O-N 3.41Å; P323-C325 VanDerWaalsContact O-N 3.15Å; C325-N327 VanDerWaalsContact C-N 3.34Å; C325-N327 PolarHBondContact O-N 3.31Å; C325-L328 PolarHBondContact O-N 3.26Å; C325-L328 VanDerWaalsContact O-N 3.17Å; C325-L329 HydrophobicContact CB-CD1 4.18Å; C325-L329 WeakPolarHBondContact O-CB 3.31Å; C325-L329 PolarHBondContact O-N 3.23Å
326F73.1Confident77.6Confident0 Ų062.2 Ų62.20%032%0.317CS..THydrogen-bonded Turntrans-60.1-42.5-171.3-65.6-25.1000113.2L317 H318 P323 K330 I333 T373 L374L317-F326 HydrophobicContact CB-CE1 4.25Å; L317-F326 HydrophobicContact CB-CZ 4.16Å; H318-F326 AromaticContact CE1-CE2 3.65Å; H318-F326 AromaticContact CE1-CZ 3.94Å; H318-F326 AromaticContact ND1-CZ 3.99Å; H318-F326 AromaticContact NE2-CE2 3.85Å; P323-F326 HydrophobicContact CB-CD2 4.38Å; P323-F326 HydrophobicContact CB-CE2 4.14Å; P323-F326 WeakPolarHBondContact O-CB 3.49Å; P323-F326 WeakPolarHBondContact O-CD2 3.4Å; P323-F326 WeakPolarHBondContact O-CG 3.4Å; P323-F326 PolarHBondContact O-N 3.47Å; P323-F326 VanDerWaalsContact O-N 3.15Å; F326-K330 WeakPolarHBondContact O-CG 3.47Å; F326-K330 PolarHBondContact O-N 3.09Å; F326-I333 VanDerWaalsContact CA-CD1 3.45Å; F326-I333 HydrophobicContact CB-CD1 4.25Å; F326-I333 HydrophobicContact CD1-CD1 3.77Å; F326-I333 HydrophobicContact CG-CD1 4.45Å; F326-T373 HydrophobicContact CD2-CG2 3.84Å; F326-T373 HydrophobicContact CE2-CG2 4.17Å; F326-L374 HydrophobicContact CE2-CB 4.35Å
327N70Confident77.4Confident71 Ų7161.6 Ų61.638%0.3831%0.314SS..THydrogen-bonded Turntrans-75.2-30.1178.2-78.5-40.1000114.3C325 K330 D371C325-N327 VanDerWaalsContact C-N 3.34Å; C325-N327 PolarHBondContact O-N 3.31Å; N327-K330 WeakPolarHBondContact O-CG 3.37Å; N327-K330 WeakPolarHBondContact OD1-CE 3.3Å; N327-K330 PolarHBondContact OD1-NZ 3.08Å; N327-D371 PolarHBondContact ND2-O 3.35Å
328L73.2Confident77.2Confident141 Ų14164 Ų6474%0.73833%0.331SS*.THydrogen-bonded Turntrans-79.8-34.1-177.5-68.4169.6000111.9C325C325-L328 PolarHBondContact O-N 3.26Å; C325-L328 VanDerWaalsContact O-N 3.17Å
329L75.7Confident77Confident57 Ų5768.9 Ų68.930%0.29835%0.354SS..SBendtrans-10927.1-173.4-67.8177.5000112.7Y321 C325 Q331 R332 I333Y321-L329 HydrophobicContact CD1-CD1 4.49Å; Y321-L329 HydrophobicContact CE1-CD1 4.45Å; C325-L329 HydrophobicContact CB-CD1 4.18Å; C325-L329 WeakPolarHBondContact O-CB 3.31Å; C325-L329 PolarHBondContact O-N 3.23Å; L329-Q331 VanDerWaalsContact C-N 3.31Å; L329-Q331 PolarHBondContact O-N 2.9Å; L329-Q331 VanDerWaalsContact O-N 3.15Å; L329-R332 HydrophobicContact CB-CB 4.23Å; L329-R332 HydrophobicContact CD2-CB 4.43Å; L329-R332 CarbonylContact O-C 3.57Å; L329-R332 WeakPolarHBondContact O-CA 3.35Å; L329-R332 PolarHBondContact O-N 3.4Å; L329-I333 HydrophobicContact CB-CD1 4.01Å; L329-I333 HydrophobicContact CB-CG1 4.18Å; L329-I333 WeakPolarHBondContact O-CG1 3.3Å; L329-I333 PolarHBondContact O-N 2.96Å
330K70.6Confident76.9Confident81 Ų8169.5 Ų69.535%0.35234%0.343SS..Hα-helixtrans-46.6-49.1-175.8-72.5-177.8-178.6-172.90113.9F326 N327 I333 A334F326-K330 WeakPolarHBondContact O-CG 3.47Å; F326-K330 PolarHBondContact O-N 3.09Å; N327-K330 WeakPolarHBondContact O-CG 3.37Å; N327-K330 WeakPolarHBondContact OD1-CE 3.3Å; N327-K330 PolarHBondContact OD1-NZ 3.08Å; K330-I333 PolarHBondContact O-N 3.29Å; K330-A334 WeakPolarHBondContact O-CB 3.28Å; K330-A334 PolarHBondContact O-N 3.09Å
331Q71.7Confident76.9Confident170 Ų17065.6 Ų65.679%0.79433%0.328SS*.Hα-helixtrans-65.1-42.7178.4-72.2-178.4-12.200112.2L329 A334 T335L329-Q331 VanDerWaalsContact C-N 3.31Å; L329-Q331 PolarHBondContact O-N 2.9Å; L329-Q331 VanDerWaalsContact O-N 3.15Å; Q331-A334 WeakPolarHBondContact O-CB 3.22Å; Q331-A334 PolarHBondContact O-N 2.86Å; Q331-T335 PolarHBondContact O-N 3Å; Q331-T335 PolarHBondContact O-OG1 3.3Å; Q331-T335 VanDerWaalsContact O-OG1 3.08Å
332R75.5Confident77.2Confident161 Ų16164.8 Ų64.861%0.60833%0.325SS*.Hα-helixtrans-67.9-38179.5-173.2173.6-1751622.2111.8L329 T335 C336L329-R332 HydrophobicContact CB-CB 4.23Å; L329-R332 HydrophobicContact CD2-CB 4.43Å; L329-R332 CarbonylContact O-C 3.57Å; L329-R332 WeakPolarHBondContact O-CA 3.35Å; L329-R332 PolarHBondContact O-N 3.4Å; R332-T335 PolarHBondContact O-N 3.47Å; R332-C336 VanDerWaalsContact O-CB 3.22Å; R332-C336 WeakPolarHBondContact O-CB 3.42Å; R332-C336 PolarHBondContact O-N 2.97Å
333I76Confident77.5Confident1 Ų164.1 Ų64.11%0.00532%0.321CS..Hα-helixtrans-67.9-40.5175.3-67.5162.6000110.2L317 F326 L329 K330 T335 C336 L337 L366L317-I333 HydrophobicContact CD2-CG2 3.63Å; F326-I333 VanDerWaalsContact CA-CD1 3.45Å; F326-I333 HydrophobicContact CB-CD1 4.25Å; F326-I333 HydrophobicContact CD1-CD1 3.77Å; F326-I333 HydrophobicContact CG-CD1 4.45Å; L329-I333 HydrophobicContact CB-CD1 4.01Å; L329-I333 HydrophobicContact CB-CG1 4.18Å; L329-I333 WeakPolarHBondContact O-CG1 3.3Å; L329-I333 PolarHBondContact O-N 2.96Å; K330-I333 PolarHBondContact O-N 3.29Å; I333-T335 PolarHBondContact O-N 3.39Å; I333-C336 CarbonylContact O-C 3.55Å; I333-C336 WeakPolarHBondContact O-CB 3.39Å; I333-C336 PolarHBondContact O-N 3.31Å; I333-L337 HydrophobicContact CG2-CD1 4.14Å; I333-L337 HydrophobicContact CG2-CG 4.32Å; I333-L337 WeakPolarHBondContact O-CB 3.5Å; I333-L337 VanDerWaalsContact O-CG 3.29Å; I333-L337 WeakPolarHBondContact O-CG 3.44Å; I333-L337 PolarHBondContact O-N 2.98Å; I333-L366 HydrophobicContact CB-CD1 4.46Å; I333-L366 HydrophobicContact CG2-CD1 3.48Å; I333-L366 VanDerWaalsContact CG2-CD1 3.48Å
334A72.4Confident77.9Confident14 Ų1464.4 Ų64.412%0.11632%0.317CS..Hα-helixtrans-59.3-44.7174.100000112.1K330 Q331 L337 S338 Q363K330-A334 WeakPolarHBondContact O-CB 3.28Å; K330-A334 PolarHBondContact O-N 3.09Å; Q331-A334 WeakPolarHBondContact O-CB 3.22Å; Q331-A334 PolarHBondContact O-N 2.86Å; A334-L337 PolarHBondContact O-N 3.32Å; A334-S338 PolarHBondContact O-N 3.37Å; A334-S338 PolarHBondContact O-OG 2.9Å; A334-Q363 HydrophobicContact CB-CG 4.08Å
335T77.3Confident78.3Confident67 Ų6757.3 Ų57.341%0.41129%0.286SS..Hα-helixtrans-64.7-43.6173.9-51.60000111.6Q331 R332 I333 L337 S338 E339Q331-T335 PolarHBondContact O-N 3Å; Q331-T335 PolarHBondContact O-OG1 3.3Å; Q331-T335 VanDerWaalsContact O-OG1 3.08Å; R332-T335 PolarHBondContact O-N 3.47Å; I333-T335 PolarHBondContact O-N 3.39Å; T335-L337 VanDerWaalsContact C-N 3.29Å; T335-L337 PolarHBondContact O-N 2.88Å; T335-S338 PolarHBondContact O-N 2.83Å; T335-S338 PolarHBondContact O-OG 3.34Å; T335-E339 HydrophobicContact CG2-CG 4.24Å; T335-E339 WeakPolarHBondContact O-CB 3.43Å; T335-E339 WeakPolarHBondContact O-CG 3.4Å; T335-E339 PolarHBondContact O-N 3.31Å
336C79.9Confident78.9Confident4 Ų458.6 Ų58.63%0.02729%0.291CS..Hα-helixtrans-62.1-35.9177.4-171.30000112.4Y321 R332 I333 E340 I341Y321-C336 HydrophobicContact CE2-CB 4.39Å; R332-C336 VanDerWaalsContact O-CB 3.22Å; R332-C336 WeakPolarHBondContact O-CB 3.42Å; R332-C336 PolarHBondContact O-N 2.97Å; I333-C336 CarbonylContact O-C 3.55Å; I333-C336 WeakPolarHBondContact O-CB 3.39Å; I333-C336 PolarHBondContact O-N 3.31Å; C336-E340 WeakPolarHBondContact O-CA 3.44Å; C336-E340 WeakPolarHBondContact O-CB 3.37Å; C336-E340 PolarHBondContact O-N 3.44Å; C336-I341 PolarHBondContact O-N 2.82Å
337L81.8Confident79.5Confident1 Ų168.2 Ų68.21%0.00533%0.327CS..Iπ-helixtrans-60.9-49.6176.3-82.8166.3000110.7I313 L317 I333 A334 T335 I341 Y342 M362 L366I313-L337 HydrophobicContact CG2-CD2 3.71Å; L317-L337 HydrophobicContact CD1-CD2 4.17Å; L317-L337 HydrophobicContact CD2-CD2 4.41Å; L317-L337 HydrophobicContact CG-CD2 4.36Å; I333-L337 HydrophobicContact CG2-CD1 4.14Å; I333-L337 HydrophobicContact CG2-CG 4.32Å; I333-L337 WeakPolarHBondContact O-CB 3.5Å; I333-L337 VanDerWaalsContact O-CG 3.29Å; I333-L337 WeakPolarHBondContact O-CG 3.44Å; I333-L337 PolarHBondContact O-N 2.98Å; A334-L337 PolarHBondContact O-N 3.32Å; T335-L337 VanDerWaalsContact C-N 3.29Å; T335-L337 PolarHBondContact O-N 2.88Å; L337-I341 HydrophobicContact CD2-CB 4.26Å; L337-I341 HydrophobicContact CD2-CD1 3.87Å; L337-I341 HydrophobicContact CD2-CG2 4.26Å; L337-I341 HydrophobicContact CG-CD1 4.28Å; L337-Y342 HydrophobicContact CB-CE1 4.45Å; L337-Y342 HydrophobicContact CD2-CD1 4.41Å; L337-Y342 HydrophobicContact CD2-CE1 4.05Å; L337-Y342 WeakPolarHBondContact O-CB 3.43Å; L337-Y342 VanDerWaalsContact O-CD1 3.23Å; L337-Y342 WeakPolarHBondContact O-CD1 3.45Å; L337-Y342 PolarHBondContact O-N 3.15Å; L337-M362 HydrophobicContact CD1-CB 4.36Å; L337-M362 HydrophobicContact CD1-CG 3.52Å; L337-M362 HydrophobicContact CD2-CG 4.11Å; L337-M362 HydrophobicContact CG-CG 4.47Å; L337-L366 HydrophobicContact CD1-CD1 3.61Å
338S78.4Confident80.2Confident50 Ų5072.2 Ų72.235%0.3534%0.337SS..Iπ-helixtrans-70.9-39.8-179.350.90000113.8A334 T335A334-S338 PolarHBondContact O-N 3.37Å; A334-S338 PolarHBondContact O-OG 2.9Å; T335-S338 PolarHBondContact O-N 2.83Å; T335-S338 PolarHBondContact O-OG 3.34Å
339E82Confident80.6Confident134 Ų13469.2 Ų69.263%0.62632%0.316SS*.Iπ-helixtrans-91.1-29.3-170.4-67.1-176.6176.700113.4T335T335-E339 HydrophobicContact CG2-CG 4.24Å; T335-E339 WeakPolarHBondContact O-CB 3.43Å; T335-E339 WeakPolarHBondContact O-CG 3.4Å; T335-E339 PolarHBondContact O-N 3.31Å
340E83.7Confident80.9Confident94 Ų9475.7 Ų75.744%0.43934%0.342SS..Iπ-helixtrans-124-52.2-169.2-54.6-175.6-160.900112.9R320 C336 E344R320-E340 IonicContact CZ-OE2 3.72Å; R320-E340 VanDerWaalsContact NH1-CB 3.3Å; R320-E340 IonicContact NH1-OE2 2.64Å; R320-E340 PolarHBondContact NH1-OE2 3.19Å; R320-E340 IonicContact NH2-OE2 3.27Å; C336-E340 WeakPolarHBondContact O-CA 3.44Å; C336-E340 WeakPolarHBondContact O-CB 3.37Å; C336-E340 PolarHBondContact O-N 3.44Å; E340-E344 VanDerWaalsContact O-CB 3.27Å; E340-E344 WeakPolarHBondContact O-CB 3.45Å; E340-E344 PolarHBondContact O-N 2.83Å; E340-E344 VanDerWaalsContact O-N 3.07Å
341I84.4Confident81.3Confident0 Ų073.1 Ų73.10%033%0.332CS..Iπ-helixtrans-72.9-48.6-171.4-59.5174.9000111.2I313 E316 L317 C336 L337 E344 V345I313-I341 HydrophobicContact CG2-CG2 4.3Å; E316-I341 HydrophobicContact CB-CG2 3.98Å; L317-I341 HydrophobicContact CD2-CD1 3.33Å; L317-I341 HydrophobicContact CG-CD1 3.69Å; C336-I341 PolarHBondContact O-N 2.82Å; L337-I341 HydrophobicContact CD2-CB 4.26Å; L337-I341 HydrophobicContact CD2-CD1 3.87Å; L337-I341 HydrophobicContact CD2-CG2 4.26Å; L337-I341 HydrophobicContact CG-CD1 4.28Å; I341-E344 PolarHBondContact O-N 2.89Å; I341-V345 HydrophobicContact CG2-CG2 4.07Å; I341-V345 WeakPolarHBondContact O-CB 3.44Å; I341-V345 VanDerWaalsContact O-CG2 3.3Å; I341-V345 WeakPolarHBondContact O-CG2 3.45Å; I341-V345 PolarHBondContact O-N 2.72Å
342Y87.6Confident81.8Confident21 Ų2167.2 Ų67.28%0.08231%0.31CS..Hα-helixtrans-59.8-48.8179.7-82.732.8000111.4I313 L337 E344 V345 I346 L356 P357 I359I313-Y342 HydrophobicContact CD1-CE1 3.93Å; L337-Y342 HydrophobicContact CB-CE1 4.45Å; L337-Y342 HydrophobicContact CD2-CD1 4.41Å; L337-Y342 HydrophobicContact CD2-CE1 4.05Å; L337-Y342 WeakPolarHBondContact O-CB 3.43Å; L337-Y342 VanDerWaalsContact O-CD1 3.23Å; L337-Y342 WeakPolarHBondContact O-CD1 3.45Å; L337-Y342 PolarHBondContact O-N 3.15Å; Y342-E344 VanDerWaalsContact C-N 3.32Å; Y342-E344 PolarHBondContact O-N 3.41Å; Y342-V345 PolarHBondContact O-N 2.95Å; Y342-I346 WeakPolarHBondContact O-CB 3.4Å; Y342-I346 WeakPolarHBondContact O-CD1 3.36Å; Y342-I346 WeakPolarHBondContact O-CG1 3.39Å; Y342-I346 PolarHBondContact O-N 3.45Å; Y342-L356 HydrophobicContact CD2-CB 4.21Å; Y342-L356 HydrophobicContact CD2-CD1 3.53Å; Y342-L356 HydrophobicContact CD2-CG 4.47Å; Y342-L356 HydrophobicContact CE2-CB 3.98Å; Y342-L356 HydrophobicContact CE2-CD1 4.14Å; Y342-L356 HydrophobicContact CG-CD1 3.82Å; Y342-P357 WeakPolarHBondContact CE2-O 3.39Å; Y342-P357 PolarHBondContact OH-O 2.9Å; Y342-I359 HydrophobicContact CE2-CG1 3.93Å
343P86.5Confident81.8Confident51 Ų5163.8 Ų63.833%0.33131%0.309SS..Hα-helixtrans-60.4-36.4174.3-27.136.8000114.3R347P343-R347 VanDerWaalsContact O-CB 3.28Å; P343-R347 WeakPolarHBondContact O-CB 3.21Å; P343-R347 PolarHBondContact O-N 2.83Å
344E84.7Confident81.8Confident64 Ų6469.1 Ų69.130%0.29934%0.341SS..Hα-helixtrans-69.4-46.1177.2-177.4167.4-144.600111.9R320 E340 I341 Y342 I346 R347 R348R320-E344 IonicContact CZ-OE2 3.4Å; R320-E344 IonicContact NE-OE2 3.42Å; R320-E344 PolarHBondContact NE-OE2 2.67Å; R320-E344 IonicContact NH2-OE2 3.98Å; R320-E344 PolarHBondContact NH2-OE2 3.41Å; E340-E344 VanDerWaalsContact O-CB 3.27Å; E340-E344 WeakPolarHBondContact O-CB 3.45Å; E340-E344 PolarHBondContact O-N 2.83Å; E340-E344 VanDerWaalsContact O-N 3.07Å; I341-E344 PolarHBondContact O-N 2.89Å; Y342-E344 VanDerWaalsContact C-N 3.32Å; Y342-E344 PolarHBondContact O-N 3.41Å; E344-I346 VanDerWaalsContact C-N 3.33Å; E344-I346 PolarHBondContact O-N 2.96Å; E344-R347 PolarHBondContact O-N 3.38Å; E344-R347 VanDerWaalsContact O-N 3.14Å; E344-R348 WeakPolarHBondContact O-CB 3.15Å; E344-R348 PolarHBondContact O-N 2.88Å
345V84.8Confident81.9Confident0 Ų072.3 Ų72.30%036%0.356CS..Hα-helixtrans-60.3-44.2175.9170.70000110.5I313 E316 I341 Y342 R347 R348 Y349 L351 L356I313-V345 HydrophobicContact CG1-CG2 4.41Å; E316-V345 HydrophobicContact CG-CG2 3.95Å; I341-V345 HydrophobicContact CG2-CG2 4.07Å; I341-V345 WeakPolarHBondContact O-CB 3.44Å; I341-V345 VanDerWaalsContact O-CG2 3.3Å; I341-V345 WeakPolarHBondContact O-CG2 3.45Å; I341-V345 PolarHBondContact O-N 2.72Å; Y342-V345 PolarHBondContact O-N 2.95Å; V345-R347 VanDerWaalsContact C-N 3.34Å; V345-R347 PolarHBondContact O-N 3.09Å; V345-R348 PolarHBondContact O-N 2.9Å; V345-Y349 HydrophobicContact CG1-CD2 4.14Å; V345-Y349 WeakPolarHBondContact O-CB 3.47Å; V345-Y349 PolarHBondContact O-N 3.29Å; V345-L351 HydrophobicContact CG1-CD1 3.97Å; V345-L356 HydrophobicContact CG1-CD2 4.29Å
346I86.6Confident82.1Confident49 Ų4969.8 Ų69.825%0.25134%0.34SS..Hα-helixtrans-57.3-47.7173.3-73.3164.4000110.7Y342 E344 K350 L351 P353 L356Y342-I346 WeakPolarHBondContact O-CB 3.4Å; Y342-I346 WeakPolarHBondContact O-CD1 3.36Å; Y342-I346 WeakPolarHBondContact O-CG1 3.39Å; Y342-I346 PolarHBondContact O-N 3.45Å; E344-I346 VanDerWaalsContact C-N 3.33Å; E344-I346 PolarHBondContact O-N 2.96Å; I346-K350 WeakPolarHBondContact O-CA 3.43Å; I346-K350 PolarHBondContact O-N 3.41Å; I346-L351 WeakPolarHBondContact CG2-O 3.34Å; I346-L351 PolarHBondContact O-N 2.96Å; I346-P353 HydrophobicContact CD1-CB 3.93Å; I346-L356 HydrophobicContact CD1-CD1 3.64Å; I346-L356 HydrophobicContact CG1-CD1 3.75Å
347R86.5Confident82Confident202 Ų20269.9 Ų69.976%0.76234%0.341SS*.Hα-helixtrans-68.3-43.6-177.4-172.5-173-61.7158.82.2112.1P343 E344 V345P343-R347 VanDerWaalsContact O-CB 3.28Å; P343-R347 WeakPolarHBondContact O-CB 3.21Å; P343-R347 PolarHBondContact O-N 2.83Å; E344-R347 PolarHBondContact O-N 3.38Å; E344-R347 VanDerWaalsContact O-N 3.14Å; V345-R347 VanDerWaalsContact C-N 3.34Å; V345-R347 PolarHBondContact O-N 3.09Å
348R84.8Confident81.9Confident154 Ų15473.7 Ų73.758%0.58137%0.366SS*.Hα-helixtrans-74.1-43.3-174.1-172.5173-177.6171.82.3111.7E316 E344 V345E316-R348 IonicContact OE1-CZ 2.63Å; E316-R348 IonicContact OE1-NE 3.69Å; E316-R348 IonicContact OE1-NH1 3.99Å; E316-R348 PolarHBondContact OE1-NH1 2.88Å; E316-R348 IonicContact OE2-NH1 3.65Å; E344-R348 WeakPolarHBondContact O-CB 3.15Å; E344-R348 PolarHBondContact O-N 2.88Å; V345-R348 PolarHBondContact O-N 2.9Å
349Y81.9Confident81.9Confident78 Ų7874.1 Ų74.131%0.30636%0.363SS..Hα-helixtrans-103.21.9-176-62.3-84.1000113.9L312 V345 L351L312-Y349 HydrophobicContact CB-CE2 4.48Å; L312-Y349 HydrophobicContact CD1-CD1 3.8Å; L312-Y349 HydrophobicContact CD1-CD2 3.97Å; L312-Y349 HydrophobicContact CD1-CE1 3.97Å; L312-Y349 HydrophobicContact CD1-CE2 4.14Å; L312-Y349 HydrophobicContact CD1-CG 3.8Å; L312-Y349 HydrophobicContact CD2-CD1 4.33Å; L312-Y349 HydrophobicContact CD2-CE1 3.63Å; L312-Y349 HydrophobicContact CD2-CE2 3.99Å; L312-Y349 VanDerWaalsContact CD2-CZ 3.44Å; L312-Y349 WeakPolarHBondContact CD2-OH 3.36Å; L312-Y349 HydrophobicContact CG-CE1 4.42Å; L312-Y349 HydrophobicContact CG-CE2 4.42Å; V345-Y349 HydrophobicContact CG1-CD2 4.14Å; V345-Y349 WeakPolarHBondContact O-CB 3.47Å; V345-Y349 PolarHBondContact O-N 3.29Å; Y349-L351 PolarHBondContact O-N 3.22Å
350K81.6Confident81.7Confident193 Ų19371.6 Ų71.684%0.83936%0.359SS*.  trans54.537.7179.1-57.1179.7-178.6176.60113.3I346I346-K350 WeakPolarHBondContact O-CA 3.43Å; I346-K350 PolarHBondContact O-N 3.41Å
351L79.7Confident81.1Confident27 Ų2767.7 Ų67.714%0.14134%0.342CS..  trans-82.6152.7180-62.6176.4000111.3M309 V345 I346 Y349M309-L351 HydrophobicContact CG-CD1 4.38Å; V345-L351 HydrophobicContact CG1-CD1 3.97Å; I346-L351 WeakPolarHBondContact CG2-O 3.34Å; I346-L351 PolarHBondContact O-N 2.96Å; Y349-L351 PolarHBondContact O-N 3.22Å
352S81.1Confident80.7Confident47 Ų4767.7 Ų67.733%0.32934%0.343SS..  trans-73.3142.5168.4-177.40000109.8T354 D355S352-T354 WeakPolarHBondContact CB-OG1 3.39Å; S352-T354 PolarHBondContact O-N 2.96Å; S352-T354 PolarHBondContact OG-N 3.45Å; S352-T354 PolarHBondContact OG-OG1 3.41Å; S352-D355 WeakPolarHBondContact CB-OD2 3.35Å; S352-D355 PolarHBondContact O-N 3.13Å; S352-D355 VanDerWaalsContact O-N 3.16Å
353P75.3Confident80Confident89 Ų8970.8 Ų70.858%0.57836%0.358SS*.THydrogen-bonded Turntrans-61.5-23.3173.226-35.4000113.2I346 D355I346-P353 HydrophobicContact CD1-CB 3.93Å; P353-D355 VanDerWaalsContact C-N 3.27Å; P353-D355 PolarHBondContact O-N 3.07Å
354T76.3Confident79.2Confident113 Ų11374.4 Ų74.469%0.69337%0.37SS*.THydrogen-bonded Turntrans-69.6-24.8177.452.10000113.4S352 L356S352-T354 WeakPolarHBondContact CB-OG1 3.39Å; S352-T354 PolarHBondContact O-N 2.96Å; S352-T354 PolarHBondContact OG-N 3.45Å; S352-T354 PolarHBondContact OG-OG1 3.41Å; T354-L356 VanDerWaalsContact C-N 3.32Å
355D76Confident78.3Confident80 Ų8072.5 Ų72.543%0.42836%0.362SS..THydrogen-bonded Turntrans-85.1-17.7-173.2-53.8-15.4000110.6M309 S352 P353M309-D355 WeakPolarHBondContact CE-O 3.25Å; M309-D355 HydrophobicContact SD-CB 4.07Å; S352-D355 WeakPolarHBondContact CB-OD2 3.35Å; S352-D355 PolarHBondContact O-N 3.13Å; S352-D355 VanDerWaalsContact O-N 3.16Å; P353-D355 VanDerWaalsContact C-N 3.27Å; P353-D355 PolarHBondContact O-N 3.07Å
356L80.7Confident77.4Confident14 Ų1472.7 Ų72.77%0.07336%0.363CS..SBendtrans-69.5143-178.4-68.5174.2000111.6I313 Y342 V345 I346 T354I313-L356 HydrophobicContact CD1-CD2 4.39Å; Y342-L356 HydrophobicContact CD2-CB 4.21Å; Y342-L356 HydrophobicContact CD2-CD1 3.53Å; Y342-L356 HydrophobicContact CD2-CG 4.47Å; Y342-L356 HydrophobicContact CE2-CB 3.98Å; Y342-L356 HydrophobicContact CE2-CD1 4.14Å; Y342-L356 HydrophobicContact CG-CD1 3.82Å; V345-L356 HydrophobicContact CG1-CD2 4.29Å; I346-L356 HydrophobicContact CD1-CD1 3.64Å; I346-L356 HydrophobicContact CG1-CD1 3.75Å; T354-L356 VanDerWaalsContact C-N 3.32Å
357P78Confident76.4Confident7 Ų773.4 Ų73.45%0.04537%0.372CS..PPolyproline II helixtrans-54.6137.2172.8-23.432.2000111.2F310 I313 Y342 I359 M362F310-P357 HydrophobicContact CD1-CG 4.31Å; F310-P357 HydrophobicContact CD2-CG 4.4Å; F310-P357 HydrophobicContact CE1-CB 3.96Å; F310-P357 HydrophobicContact CE1-CG 3.83Å; F310-P357 HydrophobicContact CE2-CB 4.4Å; F310-P357 HydrophobicContact CE2-CG 3.9Å; F310-P357 HydrophobicContact CZ-CB 3.68Å; F310-P357 HydrophobicContact CZ-CG 3.59Å; I313-P357 HydrophobicContact CD1-CG 4.35Å; Y342-P357 WeakPolarHBondContact CE2-O 3.39Å; Y342-P357 PolarHBondContact OH-O 2.9Å; P357-I359 PolarHBondContact O-N 3.43Å; P357-M362 HydrophobicContact CB-CE 4.23Å; P357-M362 HydrophobicContact CG-CE 4.19Å
358P79.9Confident75Confident81 Ų8166.1 Ų66.153%0.52636%0.36SS..PPolyproline II helixtrans-54136.6173.8-2634.1000111.2P360 A361 M362P358-P360 VanDerWaalsContact C-N 3.28Å; P358-A361 WeakPolarHBondContact O-CA 3.3Å; P358-A361 VanDerWaalsContact O-CB 3.28Å; P358-A361 WeakPolarHBondContact O-CB 3.37Å; P358-A361 PolarHBondContact O-N 2.95Å; P358-M362 PolarHBondContact O-N 2.75Å
359I78.3Confident73.5Confident58 Ų5860 Ų6030%0.29735%0.345SS..Hα-helixtrans-51.3-41.4-179.8-63.4160.8000112.6Y342 P357 A361 M362 Q363Y342-I359 HydrophobicContact CE2-CG1 3.93Å; P357-I359 PolarHBondContact O-N 3.43Å; I359-A361 VanDerWaalsContact C-N 3.26Å; I359-A361 PolarHBondContact O-N 3.31Å; I359-M362 PolarHBondContact O-N 2.93Å; I359-M362 VanDerWaalsContact O-N 3.13Å; I359-Q363 HydrophobicContact CG2-CG 4.17Å; I359-Q363 WeakPolarHBondContact O-CG 3.29Å; I359-Q363 PolarHBondContact O-N 3.34Å
360P76.8Confident72Confident81 Ų8165 Ų6553%0.52637%0.371SS..Hα-helixtrans-58.6-35.9176.6-25.836000113.6P358 Q363 Q364P358-P360 VanDerWaalsContact C-N 3.28Å; P360-Q363 PolarHBondContact O-N 3.44Å; P360-Q364 WeakPolarHBondContact O-CG 3.48Å; P360-Q364 PolarHBondContact O-N 3.02Å
361A72.7Confident70.7Confident12 Ų1261.6 Ų61.610%0.09936%0.362CS..Hα-helixtrans-66.7-42.9176.100000111.4F48 P358 I359 Q363 Q364 L365F48-A361 HydrophobicContact CD2-CB 3.51Å; F48-A361 HydrophobicContact CE2-CB 3.3Å; F48-A361 HydrophobicContact CZ-CB 4.22Å; P358-A361 WeakPolarHBondContact O-CA 3.3Å; P358-A361 VanDerWaalsContact O-CB 3.28Å; P358-A361 WeakPolarHBondContact O-CB 3.37Å; P358-A361 PolarHBondContact O-N 2.95Å; I359-A361 VanDerWaalsContact C-N 3.26Å; I359-A361 PolarHBondContact O-N 3.31Å; A361-Q363 VanDerWaalsContact C-N 3.32Å; A361-Q363 PolarHBondContact O-N 3.49Å; A361-Q364 PolarHBondContact O-N 3.26Å; A361-L365 PolarHBondContact O-N 3Å; A361-L365 VanDerWaalsContact O-N 3.11Å
362M74.2Confident69.7Low1 Ų160.5 Ų60.51%0.00536%0.357CS..Hα-helixtrans-63.8-37.9175.8-166.961.962.500112.1F310 I313 L337 P357 P358 I359 L365 L366F310-M362 HydrophobicContact CD1-CE 3.53Å; F310-M362 HydrophobicContact CD1-SD 4.25Å; F310-M362 HydrophobicContact CE1-CE 3.49Å; F310-M362 VanDerWaalsContact CE1-CE 3.49Å; F310-M362 HydrophobicContact CE1-SD 4.26Å; I313-M362 HydrophobicContact CB-CE 4.26Å; I313-M362 HydrophobicContact CD1-CE 3.58Å; I313-M362 HydrophobicContact CG2-CE 3.82Å; I313-M362 HydrophobicContact CG2-SD 4.05Å; L337-M362 HydrophobicContact CD1-CB 4.36Å; L337-M362 HydrophobicContact CD1-CG 3.52Å; L337-M362 HydrophobicContact CD2-CG 4.11Å; L337-M362 HydrophobicContact CG-CG 4.47Å; P357-M362 HydrophobicContact CB-CE 4.23Å; P357-M362 HydrophobicContact CG-CE 4.19Å; P358-M362 PolarHBondContact O-N 2.75Å; I359-M362 PolarHBondContact O-N 2.93Å; I359-M362 VanDerWaalsContact O-N 3.13Å; M362-L365 PolarHBondContact O-N 3.32Å; M362-L366 PolarHBondContact O-N 2.71Å; M362-L366 VanDerWaalsContact O-N 3.1Å
363Q72.8Confident69Low86 Ų8661.1 Ų61.140%0.40236%0.359SS..Hα-helixtrans-64.9-39.2175.4-71.3173.3-8.700112.5A334 I359 P360 A361 L365 S367A334-Q363 HydrophobicContact CB-CG 4.08Å; I359-Q363 HydrophobicContact CG2-CG 4.17Å; I359-Q363 WeakPolarHBondContact O-CG 3.29Å; I359-Q363 PolarHBondContact O-N 3.34Å; P360-Q363 PolarHBondContact O-N 3.44Å; A361-Q363 VanDerWaalsContact C-N 3.32Å; A361-Q363 PolarHBondContact O-N 3.49Å; Q363-L365 VanDerWaalsContact C-N 3.32Å; Q363-S367 WeakPolarHBondContact O-CB 3.18Å; Q363-S367 PolarHBondContact O-N 2.85Å; Q363-S367 VanDerWaalsContact O-N 3.16Å; Q363-S367 PolarHBondContact O-OG 3.44Å
364Q69.9Low68.9Low127 Ų12757 Ų5759%0.59333%0.332SS*.Hα-helixtrans-62.8-40.5174-76.5-178.9-10.200111.4P360 A361 S367 G368P360-Q364 WeakPolarHBondContact O-CG 3.48Å; P360-Q364 PolarHBondContact O-N 3.02Å; A361-Q364 PolarHBondContact O-N 3.26Å; Q364-S367 VanDerWaalsContact CA-OG 3.32Å; Q364-S367 WeakPolarHBondContact CA-OG 3.37Å; Q364-S367 CarbonylContact O-C 3.57Å; Q364-S367 PolarHBondContact O-N 3.48Å; Q364-S367 VanDerWaalsContact O-N 3.09Å; Q364-S367 PolarHBondContact O-OG 2.68Å; Q364-G368 PolarHBondContact O-N 2.75Å
365L65.7Low69Low23 Ų2353.9 Ų53.912%0.1231%0.314CS..Hα-helixtrans-64.1-46.6178.3-168.8151.5000112.1F310 A361 M362 Q363 S367 G368 G369 L374F310-L365 HydrophobicContact CD1-CD1 4.24Å; F310-L365 HydrophobicContact CE1-CD1 4.26Å; A361-L365 PolarHBondContact O-N 3Å; A361-L365 VanDerWaalsContact O-N 3.11Å; M362-L365 PolarHBondContact O-N 3.32Å; Q363-L365 VanDerWaalsContact C-N 3.32Å; L365-S367 PolarHBondContact O-N 3.23Å; L365-S367 VanDerWaalsContact O-N 3.14Å; L365-G368 PolarHBondContact O-N 3.02Å; L365-G369 PolarHBondContact O-N 2.99Å; L365-L374 HydrophobicContact CD1-CD2 4.43Å; L365-L374 HydrophobicContact CD2-CD1 3.88Å; L365-L374 HydrophobicContact CD2-CD2 3.16Å; L365-L374 HydrophobicContact CD2-CG 3.31Å; L365-L374 HydrophobicContact CG-CD2 4.41Å
366L67.9Low69.3Low5 Ų557 Ų573%0.02633%0.326CS..Hα-helixtrans-63-17.2174.4-71.4173.7000113.5L317 I333 L337 M362 L374L317-L366 HydrophobicContact CD1-CD2 4.29Å; I333-L366 HydrophobicContact CB-CD1 4.46Å; I333-L366 HydrophobicContact CG2-CD1 3.48Å; I333-L366 VanDerWaalsContact CG2-CD1 3.48Å; L337-L366 HydrophobicContact CD1-CD1 3.61Å; M362-L366 PolarHBondContact O-N 2.71Å; M362-L366 VanDerWaalsContact O-N 3.1Å; L366-L374 HydrophobicContact CD2-CD1 3.78Å; L366-L374 HydrophobicContact CD2-CG 4.34Å
367S64.2Low69.6Low63 Ų6356.6 Ų56.644%0.44132%0.324SS..Hα-helixtrans-105.7-24.8-179.356.20000114.8Q363 Q364 L365Q363-S367 WeakPolarHBondContact O-CB 3.18Å; Q363-S367 PolarHBondContact O-N 2.85Å; Q363-S367 VanDerWaalsContact O-N 3.16Å; Q363-S367 PolarHBondContact O-OG 3.44Å; Q364-S367 VanDerWaalsContact CA-OG 3.32Å; Q364-S367 WeakPolarHBondContact CA-OG 3.37Å; Q364-S367 CarbonylContact O-C 3.57Å; Q364-S367 PolarHBondContact O-N 3.48Å; Q364-S367 VanDerWaalsContact O-N 3.09Å; Q364-S367 PolarHBondContact O-OG 2.68Å; L365-S367 PolarHBondContact O-N 3.23Å; L365-S367 VanDerWaalsContact O-N 3.14Å
368G57Low70.1Confident50 Ų5062.1 Ų62.152%0.51535%0.349SS..Hα-helixtrans-114.5-7-16800000116.8Q364 L365Q364-G368 PolarHBondContact O-N 2.75Å; L365-G368 PolarHBondContact O-N 3.02Å
369G53Low70.6Confident25 Ų2566.5 Ų66.526%0.25836%0.362SS..SBendtrans-60.4159.9171.500000112.3L365 D371 G372L365-G369 PolarHBondContact O-N 2.99Å; G369-D371 PolarHBondContact O-N 2.92Å; G369-G372 PolarHBondContact O-N 3.41Å
370Q51.2Low71.2Confident183 Ų18365.7 Ų65.786%0.85536%0.362SS*.THydrogen-bonded Turntrans-49.6-28.5-175.9-67.6-170.43.600114.1
371D53.8Low71.9Confident122 Ų12262.4 Ų62.465%0.65234%0.341SS*.THydrogen-bonded Turntrans-132.419.1170.9-68.7-50000112.8N327 G369 T373N327-D371 PolarHBondContact ND2-O 3.35Å; G369-D371 PolarHBondContact O-N 2.92Å; D371-T373 PolarHBondContact O-N 3.26Å; D371-T373 PolarHBondContact O-OG1 3.27Å; D371-T373 VanDerWaalsContact O-OG1 3.06Å
372G58.7Low72.8Confident4 Ų462.4 Ų62.44%0.04134%0.34CS..SBendtrans57.916.1-174.300000114.7G369G369-G372 PolarHBondContact O-N 3.41Å
373T66.2Low73.7Confident59 Ų5966.7 Ų66.736%0.36236%0.36SS..  trans-111121.4-175-52.90000109.3P323 F326 D371P323-T373 HydrophobicContact CB-CG2 3.63Å; F326-T373 HydrophobicContact CD2-CG2 3.84Å; F326-T373 HydrophobicContact CE2-CG2 4.17Å; D371-T373 PolarHBondContact O-N 3.26Å; D371-T373 PolarHBondContact O-OG1 3.27Å; D371-T373 VanDerWaalsContact O-OG1 3.06Å
374L72.8Confident74.8Confident3 Ų364.7 Ų64.72%0.01635%0.352CS..PPolyproline II helixtrans-68133.1167.6-92.4167000109.4L43 L317 H318 F326 L365 L366L43-L374 HydrophobicContact CD2-CD2 4.05Å; L317-L374 HydrophobicContact CD1-CD1 3.52Å; H318-L374 PolarHBondContact CE1-O 2.98Å; H318-L374 PolarHBondContact NE2-O 3.23Å; F326-L374 HydrophobicContact CE2-CB 4.35Å; L365-L374 HydrophobicContact CD1-CD2 4.43Å; L365-L374 HydrophobicContact CD2-CD1 3.88Å; L365-L374 HydrophobicContact CD2-CD2 3.16Å; L365-L374 HydrophobicContact CD2-CG 3.31Å; L365-L374 HydrophobicContact CG-CD2 4.41Å; L366-L374 HydrophobicContact CD2-CD1 3.78Å; L366-L374 HydrophobicContact CD2-CG 4.34Å
375P79.1Confident76Confident47 Ų4758.6 Ų58.631%0.30532%0.324SS..PPolyproline II helixtrans-76.2144.6172.828.6-29.9000111.3L42 S314 H318L42-P375 VanDerWaalsContact O-CG 3.23Å; L42-P375 WeakPolarHBondContact O-CG 3.41Å; S314-P375 PolarHBondContact OG-O 3.28Å; H318-P375 VanDerWaalsContact NE2-C 3.34Å
376E82.7Confident77.3Confident147 Ų14759.8 Ų59.869%0.68733%0.329SS*.PPolyproline II helixtrans-70.3134168.6-171.7178.6-176.900108.6H318H318-E376 HydrophobicContact CB-CB 4.45Å; H318-E376 HydrophobicContact CB-CG 4.25Å; H318-E376 PolarHBondContact NE2-N 2.87Å; H318-E376 VanDerWaalsContact NE2-N 3.15Å
377I86.3Confident78.6Confident5 Ų561.8 Ų61.83%0.02634%0.339CS..  trans-108.7124.7-173.3-54.4-156.8000109.2T39 L43 A311 N315 A381 V382T39-I377 HydrophobicContact CG2-CD1 4.03Å; T39-I377 HydrophobicContact CG2-CG2 4.44Å; L43-I377 HydrophobicContact CD1-CD1 3.88Å; L43-I377 HydrophobicContact CD2-CD1 3.52Å; L43-I377 HydrophobicContact CG-CD1 3.53Å; A311-I377 HydrophobicContact CB-CB 4.32Å; A311-I377 HydrophobicContact CB-CD1 3.67Å; A311-I377 HydrophobicContact CB-CG1 4.4Å; A311-I377 HydrophobicContact CB-CG2 4.19Å; N315-I377 PolarHBondContact ND2-O 3.49Å; N315-I377 PolarHBondContact OD1-N 3.4Å; N315-I377 PolarHBondContact OD1-O 3.46Å; I377-A381 HydrophobicContact CG2-CB 3.88Å; I377-V382 HydrophobicContact CG2-CG2 4.18Å
378E89.9Confident80.1Confident122 Ų12258.8 Ų58.857%0.5732%0.318SS*.  trans-57139.9177.2-62.4-178.2-178.700111.2S380 A381 V382E378-S380 PolarHBondContact O-N 2.88Å; E378-S380 VanDerWaalsContact O-N 3.08Å; E378-S380 PolarHBondContact OE2-OG 3.32Å; E378-A381 PolarHBondContact O-N 3.33Å; E378-V382 PolarHBondContact O-N 3.23Å
379E89.4Confident81.9Confident173 Ų17357.3 Ų57.381%0.80830%0.298SS*.Hα-helixtrans-55.1-30.1176.1-66.1-176.1165.800112.1A381 V382 Q383E379-A381 PolarHBondContact O-N 2.59Å; E379-V382 PolarHBondContact O-N 2.97Å; E379-Q383 PolarHBondContact O-N 3.39Å
380S90.9Very high83.8Confident42 Ų4261.2 Ų61.229%0.29431%0.313SS..Hα-helixtrans-63.8-38.2176.5730000113.2R11 E378 Q383 D384R11-S380 PolarHBondContact NH2-OG 3.29Å; E378-S380 PolarHBondContact O-N 2.88Å; E378-S380 VanDerWaalsContact O-N 3.08Å; E378-S380 PolarHBondContact OE2-OG 3.32Å; S380-Q383 PolarHBondContact O-N 3.43Å; S380-D384 PolarHBondContact O-N 2.91Å
381A91.7Very high85.9Confident11 Ų1155.7 Ų55.79%0.09129%0.289CS..Hα-helixtrans-72.9-31.5177.700000111.9I377 E378 E379 L385I377-A381 HydrophobicContact CG2-CB 3.88Å; E378-A381 PolarHBondContact O-N 3.33Å; E379-A381 PolarHBondContact O-N 2.59Å; A381-L385 WeakPolarHBondContact O-CG 2.89Å; A381-L385 PolarHBondContact O-N 3.4Å
382V91.6Very high87.8Confident12 Ų1250.1 Ų50.17%0.07326%0.259CS..Hα-helixtrans-67-43170.8-179.30000110.2A311 L312 I377 E378 E379 D384 L385 E386A311-V382 HydrophobicContact CB-CG2 4.11Å; L312-V382 HydrophobicContact CD2-CG1 3.91Å; I377-V382 HydrophobicContact CG2-CG2 4.18Å; E378-V382 PolarHBondContact O-N 3.23Å; E379-V382 PolarHBondContact O-N 2.97Å; V382-D384 VanDerWaalsContact C-N 3.35Å; V382-D384 PolarHBondContact O-N 3.33Å; V382-L385 WeakPolarHBondContact O-CB 3.47Å; V382-L385 PolarHBondContact O-N 3.25Å; V382-E386 PolarHBondContact O-N 3.15Å
383Q93.4Very high89.5Confident91 Ų9150.8 Ų50.843%0.42526%0.263SS..Hα-helixtrans-61.9-40.7175.9-170.162.756.900112E379 S380 L385 E386 D387E379-Q383 PolarHBondContact O-N 3.39Å; S380-Q383 PolarHBondContact O-N 3.43Å; Q383-L385 VanDerWaalsContact C-N 3.29Å; Q383-L385 PolarHBondContact O-N 3.13Å; Q383-E386 PolarHBondContact O-N 3.09Å; Q383-E386 VanDerWaalsContact O-N 3.16Å; Q383-D387 PolarHBondContact NE2-OD1 3.07Å; Q383-D387 WeakPolarHBondContact O-CB 3.41Å; Q383-D387 VanDerWaalsContact O-CG 3.29Å; Q383-D387 PolarHBondContact O-N 2.91Å
384D94.9Very high90.8Very high44 Ų4450.6 Ų50.624%0.23526%0.263CS..Hα-helixtrans-58.5-41.1176.1-74.6-34000112R11 K35 S380 V382 F388R11-D384 IonicContact NH2-OD2 2.73Å; K35-D384 HydrophobicContact CB-CB 4.26Å; K35-D384 HydrophobicContact CG-CB 4.33Å; S380-D384 PolarHBondContact O-N 2.91Å; V382-D384 VanDerWaalsContact C-N 3.35Å; V382-D384 PolarHBondContact O-N 3.33Å; D384-F388 WeakPolarHBondContact O-CB 3.3Å; D384-F388 PolarHBondContact O-N 2.67Å
385L94.9Very high91.8Very high0 Ų056.7 Ų56.70%029%0.285CS..Hα-helixtrans-68-40.5175.4-69.8171.1000112.1V36 T39 A304 A307 R308 A381 V382 Q383 F388 L389V36-L385 HydrophobicContact CB-CD2 4.31Å; V36-L385 HydrophobicContact CG1-CD2 4.28Å; V36-L385 HydrophobicContact CG2-CD2 4.16Å; T39-L385 HydrophobicContact CG2-CD1 3.7Å; A304-L385 HydrophobicContact CB-CD2 4.18Å; A307-L385 HydrophobicContact CB-CD1 4.14Å; A307-L385 HydrophobicContact CB-CD2 4.3Å; R308-L385 HydrophobicContact CB-CB 4.23Å; R308-L385 HydrophobicContact CB-CD1 4Å; A381-L385 WeakPolarHBondContact O-CG 2.89Å; A381-L385 PolarHBondContact O-N 3.4Å; V382-L385 WeakPolarHBondContact O-CB 3.47Å; V382-L385 PolarHBondContact O-N 3.25Å; Q383-L385 VanDerWaalsContact C-N 3.29Å; Q383-L385 PolarHBondContact O-N 3.13Å; L385-F388 PolarHBondContact O-N 3.29Å; L385-L389 VanDerWaalsContact O-CG 3.26Å; L385-L389 WeakPolarHBondContact O-CG 3.45Å; L385-L389 PolarHBondContact O-N 3.46Å
386E93.6Very high92.4Very high48 Ų4854.4 Ų54.422%0.22427%0.271CS..Hα-helixtrans-65.2-42.1175.3-72.9-173.1176.400112.3V382 Q383 F388 L389 N390V382-E386 PolarHBondContact O-N 3.15Å; Q383-E386 PolarHBondContact O-N 3.09Å; Q383-E386 VanDerWaalsContact O-N 3.16Å; E386-F388 VanDerWaalsContact C-N 3.31Å; E386-F388 PolarHBondContact O-N 3.42Å; E386-L389 PolarHBondContact O-N 2.59Å; E386-N390 VanDerWaalsContact O-CB 3.25Å; E386-N390 WeakPolarHBondContact O-CB 3.4Å; E386-N390 PolarHBondContact O-N 3.02Å; E386-N390 PolarHBondContact O-ND2 3.11Å
387D95.1Very high92.8Very high46 Ų4652.1 Ų52.125%0.24626%0.262CS..Hα-helixtrans-63-41.7175.5-73.7-1.1000110.5Q383 L389 I391 D392Q383-D387 PolarHBondContact NE2-OD1 3.07Å; Q383-D387 WeakPolarHBondContact O-CB 3.41Å; Q383-D387 VanDerWaalsContact O-CG 3.29Å; Q383-D387 PolarHBondContact O-N 2.91Å; D387-L389 PolarHBondContact O-N 2.85Å; D387-I391 HydrophobicContact CB-CD1 4.32Å; D387-I391 WeakPolarHBondContact O-CA 3.37Å; D387-I391 VanDerWaalsContact O-CB 3.23Å; D387-I391 WeakPolarHBondContact O-CB 3.12Å; D387-I391 PolarHBondContact O-N 3.05Å; D387-D392 PolarHBondContact O-N 2.71Å; D387-D392 VanDerWaalsContact O-N 3.09Å
388F95.8Very high93Very high0 Ų058.7 Ų58.70%030%0.298CS..Iπ-helixtrans-58.3-49.8174.5-178.4-99.9000111.4L28 K35 V36 V300 A304 D384 L385 E386 D392 V393 F396L28-F388 HydrophobicContact CD1-CE2 4.5Å; L28-F388 HydrophobicContact CD1-CZ 4.3Å; K35-F388 HydrophobicContact CB-CB 4.29Å; K35-F388 HydrophobicContact CD-CB 4.07Å; V36-F388 HydrophobicContact CG2-CD1 3.95Å; V36-F388 HydrophobicContact CG2-CD2 4.42Å; V36-F388 HydrophobicContact CG2-CE1 4.22Å; V36-F388 HydrophobicContact CG2-CG 4.06Å; V300-F388 HydrophobicContact CB-CZ 4.4Å; V300-F388 HydrophobicContact CG1-CE1 3.82Å; V300-F388 HydrophobicContact CG1-CE2 4.35Å; V300-F388 HydrophobicContact CG1-CZ 3.45Å; V300-F388 VanDerWaalsContact CG1-CZ 3.45Å; A304-F388 HydrophobicContact CB-CD1 3.61Å; A304-F388 HydrophobicContact CB-CE1 3.91Å; D384-F388 WeakPolarHBondContact O-CB 3.3Å; D384-F388 PolarHBondContact O-N 2.67Å; L385-F388 PolarHBondContact O-N 3.29Å; E386-F388 VanDerWaalsContact C-N 3.31Å; E386-F388 PolarHBondContact O-N 3.42Å; F388-D392 WeakPolarHBondContact CA-OD2 3.26Å; F388-D392 HydrophobicContact CD2-CB 3.96Å; F388-D392 HydrophobicContact CE2-CB 4.42Å; F388-D392 WeakPolarHBondContact O-CB 3.25Å; F388-D392 PolarHBondContact O-N 3.49Å; F388-V393 HydrophobicContact CD1-CG2 4.13Å; F388-V393 HydrophobicContact CE1-CG2 3.73Å; F388-V393 HydrophobicContact CZ-CG2 4.07Å; F388-V393 WeakPolarHBondContact O-CG2 3.27Å; F388-V393 PolarHBondContact O-N 3.09Å; F388-F396 HydrophobicContact CE2-CE2 4.35Å
389L94.2Very high93Very high19 Ų1954.1 Ų54.110%0.09928%0.278CS..Iπ-helixtrans-71.1-41.9-176.3-67.6172.6000113.7T301 A304 I305 R308 L385 E386 D387T301-L389 HydrophobicContact CG2-CD2 3.84Å; A304-L389 HydrophobicContact CB-CD2 3.85Å; A304-L389 HydrophobicContact CB-CG 4.21Å; I305-L389 HydrophobicContact CD1-CD2 4.44Å; I305-L389 HydrophobicContact CG1-CD1 3.97Å; I305-L389 HydrophobicContact CG1-CD2 3.72Å; R308-L389 VanDerWaalsContact CZ-CD1 3.47Å; L385-L389 VanDerWaalsContact O-CG 3.26Å; L385-L389 WeakPolarHBondContact O-CG 3.45Å; L385-L389 PolarHBondContact O-N 3.46Å; E386-L389 PolarHBondContact O-N 2.59Å; D387-L389 PolarHBondContact O-N 2.85Å
390N94.2Very high92.8Very high107 Ų10747.7 Ų47.757%0.57225%0.249SC*.Iπ-helixtrans-92.2-23.7-171.5-64.1-34.7000113.2E386E386-N390 VanDerWaalsContact O-CB 3.25Å; E386-N390 WeakPolarHBondContact O-CB 3.4Å; E386-N390 PolarHBondContact O-N 3.02Å; E386-N390 PolarHBondContact O-ND2 3.11Å
391I94.1Very high92.1Very high68 Ų6846.4 Ų46.435%0.34924%0.24SC..Iπ-helixtrans-115.8-53.3-176.1-59.2163.4000110.7D387 R395D387-I391 HydrophobicContact CB-CD1 4.32Å; D387-I391 WeakPolarHBondContact O-CA 3.37Å; D387-I391 VanDerWaalsContact O-CB 3.23Å; D387-I391 WeakPolarHBondContact O-CB 3.12Å; D387-I391 PolarHBondContact O-N 3.05Å; I391-R395 VanDerWaalsContact CG2-CZ 3.41Å; I391-R395 VanDerWaalsContact O-CG 3.26Å; I391-R395 WeakPolarHBondContact O-CG 3.41Å; I391-R395 PolarHBondContact O-N 2.86Å
392D93.8Very high91.5Very high4 Ų450.4 Ų50.42%0.02126%0.264CS..Iπ-helixtrans-75.8-43.1-170.5-58.4-38.5000112.6Y31 K35 D387 F388 R395 F396Y31-D392 HydrophobicContact CD1-CB 4.02Å; Y31-D392 WeakPolarHBondContact CD1-OD2 3.28Å; Y31-D392 HydrophobicContact CE1-CB 4.04Å; Y31-D392 WeakPolarHBondContact CE1-OD1 3.35Å; Y31-D392 WeakPolarHBondContact CE1-OD2 3.39Å; K35-D392 WeakPolarHBondContact CD-OD2 2.98Å; K35-D392 WeakPolarHBondContact CE-OD2 3.49Å; K35-D392 IonicContact NZ-OD1 2.88Å; K35-D392 IonicContact NZ-OD2 3.08Å; K35-D392 PolarHBondContact NZ-OD2 3.45Å; D387-D392 PolarHBondContact O-N 2.71Å; D387-D392 VanDerWaalsContact O-N 3.09Å; F388-D392 WeakPolarHBondContact CA-OD2 3.26Å; F388-D392 HydrophobicContact CD2-CB 3.96Å; F388-D392 HydrophobicContact CE2-CB 4.42Å; F388-D392 WeakPolarHBondContact O-CB 3.25Å; F388-D392 PolarHBondContact O-N 3.49Å; D392-R395 CarbonylContact O-C 3.56Å; D392-R395 WeakPolarHBondContact O-CA 3.27Å; D392-R395 WeakPolarHBondContact O-CB 3.06Å; D392-R395 PolarHBondContact O-N 2.86Å; D392-F396 HydrophobicContact CB-CD2 4.43Å; D392-F396 HydrophobicContact CB-CE2 4.33Å; D392-F396 WeakPolarHBondContact O-CD2 3.3Å; D392-F396 PolarHBondContact O-N 3.25Å
393V94.3Very high90.7Very high18 Ų1857.3 Ų57.311%0.10930%0.296CS..Hα-helixtrans-56.3-49.8177.4169.30000111.7L297 T301 F388 R395 F396 L397L297-V393 HydrophobicContact CD1-CG2 4.41Å; T301-V393 HydrophobicContact CG2-CG2 4.24Å; T301-V393 WeakPolarHBondContact OG1-CG2 3.12Å; F388-V393 HydrophobicContact CD1-CG2 4.13Å; F388-V393 HydrophobicContact CE1-CG2 3.73Å; F388-V393 HydrophobicContact CZ-CG2 4.07Å; F388-V393 WeakPolarHBondContact O-CG2 3.27Å; F388-V393 PolarHBondContact O-N 3.09Å; V393-R395 VanDerWaalsContact C-N 3.27Å; V393-R395 PolarHBondContact O-N 3.18Å; V393-F396 PolarHBondContact O-N 2.89Å; V393-F396 VanDerWaalsContact O-N 3.16Å; V393-L397 HydrophobicContact CG1-CD1 4.36Å; V393-L397 WeakPolarHBondContact O-CG 3.22Å; V393-L397 PolarHBondContact O-N 3.12Å
394P94.2Very high89.6Confident56 Ų5655.8 Ų55.836%0.36431%0.305SS..Hα-helixtrans-57.6-35.5172.5-27.936000114.3L397 N398P394-L397 PolarHBondContact O-N 3.28Å; P394-N398 PolarHBondContact O-N 3.43Å; P394-N398 PolarHBondContact O-ND2 2.63Å
395R93Very high88.4Confident130 Ų13056.5 Ų56.549%0.49131%0.314SS..Hα-helixtrans-67.8-41175.8-70.2171.2-179.7-172.81.5111.9L19 I391 D392 V393 L397 N398 V399L19-R395 HydrophobicContact CD1-CB 3.63Å; I391-R395 VanDerWaalsContact CG2-CZ 3.41Å; I391-R395 VanDerWaalsContact O-CG 3.26Å; I391-R395 WeakPolarHBondContact O-CG 3.41Å; I391-R395 PolarHBondContact O-N 2.86Å; D392-R395 CarbonylContact O-C 3.56Å; D392-R395 WeakPolarHBondContact O-CA 3.27Å; D392-R395 WeakPolarHBondContact O-CB 3.06Å; D392-R395 PolarHBondContact O-N 2.86Å; V393-R395 VanDerWaalsContact C-N 3.27Å; V393-R395 PolarHBondContact O-N 3.18Å; R395-L397 VanDerWaalsContact C-N 3.35Å; R395-N398 PolarHBondContact O-N 3.34Å; R395-V399 WeakPolarHBondContact O-CG2 3.37Å
396F93.5Very high87Confident0 Ų059.8 Ų59.80%033%0.33CS..Hα-helixtrans-61.6-43.2174-81.3-71.4000111.5L19 M24 A27 L28 Y31 L297 F388 D392 V393 N398 V399 I400L19-F396 HydrophobicContact CD2-CD1 3.88Å; L19-F396 HydrophobicContact CD2-CE1 3.33Å; L19-F396 HydrophobicContact CD2-CE2 4.37Å; L19-F396 HydrophobicContact CD2-CZ 3.6Å; M24-F396 HydrophobicContact CE-CD1 4.37Å; M24-F396 HydrophobicContact CG-CD1 4.13Å; M24-F396 HydrophobicContact CG-CE1 4.43Å; A27-F396 HydrophobicContact CB-CE1 4.15Å; A27-F396 HydrophobicContact CB-CZ 4.37Å; L28-F396 HydrophobicContact CB-CE1 3.94Å; L28-F396 HydrophobicContact CB-CZ 4.09Å; L28-F396 HydrophobicContact CD1-CD2 4.44Å; L28-F396 HydrophobicContact CD1-CE1 4.34Å; L28-F396 HydrophobicContact CD1-CE2 4.07Å; L28-F396 HydrophobicContact CD1-CZ 4.03Å; Y31-F396 HydrophobicContact CD1-CE2 4.3Å; Y31-F396 HydrophobicContact CD2-CE2 4.4Å; Y31-F396 AromaticContact CD2-CZ 3.96Å; Y31-F396 HydrophobicContact CD2-CZ 3.96Å; Y31-F396 HydrophobicContact CE2-CZ 4.43Å; Y31-F396 HydrophobicContact CG-CE2 4.09Å; Y31-F396 HydrophobicContact CG-CZ 4.06Å; L297-F396 HydrophobicContact CD1-CB 3.75Å; L297-F396 HydrophobicContact CD1-CD2 4.02Å; L297-F396 HydrophobicContact CD1-CG 3.94Å; L297-F396 HydrophobicContact CD2-CB 3.69Å; L297-F396 HydrophobicContact CG-CB 4.37Å; F388-F396 HydrophobicContact CE2-CE2 4.35Å; D392-F396 HydrophobicContact CB-CD2 4.43Å; D392-F396 HydrophobicContact CB-CE2 4.33Å; D392-F396 WeakPolarHBondContact O-CD2 3.3Å; D392-F396 PolarHBondContact O-N 3.25Å; V393-F396 PolarHBondContact O-N 2.89Å; V393-F396 VanDerWaalsContact O-N 3.16Å; F396-N398 PolarHBondContact O-N 3.16Å; F396-V399 PolarHBondContact O-N 2.72Å; F396-I400 VanDerWaalsContact O-CG1 3.27Å; F396-I400 WeakPolarHBondContact O-CG1 3.36Å; F396-I400 PolarHBondContact O-N 2.95Å
397L90.8Very high85.6Confident98 Ų9863.4 Ų63.451%0.51336%0.358SS..Hα-helixtrans-57.6-35.9177.8-71.1173.6000112.8L297 V393 P394 R395 V399 I400L297-L397 HydrophobicContact CD2-CD2 3.85Å; L297-L397 HydrophobicContact CD2-CG 4.11Å; V393-L397 HydrophobicContact CG1-CD1 4.36Å; V393-L397 WeakPolarHBondContact O-CG 3.22Å; V393-L397 PolarHBondContact O-N 3.12Å; P394-L397 PolarHBondContact O-N 3.28Å; R395-L397 VanDerWaalsContact C-N 3.35Å; L397-V399 PolarHBondContact O-N 3.17Å; L397-I400 HydrophobicContact CD2-CD1 3.93Å
398N90.3Very high84.5Confident144 Ų14462.6 Ų62.677%0.7736%0.357SS*.THydrogen-bonded Turntrans-72.6-13.3178.1-69.4-31000114.3P394 R395 F396P394-N398 PolarHBondContact O-N 3.43Å; P394-N398 PolarHBondContact O-ND2 2.63Å; R395-N398 PolarHBondContact O-N 3.34Å; F396-N398 PolarHBondContact O-N 3.16Å
399V88.6Confident83.6Confident26 Ų2667.1 Ų67.116%0.15838%0.382CS..THydrogen-bonded Turntrans-108.7-6.3-174.3177.50000111.9L19 T20 P21 R395 F396 L397L19-V399 HydrophobicContact CB-CG2 4.04Å; T20-V399 WeakPolarHBondContact O-CG1 3.29Å; P21-V399 HydrophobicContact CG-CG1 4.13Å; P21-V399 VanDerWaalsContact N-CG1 3.29Å; R395-V399 WeakPolarHBondContact O-CG2 3.37Å; F396-V399 PolarHBondContact O-N 2.72Å; L397-V399 PolarHBondContact O-N 3.17Å
400I86Confident82.9Confident38 Ų3867 Ų6720%0.19538%0.38CS..PPolyproline II helixtrans-60.8126.3179.1-56.6-166.8000109.5M24 V294 L297 F396 L397M24-I400 HydrophobicContact CE-CD1 4.15Å; M24-I400 HydrophobicContact CE-CG1 3.87Å; M24-I400 HydrophobicContact SD-CG1 4.2Å; V294-I400 HydrophobicContact CB-CD1 4.49Å; V294-I400 HydrophobicContact CG2-CD1 3.75Å; V294-I400 HydrophobicContact CG2-CG2 3.8Å; L297-I400 HydrophobicContact CD2-CD1 4.17Å; F396-I400 VanDerWaalsContact O-CG1 3.27Å; F396-I400 WeakPolarHBondContact O-CG1 3.36Å; F396-I400 PolarHBondContact O-N 2.95Å; L397-I400 HydrophobicContact CD2-CD1 3.93Å
401P76.9Confident82Confident15 Ų1563.9 Ų63.910%0.09737%0.373CS..PPolyproline II helixtrans-63.7138.6177.525.7-33000110.5P21P21-P401 HydrophobicContact CB-CB 4.48Å
402P78.7Confident81Confident94 Ų9462.7 Ų62.761%0.6136%0.364SS*.PPolyproline II helixtrans-66.2150.6174.125.7-29.6000110.6G404 S405P402-G404 PolarHBondContact O-N 3.37Å; P402-S405 VanDerWaalsContact O-CB 3.3Å; P402-S405 WeakPolarHBondContact O-CB 3.49Å; P402-S405 PolarHBondContact O-N 3.43Å; P402-S405 PolarHBondContact O-OG 3.42Å
403E73.7Confident80.3Confident157 Ų15762.7 Ų62.773%0.73436%0.364SS*.THydrogen-bonded Turntrans-54.4134.9175.9-67.8-177179.400111S405E403-S405 VanDerWaalsContact C-N 3.35Å; E403-S405 PolarHBondContact O-N 3.39Å
404G70.7Confident79.2Confident60 Ų6063.8 Ų63.862%0.61937%0.374SS*.THydrogen-bonded Turntrans83.5-1.7-179.900000115.8Y290 P402 I406Y290-G404 VanDerWaalsContact CZ-N 3.25Å; Y290-G404 VanDerWaalsContact OH-CA 3.29Å; Y290-G404 WeakPolarHBondContact OH-CA 3.13Å; P402-G404 PolarHBondContact O-N 3.37Å; G404-I406 VanDerWaalsContact C-N 3.34Å; G404-I406 PolarHBondContact O-N 2.89Å
405S69.2Low77.9Confident59 Ų5966.5 Ų66.541%0.41339%0.386SS..  trans-75.5-16.6-17857.30000115.4P402 E403 P407P402-S405 VanDerWaalsContact O-CB 3.3Å; P402-S405 WeakPolarHBondContact O-CB 3.49Å; P402-S405 PolarHBondContact O-N 3.43Å; P402-S405 PolarHBondContact O-OG 3.42Å; E403-S405 VanDerWaalsContact C-N 3.35Å; E403-S405 PolarHBondContact O-N 3.39Å; S405-P407 WeakPolarHBondContact O-CD 3.43Å
406I66.2Low76.1Confident68 Ų6862.4 Ų62.435%0.34938%0.377SS..SBendtrans-101.5108.8-176-57.7169.7000108Y290 G404 A408Y290-I406 HydrophobicContact CD1-CD1 4.16Å; Y290-I406 HydrophobicContact CD1-CG1 4.46Å; Y290-I406 HydrophobicContact CE1-CB 3.77Å; Y290-I406 HydrophobicContact CE1-CD1 3.94Å; Y290-I406 HydrophobicContact CE1-CG1 3.82Å; Y290-I406 PolarHBondContact OH-N 2.89Å; Y290-I406 PolarHBondContact OH-O 3.32Å; G404-I406 VanDerWaalsContact C-N 3.34Å; G404-I406 PolarHBondContact O-N 2.89Å; I406-A408 PolarHBondContact O-N 2.92Å; I406-A408 VanDerWaalsContact O-N 3.13Å
407P64.8Low73.9Confident125 Ų12563.9 Ų63.981%0.81239%0.387SS*.  trans-63.1119.4173.725.7-32000108.9S405S405-P407 WeakPolarHBondContact O-CD 3.43Å
408A71Confident71.8Confident28 Ų2860 Ų6023%0.23137%0.366CS..  trans-136.7137.1-175.700000109.9H151 I406 Y410H151-A408 VanDerWaalsContact CE1-CB 3.42Å; H151-A408 WeakPolarHBondContact CE1-CB 3.33Å; I406-A408 PolarHBondContact O-N 2.92Å; I406-A408 VanDerWaalsContact O-N 3.13Å; A408-Y410 HydrophobicContact CB-CD2 4.07Å; A408-Y410 HydrophobicContact CB-CE1 4.03Å; A408-Y410 HydrophobicContact CB-CE2 3.4Å; A408-Y410 VanDerWaalsContact CB-CE2 3.4Å; A408-Y410 WeakPolarHBondContact CB-OH 3.45Å; A408-Y410 WeakPolarHBondContact O-CD2 3.28Å; A408-Y410 PolarHBondContact O-N 3.22Å
409N77.1Confident69.7Low96 Ų9656.5 Ų56.551%0.51334%0.343SS..  trans-89.793.6176.6-176.7-3.6000108.7P147 H151 G411P147-N409 CarbonylContact C-O 3.54Å; P147-N409 HydrophobicContact CB-CB 4.19Å; H151-N409 PolarHBondContact NE2-N 3.04Å; N409-G411 PolarHBondContact O-N 3.22Å; N409-G411 PolarHBondContact OD1-N 3.47Å; N409-G411 VanDerWaalsContact OD1-N 3.07Å
410Y80Confident67.6Low17 Ų1758.1 Ų58.17%0.06736%0.358CS..  trans-80.9-0.4179.6-65.1-71.1000113.9L148 H151 R286 T289 A408 R412 L413L148-Y410 HydrophobicContact CD1-CD1 4.16Å; H151-Y410 HydrophobicContact CB-CE1 4.14Å; R286-Y410 HydrophobicContact CB-CE1 4.35Å; R286-Y410 HydrophobicContact CG-CD1 3.83Å; R286-Y410 HydrophobicContact CG-CD2 3.99Å; R286-Y410 HydrophobicContact CG-CE1 4.04Å; R286-Y410 HydrophobicContact CG-CE2 4.19Å; R286-Y410 HydrophobicContact CG-CG 3.81Å; T289-Y410 HydrophobicContact CG2-CE1 3.78Å; T289-Y410 PolarHBondContact OG1-OH 2.98Å; A408-Y410 HydrophobicContact CB-CD2 4.07Å; A408-Y410 HydrophobicContact CB-CE1 4.03Å; A408-Y410 HydrophobicContact CB-CE2 3.4Å; A408-Y410 VanDerWaalsContact CB-CE2 3.4Å; A408-Y410 WeakPolarHBondContact CB-OH 3.45Å; A408-Y410 WeakPolarHBondContact O-CD2 3.28Å; A408-Y410 PolarHBondContact O-N 3.22Å; Y410-R412 PolarHBondContact O-N 3.2Å; Y410-L413 WeakPolarHBondContact O-CB 3.47Å; Y410-L413 PolarHBondContact O-N 3.4Å
411G74.9Confident65.4Low40 Ų4065.7 Ų65.741%0.41239%0.393SS..G310 helixtrans54-125.5-174.900000111.2N409 L413 A414N409-G411 PolarHBondContact O-N 3.22Å; N409-G411 PolarHBondContact OD1-N 3.47Å; N409-G411 VanDerWaalsContact OD1-N 3.07Å; G411-L413 PolarHBondContact O-N 3.48Å; G411-A414 WeakPolarHBondContact O-CB 3.2Å; G411-A414 PolarHBondContact O-N 3.22Å
412R74Confident63.9Low44 Ų4466.9 Ų66.917%0.16640%0.402CS..G310 helixtrans-68.3-18.5178.4-75.6176.5174.7-1614.6114.6H80 N83 D262 Y410H80-R412 PolarHBondContact CE1-NH1 2.91Å; H80-R412 VanDerWaalsContact CE1-NH1 3.35Å; H80-R412 PolarHBondContact ND1-NH1 2.77Å; H80-R412 WeakPolarHBondContact O-CD 3.28Å; H80-R412 PolarHBondContact O-NH1 3.21Å; N83-R412 HydrophobicContact CB-CG 4.33Å; N83-R412 PolarHBondContact OD1-NE 3.32Å; N83-R412 PolarHBondContact OD1-NH2 3.22Å; D262-R412 IonicContact OD1-CZ 2.99Å; D262-R412 IonicContact OD1-NH1 3.36Å; D262-R412 PolarHBondContact OD1-NH1 2.74Å; D262-R412 IonicContact OD1-NH2 3.62Å; D262-R412 PolarHBondContact OD1-NH2 3.14Å; D262-R412 IonicContact OD2-CZ 3.65Å; D262-R412 IonicContact OD2-NH1 3.53Å; D262-R412 PolarHBondContact OD2-NH1 2.84Å; D262-R412 IonicContact OD2-NH2 3.77Å; D262-R412 PolarHBondContact OD2-NH2 2.78Å; Y410-R412 PolarHBondContact O-N 3.2Å
413L77.7Confident62.5Low4 Ų468.5 Ų68.52%0.02140%0.401CS..G310 helixtrans-78.7-8171-70.6-174.6000112.3F81 L148 I152 C282 L285 R286 Y410 G411F81-L413 HydrophobicContact CB-CD2 4.49Å; F81-L413 HydrophobicContact CB-CG 4.47Å; F81-L413 HydrophobicContact CD1-CD2 3.6Å; F81-L413 HydrophobicContact CD1-CG 4.38Å; F81-L413 HydrophobicContact CD2-CD2 4.31Å; F81-L413 HydrophobicContact CE1-CD2 3.77Å; F81-L413 HydrophobicContact CE2-CD2 4.44Å; F81-L413 HydrophobicContact CG-CD2 3.9Å; F81-L413 HydrophobicContact CG-CG 4.39Å; F81-L413 HydrophobicContact CZ-CD2 4.19Å; L148-L413 HydrophobicContact CD1-CB 4.39Å; L148-L413 HydrophobicContact CD1-CD1 3.63Å; L148-L413 HydrophobicContact CD1-CG 4.33Å; L148-L413 HydrophobicContact CD2-CD1 3.61Å; L148-L413 HydrophobicContact CD2-CG 3.94Å; L148-L413 HydrophobicContact CG-CD1 4.26Å; I152-L413 HydrophobicContact CD1-CD1 4.45Å; C282-L413 HydrophobicContact CB-CD2 4.07Å; C282-L413 WeakPolarHBondContact SG-CD2 3.21Å; L285-L413 HydrophobicContact CB-CD1 4.16Å; L285-L413 HydrophobicContact CD1-CD1 4.17Å; L285-L413 HydrophobicContact CD1-CD2 3.99Å; R286-L413 WeakPolarHBondContact CD-O 3.5Å; R286-L413 PolarHBondContact NH1-O 3.16Å; Y410-L413 WeakPolarHBondContact O-CB 3.47Å; Y410-L413 PolarHBondContact O-N 3.4Å; G411-L413 PolarHBondContact O-N 3.48Å
414A72.8Confident61.8Low40 Ų4070 Ų7033%0.33141%0.405SS..SBendtrans-61.7163175.400000111.2R286 G411 S416R286-A414 PolarHBondContact NH1-O 3.43Å; G411-A414 WeakPolarHBondContact O-CB 3.2Å; G411-A414 PolarHBondContact O-N 3.22Å; A414-S416 PolarHBondContact O-N 3Å; A414-S416 VanDerWaalsContact O-N 3.12Å
415D67.1Low61.8Low114 Ų11468 Ų6861%0.6138%0.379SS*.  trans-57.4126.1172.5-83.9-47.2000108.1R286 T417R286-D415 IonicContact CZ-OD1 2.72Å; R286-D415 VanDerWaalsContact CZ-OD1 3.31Å; R286-D415 IonicContact CZ-OD2 2.74Å; R286-D415 IonicContact NH1-OD1 3.68Å; R286-D415 PolarHBondContact NH1-OD1 3.09Å; R286-D415 IonicContact NH2-OD1 3.34Å; R286-D415 PolarHBondContact NH2-OD1 3.37Å; R286-D415 IonicContact NH2-OD2 2.89Å; R286-D415 PolarHBondContact NH2-OD2 3.35Å; R286-D415 VanDerWaalsContact NH2-OD2 3.16Å; D415-T417 PolarHBondContact O-N 2.86Å
416S54.5Low62Low44 Ų4468.8 Ų68.831%0.30838%0.379SS..  trans-61.7108.4172.8-176.80000106.6A414 L418 Y419A414-S416 PolarHBondContact O-N 3Å; A414-S416 VanDerWaalsContact O-N 3.12Å; S416-L418 PolarHBondContact O-N 3.48Å; S416-L418 VanDerWaalsContact OG-CB 3.27Å; S416-L418 WeakPolarHBondContact OG-CB 3.24Å; S416-L418 WeakPolarHBondContact OG-CD1 3.45Å; S416-L418 VanDerWaalsContact OG-CG 3.23Å; S416-L418 WeakPolarHBondContact OG-CG 3.46Å; S416-L418 PolarHBondContact OG-N 3.16Å; S416-Y419 PolarHBondContact O-N 3.3Å
417T47.8Very low62.5Low31 Ų3166.9 Ų66.919%0.1937%0.368CS..THydrogen-bonded Turntrans-61.5-7.3172.355.50000110.3D415 Y419 S507 I508D415-T417 PolarHBondContact O-N 2.86Å; T417-Y419 PolarHBondContact O-N 2.8Å; T417-S507 CarbonylContact O-C 3.59Å; T417-S507 WeakPolarHBondContact O-CA 3.38Å; T417-S507 WeakPolarHBondContact O-CB 3.5Å; T417-I508 PolarHBondContact O-N 3.06Å
418L45.2Very low62.9Low15 Ų1565 Ų658%0.07936%0.357CS..THydrogen-bonded Turntrans-65.9-18.7175.8-54174.5000114.3S416 M471 Q474 I508S416-L418 PolarHBondContact O-N 3.48Å; S416-L418 VanDerWaalsContact OG-CB 3.27Å; S416-L418 WeakPolarHBondContact OG-CB 3.24Å; S416-L418 WeakPolarHBondContact OG-CD1 3.45Å; S416-L418 VanDerWaalsContact OG-CG 3.23Å; S416-L418 WeakPolarHBondContact OG-CG 3.46Å; S416-L418 PolarHBondContact OG-N 3.16Å; L418-M471 HydrophobicContact CD1-CG 4.29Å; L418-M471 HydrophobicContact CD2-CG 4.15Å; L418-M471 HydrophobicContact CG-CG 4.42Å; L418-Q474 VanDerWaalsContact CD1-OE1 3.22Å; L418-Q474 HydrophobicContact CD2-CG 4.44Å; L418-I508 CarbonylContact C-O 3.58Å; L418-I508 VanDerWaalsContact C-O 3.27Å; L418-I508 WeakPolarHBondContact CA-O 3.32Å; L418-I508 HydrophobicContact CD2-CB 3.69Å; L418-I508 HydrophobicContact CD2-CD1 3.37Å; L418-I508 HydrophobicContact CD2-CG1 3.73Å; L418-I508 HydrophobicContact CD2-CG2 4.47Å
419Y46.6Very low63.2Low72 Ų7265.6 Ų65.628%0.28236%0.362SS..SBendtrans-130.3-1.2-170.6-54-75.5000115.5E275 S416 T417 Q421 D510E275-Y419 PolarHBondContact OE1-OH 3.32Å; E275-Y419 PolarHBondContact OE2-OH 3.29Å; E275-Y419 VanDerWaalsContact OE2-OH 3.07Å; S416-Y419 PolarHBondContact O-N 3.3Å; T417-Y419 PolarHBondContact O-N 2.8Å; Y419-Q421 PolarHBondContact O-N 2.86Å; Y419-D510 VanDerWaalsContact CE1-OD1 3.23Å; Y419-D510 WeakPolarHBondContact CE1-OD1 3.31Å
420A44.2Very low63.3Low59 Ų5961 Ų6149%0.48834%0.337SS..SBendtrans-69.5123.9170.200000107.7S422 S507A420-S422 WeakPolarHBondContact O-CA 3.3Å; A420-S422 PolarHBondContact O-N 3.25Å; A420-S507 WeakPolarHBondContact O-CB 3.31Å; A420-S507 PolarHBondContact O-OG 2.99Å
421Q39.6Very low63.1Low197 Ų19762.6 Ų62.692%0.92135%0.347SS*.  trans-29.899.1178.5-69.9179.8-500110.5Y419 E423Y419-Q421 PolarHBondContact O-N 2.86Å; Q421-E423 PolarHBondContact O-N 3.43Å
422S46.8Very low63.2Low41 Ų4167.3 Ų67.329%0.28736%0.358SS..  trans-62.3127.1-169.958.80000108.5A420 K424 S507A420-S422 WeakPolarHBondContact O-CA 3.3Å; A420-S422 PolarHBondContact O-N 3.25Å; S422-K424 PolarHBondContact O-N 2.61Å; S422-S507 WeakPolarHBondContact CA-OG 3.35Å
423E49.5Very low63.6Low127 Ų12766 Ų6659%0.59336%0.356SS*.  trans-52.1115.3163.5-80.7-172.815900107.7Q421 F425 R501 H506Q421-E423 PolarHBondContact O-N 3.43Å; E423-F425 PolarHBondContact O-N 3.49Å; E423-R501 IonicContact OE2-NH2 3.51Å; E423-R501 PolarHBondContact OE2-NH2 3.36Å; E423-R501 VanDerWaalsContact OE2-NH2 3.08Å; E423-H506 IonicContact OE2-CD2 3.44Å
424K58.4Low63.7Low188 Ų18865.8 Ų65.882%0.81736%0.355SS*.  trans-60.6126177.4-65.4-171.4176.9-167.20108.2S422S422-K424 PolarHBondContact O-N 2.61Å
425F69.9Low64Low18 Ų1870.6 Ų70.68%0.07937%0.371CS..  trans-120.1153.8171.868.7-92.4000109.6E423 L494 F497 L498 P509 L512 A516E423-F425 PolarHBondContact O-N 3.49Å; F425-L494 HydrophobicContact CE2-CD1 4.22Å; F425-L494 HydrophobicContact CZ-CD1 4.43Å; F425-F497 HydrophobicContact CB-CE1 4.43Å; F425-F497 HydrophobicContact CD1-CE1 4.2Å; F425-F497 HydrophobicContact CD2-CD1 4.27Å; F425-F497 AromaticContact CD2-CE1 3.45Å; F425-F497 HydrophobicContact CD2-CE1 3.45Å; F425-F497 VanDerWaalsContact CD2-CE1 3.45Å; F425-F497 HydrophobicContact CD2-CZ 4.16Å; F425-F497 HydrophobicContact CE1-CE1 4.31Å; F425-F497 AromaticContact CE2-CD1 3.96Å; F425-F497 HydrophobicContact CE2-CD1 3.96Å; F425-F497 AromaticContact CE2-CE1 3.57Å; F425-F497 HydrophobicContact CE2-CE1 3.57Å; F425-F497 AromaticContact CG-CE1 3.77Å; F425-F497 HydrophobicContact CG-CE1 3.77Å; F425-F497 HydrophobicContact CG-CZ 4.34Å; F425-F497 HydrophobicContact CZ-CD1 4.28Å; F425-F497 HydrophobicContact CZ-CE1 4.01Å; F425-L498 HydrophobicContact CE1-CD2 4.06Å; F425-L498 HydrophobicContact CZ-CD2 3.82Å; F425-P509 HydrophobicContact CE1-CG 4.32Å; F425-L512 HydrophobicContact CE1-CD2 4.06Å; F425-L512 HydrophobicContact CZ-CD2 3.6Å; F425-A516 HydrophobicContact CD2-CB 4.03Å; F425-A516 HydrophobicContact CE2-CB 3.64Å; F425-A516 HydrophobicContact CZ-CB 3.97Å; F425-A516 WeakPolarHBondContact O-CB 3.48Å
426D74Confident64.8Low77 Ų7773.4 Ų73.441%0.41238%0.378SS..  trans-107157.5175-66.9-29.4000109.9C428 A429 R515D426-C428 PolarHBondContact O-N 3.03Å; D426-C428 VanDerWaalsContact O-N 3.14Å; D426-A429 WeakPolarHBondContact O-CB 3.48Å; D426-A429 PolarHBondContact O-N 3.06Å; D426-R515 CarbonylContact C-O 3.6Å; D426-R515 WeakPolarHBondContact OD1-CB 3.44Å; D426-R515 WeakPolarHBondContact OD1-CD 3.43Å
427W76.4Confident66.3Low28 Ų2875 Ų7511%0.10638%0.38CS..Hα-helixtrans-53.6-34.4179.8176.5-107.8000112.6A429 A430 D431 D490 C493 L494 R515 P518W427-A429 PolarHBondContact O-N 3.2Å; W427-A430 HydrophobicContact CE3-CB 3.98Å; W427-A430 HydrophobicContact CZ3-CB 4.06Å; W427-A430 WeakPolarHBondContact O-CA 3.48Å; W427-A430 WeakPolarHBondContact O-CB 3.4Å; W427-A430 PolarHBondContact O-N 3.02Å; W427-D431 WeakPolarHBondContact O-CB 3.4Å; W427-D431 PolarHBondContact O-N 3Å; W427-D490 HydrophobicContact CH2-CB 3.78Å; W427-D490 VanDerWaalsContact CH2-O 3.31Å; W427-D490 WeakPolarHBondContact CH2-O 3.42Å; W427-D490 HydrophobicContact CZ2-CB 3.77Å; W427-C493 HydrophobicContact CH2-CB 4.46Å; W427-L494 HydrophobicContact CZ3-CB 3.97Å; W427-L494 HydrophobicContact CZ3-CD1 4.22Å; W427-L494 HydrophobicContact CZ3-CG 4.48Å; W427-R515 VanDerWaalsContact CB-O 3.25Å; W427-R515 WeakPolarHBondContact CB-O 3.21Å; W427-R515 PolarHBondContact N-O 3.22Å; W427-P518 HydrophobicContact CD2-CB 4.5Å; W427-P518 HydrophobicContact CE3-CB 4.4Å; W427-P518 HydrophobicContact CE3-CG 4.09Å; W427-P518 HydrophobicContact CH2-CB 4Å; W427-P518 HydrophobicContact CH2-CG 3.71Å; W427-P518 HydrophobicContact CZ2-CB 4.06Å; W427-P518 HydrophobicContact CZ2-CG 4.28Å; W427-P518 HydrophobicContact CZ3-CB 4.18Å; W427-P518 HydrophobicContact CZ3-CG 3.61Å
428C74.1Confident68Low85 Ų8574.6 Ų74.657%0.57438%0.382SS*.Hα-helixtrans-54.8-37175.5-62.10000112.5D426 D431 E432D426-C428 PolarHBondContact O-N 3.03Å; D426-C428 VanDerWaalsContact O-N 3.14Å; C428-D431 PolarHBondContact O-N 2.89Å; C428-E432 WeakPolarHBondContact O-CB 3.23Å; C428-E432 VanDerWaalsContact O-CG 3.29Å; C428-E432 WeakPolarHBondContact O-CG 3.27Å; C428-E432 PolarHBondContact O-N 3.27Å
429A77.4Confident70Confident41 Ų4174.5 Ų74.534%0.33938%0.38SS..Hα-helixtrans-70.7-35.5177.500000112.2D426 W427 A433 F497D426-A429 WeakPolarHBondContact O-CB 3.48Å; D426-A429 PolarHBondContact O-N 3.06Å; W427-A429 PolarHBondContact O-N 3.2Å; A429-A433 VanDerWaalsContact O-CB 3.31Å; A429-A433 WeakPolarHBondContact O-CB 3.49Å; A429-A433 PolarHBondContact O-N 3.04Å; A429-A433 VanDerWaalsContact O-N 3.16Å; A429-F497 HydrophobicContact CB-CZ 4.25Å
430A77.7Confident71.9Confident0 Ų073.6 Ų73.60%038%0.376CS..Hα-helixtrans-68.9-41.8174.400000111.3W427 A433 A434 F497W427-A430 HydrophobicContact CE3-CB 3.98Å; W427-A430 HydrophobicContact CZ3-CB 4.06Å; W427-A430 WeakPolarHBondContact O-CA 3.48Å; W427-A430 WeakPolarHBondContact O-CB 3.4Å; W427-A430 PolarHBondContact O-N 3.02Å; A430-A433 PolarHBondContact O-N 3.07Å; A430-A434 WeakPolarHBondContact O-CB 3.36Å; A430-A434 PolarHBondContact O-N 3.01Å; A430-F497 HydrophobicContact CB-CB 4.17Å; A430-F497 HydrophobicContact CB-CD1 3.95Å; A430-F497 HydrophobicContact CB-CD2 4.15Å; A430-F497 HydrophobicContact CB-CE1 4.32Å; A430-F497 HydrophobicContact CB-CE2 4.49Å; A430-F497 HydrophobicContact CB-CG 3.83Å
431D75.5Confident73.8Confident50 Ų5078 Ų7827%0.26739%0.385SS..Hα-helixtrans-67.6-45.6179-166.138.8000112.2W427 C428 A433 A434 E435 R440W427-D431 WeakPolarHBondContact O-CB 3.4Å; W427-D431 PolarHBondContact O-N 3Å; C428-D431 PolarHBondContact O-N 2.89Å; D431-A433 VanDerWaalsContact C-N 3.32Å; D431-A433 PolarHBondContact O-N 3.38Å; D431-A434 WeakPolarHBondContact O-CB 3.44Å; D431-A434 PolarHBondContact O-N 3.34Å; D431-A434 VanDerWaalsContact O-N 3.11Å; D431-E435 PolarHBondContact O-N 2.97Å; D431-R440 IonicContact OD1-CZ 3.26Å; D431-R440 IonicContact OD1-NE 3.53Å; D431-R440 IonicContact OD1-NH2 2.67Å; D431-R440 PolarHBondContact OD1-NH2 2.94Å
432E78.4Confident75.9Confident138 Ų13871.8 Ų71.865%0.64536%0.356SS*.Hα-helixtrans-60.2-40.5173.8-77.4178.7-16900112.1C428 A434 E435 K436C428-E432 WeakPolarHBondContact O-CB 3.23Å; C428-E432 VanDerWaalsContact O-CG 3.29Å; C428-E432 WeakPolarHBondContact O-CG 3.27Å; C428-E432 PolarHBondContact O-N 3.27Å; E432-A434 VanDerWaalsContact C-N 3.34Å; E432-E435 PolarHBondContact O-N 3.07Å; E432-K436 VanDerWaalsContact O-CB 3.26Å; E432-K436 WeakPolarHBondContact O-CB 3.3Å; E432-K436 PolarHBondContact O-N 3.48Å
433A81Confident77.8Confident16 Ų1670 Ų7013%0.13234%0.343CS..Hα-helixtrans-65.6-39.117500000111.6A429 A430 D431 K436 H437 W439 F497A429-A433 VanDerWaalsContact O-CB 3.31Å; A429-A433 WeakPolarHBondContact O-CB 3.49Å; A429-A433 PolarHBondContact O-N 3.04Å; A429-A433 VanDerWaalsContact O-N 3.16Å; A430-A433 PolarHBondContact O-N 3.07Å; D431-A433 VanDerWaalsContact C-N 3.32Å; D431-A433 PolarHBondContact O-N 3.38Å; A433-K436 PolarHBondContact O-N 2.72Å; A433-H437 WeakPolarHBondContact O-CB 3.39Å; A433-H437 PolarHBondContact O-CD2 3.31Å; A433-H437 VanDerWaalsContact O-CD2 3.24Å; A433-H437 PolarHBondContact O-N 3.27Å; A433-W439 HydrophobicContact CB-CH2 3.78Å; A433-W439 HydrophobicContact CB-CZ3 3.82Å; A433-F497 HydrophobicContact CB-CD2 3.81Å; A433-F497 HydrophobicContact CB-CE2 4.11Å
434A81.2Confident79.4Confident0 Ų069.9 Ų69.90%034%0.342CS..Hα-helixtrans-63.9-41.3176.600000112.7A430 D431 E432 G438 W439 C493A430-A434 WeakPolarHBondContact O-CB 3.36Å; A430-A434 PolarHBondContact O-N 3.01Å; D431-A434 WeakPolarHBondContact O-CB 3.44Å; D431-A434 PolarHBondContact O-N 3.34Å; D431-A434 VanDerWaalsContact O-N 3.11Å; E432-A434 VanDerWaalsContact C-N 3.34Å; A434-G438 CarbonylContact O-C 3.47Å; A434-G438 WeakPolarHBondContact O-CA 3.37Å; A434-G438 PolarHBondContact O-N 3.12Å; A434-W439 HydrophobicContact CB-CB 4.41Å; A434-W439 HydrophobicContact CB-CD2 4.44Å; A434-W439 HydrophobicContact CB-CE3 3.66Å; A434-W439 HydrophobicContact CB-CZ3 4.31Å; A434-W439 PolarHBondContact O-N 3.43Å; A434-C493 HydrophobicContact CB-CB 3.78Å
435E79.3Confident80.7Confident142 Ų14268.8 Ų68.866%0.66434%0.337SS*.Hα-helixtrans-65.6-47.3172.9-71.3-161.4148.700111.6D431 E432 H437 G438D431-E435 PolarHBondContact O-N 2.97Å; E432-E435 PolarHBondContact O-N 3.07Å; E435-H437 VanDerWaalsContact C-N 3.34Å; E435-H437 PolarHBondContact O-N 3.35Å; E435-G438 PolarHBondContact O-N 3.19Å
436K83.5Confident81.4Confident172 Ų17270.3 Ų70.375%0.74835%0.346SS*.Hα-helixtrans-60.3-41.6-178.8-178.7178.6179.3178.30112.8E432 A433E432-K436 VanDerWaalsContact O-CB 3.26Å; E432-K436 WeakPolarHBondContact O-CB 3.3Å; E432-K436 PolarHBondContact O-N 3.48Å; A433-K436 PolarHBondContact O-N 2.72Å
437H85.2Confident81.7Confident79 Ų7975.2 Ų75.237%0.36636%0.364SS..Hα-helixtrans-91.7-6.9-179.6-70.2-70.5000113.5A433 E435 W439 K500A433-H437 WeakPolarHBondContact O-CB 3.39Å; A433-H437 PolarHBondContact O-CD2 3.31Å; A433-H437 VanDerWaalsContact O-CD2 3.24Å; A433-H437 PolarHBondContact O-N 3.27Å; E435-H437 VanDerWaalsContact C-N 3.34Å; E435-H437 PolarHBondContact O-N 3.35Å; H437-W439 VanDerWaalsContact C-N 3.32Å; H437-W439 HydrophobicContact CB-CD2 4.08Å; H437-W439 VanDerWaalsContact CB-CE2 3.46Å; H437-W439 HydrophobicContact CB-CG 4.15Å; H437-W439 HydrophobicContact CB-CZ2 3.93Å; H437-W439 AromaticContact CD2-CZ2 3.67Å; H437-W439 AromaticContact CG-CE2 3.96Å; H437-W439 AromaticContact CG-CZ2 3.91Å; H437-W439 AromaticContact CG-NE1 3.92Å; H437-W439 PolarHBondContact O-N 2.92Å; H437-K500 PolarHBondContact CE1-NZ 3.16Å; H437-K500 PolarHBondContact NE2-NZ 3.42Å
438G84.6Confident81.8Confident21 Ų2175.9 Ų75.922%0.21637%0.372CS..THydrogen-bonded Turntrans68.228.8-179.900000113.7A434 E435 R440 K441 E442A434-G438 CarbonylContact O-C 3.47Å; A434-G438 WeakPolarHBondContact O-CA 3.37Å; A434-G438 PolarHBondContact O-N 3.12Å; E435-G438 PolarHBondContact O-N 3.19Å; G438-R440 PolarHBondContact O-N 3.39Å; G438-K441 WeakPolarHBondContact O-CB 3.49Å; G438-K441 PolarHBondContact O-N 3.44Å; G438-E442 PolarHBondContact O-N 2.89Å
439W86.6Confident81.8Confident14 Ų1478.9 Ų78.95%0.05338%0.381CS..Hα-helixtrans-60.9-32.6-178.3-63-27.3000112.7A433 A434 H437 K441 E442 F443 K496 F497 K500A433-W439 HydrophobicContact CB-CH2 3.78Å; A433-W439 HydrophobicContact CB-CZ3 3.82Å; A434-W439 HydrophobicContact CB-CB 4.41Å; A434-W439 HydrophobicContact CB-CD2 4.44Å; A434-W439 HydrophobicContact CB-CE3 3.66Å; A434-W439 HydrophobicContact CB-CZ3 4.31Å; A434-W439 PolarHBondContact O-N 3.43Å; H437-W439 VanDerWaalsContact C-N 3.32Å; H437-W439 HydrophobicContact CB-CD2 4.08Å; H437-W439 VanDerWaalsContact CB-CE2 3.46Å; H437-W439 HydrophobicContact CB-CG 4.15Å; H437-W439 HydrophobicContact CB-CZ2 3.93Å; H437-W439 AromaticContact CD2-CZ2 3.67Å; H437-W439 AromaticContact CG-CE2 3.96Å; H437-W439 AromaticContact CG-CZ2 3.91Å; H437-W439 AromaticContact CG-NE1 3.92Å; H437-W439 PolarHBondContact O-N 2.92Å; W439-K441 VanDerWaalsContact C-N 3.26Å; W439-K441 PolarHBondContact O-N 3.25Å; W439-E442 WeakPolarHBondContact O-CA 3.48Å; W439-E442 WeakPolarHBondContact O-CB 2.96Å; W439-E442 PolarHBondContact O-N 2.95Å; W439-F443 PolarHBondContact O-N 3.33Å; W439-K496 HydrophobicContact CD2-CB 3.54Å; W439-K496 HydrophobicContact CD2-CG 4.17Å; W439-K496 HydrophobicContact CE3-CB 3.61Å; W439-K496 HydrophobicContact CG-CB 4.04Å; W439-K496 HydrophobicContact CG-CG 4.13Å; W439-K496 HydrophobicContact CH2-CB 4.27Å; W439-K496 HydrophobicContact CZ2-CB 4.16Å; W439-K496 HydrophobicContact CZ3-CB 4.01Å; W439-F497 HydrophobicContact CH2-CB 4.22Å; W439-F497 HydrophobicContact CH2-CD2 4.39Å; W439-F497 HydrophobicContact CZ3-CB 3.86Å; W439-F497 HydrophobicContact CZ3-CD2 4.4Å; W439-K500 HydrophobicContact CH2-CD 4.39Å; W439-K500 HydrophobicContact CZ2-CD 4.07Å
440R85.8Confident81.7Confident52 Ų5284.9 Ų84.920%0.19641%0.407CS..Hα-helixtrans-58.7-36.8172.7-63.8-173.6177.5-74.6-1.1112.7D431 G438 F443 Q444 E489 D490D431-R440 IonicContact OD1-CZ 3.26Å; D431-R440 IonicContact OD1-NE 3.53Å; D431-R440 IonicContact OD1-NH2 2.67Å; D431-R440 PolarHBondContact OD1-NH2 2.94Å; G438-R440 PolarHBondContact O-N 3.39Å; R440-F443 PolarHBondContact O-N 3.46Å; R440-Q444 WeakPolarHBondContact O-CG 3.32Å; R440-Q444 PolarHBondContact O-N 3.37Å; R440-E489 VanDerWaalsContact CB-OE1 3.26Å; R440-E489 WeakPolarHBondContact CB-OE1 3.44Å; R440-E489 VanDerWaalsContact CD-OE1 3.3Å; R440-E489 WeakPolarHBondContact CD-OE1 3.5Å; R440-E489 HydrophobicContact CG-CG 4.44Å; R440-E489 WeakPolarHBondContact CG-OE1 3.38Å; R440-E489 IonicContact CZ-OE1 3.04Å; R440-E489 IonicContact NH1-OE1 3.9Å; R440-E489 PolarHBondContact NH1-OE1 3.36Å; R440-D490 IonicContact CZ-OD1 3.81Å; R440-D490 IonicContact NH1-OD1 3.33Å; R440-D490 PolarHBondContact NH1-OD1 3.35Å; R440-D490 IonicContact NH2-OD1 3.6Å; R440-D490 PolarHBondContact NH2-OD1 2.91Å
441K84.7Confident81.8Confident152 Ų15286.9 Ų86.966%0.66143%0.428SS*.Hα-helixtrans-73.5-30.6174.4-62.7177.8-178.6171.40112.1G438 W439 K445G438-K441 WeakPolarHBondContact O-CB 3.49Å; G438-K441 PolarHBondContact O-N 3.44Å; W439-K441 VanDerWaalsContact C-N 3.26Å; W439-K441 PolarHBondContact O-N 3.25Å; K441-K445 WeakPolarHBondContact O-CG 3.48Å; K441-K445 PolarHBondContact O-N 3.18Å
442E85Confident82.2Confident67 Ų6787.7 Ų87.731%0.31343%0.428SS..Hα-helixtrans-67.5-43.6172.5-65.8-179.5-163.300111.1G438 W439 Q444 K445 L446 Y492 K496G438-E442 PolarHBondContact O-N 2.89Å; W439-E442 WeakPolarHBondContact O-CA 3.48Å; W439-E442 WeakPolarHBondContact O-CB 2.96Å; W439-E442 PolarHBondContact O-N 2.95Å; E442-Q444 VanDerWaalsContact C-N 3.32Å; E442-Q444 PolarHBondContact O-N 3.4Å; E442-K445 WeakPolarHBondContact O-CB 3.42Å; E442-K445 PolarHBondContact O-N 3.37Å; E442-L446 PolarHBondContact O-N 3.34Å; E442-Y492 HydrophobicContact CB-CE1 4.29Å; E442-K496 WeakPolarHBondContact OE2-CE 3.47Å; E442-K496 IonicContact OE2-NZ 3.52Å; E442-K496 PolarHBondContact OE2-NZ 3.23Å
443F84.8Confident82.4Confident4 Ų481.3 Ų81.32%0.01840%0.398CS..Hα-helixtrans-56.9-45.7176.3-176.2-102.6000111.7W439 R440 K445 L446 P448 V453 E489 Y492W439-F443 PolarHBondContact O-N 3.33Å; R440-F443 PolarHBondContact O-N 3.46Å; F443-K445 PolarHBondContact O-N 3.07Å; F443-L446 WeakPolarHBondContact O-CB 3.37Å; F443-L446 PolarHBondContact O-N 3.12Å; F443-P448 HydrophobicContact CD1-CG 4.27Å; F443-P448 HydrophobicContact CE1-CB 3.82Å; F443-P448 HydrophobicContact CE1-CG 3.8Å; F443-P448 HydrophobicContact CZ-CB 3.94Å; F443-P448 HydrophobicContact CZ-CG 4.41Å; F443-V453 HydrophobicContact CD2-CG2 4.13Å; F443-V453 HydrophobicContact CE2-CB 4.22Å; F443-V453 HydrophobicContact CE2-CG2 3.47Å; F443-V453 VanDerWaalsContact CE2-CG2 3.47Å; F443-V453 HydrophobicContact CZ-CG2 3.79Å; F443-E489 HydrophobicContact CB-CG 4.34Å; F443-E489 HydrophobicContact CD1-CB 3.63Å; F443-E489 HydrophobicContact CD1-CG 3.62Å; F443-E489 HydrophobicContact CE1-CB 3.59Å; F443-E489 HydrophobicContact CE1-CG 4.13Å; F443-E489 HydrophobicContact CG-CB 4.27Å; F443-E489 HydrophobicContact CG-CG 4.07Å; F443-E489 HydrophobicContact CZ-CB 4.19Å; F443-Y492 HydrophobicContact CB-CD1 3.8Å; F443-Y492 HydrophobicContact CB-CE1 4.13Å; F443-Y492 HydrophobicContact CB-CG 4.28Å; F443-Y492 VanDerWaalsContact CD2-CB 3.5Å; F443-Y492 AromaticContact CD2-CD1 3.95Å; F443-Y492 HydrophobicContact CD2-CD1 3.95Å; F443-Y492 AromaticContact CD2-CD2 3.94Å; F443-Y492 HydrophobicContact CD2-CD2 3.94Å; F443-Y492 AromaticContact CD2-CG 3.52Å; F443-Y492 HydrophobicContact CD2-CG 3.52Å; F443-Y492 HydrophobicContact CE2-CG 4.31Å; F443-Y492 HydrophobicContact CG-CD1 4.32Å; F443-Y492 HydrophobicContact CG-CG 4.32Å
444Q84.5Confident82.4Confident123 Ų12381.8 Ų81.858%0.57540%0.404SS*.Hα-helixtrans-60.8-30.1176-69.8175.810.200113.5R440 E442 L446 K447R440-Q444 WeakPolarHBondContact O-CG 3.32Å; R440-Q444 PolarHBondContact O-N 3.37Å; E442-Q444 VanDerWaalsContact C-N 3.32Å; E442-Q444 PolarHBondContact O-N 3.4Å; Q444-L446 VanDerWaalsContact C-N 3.29Å; Q444-L446 PolarHBondContact O-N 2.88Å; Q444-K447 PolarHBondContact O-N 3.04Å
445K86.2Confident82.3Confident166 Ų16684.4 Ų84.472%0.72242%0.421SS*.Hα-helixtrans-70.5-24.7176.5-70.6172.6-176.1176.70113K441 E442 F443 K447K441-K445 WeakPolarHBondContact O-CG 3.48Å; K441-K445 PolarHBondContact O-N 3.18Å; E442-K445 WeakPolarHBondContact O-CB 3.42Å; E442-K445 PolarHBondContact O-N 3.37Å; F443-K445 PolarHBondContact O-N 3.07Å; K445-K447 PolarHBondContact O-N 3.39Å
446L83Confident82.2Confident50 Ų5085.8 Ų85.826%0.26243%0.428SS..THydrogen-bonded Turntrans-69.2-8.6174.3-62175.5000112.3E442 F443 Q444 V453 Q457 Y492E442-L446 PolarHBondContact O-N 3.34Å; F443-L446 WeakPolarHBondContact O-CB 3.37Å; F443-L446 PolarHBondContact O-N 3.12Å; Q444-L446 VanDerWaalsContact C-N 3.29Å; Q444-L446 PolarHBondContact O-N 2.88Å; L446-V453 HydrophobicContact CB-CG1 4.44Å; L446-V453 HydrophobicContact CB-CG2 4.1Å; L446-V453 HydrophobicContact CD1-CG1 4.41Å; L446-V453 HydrophobicContact CD1-CG2 4.48Å; L446-Q457 PolarHBondContact O-OE1 3.27Å; L446-Y492 HydrophobicContact CD1-CD2 4.33Å; L446-Y492 HydrophobicContact CD1-CE2 3.69Å
447K80.1Confident81.9Confident179 Ų17981.9 Ų81.978%0.77841%0.412SS*.  trans55.868.2-177.4-60.4-179.9179.6178.30111Q444 K445 L449Q444-K447 PolarHBondContact O-N 3.04Å; K445-K447 PolarHBondContact O-N 3.39Å; K447-L449 PolarHBondContact O-N 3.3Å
448P78.8Confident81.8Confident43 Ų4378.1 Ų78.128%0.27940%0.395SS..  trans-58.4136.3179.324.8-33.9000111.1F443 R452 V453F443-P448 HydrophobicContact CD1-CG 4.27Å; F443-P448 HydrophobicContact CE1-CB 3.82Å; F443-P448 HydrophobicContact CE1-CG 3.8Å; F443-P448 HydrophobicContact CZ-CB 3.94Å; F443-P448 HydrophobicContact CZ-CG 4.41Å; P448-R452 CarbonylContact C-O 3.59Å; P448-R452 VanDerWaalsContact CA-O 3.27Å; P448-R452 WeakPolarHBondContact CA-O 3.48Å; P448-R452 WeakPolarHBondContact CB-O 3.38Å; P448-V453 HydrophobicContact CB-CG2 3.84Å
449L75.4Confident81.5Confident147 Ų14779.7 Ų79.777%0.7740%0.4SS*.BIsolated β-bridgetrans-93.3122.6173.7-162.275.7000107.4K447 G451 R452K447-L449 PolarHBondContact O-N 3.3Å; L449-G451 PolarHBondContact O-N 3.49Å; L449-G451 VanDerWaalsContact O-N 3.14Å; L449-R452 PolarHBondContact N-O 3.46Å; L449-R452 PolarHBondContact O-N 3Å; L449-R452 VanDerWaalsContact O-O 3.08Å
450D75.5Confident81.2Confident167 Ų16782.1 Ų82.189%0.89342%0.423SS*.THydrogen-bonded Turntrans50.734.1-172.3-65.6-21.2000114.4R452D450-R452 VanDerWaalsContact C-N 3.28Å; D450-R452 PolarHBondContact O-N 2.81Å
451G79Confident81Confident42 Ų4281.7 Ų81.743%0.43342%0.424SS..THydrogen-bonded Turntrans79.34.7178.800000115L449L449-G451 PolarHBondContact O-N 3.49Å; L449-G451 VanDerWaalsContact O-N 3.14Å
452R83.2Confident80.7Confident68 Ų6874.6 Ų74.626%0.25739%0.393SS..EExtended strand (participates in β ladder)trans-123.6158.4176.4-60.2-166.2-177.8-115.718.4112.5P448 L449 D450 D482 D484 L486 I487 N488 E491P448-R452 CarbonylContact C-O 3.59Å; P448-R452 VanDerWaalsContact CA-O 3.27Å; P448-R452 WeakPolarHBondContact CA-O 3.48Å; P448-R452 WeakPolarHBondContact CB-O 3.38Å; L449-R452 PolarHBondContact N-O 3.46Å; L449-R452 PolarHBondContact O-N 3Å; L449-R452 VanDerWaalsContact O-O 3.08Å; D450-R452 VanDerWaalsContact C-N 3.28Å; D450-R452 PolarHBondContact O-N 2.81Å; R452-D482 IonicContact CZ-OD2 3.75Å; R452-D482 IonicContact NH1-OD1 3.57Å; R452-D482 IonicContact NH1-OD2 3.57Å; R452-D482 PolarHBondContact NH1-OD2 3.25Å; R452-D482 IonicContact NH2-OD2 2.67Å; R452-D482 PolarHBondContact NH2-OD2 3.28Å; R452-D484 IonicContact CZ-OD2 3.01Å; R452-D484 IonicContact NE-OD2 3.75Å; R452-D484 PolarHBondContact NE-OD2 2.84Å; R452-D484 IonicContact NH1-OD1 2.75Å; R452-D484 IonicContact NH1-OD2 2.72Å; R452-D484 PolarHBondContact NH1-OD2 3.23Å; R452-D484 IonicContact NH2-OD2 3.29Å; R452-D484 PolarHBondContact NH2-OD2 3.4Å; R452-D484 VanDerWaalsContact NH2-OD2 3.14Å; R452-L486 HydrophobicContact CB-CB 4.12Å; R452-L486 HydrophobicContact CG-CB 4.49Å; R452-L486 PolarHBondContact NH1-O 2.91Å; R452-I487 CarbonylContact C-O 3.54Å; R452-I487 VanDerWaalsContact CA-O 3.31Å; R452-I487 WeakPolarHBondContact CA-O 3.5Å; R452-N488 HydrophobicContact CG-CB 4.27Å; R452-E491 IonicContact NH1-OE2 3.34Å
453V83.9Confident80.4Confident3 Ų376.4 Ų76.42%0.01840%0.402CS..EExtended strand (participates in β ladder)trans-121.5138.2177.7-177.70000109.1F443 L446 P448 Q457 V458 I487F443-V453 HydrophobicContact CD2-CG2 4.13Å; F443-V453 HydrophobicContact CE2-CB 4.22Å; F443-V453 HydrophobicContact CE2-CG2 3.47Å; F443-V453 VanDerWaalsContact CE2-CG2 3.47Å; F443-V453 HydrophobicContact CZ-CG2 3.79Å; L446-V453 HydrophobicContact CB-CG1 4.44Å; L446-V453 HydrophobicContact CB-CG2 4.1Å; L446-V453 HydrophobicContact CD1-CG1 4.41Å; L446-V453 HydrophobicContact CD1-CG2 4.48Å; P448-V453 HydrophobicContact CB-CG2 3.84Å; V453-Q457 HydrophobicContact CG1-CB 3.68Å; V453-Q457 HydrophobicContact CG1-CG 4.14Å; V453-V458 HydrophobicContact CB-CG2 4.46Å; V453-V458 HydrophobicContact CG1-CG2 4.11Å; V453-I487 PolarHBondContact N-O 2.72Å; V453-I487 PolarHBondContact O-N 2.96Å
454G79.5Confident80Confident26 Ų2679.5 Ų79.527%0.26844%0.435SS..  trans-73.1162.4177.600000113.5E456 Q457G454-E456 PolarHBondContact O-N 3.42Å; G454-Q457 PolarHBondContact O-N 3.32Å
455P79.4Confident79.5Confident55 Ų5575.4 Ų75.436%0.35742%0.42SS..Hα-helixtrans-61.8-39-171.222.1-32000114.6Q457 V458 T459 W476P455-Q457 PolarHBondContact O-N 2.88Å; P455-Q457 VanDerWaalsContact O-N 3.07Å; P455-V458 PolarHBondContact O-N 2.84Å; P455-T459 WeakPolarHBondContact O-CB 3.47Å; P455-T459 PolarHBondContact O-N 3.18Å; P455-T459 PolarHBondContact O-OG1 2.86Å; P455-W476 VanDerWaalsContact CA-CH2 3.44Å; P455-W476 HydrophobicContact CB-CH2 3.56Å; P455-W476 HydrophobicContact CB-CZ2 3.89Å; P455-W476 HydrophobicContact CB-CZ3 4.25Å
456E76.7Confident78.8Confident171 Ų17170.6 Ų70.680%0.79942%0.417SS*.Hα-helixtrans-53-38.1-178-60.4-177.1175.400113.7G454 A460G454-E456 PolarHBondContact O-N 3.42Å; E456-A460 WeakPolarHBondContact O-CB 3.27Å; E456-A460 PolarHBondContact O-N 2.94Å
457Q78.7Confident78.3Confident91 Ų9169.6 Ų69.643%0.42541%0.412SS..Hα-helixtrans-76.3-35.9-177.2-60.8-177.320.700112.3L446 V453 G454 P455L446-Q457 PolarHBondContact O-OE1 3.27Å; V453-Q457 HydrophobicContact CG1-CB 3.68Å; V453-Q457 HydrophobicContact CG1-CG 4.14Å; G454-Q457 PolarHBondContact O-N 3.32Å; P455-Q457 PolarHBondContact O-N 2.88Å; P455-Q457 VanDerWaalsContact O-N 3.07Å
458V83Confident77.6Confident0 Ų062 Ų620%038%0.382CS..Hα-helixtrans-82.3-38.4-178.8-177.50000110.7V453 P455 A460 M461 M462 W476 I487 Y492 I495V453-V458 HydrophobicContact CB-CG2 4.46Å; V453-V458 HydrophobicContact CG1-CG2 4.11Å; P455-V458 PolarHBondContact O-N 2.84Å; V458-A460 VanDerWaalsContact C-N 3.32Å; V458-A460 PolarHBondContact O-N 2.89Å; V458-M461 HydrophobicContact CG1-CE 3.93Å; V458-M461 WeakPolarHBondContact O-CA 3.41Å; V458-M461 WeakPolarHBondContact O-CB 3.34Å; V458-M461 PolarHBondContact O-N 3.25Å; V458-M462 HydrophobicContact CG1-CG 4.21Å; V458-M462 HydrophobicContact CG1-SD 4.05Å; V458-M462 WeakPolarHBondContact O-CG 3.34Å; V458-M462 PolarHBondContact O-N 2.93Å; V458-W476 HydrophobicContact CB-CH2 4.25Å; V458-W476 HydrophobicContact CB-CZ3 3.82Å; V458-W476 HydrophobicContact CG1-CZ3 3.97Å; V458-I487 HydrophobicContact CB-CD1 3.72Å; V458-I487 HydrophobicContact CG1-CD1 3.55Å; V458-I487 HydrophobicContact CG2-CB 4.43Å; V458-I487 HydrophobicContact CG2-CD1 3.73Å; V458-Y492 HydrophobicContact CG2-CD2 4.19Å; V458-Y492 HydrophobicContact CG2-CE2 4.4Å; V458-I495 HydrophobicContact CG1-CD1 4.28Å; V458-I495 HydrophobicContact CG1-CG2 4.46Å
459T78.5Confident77.1Confident53 Ų5367.3 Ų67.333%0.32540%0.396SS..Hα-helixtrans-59.5-42.2175.2-49.30000111.4P455 M461 M462 E463P455-T459 WeakPolarHBondContact O-CB 3.47Å; P455-T459 PolarHBondContact O-N 3.18Å; P455-T459 PolarHBondContact O-OG1 2.86Å; T459-M461 PolarHBondContact O-N 3.42Å; T459-M462 WeakPolarHBondContact O-CB 3.22Å; T459-M462 PolarHBondContact O-N 3.37Å; T459-M462 VanDerWaalsContact O-N 3.12Å; T459-E463 HydrophobicContact CG2-CG 4.38Å; T459-E463 WeakPolarHBondContact O-CG 3.36Å; T459-E463 PolarHBondContact O-N 2.92Å
460A79.6Confident76.6Confident65 Ų6563.3 Ų63.354%0.53738%0.379SS..Hα-helixtrans-59.9-34.3175.100000113E456 V458E456-A460 WeakPolarHBondContact O-CB 3.27Å; E456-A460 PolarHBondContact O-N 2.94Å; V458-A460 VanDerWaalsContact C-N 3.32Å; V458-A460 PolarHBondContact O-N 2.89Å
461M80.9Confident76.1Confident43 Ų4356.8 Ų56.821%0.21234%0.343CS..Hα-helixtrans-73.2-41.5174.9179.9-78.3-61.100111.6V458 T459 G464 Y492 I495 K496 L499V458-M461 HydrophobicContact CG1-CE 3.93Å; V458-M461 WeakPolarHBondContact O-CA 3.41Å; V458-M461 WeakPolarHBondContact O-CB 3.34Å; V458-M461 PolarHBondContact O-N 3.25Å; T459-M461 PolarHBondContact O-N 3.42Å; M461-G464 PolarHBondContact O-N 2.77Å; M461-Y492 HydrophobicContact CE-CE2 4.02Å; M461-I495 HydrophobicContact CE-CG2 4.16Å; M461-K496 HydrophobicContact CE-CD 4.04Å; M461-K496 HydrophobicContact CE-CG 4.46Å; M461-K496 HydrophobicContact SD-CD 3.83Å; M461-K496 WeakPolarHBondContact SD-CE 3.4Å; M461-K496 PolarHBondContact SD-NZ 3.22Å; M461-L499 HydrophobicContact CE-CD1 3.84Å; M461-L499 HydrophobicContact SD-CD1 3.76Å
462M79.4Confident76.1Confident3 Ų355.2 Ų55.22%0.01533%0.325CS..Hα-helixtrans-63-43.9177.9-73.8-179.684.700112V458 T459 G464 S465 L472 I475 W476 I495 L499V458-M462 HydrophobicContact CG1-CG 4.21Å; V458-M462 HydrophobicContact CG1-SD 4.05Å; V458-M462 WeakPolarHBondContact O-CG 3.34Å; V458-M462 PolarHBondContact O-N 2.93Å; T459-M462 WeakPolarHBondContact O-CB 3.22Å; T459-M462 PolarHBondContact O-N 3.37Å; T459-M462 VanDerWaalsContact O-N 3.12Å; M462-G464 PolarHBondContact O-N 3.24Å; M462-S465 VanDerWaalsContact O-CB 3.3Å; M462-S465 WeakPolarHBondContact O-CB 3.26Å; M462-S465 PolarHBondContact O-N 3.2Å; M462-S465 PolarHBondContact O-OG 3.07Å; M462-L472 HydrophobicContact CB-CD1 4.05Å; M462-L472 HydrophobicContact CB-CD2 3.9Å; M462-L472 HydrophobicContact CB-CG 4.4Å; M462-L472 HydrophobicContact CE-CB 3.99Å; M462-L472 HydrophobicContact CE-CD2 4.08Å; M462-L472 WeakPolarHBondContact CE-O 2.72Å; M462-I475 HydrophobicContact CE-CB 3.85Å; M462-I475 HydrophobicContact CE-CG2 3.76Å; M462-W476 HydrophobicContact SD-CE3 3.82Å; M462-W476 HydrophobicContact SD-CZ3 4.35Å; M462-I495 HydrophobicContact CE-CG2 4.05Å; M462-I495 HydrophobicContact CG-CG2 4.09Å; M462-I495 HydrophobicContact SD-CG2 3.97Å; M462-L499 HydrophobicContact CE-CD2 4.43Å; M462-L499 HydrophobicContact CG-CD1 4.02Å; M462-L499 HydrophobicContact CG-CD2 4.45Å
463E78.4Confident75.6Confident105 Ų10557.3 Ų57.349%0.49134%0.341SS..Hα-helixtrans-60.6-30.6177.2-72.8-176.6150.200112.4T459 S465 G466 L472T459-E463 HydrophobicContact CG2-CG 4.38Å; T459-E463 WeakPolarHBondContact O-CG 3.36Å; T459-E463 PolarHBondContact O-N 2.92Å; E463-S465 PolarHBondContact O-N 2.94Å; E463-G466 PolarHBondContact O-N 2.77Å; E463-L472 HydrophobicContact CG-CD1 4.18Å
464G75.7Confident75.1Confident70 Ų7058.7 Ų58.772%0.72235%0.348SS*.THydrogen-bonded Turntrans-67.1-12.317500000115.1M461 M462 G466M461-G464 PolarHBondContact O-N 2.77Å; M462-G464 PolarHBondContact O-N 3.24Å; G464-G466 VanDerWaalsContact C-N 3.32Å
465S73.8Confident75.3Confident36 Ų3657.4 Ų57.425%0.25234%0.335SS..THydrogen-bonded Turntrans-77.1-15.4178.768.70000114.1M462 E463 L467M462-S465 VanDerWaalsContact O-CB 3.3Å; M462-S465 WeakPolarHBondContact O-CB 3.26Å; M462-S465 PolarHBondContact O-N 3.2Å; M462-S465 PolarHBondContact O-OG 3.07Å; E463-S465 PolarHBondContact O-N 2.94Å; S465-L467 VanDerWaalsContact C-N 3.28Å; S465-L467 PolarHBondContact O-N 3.49Å; S465-L467 WeakPolarHBondContact OG-CG 3.45Å; S465-L467 PolarHBondContact OG-N 3.32Å
466G72.4Confident75.3Confident65 Ų6556.3 Ų56.367%0.6732%0.323SS*.  trans786.1-176.900000114.9E463 G464E463-G466 PolarHBondContact O-N 2.77Å; G464-G466 VanDerWaalsContact C-N 3.32Å
467L72Confident75.3Confident30 Ų3057.4 Ų57.416%0.15732%0.32CS..  trans-77.1159.7175-59.4174.7000111.8S465 M471 L472 I475 L499 T502 V503S465-L467 VanDerWaalsContact C-N 3.28Å; S465-L467 PolarHBondContact O-N 3.49Å; S465-L467 WeakPolarHBondContact OG-CG 3.45Å; S465-L467 PolarHBondContact OG-N 3.32Å; L467-M471 HydrophobicContact CD2-CE 3.85Å; L467-L472 HydrophobicContact CB-CD2 3.85Å; L467-L472 HydrophobicContact CB-CG 4.4Å; L467-L472 HydrophobicContact CD1-CD2 4.21Å; L467-I475 HydrophobicContact CD1-CD1 4.11Å; L467-L499 HydrophobicContact CD1-CD2 3.69Å; L467-T502 WeakPolarHBondContact CD1-OG1 3.14Å; L467-V503 HydrophobicContact CD1-CG2 4.3Å; L467-V503 HydrophobicContact CD2-CG2 4.11Å; L467-V503 HydrophobicContact CG-CG2 4.18Å
468S65.4Low75.3Confident20 Ų2053.9 Ų53.914%0.1430%0.304CS..  trans-72.5149.2178.8730000112M471 L472S468-M471 WeakPolarHBondContact O-CB 3.26Å; S468-M471 PolarHBondContact O-N 2.98Å; S468-M471 VanDerWaalsContact OG-CG 3.26Å; S468-M471 WeakPolarHBondContact OG-CG 3.46Å; S468-M471 PolarHBondContact OG-SD 3.44Å; S468-M471 VanDerWaalsContact OG-SD 3.34Å; S468-L472 WeakPolarHBondContact O-CG 2.88Å; S468-L472 PolarHBondContact O-N 2.92Å
469R67.9Low75.3Confident153 Ų15353.9 Ų53.958%0.57730%0.304SS*.Hα-helixtrans-51.6-45177.3-73.9179.8176.8172.4-1.2113.8M471 L472 D473R469-M471 VanDerWaalsContact C-N 3.27Å; R469-M471 PolarHBondContact O-N 3.48Å; R469-L472 WeakPolarHBondContact O-CB 3.39Å; R469-L472 PolarHBondContact O-N 3.45Å; R469-L472 VanDerWaalsContact O-N 3.07Å; R469-D473 VanDerWaalsContact O-CG 3.3Å; R469-D473 PolarHBondContact O-N 2.92Å
470P65.6Low75.2Confident63 Ų6352.1 Ų52.141%0.40929%0.293SS..Hα-helixtrans-59.4-35.9176.3-24.834.6000113.8Q474P470-Q474 PolarHBondContact O-N 3.35Å
471M65.8Low74.6Confident30 Ų3051.4 Ų51.415%0.14828%0.28CS..Hα-helixtrans-70.1-39.8175.7-67.4167.374.700111.3L418 L467 S468 R469 Q474 I475 T502L418-M471 HydrophobicContact CD1-CG 4.29Å; L418-M471 HydrophobicContact CD2-CG 4.15Å; L418-M471 HydrophobicContact CG-CG 4.42Å; L467-M471 HydrophobicContact CD2-CE 3.85Å; S468-M471 WeakPolarHBondContact O-CB 3.26Å; S468-M471 PolarHBondContact O-N 2.98Å; S468-M471 VanDerWaalsContact OG-CG 3.26Å; S468-M471 WeakPolarHBondContact OG-CG 3.46Å; S468-M471 PolarHBondContact OG-SD 3.44Å; S468-M471 VanDerWaalsContact OG-SD 3.34Å; R469-M471 VanDerWaalsContact C-N 3.27Å; R469-M471 PolarHBondContact O-N 3.48Å; M471-Q474 PolarHBondContact O-N 2.96Å; M471-I475 VanDerWaalsContact O-CG1 3.26Å; M471-I475 WeakPolarHBondContact O-CG1 3.23Å; M471-I475 PolarHBondContact O-N 3.31Å; M471-T502 HydrophobicContact CE-CG2 4.48Å
472L78.1Confident74.1Confident10 Ų1053 Ų535%0.05229%0.289CS..Hα-helixtrans-62.7-44.6175.8-62-176.4000111M462 E463 L467 S468 R469 Q474 I475 W476 L499M462-L472 HydrophobicContact CB-CD1 4.05Å; M462-L472 HydrophobicContact CB-CD2 3.9Å; M462-L472 HydrophobicContact CB-CG 4.4Å; M462-L472 HydrophobicContact CE-CB 3.99Å; M462-L472 HydrophobicContact CE-CD2 4.08Å; M462-L472 WeakPolarHBondContact CE-O 2.72Å; E463-L472 HydrophobicContact CG-CD1 4.18Å; L467-L472 HydrophobicContact CB-CD2 3.85Å; L467-L472 HydrophobicContact CB-CG 4.4Å; L467-L472 HydrophobicContact CD1-CD2 4.21Å; S468-L472 WeakPolarHBondContact O-CG 2.88Å; S468-L472 PolarHBondContact O-N 2.92Å; R469-L472 WeakPolarHBondContact O-CB 3.39Å; R469-L472 PolarHBondContact O-N 3.45Å; R469-L472 VanDerWaalsContact O-N 3.07Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 3.24Å; L472-I475 PolarHBondContact O-N 2.81Å; L472-W476 WeakPolarHBondContact O-CB 3.09Å; L472-W476 PolarHBondContact O-N 3.27Å; L472-L499 HydrophobicContact CD2-CD2 3.7Å
473D73.6Confident73.6Confident111 Ų11155.4 Ų55.459%0.59432%0.315SS*.Hα-helixtrans-62.8-38177.2-65.2-20.6000111.8R469 W476 R477R469-D473 VanDerWaalsContact O-CG 3.3Å; R469-D473 PolarHBondContact O-N 2.92Å; D473-W476 WeakPolarHBondContact O-CB 3.48Å; D473-W476 PolarHBondContact O-N 3.21Å; D473-R477 VanDerWaalsContact O-CB 3.32Å; D473-R477 WeakPolarHBondContact O-CB 3.32Å; D473-R477 PolarHBondContact O-N 2.94Å
474Q73.1Confident73.4Confident32 Ų3253.1 Ų53.115%0.1531%0.306CS..Hα-helixtrans-68.1-44.2174.7-179.1167.2-9.900112L418 P470 M471 L472 W476 R477 L478 I508 P509L418-Q474 VanDerWaalsContact CD1-OE1 3.22Å; L418-Q474 HydrophobicContact CD2-CG 4.44Å; P470-Q474 PolarHBondContact O-N 3.35Å; M471-Q474 PolarHBondContact O-N 2.96Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 3.24Å; Q474-W476 VanDerWaalsContact C-N 3.26Å; Q474-W476 PolarHBondContact O-N 3.36Å; Q474-R477 PolarHBondContact O-N 3.43Å; Q474-L478 HydrophobicContact CG-CD1 3.8Å; Q474-L478 HydrophobicContact CG-CG 4.25Å; Q474-L478 WeakPolarHBondContact O-CB 3.43Å; Q474-L478 WeakPolarHBondContact O-CG 3.42Å; Q474-L478 PolarHBondContact O-N 2.88Å; Q474-I508 HydrophobicContact CG-CG2 4.33Å; Q474-P509 PolarHBondContact NE2-O 3.07Å; Q474-P509 VanDerWaalsContact NE2-O 3.07Å
475I82.2Confident73.4Confident0 Ų054.8 Ų54.80%030%0.298CS..Hα-helixtrans-58.8-43.7175.7-69.4169.4000110.3M462 L467 M471 L472 L478 A479 I495 L498 L499 T502 I508M462-I475 HydrophobicContact CE-CB 3.85Å; M462-I475 HydrophobicContact CE-CG2 3.76Å; L467-I475 HydrophobicContact CD1-CD1 4.11Å; M471-I475 VanDerWaalsContact O-CG1 3.26Å; M471-I475 WeakPolarHBondContact O-CG1 3.23Å; M471-I475 PolarHBondContact O-N 3.31Å; L472-I475 PolarHBondContact O-N 2.81Å; I475-L478 PolarHBondContact O-N 3.29Å; I475-A479 WeakPolarHBondContact O-CB 3.4Å; I475-A479 PolarHBondContact O-N 2.89Å; I475-A479 VanDerWaalsContact O-N 3.1Å; I475-I495 HydrophobicContact CG2-CB 4.29Å; I475-I495 HydrophobicContact CG2-CG1 4.22Å; I475-I495 HydrophobicContact CG2-CG2 4.02Å; I475-L498 HydrophobicContact CD1-CB 4.47Å; I475-L498 HydrophobicContact CG1-CB 4.17Å; I475-L498 HydrophobicContact CG2-CB 3.87Å; I475-L498 HydrophobicContact CG2-CD1 4.15Å; I475-L499 HydrophobicContact CD1-CD2 3.71Å; I475-L499 HydrophobicContact CD1-CG 4.24Å; I475-T502 HydrophobicContact CD1-CG2 4.41Å; I475-I508 HydrophobicContact CD1-CD1 3.87Å; I475-I508 HydrophobicContact CG1-CD1 3.57Å
476W80.6Confident73.6Confident31 Ų3156.5 Ų56.512%0.11730%0.304CS..Hα-helixtrans-56.7-56.6175.4-173.6-71.6000110.6P455 V458 M462 L472 D473 Q474 L478 A479 D480 I487P455-W476 VanDerWaalsContact CA-CH2 3.44Å; P455-W476 HydrophobicContact CB-CH2 3.56Å; P455-W476 HydrophobicContact CB-CZ2 3.89Å; P455-W476 HydrophobicContact CB-CZ3 4.25Å; V458-W476 HydrophobicContact CB-CH2 4.25Å; V458-W476 HydrophobicContact CB-CZ3 3.82Å; V458-W476 HydrophobicContact CG1-CZ3 3.97Å; M462-W476 HydrophobicContact SD-CE3 3.82Å; M462-W476 HydrophobicContact SD-CZ3 4.35Å; L472-W476 WeakPolarHBondContact O-CB 3.09Å; L472-W476 PolarHBondContact O-N 3.27Å; D473-W476 WeakPolarHBondContact O-CB 3.48Å; D473-W476 PolarHBondContact O-N 3.21Å; Q474-W476 VanDerWaalsContact C-N 3.26Å; Q474-W476 PolarHBondContact O-N 3.36Å; W476-L478 VanDerWaalsContact C-N 3.25Å; W476-L478 PolarHBondContact O-N 3.23Å; W476-A479 PolarHBondContact O-N 2.92Å; W476-D480 PolarHBondContact NE1-OD2 3.02Å; W476-D480 WeakPolarHBondContact O-CB 3.27Å; W476-D480 PolarHBondContact O-N 3.43Å; W476-I487 HydrophobicContact CD2-CD1 4.26Å; W476-I487 HydrophobicContact CE3-CD1 3.89Å; W476-I487 HydrophobicContact CH2-CD1 3.01Å; W476-I487 HydrophobicContact CH2-CG1 3.66Å; W476-I487 HydrophobicContact CZ2-CD1 3.54Å; W476-I487 HydrophobicContact CZ2-CG1 3.73Å; W476-I487 HydrophobicContact CZ3-CD1 3.28Å; W476-I487 HydrophobicContact CZ3-CG1 4.36Å
477R76.4Confident74.1Confident195 Ų19553.4 Ų53.474%0.73627%0.273SS*.Hα-helixtrans-59.6-32.6-178.5-178.6177.8173.5174.1-2.3113.7D473 Q474D473-R477 VanDerWaalsContact O-CB 3.32Å; D473-R477 WeakPolarHBondContact O-CB 3.32Å; D473-R477 PolarHBondContact O-N 2.94Å; Q474-R477 PolarHBondContact O-N 3.43Å
478L79.8Confident74.6Confident17 Ų1753.8 Ų53.89%0.08928%0.275CS..Hα-helixtrans-74.9-32177.5-71.8167.4000112.3Q474 I475 W476 L498 I508 P509 D510 L512Q474-L478 HydrophobicContact CG-CD1 3.8Å; Q474-L478 HydrophobicContact CG-CG 4.25Å; Q474-L478 WeakPolarHBondContact O-CB 3.43Å; Q474-L478 WeakPolarHBondContact O-CG 3.42Å; Q474-L478 PolarHBondContact O-N 2.88Å; I475-L478 PolarHBondContact O-N 3.29Å; W476-L478 VanDerWaalsContact C-N 3.25Å; W476-L478 PolarHBondContact O-N 3.23Å; L478-L498 HydrophobicContact CB-CD1 4.22Å; L478-I508 HydrophobicContact CD1-CG2 3.18Å; L478-P509 VanDerWaalsContact CD1-O 3.23Å; L478-P509 WeakPolarHBondContact CD1-O 3.48Å; L478-D510 WeakPolarHBondContact CD2-O 3.26Å; L478-L512 HydrophobicContact CB-CD1 4.16Å; L478-L512 HydrophobicContact CB-CG 4.17Å; L478-L512 HydrophobicContact CD2-CG 4.15Å; L478-L512 VanDerWaalsContact O-CD1 3.29Å; L478-L512 WeakPolarHBondContact O-CD1 3.32Å
479A81.7Confident75.5Confident0 Ų055.6 Ų55.60%028%0.281CS..Hα-helixtrans-80.4-44.4178.600000112.1I475 W476 D481 E491 L494 I495I475-A479 WeakPolarHBondContact O-CB 3.4Å; I475-A479 PolarHBondContact O-N 2.89Å; I475-A479 VanDerWaalsContact O-N 3.1Å; W476-A479 PolarHBondContact O-N 2.92Å; A479-D481 VanDerWaalsContact C-N 3.27Å; A479-D481 PolarHBondContact O-N 3.42Å; A479-E491 WeakPolarHBondContact O-CG 3.46Å; A479-L494 HydrophobicContact CB-CB 4.36Å; A479-L494 HydrophobicContact CB-CD2 4.12Å; A479-L494 HydrophobicContact CB-CG 4.29Å; A479-I495 HydrophobicContact CB-CD1 3.87Å; A479-I495 HydrophobicContact CB-CG1 3.34Å
480D76Confident76.2Confident16 Ų1650.5 Ų50.59%0.08627%0.265CS..  trans-73.674.5179.3-170.9-1.7000111.1W476 D482 G483 D484 D485W476-D480 PolarHBondContact NE1-OD2 3.02Å; W476-D480 WeakPolarHBondContact O-CB 3.27Å; W476-D480 PolarHBondContact O-N 3.43Å; D480-D482 VanDerWaalsContact OD1-OD1 3.13Å; D480-G483 WeakPolarHBondContact OD1-CA 3.34Å; D480-G483 PolarHBondContact OD1-N 3.08Å; D480-D484 PolarHBondContact OD1-N 3.1Å; D480-D485 WeakPolarHBondContact OD2-CA 3.43Å; D480-D485 PolarHBondContact OD2-N 2.9Å
481D68.7Low77.2Confident49 Ų4948 Ų4826%0.26225%0.248SC..SBendtrans-74.7-25.2-177.9-176.365.5000113.1A479 K517 R520A479-D481 VanDerWaalsContact C-N 3.27Å; A479-D481 PolarHBondContact O-N 3.42Å; D481-K517 WeakPolarHBondContact OD1-CE 3.43Å; D481-K517 IonicContact OD1-NZ 2.63Å; D481-K517 PolarHBondContact OD1-NZ 2.84Å; D481-R520 IonicContact OD1-NH2 3.16Å; D481-R520 IonicContact OD2-CZ 3.76Å; D481-R520 VanDerWaalsContact OD2-CZ 3.29Å; D481-R520 IonicContact OD2-NE 2.82Å; D481-R520 PolarHBondContact OD2-NE 3.23Å; D481-R520 IonicContact OD2-NH2 3.51Å; D481-R520 PolarHBondContact OD2-NH2 2.96Å
482D69.1Low78.2Confident76 Ų7646.9 Ų46.941%0.40624%0.242SC..SBendtrans-88.7-15.817660.2-2.7000113.1R452 D480 D484R452-D482 IonicContact CZ-OD2 3.75Å; R452-D482 IonicContact NH1-OD1 3.57Å; R452-D482 IonicContact NH1-OD2 3.57Å; R452-D482 PolarHBondContact NH1-OD2 3.25Å; R452-D482 IonicContact NH2-OD2 2.67Å; R452-D482 PolarHBondContact NH2-OD2 3.28Å; D480-D482 VanDerWaalsContact OD1-OD1 3.13Å; D482-D484 VanDerWaalsContact C-N 3.3Å; D482-D484 PolarHBondContact O-N 2.86Å
483G69.9Low78.6Confident54 Ų5446.4 Ų46.456%0.55724%0.24SC*.  trans68.131.4173.100000112.2D480D480-G483 WeakPolarHBondContact OD1-CA 3.34Å; D480-G483 PolarHBondContact OD1-N 3.08Å
484D74.2Confident79.1Confident57 Ų5741.1 Ų41.131%0.30521%0.211SC..SBendtrans-93.91.5-178.477.2-5000113.3R452 D480 D482 L486R452-D484 IonicContact CZ-OD2 3.01Å; R452-D484 IonicContact NE-OD2 3.75Å; R452-D484 PolarHBondContact NE-OD2 2.84Å; R452-D484 IonicContact NH1-OD1 2.75Å; R452-D484 IonicContact NH1-OD2 2.72Å; R452-D484 PolarHBondContact NH1-OD2 3.23Å; R452-D484 IonicContact NH2-OD2 3.29Å; R452-D484 PolarHBondContact NH2-OD2 3.4Å; R452-D484 VanDerWaalsContact NH2-OD2 3.14Å; D480-D484 PolarHBondContact OD1-N 3.1Å; D482-D484 VanDerWaalsContact C-N 3.3Å; D482-D484 PolarHBondContact O-N 2.86Å; D484-L486 PolarHBondContact O-N 3.04Å; D484-L486 VanDerWaalsContact O-N 3.14Å; D484-L486 WeakPolarHBondContact OD1-CA 3.09Å; D484-L486 WeakPolarHBondContact OD1-CB 3.38Å; D484-L486 PolarHBondContact OD1-N 2.7Å
485D74.3Confident79.8Confident105 Ų10539.6 Ų39.656%0.56121%0.205SC*.SBendtrans57.815.1-174.4-63.2-48.1000113.3D480D480-D485 WeakPolarHBondContact OD2-CA 3.43Å; D480-D485 PolarHBondContact OD2-N 2.9Å
486L79.6Confident80.1Confident72 Ų7241.3 Ų41.338%0.37721%0.212SC..  trans-124.9114-176.4-66.2174.9000111.6R452 D484 N488R452-L486 HydrophobicContact CB-CB 4.12Å; R452-L486 HydrophobicContact CG-CB 4.49Å; R452-L486 PolarHBondContact NH1-O 2.91Å; D484-L486 PolarHBondContact O-N 3.04Å; D484-L486 VanDerWaalsContact O-N 3.14Å; D484-L486 WeakPolarHBondContact OD1-CA 3.09Å; D484-L486 WeakPolarHBondContact OD1-CB 3.38Å; D484-L486 PolarHBondContact OD1-N 2.7Å; L486-N488 PolarHBondContact O-N 3.48Å
487I82.4Confident80.3Confident1 Ų140.7 Ų40.71%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-82.3122.1-173.3-67.8172.5000111.4R452 V453 V458 W476 E491 Y492 I495R452-I487 CarbonylContact C-O 3.54Å; R452-I487 VanDerWaalsContact CA-O 3.31Å; R452-I487 WeakPolarHBondContact CA-O 3.5Å; V453-I487 PolarHBondContact N-O 2.72Å; V453-I487 PolarHBondContact O-N 2.96Å; V458-I487 HydrophobicContact CB-CD1 3.72Å; V458-I487 HydrophobicContact CG1-CD1 3.55Å; V458-I487 HydrophobicContact CG2-CB 4.43Å; V458-I487 HydrophobicContact CG2-CD1 3.73Å; W476-I487 HydrophobicContact CD2-CD1 4.26Å; W476-I487 HydrophobicContact CE3-CD1 3.89Å; W476-I487 HydrophobicContact CH2-CD1 3.01Å; W476-I487 HydrophobicContact CH2-CG1 3.66Å; W476-I487 HydrophobicContact CZ2-CD1 3.54Å; W476-I487 HydrophobicContact CZ2-CG1 3.73Å; W476-I487 HydrophobicContact CZ3-CD1 3.28Å; W476-I487 HydrophobicContact CZ3-CG1 4.36Å; I487-E491 WeakPolarHBondContact CA-OE2 3.44Å; I487-E491 HydrophobicContact CG2-CB 3.91Å; I487-Y492 HydrophobicContact CG2-CD2 4.47Å; I487-I495 HydrophobicContact CD1-CD1 3.23Å; I487-I495 HydrophobicContact CG1-CD1 3.99Å; I487-I495 HydrophobicContact CG2-CD1 4.27Å
488N82.6Confident80.7Confident37 Ų3731.5 Ų31.520%0.19818%0.176CC..EExtended strand (participates in β ladder)trans-84.1176.1168.169.346000112.6R452 L486 D490 E491 Y492R452-N488 HydrophobicContact CG-CB 4.27Å; L486-N488 PolarHBondContact O-N 3.48Å; N488-D490 VanDerWaalsContact C-N 3.33Å; N488-D490 PolarHBondContact O-N 3.15Å; N488-D490 PolarHBondContact OD1-N 3.35Å; N488-D490 VanDerWaalsContact OD1-N 3.1Å; N488-E491 PolarHBondContact N-OE2 2.96Å; N488-E491 PolarHBondContact ND2-OE1 3.25Å; N488-E491 PolarHBondContact ND2-OE2 3.39Å; N488-E491 VanDerWaalsContact ND2-OE2 3.14Å; N488-E491 PolarHBondContact O-N 3.47Å; N488-E491 WeakPolarHBondContact OD1-CB 3.49Å; N488-E491 VanDerWaalsContact OD1-CG 3.32Å; N488-E491 WeakPolarHBondContact OD1-CG 3.4Å; N488-E491 PolarHBondContact OD1-N 3.01Å; N488-Y492 WeakPolarHBondContact O-CB 3.31Å; N488-Y492 PolarHBondContact O-N 2.94Å
489E83.1Confident80.9Confident58 Ų5831.1 Ų31.127%0.27117%0.174SC..Hα-helixtrans-61-39.3-175.1-170.6-178.9149.500113.2R440 F443 C493R440-E489 VanDerWaalsContact CB-OE1 3.26Å; R440-E489 WeakPolarHBondContact CB-OE1 3.44Å; R440-E489 VanDerWaalsContact CD-OE1 3.3Å; R440-E489 WeakPolarHBondContact CD-OE1 3.5Å; R440-E489 HydrophobicContact CG-CG 4.44Å; R440-E489 WeakPolarHBondContact CG-OE1 3.38Å; R440-E489 IonicContact CZ-OE1 3.04Å; R440-E489 IonicContact NH1-OE1 3.9Å; R440-E489 PolarHBondContact NH1-OE1 3.36Å; F443-E489 HydrophobicContact CB-CG 4.34Å; F443-E489 HydrophobicContact CD1-CB 3.63Å; F443-E489 HydrophobicContact CD1-CG 3.62Å; F443-E489 HydrophobicContact CE1-CB 3.59Å; F443-E489 HydrophobicContact CE1-CG 4.13Å; F443-E489 HydrophobicContact CG-CB 4.27Å; F443-E489 HydrophobicContact CG-CG 4.07Å; F443-E489 HydrophobicContact CZ-CB 4.19Å; E489-C493 PolarHBondContact O-N 2.99Å; E489-C493 VanDerWaalsContact O-N 3.17Å; E489-C493 PolarHBondContact O-SG 3.28Å
490D83.8Confident81Confident46 Ų4634.5 Ų34.525%0.24619%0.188CC..Hα-helixtrans-75.9-41.2-178.1-69.7-32.3000111W427 R440 N488 Y492 C493 L494 P518W427-D490 HydrophobicContact CH2-CB 3.78Å; W427-D490 VanDerWaalsContact CH2-O 3.31Å; W427-D490 WeakPolarHBondContact CH2-O 3.42Å; W427-D490 HydrophobicContact CZ2-CB 3.77Å; R440-D490 IonicContact CZ-OD1 3.81Å; R440-D490 IonicContact NH1-OD1 3.33Å; R440-D490 PolarHBondContact NH1-OD1 3.35Å; R440-D490 IonicContact NH2-OD1 3.6Å; R440-D490 PolarHBondContact NH2-OD1 2.91Å; N488-D490 VanDerWaalsContact C-N 3.33Å; N488-D490 PolarHBondContact O-N 3.15Å; N488-D490 PolarHBondContact OD1-N 3.35Å; N488-D490 VanDerWaalsContact OD1-N 3.1Å; D490-Y492 VanDerWaalsContact C-N 3.28Å; D490-Y492 PolarHBondContact O-N 3.32Å; D490-C493 WeakPolarHBondContact O-CA 3.21Å; D490-C493 WeakPolarHBondContact O-CB 3.43Å; D490-C493 PolarHBondContact O-N 3.5Å; D490-L494 PolarHBondContact O-N 2.97Å; D490-P518 HydrophobicContact CB-CB 3.75Å; D490-P518 HydrophobicContact CB-CG 4.01Å
491E85.6Confident81Confident11 Ų1135.5 Ų35.55%0.05119%0.191CC..Hα-helixtrans-59.1-40.1172-71.1161.5-172.300111.7R452 A479 I487 N488 C493 L494 I495R452-E491 IonicContact NH1-OE2 3.34Å; A479-E491 WeakPolarHBondContact O-CG 3.46Å; I487-E491 WeakPolarHBondContact CA-OE2 3.44Å; I487-E491 HydrophobicContact CG2-CB 3.91Å; N488-E491 PolarHBondContact N-OE2 2.96Å; N488-E491 PolarHBondContact ND2-OE1 3.25Å; N488-E491 PolarHBondContact ND2-OE2 3.39Å; N488-E491 VanDerWaalsContact ND2-OE2 3.14Å; N488-E491 PolarHBondContact O-N 3.47Å; N488-E491 WeakPolarHBondContact OD1-CB 3.49Å; N488-E491 VanDerWaalsContact OD1-CG 3.32Å; N488-E491 WeakPolarHBondContact OD1-CG 3.4Å; N488-E491 PolarHBondContact OD1-N 3.01Å; E491-C493 VanDerWaalsContact C-N 3.31Å; E491-C493 PolarHBondContact O-N 3.01Å; E491-L494 WeakPolarHBondContact O-CB 3.32Å; E491-L494 PolarHBondContact O-N 3.23Å; E491-I495 WeakPolarHBondContact O-CG1 3.39Å; E491-I495 PolarHBondContact O-N 2.95Å
492Y86.6Confident81.2Confident6 Ų633.6 Ų33.62%0.02418%0.181CC..Hα-helixtrans-60.7-41.3173.9-177-96.4000112E442 F443 L446 V458 M461 I487 N488 D490 I495 K496E442-Y492 HydrophobicContact CB-CE1 4.29Å; F443-Y492 HydrophobicContact CB-CD1 3.8Å; F443-Y492 HydrophobicContact CB-CE1 4.13Å; F443-Y492 HydrophobicContact CB-CG 4.28Å; F443-Y492 VanDerWaalsContact CD2-CB 3.5Å; F443-Y492 AromaticContact CD2-CD1 3.95Å; F443-Y492 HydrophobicContact CD2-CD1 3.95Å; F443-Y492 AromaticContact CD2-CD2 3.94Å; F443-Y492 HydrophobicContact CD2-CD2 3.94Å; F443-Y492 AromaticContact CD2-CG 3.52Å; F443-Y492 HydrophobicContact CD2-CG 3.52Å; F443-Y492 HydrophobicContact CE2-CG 4.31Å; F443-Y492 HydrophobicContact CG-CD1 4.32Å; F443-Y492 HydrophobicContact CG-CG 4.32Å; L446-Y492 HydrophobicContact CD1-CD2 4.33Å; L446-Y492 HydrophobicContact CD1-CE2 3.69Å; V458-Y492 HydrophobicContact CG2-CD2 4.19Å; V458-Y492 HydrophobicContact CG2-CE2 4.4Å; M461-Y492 HydrophobicContact CE-CE2 4.02Å; I487-Y492 HydrophobicContact CG2-CD2 4.47Å; N488-Y492 WeakPolarHBondContact O-CB 3.31Å; N488-Y492 PolarHBondContact O-N 2.94Å; D490-Y492 VanDerWaalsContact C-N 3.28Å; D490-Y492 PolarHBondContact O-N 3.32Å; Y492-I495 PolarHBondContact O-N 2.93Å; Y492-K496 HydrophobicContact CD1-CG 4.35Å; Y492-K496 HydrophobicContact CE1-CG 3.94Å; Y492-K496 WeakPolarHBondContact O-CG 3.38Å; Y492-K496 PolarHBondContact O-N 3.39Å; Y492-K496 WeakPolarHBondContact OH-CE 3.35Å
493C86.3Confident81.4Confident0 Ų034.1 Ų34.10%019%0.187CC..Hα-helixtrans-65.3-39.7175.7-66.90000111.7W427 A434 E489 D490 E491 K496 F497W427-C493 HydrophobicContact CH2-CB 4.46Å; A434-C493 HydrophobicContact CB-CB 3.78Å; E489-C493 PolarHBondContact O-N 2.99Å; E489-C493 VanDerWaalsContact O-N 3.17Å; E489-C493 PolarHBondContact O-SG 3.28Å; D490-C493 WeakPolarHBondContact O-CA 3.21Å; D490-C493 WeakPolarHBondContact O-CB 3.43Å; D490-C493 PolarHBondContact O-N 3.5Å; E491-C493 VanDerWaalsContact C-N 3.31Å; E491-C493 PolarHBondContact O-N 3.01Å; C493-K496 PolarHBondContact O-N 3.37Å; C493-F497 WeakPolarHBondContact O-CB 3.5Å; C493-F497 PolarHBondContact O-N 3.2Å
494L85.7Confident81.5Confident0 Ų036.8 Ų36.80%019%0.185CC..Hα-helixtrans-62.8-44.8175.1-171.753.1000111.8F425 W427 A479 D490 E491 F497 L498 L512 P518F425-L494 HydrophobicContact CE2-CD1 4.22Å; F425-L494 HydrophobicContact CZ-CD1 4.43Å; W427-L494 HydrophobicContact CZ3-CB 3.97Å; W427-L494 HydrophobicContact CZ3-CD1 4.22Å; W427-L494 HydrophobicContact CZ3-CG 4.48Å; A479-L494 HydrophobicContact CB-CB 4.36Å; A479-L494 HydrophobicContact CB-CD2 4.12Å; A479-L494 HydrophobicContact CB-CG 4.29Å; D490-L494 PolarHBondContact O-N 2.97Å; E491-L494 WeakPolarHBondContact O-CB 3.32Å; E491-L494 PolarHBondContact O-N 3.23Å; L494-F497 WeakPolarHBondContact O-CB 3.23Å; L494-F497 PolarHBondContact O-N 3.47Å; L494-L498 HydrophobicContact CD1-CD1 4.36Å; L494-L498 HydrophobicContact CD1-CG 4.32Å; L494-L498 HydrophobicContact CG-CD1 4.19Å; L494-L498 WeakPolarHBondContact O-CB 3.45Å; L494-L498 WeakPolarHBondContact O-CG 3.31Å; L494-L498 PolarHBondContact O-N 3.37Å; L494-L512 HydrophobicContact CD1-CD1 4.21Å; L494-L512 HydrophobicContact CD2-CD1 3.52Å; L494-L512 HydrophobicContact CG-CD1 4.27Å; L494-P518 HydrophobicContact CD2-CG 4.41Å
495I88.1Confident80.8Confident1 Ų136.7 Ų36.71%0.00520%0.197CC..Hα-helixtrans-59.3-49.9176.5-70.9166.4000110.2V458 M461 M462 I475 A479 I487 E491 Y492 F497 L498 L499V458-I495 HydrophobicContact CG1-CD1 4.28Å; V458-I495 HydrophobicContact CG1-CG2 4.46Å; M461-I495 HydrophobicContact CE-CG2 4.16Å; M462-I495 HydrophobicContact CE-CG2 4.05Å; M462-I495 HydrophobicContact CG-CG2 4.09Å; M462-I495 HydrophobicContact SD-CG2 3.97Å; I475-I495 HydrophobicContact CG2-CB 4.29Å; I475-I495 HydrophobicContact CG2-CG1 4.22Å; I475-I495 HydrophobicContact CG2-CG2 4.02Å; A479-I495 HydrophobicContact CB-CD1 3.87Å; A479-I495 HydrophobicContact CB-CG1 3.34Å; I487-I495 HydrophobicContact CD1-CD1 3.23Å; I487-I495 HydrophobicContact CG1-CD1 3.99Å; I487-I495 HydrophobicContact CG2-CD1 4.27Å; E491-I495 WeakPolarHBondContact O-CG1 3.39Å; E491-I495 PolarHBondContact O-N 2.95Å; Y492-I495 PolarHBondContact O-N 2.93Å; I495-F497 VanDerWaalsContact C-N 3.29Å; I495-F497 PolarHBondContact O-N 3.05Å; I495-L498 PolarHBondContact O-N 3.22Å; I495-L499 HydrophobicContact CG2-CD1 3.81Å; I495-L499 HydrophobicContact CG2-CG 4.19Å; I495-L499 WeakPolarHBondContact O-CB 3.45Å; I495-L499 WeakPolarHBondContact O-CG 3.39Å; I495-L499 PolarHBondContact O-N 3.01Å
496K88.2Confident80.5Confident36 Ų3635 Ų3516%0.15719%0.186CC..Hα-helixtrans-59.9-39.5177.3-77.7-72-163.7174.10112.4W439 E442 M461 Y492 C493 K500W439-K496 HydrophobicContact CD2-CB 3.54Å; W439-K496 HydrophobicContact CD2-CG 4.17Å; W439-K496 HydrophobicContact CE3-CB 3.61Å; W439-K496 HydrophobicContact CG-CB 4.04Å; W439-K496 HydrophobicContact CG-CG 4.13Å; W439-K496 HydrophobicContact CH2-CB 4.27Å; W439-K496 HydrophobicContact CZ2-CB 4.16Å; W439-K496 HydrophobicContact CZ3-CB 4.01Å; E442-K496 WeakPolarHBondContact OE2-CE 3.47Å; E442-K496 IonicContact OE2-NZ 3.52Å; E442-K496 PolarHBondContact OE2-NZ 3.23Å; M461-K496 HydrophobicContact CE-CD 4.04Å; M461-K496 HydrophobicContact CE-CG 4.46Å; M461-K496 HydrophobicContact SD-CD 3.83Å; M461-K496 WeakPolarHBondContact SD-CE 3.4Å; M461-K496 PolarHBondContact SD-NZ 3.22Å; Y492-K496 HydrophobicContact CD1-CG 4.35Å; Y492-K496 HydrophobicContact CE1-CG 3.94Å; Y492-K496 WeakPolarHBondContact O-CG 3.38Å; Y492-K496 PolarHBondContact O-N 3.39Å; Y492-K496 WeakPolarHBondContact OH-CE 3.35Å; C493-K496 PolarHBondContact O-N 3.37Å; K496-K500 VanDerWaalsContact O-CB 3.31Å; K496-K500 WeakPolarHBondContact O-CB 3.4Å; K496-K500 PolarHBondContact O-N 2.94Å
497F84.8Confident79.7Confident17 Ų1732.5 Ų32.58%0.07518%0.175CC..Hα-helixtrans-63.1-49.5176.5-177.1-104.9000111.9F425 A429 A430 A433 W439 C493 L494 I495 K500 R501F425-F497 HydrophobicContact CB-CE1 4.43Å; F425-F497 HydrophobicContact CD1-CE1 4.2Å; F425-F497 HydrophobicContact CD2-CD1 4.27Å; F425-F497 AromaticContact CD2-CE1 3.45Å; F425-F497 HydrophobicContact CD2-CE1 3.45Å; F425-F497 VanDerWaalsContact CD2-CE1 3.45Å; F425-F497 HydrophobicContact CD2-CZ 4.16Å; F425-F497 HydrophobicContact CE1-CE1 4.31Å; F425-F497 AromaticContact CE2-CD1 3.96Å; F425-F497 HydrophobicContact CE2-CD1 3.96Å; F425-F497 AromaticContact CE2-CE1 3.57Å; F425-F497 HydrophobicContact CE2-CE1 3.57Å; F425-F497 AromaticContact CG-CE1 3.77Å; F425-F497 HydrophobicContact CG-CE1 3.77Å; F425-F497 HydrophobicContact CG-CZ 4.34Å; F425-F497 HydrophobicContact CZ-CD1 4.28Å; F425-F497 HydrophobicContact CZ-CE1 4.01Å; A429-F497 HydrophobicContact CB-CZ 4.25Å; A430-F497 HydrophobicContact CB-CB 4.17Å; A430-F497 HydrophobicContact CB-CD1 3.95Å; A430-F497 HydrophobicContact CB-CD2 4.15Å; A430-F497 HydrophobicContact CB-CE1 4.32Å; A430-F497 HydrophobicContact CB-CE2 4.49Å; A430-F497 HydrophobicContact CB-CG 3.83Å; A433-F497 HydrophobicContact CB-CD2 3.81Å; A433-F497 HydrophobicContact CB-CE2 4.11Å; W439-F497 HydrophobicContact CH2-CB 4.22Å; W439-F497 HydrophobicContact CH2-CD2 4.39Å; W439-F497 HydrophobicContact CZ3-CB 3.86Å; W439-F497 HydrophobicContact CZ3-CD2 4.4Å; C493-F497 WeakPolarHBondContact O-CB 3.5Å; C493-F497 PolarHBondContact O-N 3.2Å; L494-F497 WeakPolarHBondContact O-CB 3.23Å; L494-F497 PolarHBondContact O-N 3.47Å; I495-F497 VanDerWaalsContact C-N 3.29Å; I495-F497 PolarHBondContact O-N 3.05Å; F497-K500 PolarHBondContact O-N 2.89Å; F497-R501 HydrophobicContact CE1-CG 4.25Å; F497-R501 HydrophobicContact CZ-CG 4.28Å; F497-R501 WeakPolarHBondContact O-CB 3.26Å; F497-R501 WeakPolarHBondContact O-CG 3.39Å; F497-R501 PolarHBondContact O-N 3.16Å
498L85Confident78.8Confident3 Ų332.5 Ų32.52%0.01618%0.175CC..Hα-helixtrans-64.1-42.2178.1-70.5175.8000112F425 I475 L478 L494 I495 K500 R501 T502F425-L498 HydrophobicContact CE1-CD2 4.06Å; F425-L498 HydrophobicContact CZ-CD2 3.82Å; I475-L498 HydrophobicContact CD1-CB 4.47Å; I475-L498 HydrophobicContact CG1-CB 4.17Å; I475-L498 HydrophobicContact CG2-CB 3.87Å; I475-L498 HydrophobicContact CG2-CD1 4.15Å; L478-L498 HydrophobicContact CB-CD1 4.22Å; L494-L498 HydrophobicContact CD1-CD1 4.36Å; L494-L498 HydrophobicContact CD1-CG 4.32Å; L494-L498 HydrophobicContact CG-CD1 4.19Å; L494-L498 WeakPolarHBondContact O-CB 3.45Å; L494-L498 WeakPolarHBondContact O-CG 3.31Å; L494-L498 PolarHBondContact O-N 3.37Å; I495-L498 PolarHBondContact O-N 3.22Å; L498-K500 PolarHBondContact O-N 3.18Å; L498-R501 PolarHBondContact O-N 3.38Å; L498-T502 WeakPolarHBondContact O-CB 3.38Å; L498-T502 VanDerWaalsContact O-CG2 3.26Å; L498-T502 WeakPolarHBondContact O-CG2 3.4Å; L498-T502 PolarHBondContact O-N 3.44Å; L498-T502 PolarHBondContact O-OG1 3.07Å
499L83.9Confident77.8Confident9 Ų931.3 Ų31.35%0.04717%0.169CC..Hα-helixtrans-58.7-46.1173.3-74.8172.8000111.7M461 M462 L467 L472 I475 I495 T502 V503M461-L499 HydrophobicContact CE-CD1 3.84Å; M461-L499 HydrophobicContact SD-CD1 3.76Å; M462-L499 HydrophobicContact CE-CD2 4.43Å; M462-L499 HydrophobicContact CG-CD1 4.02Å; M462-L499 HydrophobicContact CG-CD2 4.45Å; L467-L499 HydrophobicContact CD1-CD2 3.69Å; L472-L499 HydrophobicContact CD2-CD2 3.7Å; I475-L499 HydrophobicContact CD1-CD2 3.71Å; I475-L499 HydrophobicContact CD1-CG 4.24Å; I495-L499 HydrophobicContact CG2-CD1 3.81Å; I495-L499 HydrophobicContact CG2-CG 4.19Å; I495-L499 WeakPolarHBondContact O-CB 3.45Å; I495-L499 WeakPolarHBondContact O-CG 3.39Å; I495-L499 PolarHBondContact O-N 3.01Å; L499-T502 VanDerWaalsContact C-OG1 3.28Å; L499-T502 VanDerWaalsContact CA-OG1 3.27Å; L499-T502 WeakPolarHBondContact CA-OG1 3.34Å; L499-T502 PolarHBondContact O-N 3.39Å; L499-T502 PolarHBondContact O-OG1 3.23Å; L499-V503 WeakPolarHBondContact O-CB 3.31Å; L499-V503 VanDerWaalsContact O-CG2 3.24Å; L499-V503 WeakPolarHBondContact O-CG2 3.38Å; L499-V503 PolarHBondContact O-N 3.5Å
500K82.4Confident76.6Confident71 Ų7133.4 Ų33.431%0.30918%0.182SC..Hα-helixtrans-65.5-46-179.7-174-179.4171.3-161.10111.1H437 W439 K496 F497 L498 T502 V503 E504H437-K500 PolarHBondContact CE1-NZ 3.16Å; H437-K500 PolarHBondContact NE2-NZ 3.42Å; W439-K500 HydrophobicContact CH2-CD 4.39Å; W439-K500 HydrophobicContact CZ2-CD 4.07Å; K496-K500 VanDerWaalsContact O-CB 3.31Å; K496-K500 WeakPolarHBondContact O-CB 3.4Å; K496-K500 PolarHBondContact O-N 2.94Å; F497-K500 PolarHBondContact O-N 2.89Å; L498-K500 PolarHBondContact O-N 3.18Å; K500-T502 VanDerWaalsContact C-N 3.31Å; K500-T502 PolarHBondContact O-N 2.92Å; K500-V503 PolarHBondContact O-N 3.11Å; K500-E504 WeakPolarHBondContact CE-OE1 3.4Å; K500-E504 IonicContact NZ-OE1 3.06Å; K500-E504 WeakPolarHBondContact O-CB 3.27Å; K500-E504 WeakPolarHBondContact O-CG 3.46Å; K500-E504 PolarHBondContact O-N 3.41Å
501R77.7Confident75.4Confident36 Ų3639.2 Ų39.214%0.13621%0.208CC..Hα-helixtrans-59-42.1177.7-78.5-168.677.1122.88.7112.2E423 F497 L498 E504 G505 H506E423-R501 IonicContact OE2-NH2 3.51Å; E423-R501 PolarHBondContact OE2-NH2 3.36Å; E423-R501 VanDerWaalsContact OE2-NH2 3.08Å; F497-R501 HydrophobicContact CE1-CG 4.25Å; F497-R501 HydrophobicContact CZ-CG 4.28Å; F497-R501 WeakPolarHBondContact O-CB 3.26Å; F497-R501 WeakPolarHBondContact O-CG 3.39Å; F497-R501 PolarHBondContact O-N 3.16Å; L498-R501 PolarHBondContact O-N 3.38Å; R501-E504 CarbonylContact O-C 3.27Å; R501-E504 PolarHBondContact O-N 3.37Å; R501-G505 PolarHBondContact O-N 3.18Å; R501-H506 HydrophobicContact CB-CB 4.13Å; R501-H506 WeakPolarHBondContact O-CB 3.36Å; R501-H506 PolarHBondContact O-N 3.45Å; R501-H506 PolarHBondContact O-ND1 2.86Å
502T71.5Confident74.6Confident9 Ų939.3 Ų39.36%0.05521%0.208CC..Hα-helixtrans-69.8-40.5179.542.60000113.3L467 M471 I475 L498 L499 K500 E504 G505 I508L467-T502 WeakPolarHBondContact CD1-OG1 3.14Å; M471-T502 HydrophobicContact CE-CG2 4.48Å; I475-T502 HydrophobicContact CD1-CG2 4.41Å; L498-T502 WeakPolarHBondContact O-CB 3.38Å; L498-T502 VanDerWaalsContact O-CG2 3.26Å; L498-T502 WeakPolarHBondContact O-CG2 3.4Å; L498-T502 PolarHBondContact O-N 3.44Å; L498-T502 PolarHBondContact O-OG1 3.07Å; L499-T502 VanDerWaalsContact C-OG1 3.28Å; L499-T502 VanDerWaalsContact CA-OG1 3.27Å; L499-T502 WeakPolarHBondContact CA-OG1 3.34Å; L499-T502 PolarHBondContact O-N 3.39Å; L499-T502 PolarHBondContact O-OG1 3.23Å; K500-T502 VanDerWaalsContact C-N 3.31Å; K500-T502 PolarHBondContact O-N 2.92Å; T502-E504 VanDerWaalsContact C-N 3.27Å; T502-E504 PolarHBondContact O-N 2.9Å; T502-G505 PolarHBondContact O-N 2.93Å; T502-I508 HydrophobicContact CG2-CD1 3.29Å; T502-I508 HydrophobicContact CG2-CG1 3.08Å
503V73.6Confident73.7Confident87 Ų8742.6 Ų42.653%0.52723%0.226SC..Hα-helixtrans-64-35.1172.3172.20000111.3L467 L499 K500 G505L467-V503 HydrophobicContact CD1-CG2 4.3Å; L467-V503 HydrophobicContact CD2-CG2 4.11Å; L467-V503 HydrophobicContact CG-CG2 4.18Å; L499-V503 WeakPolarHBondContact O-CB 3.31Å; L499-V503 VanDerWaalsContact O-CG2 3.24Å; L499-V503 WeakPolarHBondContact O-CG2 3.38Å; L499-V503 PolarHBondContact O-N 3.5Å; K500-V503 PolarHBondContact O-N 3.11Å; V503-G505 PolarHBondContact O-N 3.17Å
504E73.2Confident72.7Confident111 Ų11149.2 Ų49.252%0.51926%0.257SS..THydrogen-bonded Turntrans-74.7-1.9173.5-71.3174.9170.500113.7K500 R501 T502K500-E504 WeakPolarHBondContact CE-OE1 3.4Å; K500-E504 IonicContact NZ-OE1 3.06Å; K500-E504 WeakPolarHBondContact O-CB 3.27Å; K500-E504 WeakPolarHBondContact O-CG 3.46Å; K500-E504 PolarHBondContact O-N 3.41Å; R501-E504 CarbonylContact O-C 3.27Å; R501-E504 PolarHBondContact O-N 3.37Å; T502-E504 VanDerWaalsContact C-N 3.27Å; T502-E504 PolarHBondContact O-N 2.9Å
505G59.3Low71.8Confident55 Ų5556.3 Ų56.357%0.56728%0.284SS*.THydrogen-bonded Turntrans92.87.717500000115.8R501 T502 V503R501-G505 PolarHBondContact O-N 3.18Å; T502-G505 PolarHBondContact O-N 2.93Å; V503-G505 PolarHBondContact O-N 3.17Å
506H67.3Low71.1Confident68 Ų6856.4 Ų56.432%0.31529%0.285SS..PPolyproline II helixtrans-81.4159.1175.2-55.982.4000112E423 R501E423-H506 IonicContact OE2-CD2 3.44Å; R501-H506 HydrophobicContact CB-CB 4.13Å; R501-H506 WeakPolarHBondContact O-CB 3.36Å; R501-H506 PolarHBondContact O-N 3.45Å; R501-H506 PolarHBondContact O-ND1 2.86Å
507S61.9Low70.4Confident21 Ų2157.6 Ų57.615%0.14729%0.29CS..PPolyproline II helixtrans-78.5146.8179410000116.3T417 A420 S422T417-S507 CarbonylContact O-C 3.59Å; T417-S507 WeakPolarHBondContact O-CA 3.38Å; T417-S507 WeakPolarHBondContact O-CB 3.5Å; A420-S507 WeakPolarHBondContact O-CB 3.31Å; A420-S507 PolarHBondContact O-OG 2.99Å; S422-S507 WeakPolarHBondContact CA-OG 3.35Å
508I64.3Low69.5Low1 Ų157.8 Ų57.81%0.00529%0.293CS..PPolyproline II helixtrans-94.9128.6170.4-46-176.6000107.5T417 L418 Q474 I475 L478 T502T417-I508 PolarHBondContact O-N 3.06Å; L418-I508 CarbonylContact C-O 3.58Å; L418-I508 VanDerWaalsContact C-O 3.27Å; L418-I508 WeakPolarHBondContact CA-O 3.32Å; L418-I508 HydrophobicContact CD2-CB 3.69Å; L418-I508 HydrophobicContact CD2-CD1 3.37Å; L418-I508 HydrophobicContact CD2-CG1 3.73Å; L418-I508 HydrophobicContact CD2-CG2 4.47Å; Q474-I508 HydrophobicContact CG-CG2 4.33Å; I475-I508 HydrophobicContact CD1-CD1 3.87Å; I475-I508 HydrophobicContact CG1-CD1 3.57Å; L478-I508 HydrophobicContact CD1-CG2 3.18Å; T502-I508 HydrophobicContact CG2-CD1 3.29Å; T502-I508 HydrophobicContact CG2-CG1 3.08Å
509P61.5Low68.4Low11 Ų1161 Ų617%0.07131%0.314CS..PPolyproline II helixtrans-66.1154.1173-17.529.9000113.2F425 Q474 L478 E511 L512F425-P509 HydrophobicContact CE1-CG 4.32Å; Q474-P509 PolarHBondContact NE2-O 3.07Å; Q474-P509 VanDerWaalsContact NE2-O 3.07Å; L478-P509 VanDerWaalsContact CD1-O 3.23Å; L478-P509 WeakPolarHBondContact CD1-O 3.48Å; P509-E511 VanDerWaalsContact C-N 3.33Å; P509-E511 VanDerWaalsContact CB-O 3.31Å; P509-E511 WeakPolarHBondContact CB-O 3.45Å; P509-L512 HydrophobicContact CG-CD2 4.02Å
510D57.7Low66.9Low103 Ų10369 Ų6955%0.55134%0.344SS*.SBendtrans-68.2-35.3166.7-72.6-38000112Y419 L478Y419-D510 VanDerWaalsContact CE1-OD1 3.23Å; Y419-D510 WeakPolarHBondContact CE1-OD1 3.31Å; L478-D510 WeakPolarHBondContact CD2-O 3.26Å
511E59.1Low65.1Low168 Ų16872 Ų7279%0.78537%0.367SS*.SBendtrans-137.1134.8175.4-68.1-174.9169.200109.4P509P509-E511 VanDerWaalsContact C-N 3.33Å; P509-E511 VanDerWaalsContact CB-O 3.31Å; P509-E511 WeakPolarHBondContact CB-O 3.45Å
512L67.6Low63.3Low12 Ų1278.4 Ų78.46%0.06340%0.399CS..  trans-74.8126.7168.2-67.3-176.8000109.7F425 L478 L494 P509 A516 K517F425-L512 HydrophobicContact CE1-CD2 4.06Å; F425-L512 HydrophobicContact CZ-CD2 3.6Å; L478-L512 HydrophobicContact CB-CD1 4.16Å; L478-L512 HydrophobicContact CB-CG 4.17Å; L478-L512 HydrophobicContact CD2-CG 4.15Å; L478-L512 VanDerWaalsContact O-CD1 3.29Å; L478-L512 WeakPolarHBondContact O-CD1 3.32Å; L494-L512 HydrophobicContact CD1-CD1 4.21Å; L494-L512 HydrophobicContact CD2-CD1 3.52Å; L494-L512 HydrophobicContact CG-CD1 4.27Å; P509-L512 HydrophobicContact CG-CD2 4.02Å; L512-A516 HydrophobicContact CB-CB 4.17Å; L512-A516 HydrophobicContact CD2-CB 4.14Å; L512-K517 HydrophobicContact CB-CG 3.91Å; L512-K517 HydrophobicContact CD1-CG 4.38Å; L512-K517 WeakPolarHBondContact O-CE 3.44Å
513D69.3Low61.6Low75 Ų7581.1 Ų81.140%0.40142%0.415SS..  trans-58.1151.2167.1-165.7-1.3000109.6R515 A516D513-R515 PolarHBondContact O-N 2.87Å; D513-A516 WeakPolarHBondContact O-CB 3.43Å; D513-A516 PolarHBondContact O-N 3.41Å
514H64.9Low60Low139 Ų13980.9 Ų80.964%0.64442%0.417SS*.THydrogen-bonded Turntrans-53.6-25.2-179.769.1-73.2000113.5
515R66.8Low58.4Low149 Ų14985.2 Ų85.256%0.56243%0.429SS*.THydrogen-bonded Turntrans-77-25.8176.8-60.4-175.2176.4178.1-1.3113.9D426 W427 D513D426-R515 CarbonylContact C-O 3.6Å; D426-R515 WeakPolarHBondContact OD1-CB 3.44Å; D426-R515 WeakPolarHBondContact OD1-CD 3.43Å; W427-R515 VanDerWaalsContact CB-O 3.25Å; W427-R515 WeakPolarHBondContact CB-O 3.21Å; W427-R515 PolarHBondContact N-O 3.22Å; D513-R515 PolarHBondContact O-N 2.87Å
516A72.1Confident57.5Low3 Ų388 Ų883%0.02543%0.427CS..THydrogen-bonded Turntrans-84.5-14.6-179.600000112.6F425 L512 D513F425-A516 HydrophobicContact CD2-CB 4.03Å; F425-A516 HydrophobicContact CE2-CB 3.64Å; F425-A516 HydrophobicContact CZ-CB 3.97Å; F425-A516 WeakPolarHBondContact O-CB 3.48Å; L512-A516 HydrophobicContact CB-CB 4.17Å; L512-A516 HydrophobicContact CD2-CB 4.14Å; D513-A516 WeakPolarHBondContact O-CB 3.43Å; D513-A516 PolarHBondContact O-N 3.41Å
517K74.3Confident56.5Low62 Ų6288.6 Ų88.627%0.2744%0.438SS..SBendtrans-84.3150.2-179.8-65.4-173.9177.5-172.90111.9D481 L512D481-K517 WeakPolarHBondContact OD1-CE 3.43Å; D481-K517 IonicContact OD1-NZ 2.63Å; D481-K517 PolarHBondContact OD1-NZ 2.84Å; L512-K517 HydrophobicContact CB-CG 3.91Å; L512-K517 HydrophobicContact CD1-CG 4.38Å; L512-K517 WeakPolarHBondContact O-CE 3.44Å
518P67.1Low56Low21 Ų2193.5 Ų93.514%0.13646%0.462CS..  trans-55.5141.1168.4-19.629.1000111.1W427 D490 L494 R520W427-P518 HydrophobicContact CD2-CB 4.5Å; W427-P518 HydrophobicContact CE3-CB 4.4Å; W427-P518 HydrophobicContact CE3-CG 4.09Å; W427-P518 HydrophobicContact CH2-CB 4Å; W427-P518 HydrophobicContact CH2-CG 3.71Å; W427-P518 HydrophobicContact CZ2-CB 4.06Å; W427-P518 HydrophobicContact CZ2-CG 4.28Å; W427-P518 HydrophobicContact CZ3-CB 4.18Å; W427-P518 HydrophobicContact CZ3-CG 3.61Å; D490-P518 HydrophobicContact CB-CB 3.75Å; D490-P518 HydrophobicContact CB-CG 4.01Å; L494-P518 HydrophobicContact CD2-CG 4.41Å; P518-R520 PolarHBondContact O-N 2.94Å; P518-R520 VanDerWaalsContact O-N 3.11Å
519P61.9Low55.1Low71 Ų7196.8 Ų96.846%0.46148%0.477SS..  trans-64115.8173.923.6-29.8000110T521P519-T521 PolarHBondContact O-N 3.14Å
520R52Low55Low177 Ų177100.7 Ų100.767%0.66850%0.497SS*.  trans-49.7132.3176.2-69.7-177174.8-175.3-4.2110.3D481 P518D481-R520 IonicContact OD1-NH2 3.16Å; D481-R520 IonicContact OD2-CZ 3.76Å; D481-R520 VanDerWaalsContact OD2-CZ 3.29Å; D481-R520 IonicContact OD2-NE 2.82Å; D481-R520 PolarHBondContact OD2-NE 3.23Å; D481-R520 IonicContact OD2-NH2 3.51Å; D481-R520 PolarHBondContact OD2-NH2 2.96Å; P518-R520 PolarHBondContact O-N 2.94Å; P518-R520 VanDerWaalsContact O-N 3.11Å
521T43.3Very low55.2Low132 Ų13299 Ų9981%0.8149%0.486SS*.SBendtrans-26.6131.2-175.2450000115.8P519P519-T521 PolarHBondContact O-N 3.14Å
522H40.7Very low55.3Low172 Ų17296.6 Ų96.680%0.79647%0.469SS*.  trans8427.3172.2-81.7-72.3000120
523V36.5Very low54.9Low65 Ų6599.6 Ų99.639%0.39449%0.486SS..THydrogen-bonded Turntrans-97.517.8166.5-170.70000112.9R525 H526 C527V523-R525 PolarHBondContact O-N 3.14Å; V523-H526 HydrophobicContact CB-CB 4.47Å; V523-H526 HydrophobicContact CG1-CB 3.07Å; V523-H526 PolarHBondContact O-N 2.84Å; V523-C527 PolarHBondContact O-N 3.23Å
524S39.3Very low54.9Low82 Ų82102.9 Ų102.957%0.57349%0.492SS*.Hα-helixtrans-50.9-25.4155-54.20000110.6L528S524-L528 WeakPolarHBondContact O-CB 3.39Å; S524-L528 WeakPolarHBondContact O-CD1 3.36Å; S524-L528 WeakPolarHBondContact O-CG 3.18Å; S524-L528 PolarHBondContact O-N 2.84Å; S524-L528 VanDerWaalsContact O-N 3.15Å
525R39.9Very low55.1Low203 Ų203101.6 Ų101.677%0.76649%0.485SS*.Hα-helixtrans-67.6-48.7169.3-129.9-179.4-151.21545113.5V523 E529V523-R525 PolarHBondContact O-N 3.14Å; R525-E529 WeakPolarHBondContact O-CA 3.29Å; R525-E529 WeakPolarHBondContact O-CB 3.38Å; R525-E529 PolarHBondContact O-N 2.9Å
526H41Very low54.6Low113 Ų11399.6 Ų99.652%0.52348%0.483SS..Hα-helixtrans-75.9-32.8-176.5-168.5-93.9000113.1V523 E529 L530V523-H526 HydrophobicContact CB-CB 4.47Å; V523-H526 HydrophobicContact CG1-CB 3.07Å; V523-H526 PolarHBondContact O-N 2.84Å; H526-E529 CarbonylContact O-C 3.59Å; H526-E529 PolarHBondContact O-N 3.27Å; H526-L530 VanDerWaalsContact CE1-CD1 3.48Å; H526-L530 WeakPolarHBondContact CE1-CD1 3.3Å; H526-L530 VanDerWaalsContact ND1-CD1 3.35Å; H526-L530 WeakPolarHBondContact ND1-CD1 3.45Å; H526-L530 VanDerWaalsContact O-CB 3.27Å; H526-L530 WeakPolarHBondContact O-CB 3.37Å; H526-L530 WeakPolarHBondContact O-CG 3.35Å; H526-L530 PolarHBondContact O-N 3.26Å
527C46.2Very low54.1Low81 Ų81102.5 Ų102.555%0.54751%0.507SS..Hα-helixtrans-71.9-41.5173.8-72.70000111.3V523 E529 L530 E531V523-C527 PolarHBondContact O-N 3.23Å; C527-E529 VanDerWaalsContact C-N 3.27Å; C527-E529 PolarHBondContact O-N 3.5Å; C527-L530 PolarHBondContact O-N 2.85Å; C527-E531 WeakPolarHBondContact O-CB 3.18Å; C527-E531 PolarHBondContact O-N 3.47Å
528L49.8Very low53.7Low124 Ų124105.7 Ų105.765%0.64952%0.523SS*.Hα-helixtrans-66.8-30.4170.7-67.8171.1000111.7S524 R532S524-L528 WeakPolarHBondContact O-CB 3.39Å; S524-L528 WeakPolarHBondContact O-CD1 3.36Å; S524-L528 WeakPolarHBondContact O-CG 3.18Å; S524-L528 PolarHBondContact O-N 2.84Å; S524-L528 VanDerWaalsContact O-N 3.15Å; L528-R532 WeakPolarHBondContact O-CA 3.26Å; L528-R532 WeakPolarHBondContact O-CB 3.49Å; L528-R532 PolarHBondContact O-N 2.92Å
529E46.8Very low53.2Low69 Ų69111.2 Ų111.232%0.32255%0.551SS.*Hα-helixtrans-78.6-34.4178.1-168.6138.1-143.700111.4R525 H526 C527 R532 N533R525-E529 WeakPolarHBondContact O-CA 3.29Å; R525-E529 WeakPolarHBondContact O-CB 3.38Å; R525-E529 PolarHBondContact O-N 2.9Å; H526-E529 CarbonylContact O-C 3.59Å; H526-E529 PolarHBondContact O-N 3.27Å; C527-E529 VanDerWaalsContact C-N 3.27Å; C527-E529 PolarHBondContact O-N 3.5Å; E529-R532 IonicContact OE1-CZ 3.72Å; E529-R532 IonicContact OE1-NH1 3.27Å; E529-R532 IonicContact OE1-NH2 3.82Å; E529-R532 PolarHBondContact OE1-NH2 2.85Å; E529-N533 WeakPolarHBondContact O-CA 3.47Å; E529-N533 WeakPolarHBondContact O-CB 3.48Å; E529-N533 PolarHBondContact O-N 2.71Å; E529-N533 PolarHBondContact O-ND2 3.06Å; E529-N533 VanDerWaalsContact O-ND2 3.13Å; E529-N533 PolarHBondContact O-OD1 2.91Å
530L58.4Low52.4Low93 Ų93114.2 Ų114.249%0.48756%0.564SS.*Hα-helixtrans-66-44.8168.2-76.3174.7000110.9H526 C527 N533 R534H526-L530 VanDerWaalsContact CE1-CD1 3.48Å; H526-L530 WeakPolarHBondContact CE1-CD1 3.3Å; H526-L530 VanDerWaalsContact ND1-CD1 3.35Å; H526-L530 WeakPolarHBondContact ND1-CD1 3.45Å; H526-L530 VanDerWaalsContact O-CB 3.27Å; H526-L530 WeakPolarHBondContact O-CB 3.37Å; H526-L530 WeakPolarHBondContact O-CG 3.35Å; H526-L530 PolarHBondContact O-N 3.26Å; C527-L530 PolarHBondContact O-N 2.85Å; L530-N533 PolarHBondContact O-N 3.47Å; L530-R534 VanDerWaalsContact O-CB 3.28Å; L530-R534 WeakPolarHBondContact O-CB 3.44Å; L530-R534 PolarHBondContact O-N 3.47Å
531E61.7Low52Low69 Ų69110.3 Ų110.332%0.32256%0.561SS.*Hα-helixtrans-69.6-37.4177.5-16462.2-152.600111.4C527 R534 K535C527-E531 WeakPolarHBondContact O-CB 3.18Å; C527-E531 PolarHBondContact O-N 3.47Å; E531-R534 IonicContact OE1-CZ 3.66Å; E531-R534 IonicContact OE1-NE 3.76Å; E531-R534 IonicContact OE1-NH2 3.42Å; E531-R534 PolarHBondContact OE1-NH2 3.01Å; E531-R534 IonicContact OE2-CZ 2.97Å; E531-R534 IonicContact OE2-NE 2.67Å; E531-R534 IonicContact OE2-NH2 2.72Å; E531-K535 WeakPolarHBondContact O-CB 3.21Å; E531-K535 VanDerWaalsContact O-CG 3.28Å; E531-K535 WeakPolarHBondContact O-CG 3.47Å; E531-K535 PolarHBondContact O-N 3.23Å
532R62.2Low51.9Low116 Ų116110 Ų11044%0.43856%0.561SS.*Hα-helixtrans-66.9-41.9172.4-173.2-165.278.8-174.9-3.7110.8L528 E529 K535 M536L528-R532 WeakPolarHBondContact O-CA 3.26Å; L528-R532 WeakPolarHBondContact O-CB 3.49Å; L528-R532 PolarHBondContact O-N 2.92Å; E529-R532 IonicContact OE1-CZ 3.72Å; E529-R532 IonicContact OE1-NH1 3.27Å; E529-R532 IonicContact OE1-NH2 3.82Å; E529-R532 PolarHBondContact OE1-NH2 2.85Å; R532-K535 PolarHBondContact O-N 3.48Å; R532-M536 HydrophobicContact CG-CE 3.71Å; R532-M536 HydrophobicContact CG-CG 4.3Å; R532-M536 HydrophobicContact CG-SD 4.1Å; R532-M536 WeakPolarHBondContact O-CB 3.29Å; R532-M536 WeakPolarHBondContact O-CG 3.35Å; R532-M536 PolarHBondContact O-N 2.99Å
533N59.2Low51.9Low76 Ų76111.1 Ų111.141%0.40656%0.564SS.*Hα-helixtrans-69.5-35.7178.3-69-12.3000110.6E529 L530 M536 A537E529-N533 WeakPolarHBondContact O-CA 3.47Å; E529-N533 WeakPolarHBondContact O-CB 3.48Å; E529-N533 PolarHBondContact O-N 2.71Å; E529-N533 PolarHBondContact O-ND2 3.06Å; E529-N533 VanDerWaalsContact O-ND2 3.13Å; E529-N533 PolarHBondContact O-OD1 2.91Å; L530-N533 PolarHBondContact O-N 3.47Å; N533-M536 PolarHBondContact O-N 2.93Å; N533-A537 VanDerWaalsContact O-CB 3.23Å; N533-A537 WeakPolarHBondContact O-CB 3.25Å; N533-A537 PolarHBondContact O-N 2.89Å
534R69.8Low52Low143 Ų143113.7 Ų113.754%0.5459%0.585SS.*Hα-helixtrans-63.5-49.7171-165.3174.977.6165-1.6110.9L530 E531 M536 A537 E538L530-R534 VanDerWaalsContact O-CB 3.28Å; L530-R534 WeakPolarHBondContact O-CB 3.44Å; L530-R534 PolarHBondContact O-N 3.47Å; E531-R534 IonicContact OE1-CZ 3.66Å; E531-R534 IonicContact OE1-NE 3.76Å; E531-R534 IonicContact OE1-NH2 3.42Å; E531-R534 PolarHBondContact OE1-NH2 3.01Å; E531-R534 IonicContact OE2-CZ 2.97Å; E531-R534 IonicContact OE2-NE 2.67Å; E531-R534 IonicContact OE2-NH2 2.72Å; R534-M536 PolarHBondContact O-N 3.14Å; R534-A537 PolarHBondContact O-N 2.84Å; R534-E538 WeakPolarHBondContact O-CG 3.48Å; R534-E538 PolarHBondContact O-N 3.14Å
535K68Low51.7Low113 Ų113117.7 Ų117.749%0.49160%0.595SS.*Hα-helixtrans-66-32.3176.3-73177.2-179.9177.80113.5E531 R532 N539E531-K535 WeakPolarHBondContact O-CB 3.21Å; E531-K535 VanDerWaalsContact O-CG 3.28Å; E531-K535 WeakPolarHBondContact O-CG 3.47Å; E531-K535 PolarHBondContact O-N 3.23Å; R532-K535 PolarHBondContact O-N 3.48Å; K535-N539 VanDerWaalsContact O-CB 3.3Å; K535-N539 WeakPolarHBondContact O-CB 3.46Å; K535-N539 PolarHBondContact O-N 3.1Å; K535-N539 PolarHBondContact O-ND2 3.19Å
536M57.2Low51.6Low106 Ų106113.9 Ų113.952%0.52260%0.596SS.*Hα-helixtrans-72.2-39174-80-178.6177.700111.4R532 N533 R534 E538 N539 N540R532-M536 HydrophobicContact CG-CE 3.71Å; R532-M536 HydrophobicContact CG-CG 4.3Å; R532-M536 HydrophobicContact CG-SD 4.1Å; R532-M536 WeakPolarHBondContact O-CB 3.29Å; R532-M536 WeakPolarHBondContact O-CG 3.35Å; R532-M536 PolarHBondContact O-N 2.99Å; N533-M536 PolarHBondContact O-N 2.93Å; R534-M536 PolarHBondContact O-N 3.14Å; M536-E538 VanDerWaalsContact C-N 3.32Å; M536-N539 PolarHBondContact O-N 2.74Å; M536-N540 PolarHBondContact O-N 3.43Å
537A61.3Low51.3Low64 Ų64118.2 Ų118.253%0.52961%0.614SS.*Hα-helixtrans-66.2-34.8174.200000112N533 R534N533-A537 VanDerWaalsContact O-CB 3.23Å; N533-A537 WeakPolarHBondContact O-CB 3.25Å; N533-A537 PolarHBondContact O-N 2.89Å; R534-A537 PolarHBondContact O-N 2.84Å
538E65Low51Low130 Ų130119.2 Ų119.261%0.60762%0.619SS**Hα-helixtrans-70.7-40173.3-74171.2177.800112.6R534 M536R534-E538 WeakPolarHBondContact O-CG 3.48Å; R534-E538 PolarHBondContact O-N 3.14Å; M536-E538 VanDerWaalsContact C-N 3.32Å
539N56.4Low50Low136 Ų136124.2 Ų124.273%0.72763%0.63SS**Hα-helixtrans-87-15.6-176.8-75.9-26.4000114.8K535 M536K535-N539 VanDerWaalsContact O-CB 3.3Å; K535-N539 WeakPolarHBondContact O-CB 3.46Å; K535-N539 PolarHBondContact O-N 3.1Å; K535-N539 PolarHBondContact O-ND2 3.19Å; M536-N539 PolarHBondContact O-N 2.74Å
540N44.9Very low49.1Very low135 Ų135131.8 Ų131.872%0.72266%0.655SS**SBendtrans-139.581.8176.3-113.6-12.2000109.4M536M536-N540 PolarHBondContact O-N 3.43Å
541P44.2Very low47.9Very low95 Ų95135.4 Ų135.462%0.61767%0.668SS**PPolyproline II helixtrans-60.3133.917624.1-32.4000109.4K543P541-K543 PolarHBondContact O-N 3.03Å
542P41.2Very low46.5Very low124 Ų124139.9 Ų139.981%0.80569%0.688SS**PPolyproline II helixtrans-61.7123.6-176.321.8-30.5000110.4S544P542-S544 PolarHBondContact O-N 2.81Å
543K40.4Very low45Very low196 Ų196141.9 Ų141.985%0.85270%0.702SS**PPolyproline II helixtrans-60.2126168.8-74.2-179.5178.5177.30107.9P541 E545P541-K543 PolarHBondContact O-N 3.03Å; K543-E545 VanDerWaalsContact C-N 3.34Å; K543-E545 PolarHBondContact O-N 3.34Å
544S38.3Very low44Very low120 Ų120143 Ų14384%0.83971%0.708SS**  trans-64.888-179.556.70000110.8P542P542-S544 PolarHBondContact O-N 2.81Å
545E34.8Very low42.7Very low165 Ų165141.9 Ų141.977%0.77172%0.72SS**PPolyproline II helixtrans-97.7133.1161.4-75.6-173.3177.100109.4K543 F547K543-E545 VanDerWaalsContact C-N 3.34Å; K543-E545 PolarHBondContact O-N 3.34Å; E545-F547 PolarHBondContact O-N 2.88Å
546P37.1Very low41.1Very low123 Ų123147.1 Ų147.180%0.79974%0.736SS**PPolyproline II helixtrans-76.8121.7-167.8-6.724.3000110.6P548P546-P548 WeakPolarHBondContact O-CD 3.35Å
547F35Very low39.9Very low205 Ų205150.9 Ų150.990%0.89975%0.75SS**PPolyproline II helixtrans-62.4123175.9-91.1-92.5000111.5E545 W549E545-F547 PolarHBondContact O-N 2.88Å; F547-W549 PolarHBondContact O-N 2.85Å
548P39Very low38.5Very low102 Ų102158.2 Ų158.266%0.66276%0.764SS**  trans-99.284.1-176.535.4-27.5000109.9P546P546-P548 WeakPolarHBondContact O-CD 3.35Å
549W29.5Very low37.1Very low229 Ų229158 Ų15887%0.86777%0.767SS**  trans-164.488.3148.1-75.7112.8000107.9F547 F551F547-W549 PolarHBondContact O-N 2.85Å; W549-F551 HydrophobicContact CB-CD2 4.5Å; W549-F551 PolarHBondContact O-N 3.14Å; W549-F551 VanDerWaalsContact O-N 3.16Å
550R27.5Very low36Very low228 Ų228160.8 Ų160.886%0.8677%0.773SS**  trans-69.9101.1161.5-104-174.7-162.5-164.45.6107.2E552R550-E552 PolarHBondContact O-N 3.06Å
551F33.1Very low35.7Very low169 Ų169161.1 Ų161.174%0.74178%0.775SS**  trans-78.3101.3153.8-84.1-85.3000107.1W549 H553W549-F551 HydrophobicContact CB-CD2 4.5Å; W549-F551 PolarHBondContact O-N 3.14Å; W549-F551 VanDerWaalsContact O-N 3.16Å; F551-H553 PolarHBondContact O-N 2.75Å
552E32.5Very low35.6Very low163 Ų163167.7 Ų167.776%0.76279%0.787SS**  trans-67.776.6161.3-76.418016700108.6R550R550-E552 PolarHBondContact O-N 3.06Å
553H31.1Very low35.6Very low157 Ų157171.4 Ų171.473%0.72779%0.791SS**  trans-126.2100.7158.9-82.7-78.3000107.4F551 P555F551-H553 PolarHBondContact O-N 2.75Å; H553-P555 VanDerWaalsContact O-CD 3.28Å; H553-P555 WeakPolarHBondContact O-CD 3.22Å
554D38.5Very low36.4Very low99 Ų99167.6 Ų167.653%0.52978%0.776SS.*  trans-57115.5169.2-178-7.4000108.4R556 K557D554-R556 PolarHBondContact O-N 3.01Å; D554-R556 WeakPolarHBondContact OD1-CB 3.34Å; D554-R556 WeakPolarHBondContact OD1-CG 3.04Å; D554-R556 PolarHBondContact OD1-N 3.04Å; D554-R556 VanDerWaalsContact OD1-N 3.12Å; D554-K557 PolarHBondContact O-N 2.95Å
555P40.9Very low37.8Very low121 Ų121165.9 Ų165.979%0.78676%0.757SS**THydrogen-bonded Turntrans-662.6-177.425.1-32000113.9H553H553-P555 VanDerWaalsContact O-CD 3.28Å; H553-P555 WeakPolarHBondContact O-CD 3.22Å
556R36.1Very low39.4Very low222 Ų222162.8 Ų162.884%0.83875%0.752SS**THydrogen-bonded Turntrans-87.9-5.9176.3-61177-168-178.45.1114.6D554 W558D554-R556 PolarHBondContact O-N 3.01Å; D554-R556 WeakPolarHBondContact OD1-CB 3.34Å; D554-R556 WeakPolarHBondContact OD1-CG 3.04Å; D554-R556 PolarHBondContact OD1-N 3.04Å; D554-R556 VanDerWaalsContact OD1-N 3.12Å; R556-W558 PolarHBondContact O-N 2.72Å
557K30.3Very low40.8Very low186 Ų186162.8 Ų162.881%0.80974%0.741SS**  trans-98.471.4171.4-75-173.7177.1-178.60110.3D554 D559D554-K557 PolarHBondContact O-N 2.95Å; K557-D559 PolarHBondContact O-N 3.17Å
558W32.9Very low42.5Very low217 Ų217157.8 Ų157.882%0.82272%0.724SS**  trans-68.1116.5160.3-160.7-66.7000107.1R556 F560R556-W558 PolarHBondContact O-N 2.72Å; W558-F560 WeakPolarHBondContact O-CD2 3.32Å; W558-F560 PolarHBondContact O-N 2.67Å
559D34.5Very low44.3Very low126 Ų126156.2 Ų156.267%0.67471%0.709SS**  trans-67.2102.5-175.4-145.7-8000109.2K557 D561K557-D559 PolarHBondContact O-N 3.17Å; D559-D561 PolarHBondContact O-N 2.97Å
560F35Very low46.7Very low195 Ų195153 Ų15386%0.85570%0.697SS**THydrogen-bonded Turntrans-72.6-2-179.6-88.1-85.9000113.1W558 R562W558-F560 WeakPolarHBondContact O-CD2 3.32Å; W558-F560 PolarHBondContact O-N 2.67Å; F560-R562 PolarHBondContact O-N 2.94Å
561D37.9Very low48.9Very low142 Ų142147.5 Ų147.576%0.75968%0.682SS**THydrogen-bonded Turntrans-90.612.2-176.9-80.3-18.3000114.7D559 K563D559-D561 PolarHBondContact O-N 2.97Å; D561-K563 PolarHBondContact O-N 3.11Å
562R41.5Very low51.1Low232 Ų232147 Ų14788%0.87568%0.675SS**  trans-67.591.8159.4-86.1-169.4-177.4-178.72.1108.4F560 E564F560-R562 PolarHBondContact O-N 2.94Å; R562-E564 PolarHBondContact O-N 3.33Å
563K42.1Very low53.6Low203 Ų203145 Ų14588%0.88367%0.666SS**  trans-40.9112.7164.2-70.9-177.9177179.60108D561D561-K563 PolarHBondContact O-N 3.11Å
564E57.7Low56Low115 Ų115142.4 Ų142.454%0.53765%0.654SS.*  trans-52140.9175.4-89.4-176.5153.400109.3R562 I569 R572R562-E564 PolarHBondContact O-N 3.33Å; E564-I569 HydrophobicContact CB-CD1 4.06Å; E564-I569 HydrophobicContact CB-CG1 4.08Å; E564-R572 IonicContact OE1-NH1 2.75Å
565D67.8Low58.1Low84 Ų84141.3 Ų141.345%0.44965%0.651SS.*  trans-54122.4176.1-171.4-27.3000109.6E567 N568 I569D565-E567 PolarHBondContact O-N 3.11Å; D565-E567 VanDerWaalsContact O-N 3.11Å; D565-E567 PolarHBondContact OD1-N 2.99Å; D565-N568 HydrophobicContact CB-CB 4.3Å; D565-N568 WeakPolarHBondContact O-CB 3.28Å; D565-N568 PolarHBondContact O-N 3.05Å; D565-I569 PolarHBondContact O-N 3.04Å; D565-I569 VanDerWaalsContact O-N 3.17Å
566P68.5Low60Low100 Ų100141.6 Ų141.665%0.64964%0.64SS**Hα-helixtrans-57.3-24.9179.720.4-31000113.3R570P566-R570 WeakPolarHBondContact O-CB 2.9Å; P566-R570 PolarHBondContact O-N 3.26Å
567E65.8Low62.3Low124 Ų124135.6 Ų135.658%0.57962%0.624SS**Hα-helixtrans-67.7-40.9171.6-80.4-159142.900112.6D565 I569 R570 M571D565-E567 PolarHBondContact O-N 3.11Å; D565-E567 VanDerWaalsContact O-N 3.11Å; D565-E567 PolarHBondContact OD1-N 2.99Å; E567-I569 VanDerWaalsContact C-N 3.33Å; E567-I569 PolarHBondContact O-N 3.02Å; E567-R570 PolarHBondContact O-N 2.95Å; E567-M571 WeakPolarHBondContact O-CG 3.38Å; E567-M571 PolarHBondContact O-N 2.82Å
568N69.8Low64.7Low100 Ų100131.5 Ų131.554%0.53561%0.61SS.*Hα-helixtrans-65.8-37.3176.9-86.9-23.4000111.8D565 R572D565-N568 HydrophobicContact CB-CB 4.3Å; D565-N568 WeakPolarHBondContact O-CB 3.28Å; D565-N568 PolarHBondContact O-N 3.05Å; N568-R572 WeakPolarHBondContact O-CB 3.07Å; N568-R572 PolarHBondContact O-N 3.46Å
569I76.9Confident66.7Low68 Ų68126.2 Ų126.235%0.34960%0.598SS.*Hα-helixtrans-62.2-47.9173-61.1174.6000109.6E564 D565 E567 M571 R572 E573E564-I569 HydrophobicContact CB-CD1 4.06Å; E564-I569 HydrophobicContact CB-CG1 4.08Å; D565-I569 PolarHBondContact O-N 3.04Å; D565-I569 VanDerWaalsContact O-N 3.17Å; E567-I569 VanDerWaalsContact C-N 3.33Å; E567-I569 PolarHBondContact O-N 3.02Å; I569-M571 PolarHBondContact O-N 2.89Å; I569-R572 PolarHBondContact O-N 2.72Å; I569-E573 PolarHBondContact O-N 3.38Å
570R79.5Confident68.8Low161 Ų161127.3 Ų127.361%0.60859%0.592SS**Hα-helixtrans-61.5-43.7179.4-170.7-178.3-177.6-166.60.8112.6P566 E567 E573 Q574P566-R570 WeakPolarHBondContact O-CB 2.9Å; P566-R570 PolarHBondContact O-N 3.26Å; E567-R570 PolarHBondContact O-N 2.95Å; R570-E573 PolarHBondContact O-N 3.47Å; R570-Q574 WeakPolarHBondContact O-CB 3.27Å; R570-Q574 WeakPolarHBondContact O-CG 3.21Å; R570-Q574 PolarHBondContact O-N 2.82Å
571M73.7Confident71Confident113 Ų113120.4 Ų120.456%0.55757%0.569SS**Hα-helixtrans-64.3-39.9176.9-75.7-164.9-177.800111.8E567 I569 Q574 T575E567-M571 WeakPolarHBondContact O-CG 3.38Å; E567-M571 PolarHBondContact O-N 2.82Å; I569-M571 PolarHBondContact O-N 2.89Å; M571-Q574 PolarHBondContact O-N 3.15Å; M571-T575 WeakPolarHBondContact O-CB 3.28Å; M571-T575 PolarHBondContact O-N 2.72Å; M571-T575 PolarHBondContact O-OG1 3.44Å
572R80.6Confident72.7Confident160 Ų160117.5 Ų117.560%0.60455%0.552SS**Hα-helixtrans-64.1-41.3175.1-101.9179.4165.6172.2-1112.4E564 N568 I569 T575 K576E564-R572 IonicContact OE1-NH1 2.75Å; N568-R572 WeakPolarHBondContact O-CB 3.07Å; N568-R572 PolarHBondContact O-N 3.46Å; I569-R572 PolarHBondContact O-N 2.72Å; R572-T575 PolarHBondContact O-N 3.44Å; R572-K576 WeakPolarHBondContact O-CB 3.36Å; R572-K576 WeakPolarHBondContact O-CG 3.41Å; R572-K576 PolarHBondContact O-N 2.92Å
573E84.7Confident74.3Confident121 Ų121114.4 Ų114.457%0.56554%0.541SS*.Hα-helixtrans-65.8-46.3176.5-74-175.5161.900111.5I569 R570 T575 K576 D577I569-E573 PolarHBondContact O-N 3.38Å; R570-E573 PolarHBondContact O-N 3.47Å; E573-T575 VanDerWaalsContact C-N 3.3Å; E573-T575 PolarHBondContact O-N 3.37Å; E573-K576 PolarHBondContact O-N 3.31Å; E573-K576 VanDerWaalsContact O-N 3.15Å; E573-D577 PolarHBondContact O-N 3.35Å
574Q81.4Confident76Confident101 Ų101110.5 Ų110.547%0.47253%0.53SS..Hα-helixtrans-57.6-43.5174.3-76.7-178.8-22.900112R570 M571 D577 I578R570-Q574 WeakPolarHBondContact O-CB 3.27Å; R570-Q574 WeakPolarHBondContact O-CG 3.21Å; R570-Q574 PolarHBondContact O-N 2.82Å; M571-Q574 PolarHBondContact O-N 3.15Å; Q574-D577 PolarHBondContact O-N 3Å; Q574-I578 VanDerWaalsContact O-CG1 3.26Å; Q574-I578 WeakPolarHBondContact O-CG1 3.28Å; Q574-I578 PolarHBondContact O-N 2.72Å
575T81.6Confident76.7Confident77 Ų77115.1 Ų115.147%0.47254%0.542SS..Hα-helixtrans-64.4-41.9178-52.60000111.2M571 R572 E573 D577 I578 L579M571-T575 WeakPolarHBondContact O-CB 3.28Å; M571-T575 PolarHBondContact O-N 2.72Å; M571-T575 PolarHBondContact O-OG1 3.44Å; R572-T575 PolarHBondContact O-N 3.44Å; E573-T575 VanDerWaalsContact C-N 3.3Å; E573-T575 PolarHBondContact O-N 3.37Å; T575-D577 VanDerWaalsContact C-N 3.34Å; T575-D577 PolarHBondContact O-N 3.12Å; T575-I578 PolarHBondContact O-N 3.32Å; T575-L579 HydrophobicContact CG2-CD1 4.16Å; T575-L579 WeakPolarHBondContact O-CB 3.3Å; T575-L579 VanDerWaalsContact O-CG 3.27Å; T575-L579 WeakPolarHBondContact O-CG 3.38Å; T575-L579 PolarHBondContact O-N 3.43Å
576K82.7Confident76.4Confident127 Ų127118 Ų11855%0.55256%0.557SS**Hα-helixtrans-63.8-38176-79.6178.3179.4177.40112.4R572 E573 R580R572-K576 WeakPolarHBondContact O-CB 3.36Å; R572-K576 WeakPolarHBondContact O-CG 3.41Å; R572-K576 PolarHBondContact O-N 2.92Å; E573-K576 PolarHBondContact O-N 3.31Å; E573-K576 VanDerWaalsContact O-N 3.15Å; K576-R580 WeakPolarHBondContact O-CB 3.2Å; K576-R580 PolarHBondContact O-N 3.27Å
577D82.7Confident75.5Confident95 Ų95115.5 Ų115.551%0.50855%0.549SS..Hα-helixtrans-71.6-39.3178.4-75.8-10.7000111.9E573 Q574 T575 R580 S581E573-D577 PolarHBondContact O-N 3.35Å; Q574-D577 PolarHBondContact O-N 3Å; T575-D577 VanDerWaalsContact C-N 3.34Å; T575-D577 PolarHBondContact O-N 3.12Å; D577-R580 PolarHBondContact O-N 2.96Å; D577-R580 IonicContact OD1-NH2 2.68Å; D577-S581 WeakPolarHBondContact O-CB 3.2Å; D577-S581 PolarHBondContact O-N 2.77Å
578I80.6Confident74.5Confident100 Ų100115.8 Ų115.851%0.51356%0.555SS.*Hα-helixtrans-59.3-49.7172-69164.3000110Q574 T575 R580 S581 L582Q574-I578 VanDerWaalsContact O-CG1 3.26Å; Q574-I578 WeakPolarHBondContact O-CG1 3.28Å; Q574-I578 PolarHBondContact O-N 2.72Å; T575-I578 PolarHBondContact O-N 3.32Å; I578-R580 VanDerWaalsContact C-N 3.34Å; I578-R580 PolarHBondContact O-N 3.41Å; I578-S581 PolarHBondContact O-N 2.73Å; I578-S581 PolarHBondContact O-OG 2.88Å; I578-L582 HydrophobicContact CG2-CD1 3.91Å; I578-L582 WeakPolarHBondContact O-CG 2.94Å; I578-L582 PolarHBondContact O-N 2.86Å
579L76.6Confident73.3Confident107 Ų107114.6 Ų114.656%0.5657%0.566SS**Hα-helixtrans-62.9-37.8179-72.5172.1000112.7T575 L582 R583T575-L579 HydrophobicContact CG2-CD1 4.16Å; T575-L579 WeakPolarHBondContact O-CB 3.3Å; T575-L579 VanDerWaalsContact O-CG 3.27Å; T575-L579 WeakPolarHBondContact O-CG 3.38Å; T575-L579 PolarHBondContact O-N 3.43Å; L579-L582 PolarHBondContact O-N 3.21Å; L579-R583 WeakPolarHBondContact O-CB 3.33Å; L579-R583 PolarHBondContact O-N 3.48Å
580R78.8Confident71.5Confident148 Ų148124.5 Ų124.556%0.55861%0.607SS**Hα-helixtrans-65.6-45.1174.2-121-179.5-74.1170.22.9111.4K576 D577 I578 L582 R583 D584K576-R580 WeakPolarHBondContact O-CB 3.2Å; K576-R580 PolarHBondContact O-N 3.27Å; D577-R580 PolarHBondContact O-N 2.96Å; D577-R580 IonicContact OD1-NH2 2.68Å; I578-R580 VanDerWaalsContact C-N 3.34Å; I578-R580 PolarHBondContact O-N 3.41Å; R580-L582 PolarHBondContact O-N 2.7Å; R580-L582 VanDerWaalsContact C-N 3.26Å; R580-R583 PolarHBondContact O-N 2.89Å; R580-D584 PolarHBondContact O-N 2.67Å
581S79.8Confident71.1Confident51 Ų51122.7 Ų122.736%0.35761%0.607SS.*Hα-helixtrans-62.6-35.2176.788.40000112.4D577 I578 R585D577-S581 WeakPolarHBondContact O-CB 3.2Å; D577-S581 PolarHBondContact O-N 2.77Å; I578-S581 PolarHBondContact O-N 2.73Å; I578-S581 PolarHBondContact O-OG 2.88Å; S581-R585 WeakPolarHBondContact O-CB 3.39Å; S581-R585 WeakPolarHBondContact O-CG 3.23Å; S581-R585 PolarHBondContact O-N 3.16Å
582L74.6Confident71Confident80 Ų80123.2 Ų123.242%0.41961%0.609SS.*Hα-helixtrans-68.7-43.3175.5-76.3167.9000110.9I578 L579 R580 R585 L586I578-L582 HydrophobicContact CG2-CD1 3.91Å; I578-L582 WeakPolarHBondContact O-CG 2.94Å; I578-L582 PolarHBondContact O-N 2.86Å; L579-L582 PolarHBondContact O-N 3.21Å; R580-L582 PolarHBondContact O-N 2.7Å; R580-L582 VanDerWaalsContact C-N 3.26Å; L582-R585 PolarHBondContact O-N 3.13Å; L582-L586 VanDerWaalsContact O-CG 3.28Å; L582-L586 PolarHBondContact O-N 3.4Å; L582-L586 WeakPolarHBondContact O-CG 3.41Å; L582-L586 WeakPolarHBondContact O-CD1 3.44Å; L582-L586 WeakPolarHBondContact O-CB 3Å; L582-L586 VanDerWaalsContact O-CB 3.28Å
583R75.1Confident70.5Confident168 Ų168121.2 Ų121.263%0.63461%0.61SS**Hα-helixtrans-62.4-45.5175.2-178.4178.3-86-179.5-9111.7L579 R580 R585 L586 G587L579-R583 WeakPolarHBondContact O-CB 3.33Å; L579-R583 PolarHBondContact O-N 3.48Å; R580-R583 PolarHBondContact O-N 2.89Å; R583-R585 VanDerWaalsContact C-N 3.33Å; R583-R585 PolarHBondContact O-N 2.9Å; R583-L586 PolarHBondContact O-N 3.19Å; R583-G587 PolarHBondContact O-N 3.31Å; R583-G587 VanDerWaalsContact O-N 3.16Å
584D77.1Confident69.6Low121 Ų121121.2 Ų121.265%0.64761%0.612SS**Hα-helixtrans-64.6-37.4178.6-68.9-16.2000111.9R580 G587R580-D584 PolarHBondContact O-N 2.67Å; D584-G587 PolarHBondContact O-N 2.87Å
585R73.3Confident68.9Low211 Ų211122.4 Ų122.480%0.79662%0.621SS**Hα-helixtrans-70.2-34.1174.7-78177.6-178-163.32.3113.2S581 L582 R583 G587S581-R585 WeakPolarHBondContact O-CB 3.39Å; S581-R585 WeakPolarHBondContact O-CG 3.23Å; S581-R585 PolarHBondContact O-N 3.16Å; L582-R585 PolarHBondContact O-N 3.13Å; R583-R585 VanDerWaalsContact C-N 3.33Å; R583-R585 PolarHBondContact O-N 2.9Å; R585-G587 PolarHBondContact O-N 3.34Å
586L59.6Low68Low145 Ų145125.5 Ų125.576%0.75963%0.631SS**Hα-helixtrans-79.9-6.9-179.8-76.2164.2000112.8L582 R583L582-L586 VanDerWaalsContact O-CG 3.28Å; L582-L586 PolarHBondContact O-N 3.4Å; L582-L586 WeakPolarHBondContact O-CG 3.41Å; L582-L586 WeakPolarHBondContact O-CD1 3.44Å; L582-L586 WeakPolarHBondContact O-CB 3Å; L582-L586 VanDerWaalsContact O-CB 3.28Å; R583-L586 PolarHBondContact O-N 3.19Å
587G49.8Very low67Low47 Ų47125.4 Ų125.449%0.48564%0.636SS.*  trans66.3119.3176.700000111R583 D584 R585 G589R583-G587 PolarHBondContact O-N 3.31Å; R583-G587 VanDerWaalsContact O-N 3.16Å; D584-G587 PolarHBondContact O-N 2.87Å; R585-G587 PolarHBondContact O-N 3.34Å; G587-G589 PolarHBondContact O-N 3.35Å
588D45.5Very low65.8Low131 Ų131127.7 Ų127.770%0.70165%0.646SS**  trans-63.787.2164.4-78-26.9000108.3K590D588-K590 PolarHBondContact O-N 3.44Å
589G44.1Very low64.5Low75 Ų75130 Ų13077%0.77366%0.657SS**  trans-61.6102.8161.700000107.4G587G587-G589 PolarHBondContact O-N 3.35Å
590K40.2Very low63.5Low276 Ų276132.1 Ų132.1100%1.267%0.666SS**  trans-44.90167.9-73.9-179.8174.2178.40113.2D588D588-K590 PolarHBondContact O-N 3.44Å

Retrieved 590 of 590 residues in 509.1 ms (Link to these results)

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